smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)Cc1ccnc(N2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001164416296 718888586 /nfs/dbraw/zinc/88/85/86/718888586.db2.gz CWUYWAIETMJAKI-DGCLKSJQSA-N 1 3 232.331 0.681 20 0 BCADHO O=C(CC[NH2+]C1CC1)N1CCN2CCC1CC2 ZINC000572377803 398137376 /nfs/dbraw/zinc/13/73/76/398137376.db2.gz OGWMQWPZLFHFER-UHFFFAOYSA-N 1 3 237.347 0.435 20 0 BCADHO C[C@H](CNC[C@H](C)O)C[NH+]1CCCC1 ZINC000062071240 349437482 /nfs/dbraw/zinc/43/74/82/349437482.db2.gz QNLCOZZPVGXVTB-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO C[C@H](C[NH2+]C[C@H](C)O)CN1CCCC1 ZINC000062071240 349437485 /nfs/dbraw/zinc/43/74/85/349437485.db2.gz QNLCOZZPVGXVTB-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CCN(C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000159589584 136214452 /nfs/dbraw/zinc/21/44/52/136214452.db2.gz DZUIRTJYRHREEY-GFCCVEGCSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973593 349503185 /nfs/dbraw/zinc/50/31/85/349503185.db2.gz KVJZQFDVRQZVMI-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO O=C(CNC1CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973210 349503316 /nfs/dbraw/zinc/50/33/16/349503316.db2.gz KDOZPDXZIHJENL-LBPRGKRZSA-N 1 3 237.347 0.435 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1C ZINC000649333343 398149642 /nfs/dbraw/zinc/14/96/42/398149642.db2.gz NQNHGZLCUPKNKP-JCIQBVFBSA-N 1 3 237.347 0.051 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000390006172 398155479 /nfs/dbraw/zinc/15/54/79/398155479.db2.gz WUBGLXCEDPOEAA-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000649341524 398157567 /nfs/dbraw/zinc/15/75/67/398157567.db2.gz DKZSJFLXDQPWSM-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366493853 398167682 /nfs/dbraw/zinc/16/76/82/398167682.db2.gz BDPVJKYQXLQYDU-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426299 398170934 /nfs/dbraw/zinc/17/09/34/398170934.db2.gz RTMFUZLECVXXPJ-VXGBXAGGSA-N 1 3 242.363 0.635 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCC2(CO)CCOCC2)C1 ZINC000563426299 398170937 /nfs/dbraw/zinc/17/09/37/398170937.db2.gz RTMFUZLECVXXPJ-VXGBXAGGSA-N 1 3 242.363 0.635 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348653 398162585 /nfs/dbraw/zinc/16/25/85/398162585.db2.gz PXGIMJUDZMXHSG-NELYUFSOSA-N 1 3 249.358 0.336 20 0 BCADHO COC[C@@H](C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000379763098 398165101 /nfs/dbraw/zinc/16/51/01/398165101.db2.gz FYFGWEKNOUFXIW-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000336746188 398187807 /nfs/dbraw/zinc/18/78/07/398187807.db2.gz RECZLESZQVFPKN-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C[C@H](C)O)C(C)C ZINC000576237579 365533471 /nfs/dbraw/zinc/53/34/71/365533471.db2.gz CJVPJQNPJKQXPZ-RYUDHWBXSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C[C@H](C)O)C(C)C ZINC000576237579 365533481 /nfs/dbraw/zinc/53/34/81/365533481.db2.gz CJVPJQNPJKQXPZ-RYUDHWBXSA-N 1 3 232.368 0.390 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)N1CCCC1 ZINC000164695547 398203007 /nfs/dbraw/zinc/20/30/07/398203007.db2.gz WVVTYOGFACUQMT-MNOVXSKESA-N 1 3 239.363 0.442 20 0 BCADHO c1cc(N2CCN(C[C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000649414824 398218381 /nfs/dbraw/zinc/21/83/81/398218381.db2.gz ZQFMWCBWUWBTMF-CYBMUJFWSA-N 1 3 246.358 0.813 20 0 BCADHO Cn1cc(C[C@H]2CCN(CCC[NH3+])C2)cn1 ZINC000649414262 398212915 /nfs/dbraw/zinc/21/29/15/398212915.db2.gz OZLONYFVTRONBL-LLVKDONJSA-N 1 3 222.336 0.633 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000576411358 365589525 /nfs/dbraw/zinc/58/95/25/365589525.db2.gz DVGOOVIVNVHUHG-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000576411358 365589529 /nfs/dbraw/zinc/58/95/29/365589529.db2.gz DVGOOVIVNVHUHG-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H](CN[C@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563907 398227601 /nfs/dbraw/zinc/22/76/01/398227601.db2.gz XYRDOUNNWFLZOS-GXSJLCMTSA-N 1 3 248.392 0.384 20 0 BCADHO N[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389018 192031802 /nfs/dbraw/zinc/03/18/02/192031802.db2.gz SXDPJBUYOAXKGE-NEPJUHHUSA-N 1 3 248.330 0.348 20 0 BCADHO N[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389021 192031904 /nfs/dbraw/zinc/03/19/04/192031904.db2.gz SXDPJBUYOAXKGE-VXGBXAGGSA-N 1 3 248.330 0.348 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000381266392 398242186 /nfs/dbraw/zinc/24/21/86/398242186.db2.gz UGACKZJWHLSCOT-KXUCPTDWSA-N 1 3 213.325 0.165 20 0 BCADHO CN(CC(=O)NC(C)(C)C)CC1CC[NH2+]CC1 ZINC000094024300 398244057 /nfs/dbraw/zinc/24/40/57/398244057.db2.gz JKWSWPNPJWHKIN-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000576519721 365616155 /nfs/dbraw/zinc/61/61/55/365616155.db2.gz FXNYITFFBMHSPI-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000576519721 365616161 /nfs/dbraw/zinc/61/61/61/365616161.db2.gz FXNYITFFBMHSPI-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000669528889 488176602 /nfs/dbraw/zinc/17/66/02/488176602.db2.gz PPVRYQHALLWSKT-QXEWZRGKSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)C1CCN(C)CC1 ZINC000069838817 398248991 /nfs/dbraw/zinc/24/89/91/398248991.db2.gz ZIUZUJSECMTCOG-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CN(C)CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418432354 192037682 /nfs/dbraw/zinc/03/76/82/192037682.db2.gz UFNJHTUDHDCPRH-MNOVXSKESA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N(C)CCN(C)C1CC1 ZINC000418461958 192038085 /nfs/dbraw/zinc/03/80/85/192038085.db2.gz AXQTWYRMVKPSKG-SNVBAGLBSA-N 1 3 242.367 0.317 20 0 BCADHO CCOC[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000381603459 398254287 /nfs/dbraw/zinc/25/42/87/398254287.db2.gz OVTDLFWDNXOODW-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO Cc1c[nH+]ccc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580903393 398250863 /nfs/dbraw/zinc/25/08/63/398250863.db2.gz SRGJKTJSCFBJQU-QWRGUYRKSA-N 1 3 246.314 0.138 20 0 BCADHO CO[C@@H](C[NH3+])CC(=O)Nc1ccc2c(c1)CNC2 ZINC000576635881 365645241 /nfs/dbraw/zinc/64/52/41/365645241.db2.gz ICHLBZJKVCLLIJ-GFCCVEGCSA-N 1 3 249.314 0.592 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000381462477 398258753 /nfs/dbraw/zinc/25/87/53/398258753.db2.gz LMYAIIPLTZEFNI-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(N)C(F)(F)F ZINC000576756648 365671982 /nfs/dbraw/zinc/67/19/82/365671982.db2.gz OHEZHYFZFIBZER-KVQBGUIXSA-N 1 3 227.230 0.118 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC1 ZINC000576754672 365676901 /nfs/dbraw/zinc/67/69/01/365676901.db2.gz XINOWZMMSROOLS-IUCAKERBSA-N 1 3 211.309 0.111 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)NCCN(C)C ZINC000418477523 192039670 /nfs/dbraw/zinc/03/96/70/192039670.db2.gz XXINIISAVSQIKX-JTQLQIEISA-N 1 3 230.356 0.365 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000130530314 398269206 /nfs/dbraw/zinc/26/92/06/398269206.db2.gz NOBNJLNNGAMAKA-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](CN)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733055 398270579 /nfs/dbraw/zinc/27/05/79/398270579.db2.gz NTSRJYXNEXFIHM-VIFPVBQESA-N 1 3 209.293 0.164 20 0 BCADHO C[C@@H](CN)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733055 398270583 /nfs/dbraw/zinc/27/05/83/398270583.db2.gz NTSRJYXNEXFIHM-VIFPVBQESA-N 1 3 209.293 0.164 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[NH3+] ZINC000669530089 488178710 /nfs/dbraw/zinc/17/87/10/488178710.db2.gz PXOOEESUAYKJHY-LLVKDONJSA-N 1 3 242.367 0.509 20 0 BCADHO O[C@@H](CN[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000166813943 361858223 /nfs/dbraw/zinc/85/82/23/361858223.db2.gz UXLPJMGKDSMZBV-MNOVXSKESA-N 1 3 230.377 0.538 20 0 BCADHO [NH3+]CCCN1CCNC[C@H]1c1ccccc1 ZINC000165684228 361844711 /nfs/dbraw/zinc/84/47/11/361844711.db2.gz XDCAMHRLQYZENI-ZDUSSCGKSA-N 1 3 219.332 0.982 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418496531 192042450 /nfs/dbraw/zinc/04/24/50/192042450.db2.gz VKFSXLJWSATHSC-MNOVXSKESA-N 1 3 242.367 0.317 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517742430 342746036 /nfs/dbraw/zinc/74/60/36/342746036.db2.gz DZAVOMHXKHOWIH-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO Cc1cc(NCCN2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680781 342818610 /nfs/dbraw/zinc/81/86/10/342818610.db2.gz MJQFWWKVBSWFGS-GFCCVEGCSA-N 1 3 221.304 0.290 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000335464743 398289782 /nfs/dbraw/zinc/28/97/82/398289782.db2.gz METUWCLVXVMRKB-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1C ZINC000335464743 398289785 /nfs/dbraw/zinc/28/97/85/398289785.db2.gz METUWCLVXVMRKB-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164350 398294116 /nfs/dbraw/zinc/29/41/16/398294116.db2.gz WVTWMOCBLLQVCN-FGNRJIRKSA-N 1 3 239.363 0.855 20 0 BCADHO CC[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164350 398294118 /nfs/dbraw/zinc/29/41/18/398294118.db2.gz WVTWMOCBLLQVCN-FGNRJIRKSA-N 1 3 239.363 0.855 20 0 BCADHO CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322363034 488182719 /nfs/dbraw/zinc/18/27/19/488182719.db2.gz BSZQWOYYFYUDIJ-GYIHNLGQSA-N 1 3 225.336 0.465 20 0 BCADHO CC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322363034 488182723 /nfs/dbraw/zinc/18/27/23/488182723.db2.gz BSZQWOYYFYUDIJ-GYIHNLGQSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418527100 192047547 /nfs/dbraw/zinc/04/75/47/192047547.db2.gz NPBGJOQCVFKQFX-OPRDCNLKSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418527097 192047564 /nfs/dbraw/zinc/04/75/64/192047564.db2.gz NPBGJOQCVFKQFX-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000417883466 398299197 /nfs/dbraw/zinc/29/91/97/398299197.db2.gz WKNQLZXQSGSYFI-GXSJLCMTSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000300359271 259326978 /nfs/dbraw/zinc/32/69/78/259326978.db2.gz IIQVLAGHDAFYGW-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132945606 398309929 /nfs/dbraw/zinc/30/99/29/398309929.db2.gz HOZUDCICINUDKJ-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132945606 398309931 /nfs/dbraw/zinc/30/99/31/398309931.db2.gz HOZUDCICINUDKJ-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1NCCN(C(=O)CC[NH2+]C2CC2)[C@@H]1C ZINC000584004268 342899975 /nfs/dbraw/zinc/89/99/75/342899975.db2.gz FYWJJVNSEBMPJW-NXEZZACHSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](CNC(=O)C[NH2+]CC1CC1)N(C)C1CC1 ZINC000167339724 136245468 /nfs/dbraw/zinc/24/54/68/136245468.db2.gz ALRLVBSBMRAOPZ-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)N1CCCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418556563 192050287 /nfs/dbraw/zinc/05/02/87/192050287.db2.gz AOEYGZXBPTYHDF-NSHDSACASA-N 1 3 242.367 0.459 20 0 BCADHO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)N)CC1 ZINC000036135358 342893101 /nfs/dbraw/zinc/89/31/01/342893101.db2.gz BTMHZRRFMOXLFZ-SECBINFHSA-N 1 3 213.325 0.276 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000351474769 136245934 /nfs/dbraw/zinc/24/59/34/136245934.db2.gz GRZDOUNXLITWFK-GWNIPJSYSA-N 1 3 249.358 0.419 20 0 BCADHO C[C@@]1(CNC(=O)C2(N)CCCC2)CCC[NH2+]C1 ZINC000336597453 398322964 /nfs/dbraw/zinc/32/29/64/398322964.db2.gz WVJCMWVYBXTLNN-GFCCVEGCSA-N 1 3 239.363 0.764 20 0 BCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)N ZINC000036999082 342915093 /nfs/dbraw/zinc/91/50/93/342915093.db2.gz PIRKIVSQAIRCTO-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023801 342916336 /nfs/dbraw/zinc/91/63/36/342916336.db2.gz SZPAPAYGOCOIHD-IVZWLZJFSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023801 342916337 /nfs/dbraw/zinc/91/63/37/342916337.db2.gz SZPAPAYGOCOIHD-IVZWLZJFSA-N 1 3 211.309 0.077 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NCCN(C)C ZINC000037481169 342938055 /nfs/dbraw/zinc/93/80/55/342938055.db2.gz NLIDAHSZGVWGRO-JTQLQIEISA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[NH2+]CC1 ZINC000040460107 259332058 /nfs/dbraw/zinc/33/20/58/259332058.db2.gz BVDCOYSKJXVCHI-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000168604106 398341271 /nfs/dbraw/zinc/34/12/71/398341271.db2.gz MPLMZYULSWCRKR-VHSXEESVSA-N 1 3 200.326 0.722 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351770213 136253180 /nfs/dbraw/zinc/25/31/80/136253180.db2.gz NMNSMVAJJAAQKI-MNOVXSKESA-N 1 3 227.352 0.522 20 0 BCADHO CSC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000580314452 346897016 /nfs/dbraw/zinc/89/70/16/346897016.db2.gz SQMSBNYJMSNCSP-ZYHUDNBSSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000580314452 346897019 /nfs/dbraw/zinc/89/70/19/346897019.db2.gz SQMSBNYJMSNCSP-ZYHUDNBSSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000580314452 346897022 /nfs/dbraw/zinc/89/70/22/346897022.db2.gz SQMSBNYJMSNCSP-ZYHUDNBSSA-N 1 3 244.404 0.784 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351770214 136253225 /nfs/dbraw/zinc/25/32/25/136253225.db2.gz NMNSMVAJJAAQKI-QWRGUYRKSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351770211 136253228 /nfs/dbraw/zinc/25/32/28/136253228.db2.gz NMNSMVAJJAAQKI-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)N(C)C ZINC000353448432 187208776 /nfs/dbraw/zinc/20/87/76/187208776.db2.gz MMHVKVJEOWMQER-WOPDTQHZSA-N 1 3 241.379 0.687 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)CNC2CC2)CC1 ZINC000518179738 259338288 /nfs/dbraw/zinc/33/82/88/259338288.db2.gz DBZIAFAWLHPLHM-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CO[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@H]1C ZINC000299903443 488194157 /nfs/dbraw/zinc/19/41/57/488194157.db2.gz DTNMGZYMBZRQCI-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373054360 187223089 /nfs/dbraw/zinc/22/30/89/187223089.db2.gz VSDPKSBJGHDNJE-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](O)[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000576823098 365695208 /nfs/dbraw/zinc/69/52/08/365695208.db2.gz NNVYWJDSEFXOBT-JQWIXIFHSA-N 1 3 228.336 0.068 20 0 BCADHO CC[C@@](C)(N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584880931 343081505 /nfs/dbraw/zinc/08/15/05/343081505.db2.gz BEKQRQFSQISPAF-PSASIEDQSA-N 1 3 209.297 0.396 20 0 BCADHO CNC(=O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000398309988 343118005 /nfs/dbraw/zinc/11/80/05/343118005.db2.gz XHDGAHLFBDFAAK-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO CC[NH2+]Cc1ccccc1NC(=O)CNC ZINC000237045437 343122069 /nfs/dbraw/zinc/12/20/69/343122069.db2.gz UHOHLASZMRFWFQ-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236888778 343113845 /nfs/dbraw/zinc/11/38/45/343113845.db2.gz BFWNHEJYUSAWNA-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000237125231 343126831 /nfs/dbraw/zinc/12/68/31/343126831.db2.gz YGURNYYKGSRVQT-UWVGGRQHSA-N 1 3 245.392 0.053 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237212835 343131063 /nfs/dbraw/zinc/13/10/63/343131063.db2.gz IZUZUEIURVTPOD-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCCCC1 ZINC000092956242 343149718 /nfs/dbraw/zinc/14/97/18/343149718.db2.gz HTCKKOVSIDOEPS-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+]CCCCNC(=O)c1ccc2c(c1)CNC2 ZINC000131126540 343182490 /nfs/dbraw/zinc/18/24/90/343182490.db2.gz ZTLILDNYLJRMJI-UHFFFAOYSA-N 1 3 233.315 0.759 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCCCC[NH3+] ZINC000576942144 365728485 /nfs/dbraw/zinc/72/84/85/365728485.db2.gz XXCNXCIZVACDEG-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000129080916 343176185 /nfs/dbraw/zinc/17/61/85/343176185.db2.gz XPYQBTPMGIMFMN-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000129080916 343176188 /nfs/dbraw/zinc/17/61/88/343176188.db2.gz XPYQBTPMGIMFMN-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO NC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCC1 ZINC000148271072 343195916 /nfs/dbraw/zinc/19/59/16/343195916.db2.gz SQINGTHWGPOOME-NSHDSACASA-N 1 3 237.347 0.565 20 0 BCADHO C[C@H](CNC(=O)C[NH2+]CC1CC1)N1CCCC1 ZINC000161051095 343203927 /nfs/dbraw/zinc/20/39/27/343203927.db2.gz IIKKXGGJSNUQEH-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000163553490 343206865 /nfs/dbraw/zinc/20/68/65/343206865.db2.gz ZTRNBBWYRMZPQO-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000163553490 343206866 /nfs/dbraw/zinc/20/68/66/343206866.db2.gz ZTRNBBWYRMZPQO-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569727843 323039054 /nfs/dbraw/zinc/03/90/54/323039054.db2.gz UVVJLZQVQLDAPO-UWVGGRQHSA-N 1 3 215.341 0.569 20 0 BCADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000043588269 343225393 /nfs/dbraw/zinc/22/53/93/343225393.db2.gz GGJZWAXVZRGFBU-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO CNCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091217 136284383 /nfs/dbraw/zinc/28/43/83/136284383.db2.gz SXHIALZJKHAQMU-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091217 136284384 /nfs/dbraw/zinc/28/43/84/136284384.db2.gz SXHIALZJKHAQMU-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO C[N@@H+](Cc1cccc2ncccc12)C[C@H](O)CN ZINC000634687863 343245104 /nfs/dbraw/zinc/24/51/04/343245104.db2.gz BLNHRKVNPZYALG-GFCCVEGCSA-N 1 3 245.326 0.986 20 0 BCADHO C[N@H+](Cc1cccc2ncccc12)C[C@H](O)CN ZINC000634687863 343245106 /nfs/dbraw/zinc/24/51/06/343245106.db2.gz BLNHRKVNPZYALG-GFCCVEGCSA-N 1 3 245.326 0.986 20 0 BCADHO C[C@H]1CC[C@H](C[NH2+]C2(CO)CCNCC2)O1 ZINC000634688312 343247159 /nfs/dbraw/zinc/24/71/59/343247159.db2.gz PBLYUSRGQZSHNI-WDEREUQCSA-N 1 3 228.336 0.258 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418703081 192062532 /nfs/dbraw/zinc/06/25/32/192062532.db2.gz BENWIVWUXIQQKN-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO Cc1nccn1CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000348750801 136296838 /nfs/dbraw/zinc/29/68/38/136296838.db2.gz PTOJJDSSTAGJJQ-CHWSQXEVSA-N 1 3 234.347 0.733 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC1CCN(C)CC1 ZINC000069839112 343292391 /nfs/dbraw/zinc/29/23/91/343292391.db2.gz KLPDCSAUXRTKOX-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089240 187255149 /nfs/dbraw/zinc/25/51/49/187255149.db2.gz QMZHSJOYNSSBNM-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000584051626 343306953 /nfs/dbraw/zinc/30/69/53/343306953.db2.gz ITJGETIMAZNMRN-GUBZILKMSA-N 1 3 230.356 0.362 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000335613224 136295721 /nfs/dbraw/zinc/29/57/21/136295721.db2.gz TWICHOCDOZZTIA-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335613222 136295770 /nfs/dbraw/zinc/29/57/70/136295770.db2.gz TWICHOCDOZZTIA-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)[NH+](C)C ZINC000038089226 343370358 /nfs/dbraw/zinc/37/03/58/343370358.db2.gz LCGLZGUTFIYPSW-AAEUAGOBSA-N 1 3 249.358 0.623 20 0 BCADHO CCC[C@H](C(=O)NCCCC[NH3+])N(C)C ZINC000569843622 323042658 /nfs/dbraw/zinc/04/26/58/323042658.db2.gz HRRAIQARCLVUIJ-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CN1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000037266955 343342333 /nfs/dbraw/zinc/34/23/33/343342333.db2.gz BSDBAOGACMYRIU-UHFFFAOYSA-N 1 3 247.342 0.969 20 0 BCADHO CC(C)(C[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000335653885 136306037 /nfs/dbraw/zinc/30/60/37/136306037.db2.gz OENKMNJOVDZOKL-ZETCQYMHSA-N 1 3 235.278 0.085 20 0 BCADHO NC1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000335658287 136307529 /nfs/dbraw/zinc/30/75/29/136307529.db2.gz SPIYKNXWMOKFJY-UHFFFAOYSA-N 1 3 245.326 0.787 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000335661544 136315062 /nfs/dbraw/zinc/31/50/62/136315062.db2.gz FZNDKWAYXHSINC-GHMZBOCLSA-N 1 3 239.363 0.892 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCCC1 ZINC000335662260 136315534 /nfs/dbraw/zinc/31/55/34/136315534.db2.gz IFNAFCJNOQFLJO-MNOVXSKESA-N 1 3 239.363 0.892 20 0 BCADHO CC(C)[C@@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000166230468 136315643 /nfs/dbraw/zinc/31/56/43/136315643.db2.gz ADQPXUTWIRFGTN-CYBMUJFWSA-N 1 3 225.380 0.870 20 0 BCADHO CC(C)[C@@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000166230468 136315644 /nfs/dbraw/zinc/31/56/44/136315644.db2.gz ADQPXUTWIRFGTN-CYBMUJFWSA-N 1 3 225.380 0.870 20 0 BCADHO COCCOCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166230812 136315751 /nfs/dbraw/zinc/31/57/51/136315751.db2.gz YHYUMLOTWXLBHV-WDEREUQCSA-N 1 3 216.325 0.319 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000349079177 136322600 /nfs/dbraw/zinc/32/26/00/136322600.db2.gz ISFMAYROMXRPKP-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809137 343409523 /nfs/dbraw/zinc/40/95/23/343409523.db2.gz OMRQEMQQXCMUSB-CMPLNLGQSA-N 1 3 235.331 0.753 20 0 BCADHO CN(C)Cc1ccccc1CNC(=O)CC[NH3+] ZINC000040855251 343410106 /nfs/dbraw/zinc/41/01/06/343410106.db2.gz XFZCECTVOQBRLB-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO CNC[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000082419859 343440475 /nfs/dbraw/zinc/44/04/75/343440475.db2.gz RJZNSPMAGCBQSP-LBPRGKRZSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000082419859 343440479 /nfs/dbraw/zinc/44/04/79/343440479.db2.gz RJZNSPMAGCBQSP-LBPRGKRZSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@H](CNC(=O)CCC[NH3+])N1CCC(C)CC1 ZINC000166340668 136352212 /nfs/dbraw/zinc/35/22/12/136352212.db2.gz QLSYXRVRDSGSRF-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000335701470 136334064 /nfs/dbraw/zinc/33/40/64/136334064.db2.gz MLODXYOHWFMSTN-MNOVXSKESA-N 1 3 237.347 0.468 20 0 BCADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000310344638 343451022 /nfs/dbraw/zinc/45/10/22/343451022.db2.gz DWWSXALQQNPCNV-BDAKNGLRSA-N 1 3 249.305 0.522 20 0 BCADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)NC)CC1 ZINC000322774969 136364258 /nfs/dbraw/zinc/36/42/58/136364258.db2.gz JGJWMDSFTBARMX-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000083961264 343511509 /nfs/dbraw/zinc/51/15/09/343511509.db2.gz DHJDALCJSFFJGK-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCCCN1C ZINC000618190749 343557142 /nfs/dbraw/zinc/55/71/42/343557142.db2.gz DWWIGIYKGHPMTK-LBPRGKRZSA-N 1 3 239.363 0.491 20 0 BCADHO CNC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152478321 343557699 /nfs/dbraw/zinc/55/76/99/343557699.db2.gz MLNHWGBADINFCR-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CNC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152478321 343557700 /nfs/dbraw/zinc/55/77/00/343557700.db2.gz MLNHWGBADINFCR-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000086068911 343609498 /nfs/dbraw/zinc/60/94/98/343609498.db2.gz ZNWDRCSIZMYHPB-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO CC[C@@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000152908618 343611496 /nfs/dbraw/zinc/61/14/96/343611496.db2.gz JVHAGEDQJOMIBW-HTAVTVPLSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000399089756 488227141 /nfs/dbraw/zinc/22/71/41/488227141.db2.gz WAKFPZNNVJBETD-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000399089756 488227144 /nfs/dbraw/zinc/22/71/44/488227144.db2.gz WAKFPZNNVJBETD-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1CCO ZINC000380004299 365795071 /nfs/dbraw/zinc/79/50/71/365795071.db2.gz YWEUKMMRPYSLAC-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1CCO ZINC000380004299 365795081 /nfs/dbraw/zinc/79/50/81/365795081.db2.gz YWEUKMMRPYSLAC-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO O=C(CNC1CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000153920869 343706014 /nfs/dbraw/zinc/70/60/14/343706014.db2.gz OSKAWNQSBDVEGU-JTQLQIEISA-N 1 3 225.336 0.244 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CNC2CC2)C1 ZINC000154664228 343743511 /nfs/dbraw/zinc/74/35/11/343743511.db2.gz IGFIVHYUHJRTMK-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000154273707 343712901 /nfs/dbraw/zinc/71/29/01/343712901.db2.gz UXBQTHSSADPGIZ-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)CCSC ZINC000154539056 343716353 /nfs/dbraw/zinc/71/63/53/343716353.db2.gz IYAJXIFRKCDNHQ-VIFPVBQESA-N 1 3 233.381 0.183 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000584113027 343759522 /nfs/dbraw/zinc/75/95/22/343759522.db2.gz WYLMKWLFDBHHGR-LMLFDSFASA-N 1 3 243.326 0.320 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000261923822 349857128 /nfs/dbraw/zinc/85/71/28/349857128.db2.gz XZJXJPHWHVAZMN-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000261923822 349857133 /nfs/dbraw/zinc/85/71/33/349857133.db2.gz XZJXJPHWHVAZMN-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(N)C(F)(F)F ZINC000577061269 365797986 /nfs/dbraw/zinc/79/79/86/365797986.db2.gz FOMNMVISLBLKHP-VQVTYTSYSA-N 1 3 239.241 0.072 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000187923543 259371092 /nfs/dbraw/zinc/37/10/92/259371092.db2.gz VSALULNGIVFOFH-RYUDHWBXSA-N 1 3 246.420 0.984 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000187923543 259371093 /nfs/dbraw/zinc/37/10/93/259371093.db2.gz VSALULNGIVFOFH-RYUDHWBXSA-N 1 3 246.420 0.984 20 0 BCADHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418379492 529908066 /nfs/dbraw/zinc/90/80/66/529908066.db2.gz KQDUPUBYOPIKDJ-NSHDSACASA-N 1 3 240.351 0.086 20 0 BCADHO CC(C)(C[NH3+])C(=O)NCCN1CCCCC1 ZINC000044752147 187355244 /nfs/dbraw/zinc/35/52/44/187355244.db2.gz CZBPQIBZJJYMCU-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000341906119 187356675 /nfs/dbraw/zinc/35/66/75/187356675.db2.gz WTKKQLKHCXIXRH-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000335895064 344045288 /nfs/dbraw/zinc/04/52/88/344045288.db2.gz CQKMHIDJVPBJIH-WDEREUQCSA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)CC(N)=O)C1 ZINC000341906119 187356677 /nfs/dbraw/zinc/35/66/77/187356677.db2.gz WTKKQLKHCXIXRH-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)CC(N)=O)C1 ZINC000341906119 187356680 /nfs/dbraw/zinc/35/66/80/187356680.db2.gz WTKKQLKHCXIXRH-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570635788 323065513 /nfs/dbraw/zinc/06/55/13/323065513.db2.gz WKMILBXVHYCZEJ-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@@H](N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232696 362285250 /nfs/dbraw/zinc/28/52/50/362285250.db2.gz JKEKRCDUKLFICK-SNVBAGLBSA-N 1 3 223.324 0.688 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000130332291 344130922 /nfs/dbraw/zinc/13/09/22/344130922.db2.gz HMZYIDYEKRSSII-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000130332291 344130924 /nfs/dbraw/zinc/13/09/24/344130924.db2.gz HMZYIDYEKRSSII-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000130333371 344131208 /nfs/dbraw/zinc/13/12/08/344131208.db2.gz ZTTAOFLPMSWUTN-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000130333371 344131210 /nfs/dbraw/zinc/13/12/10/344131210.db2.gz ZTTAOFLPMSWUTN-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000130356302 344133140 /nfs/dbraw/zinc/13/31/40/344133140.db2.gz YUSDQYLSNVRRIO-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000130356302 344133141 /nfs/dbraw/zinc/13/31/41/344133141.db2.gz YUSDQYLSNVRRIO-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130557016 344148020 /nfs/dbraw/zinc/14/80/20/344148020.db2.gz ZMLYDHBTEYQVGX-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130557016 344148022 /nfs/dbraw/zinc/14/80/22/344148022.db2.gz ZMLYDHBTEYQVGX-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000130555014 344148088 /nfs/dbraw/zinc/14/80/88/344148088.db2.gz BOBZJKLQDLNNEF-TUAOUCFPSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000130555014 344148090 /nfs/dbraw/zinc/14/80/90/344148090.db2.gz BOBZJKLQDLNNEF-TUAOUCFPSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CC)C1 ZINC000130575487 344149255 /nfs/dbraw/zinc/14/92/55/344149255.db2.gz LXDIVPNLXRVOGA-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)CC)C1 ZINC000130575487 344149256 /nfs/dbraw/zinc/14/92/56/344149256.db2.gz LXDIVPNLXRVOGA-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000129081872 344209957 /nfs/dbraw/zinc/20/99/57/344209957.db2.gz LYLHBVVHOGXLDZ-NXEZZACHSA-N 1 3 213.325 0.230 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000131708177 344233901 /nfs/dbraw/zinc/23/39/01/344233901.db2.gz UUAOILRZBOSUNN-UWVGGRQHSA-N 1 3 213.325 0.086 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000236747329 187289340 /nfs/dbraw/zinc/28/93/40/187289340.db2.gz PJCVOQKOBWHTTC-VIFPVBQESA-N 1 3 215.341 0.474 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000131867584 344237449 /nfs/dbraw/zinc/23/74/49/344237449.db2.gz VIRQEYHEBSIUAZ-VHSXEESVSA-N 1 3 213.325 0.100 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000131867826 344237469 /nfs/dbraw/zinc/23/74/69/344237469.db2.gz VIRQEYHEBSIUAZ-NXEZZACHSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752815 344205341 /nfs/dbraw/zinc/20/53/41/344205341.db2.gz STWKFZLMZUFQAL-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761964 344254959 /nfs/dbraw/zinc/25/49/59/344254959.db2.gz MYXAIHVBAJISEO-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)CNC2CC2)C1 ZINC000634762341 344255777 /nfs/dbraw/zinc/25/57/77/344255777.db2.gz UWMYHCIHBOMCCL-NSHDSACASA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236648618 187290156 /nfs/dbraw/zinc/29/01/56/187290156.db2.gz UKFGNLPOTPNXHW-FOSCPWQOSA-N 1 3 239.363 0.726 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764386 344276663 /nfs/dbraw/zinc/27/66/63/344276663.db2.gz RRZWHDWBJRBVPR-VHSXEESVSA-N 1 3 227.352 0.489 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)CC1CCN(C)CC1 ZINC000092137007 344288990 /nfs/dbraw/zinc/28/89/90/344288990.db2.gz NDASCVDSVONLHM-NSHDSACASA-N 1 3 241.379 0.642 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210367 344312226 /nfs/dbraw/zinc/31/22/26/344312226.db2.gz GMVHTLIHGMCHSR-STQMWFEESA-N 1 3 241.379 0.568 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCCN2CCOCC2)C1 ZINC000093210367 344312228 /nfs/dbraw/zinc/31/22/28/344312228.db2.gz GMVHTLIHGMCHSR-STQMWFEESA-N 1 3 241.379 0.568 20 0 BCADHO COC(=O)CCCCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000600706305 344360476 /nfs/dbraw/zinc/36/04/76/344360476.db2.gz UEZKHXYKBLCNQS-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000584290958 344425949 /nfs/dbraw/zinc/42/59/49/344425949.db2.gz QWPXOWASVWKJQR-ZJUUUORDSA-N 1 3 245.392 0.325 20 0 BCADHO CC(C)C[C@H](CNC(=O)[C@@H](C)N)[NH+](C)C ZINC000040831278 344393780 /nfs/dbraw/zinc/39/37/80/344393780.db2.gz MRYHWMRBNKOEGZ-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000236825463 344406564 /nfs/dbraw/zinc/40/65/64/344406564.db2.gz UQBTUWQDXKRJRK-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N(C)CCN1CCCC1 ZINC000641413529 362403456 /nfs/dbraw/zinc/40/34/56/362403456.db2.gz JTQMCPHCIWEYKW-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000577396946 344526158 /nfs/dbraw/zinc/52/61/58/344526158.db2.gz UQUXWQPPLJNSCA-YIZRAAEISA-N 1 3 249.305 0.603 20 0 BCADHO O=C([C@H]1CCCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000037812578 344590685 /nfs/dbraw/zinc/59/06/85/344590685.db2.gz RTISIMNQMCYPQL-VXGBXAGGSA-N 1 3 237.347 0.435 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824247 344593279 /nfs/dbraw/zinc/59/32/79/344593279.db2.gz ASJNMTPLFJZPMM-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CC(C)N1CCCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641426707 362410781 /nfs/dbraw/zinc/41/07/81/362410781.db2.gz VWPFKUJCPZJMEG-NSHDSACASA-N 1 3 242.367 0.459 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)CCC[NH2+]C ZINC000237066812 344587767 /nfs/dbraw/zinc/58/77/67/344587767.db2.gz UQBTUWQDXKRJRK-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000237066789 344588201 /nfs/dbraw/zinc/58/82/01/344588201.db2.gz DUTULJCKJDZMPU-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641481499 362449976 /nfs/dbraw/zinc/44/99/76/362449976.db2.gz YOXCJOUKOBHEQF-NSHDSACASA-N 1 3 244.383 0.563 20 0 BCADHO CC(C)([NH3+])CN1CCN(CC2CC2)CC1 ZINC000042491274 187292248 /nfs/dbraw/zinc/29/22/48/187292248.db2.gz DAQXFNRNQKKFOL-UHFFFAOYSA-N 1 3 211.353 0.751 20 0 BCADHO CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038864 344688200 /nfs/dbraw/zinc/68/82/00/344688200.db2.gz GCKJIYRTKKYSLH-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038864 344688201 /nfs/dbraw/zinc/68/82/01/344688201.db2.gz GCKJIYRTKKYSLH-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+]CC[C@H](NC(=O)CNC1CC1)C(F)(F)F ZINC000562980506 323077886 /nfs/dbraw/zinc/07/78/86/323077886.db2.gz FUHPRQWJQIACDH-ZETCQYMHSA-N 1 3 239.241 0.134 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000574520148 344884109 /nfs/dbraw/zinc/88/41/09/344884109.db2.gz DXEVEOAMMUCWCN-AEJSXWLSSA-N 1 3 213.325 0.371 20 0 BCADHO CC(C)[C@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000319009607 259381778 /nfs/dbraw/zinc/38/17/78/259381778.db2.gz OXNVPPGTRIDUQM-WDEREUQCSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000574520152 344884621 /nfs/dbraw/zinc/88/46/21/344884621.db2.gz DXEVEOAMMUCWCN-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088896 537871601 /nfs/dbraw/zinc/87/16/01/537871601.db2.gz DSCHOTQXZYPWIS-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088896 537871608 /nfs/dbraw/zinc/87/16/08/537871608.db2.gz DSCHOTQXZYPWIS-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO COC[C@@H](CO)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000234897181 537882683 /nfs/dbraw/zinc/88/26/83/537882683.db2.gz OTSAFYPQXCVRRA-ZYHUDNBSSA-N 1 3 230.352 0.314 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000155244258 345074778 /nfs/dbraw/zinc/07/47/78/345074778.db2.gz WRPIPQOIKSHWJE-QCNOEVLYSA-N 1 3 241.379 0.946 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](COC)C1 ZINC000310450674 259382482 /nfs/dbraw/zinc/38/24/82/259382482.db2.gz XZFLKYSYKCIEOX-STQMWFEESA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](COC)C1 ZINC000310450674 259382484 /nfs/dbraw/zinc/38/24/84/259382484.db2.gz XZFLKYSYKCIEOX-STQMWFEESA-N 1 3 244.379 0.657 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)CC(F)F ZINC000574876625 345068020 /nfs/dbraw/zinc/06/80/20/345068020.db2.gz AASFQQRXFYKZDK-CIUDSAMLSA-N 1 3 249.305 0.697 20 0 BCADHO CN(C[C@H](O)C[NH2+]C1CCN(C)CC1)C1CC1 ZINC000310430732 259382519 /nfs/dbraw/zinc/38/25/19/259382519.db2.gz SPVPHGLQGPEFSJ-CYBMUJFWSA-N 1 3 241.379 0.125 20 0 BCADHO COC[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000151000404 345165260 /nfs/dbraw/zinc/16/52/60/345165260.db2.gz QEHUXXWSAHYMOI-GFCCVEGCSA-N 1 3 243.395 0.637 20 0 BCADHO CCCN1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991581 345177830 /nfs/dbraw/zinc/17/78/30/345177830.db2.gz JVDYMKKYWHONKE-UHFFFAOYSA-N 1 3 223.364 0.766 20 0 BCADHO C[C@@H]1[C@H](C)N(CC23CC(C2)C[NH2+]3)CCN1C ZINC000634994672 345182429 /nfs/dbraw/zinc/18/24/29/345182429.db2.gz KDKNRBPSYMVLAW-IALDZJHCSA-N 1 3 223.364 0.763 20 0 BCADHO CC(C)[C@@H](C[NH3+])CN1CCNC[C@](C)(F)C1 ZINC000634994644 345182741 /nfs/dbraw/zinc/18/27/41/345182741.db2.gz JNDJIRRPBIIAGG-RYUDHWBXSA-N 1 3 231.359 0.851 20 0 BCADHO F[C@@H]1CN[C@H](CNCC23CC(C2)C[NH2+]3)C1 ZINC000634995651 345185073 /nfs/dbraw/zinc/18/50/73/345185073.db2.gz LLSJWKAEBRBZHP-SEQHWMEXSA-N 1 3 213.300 0.028 20 0 BCADHO OCCNC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000635001685 345201339 /nfs/dbraw/zinc/20/13/39/345201339.db2.gz BNWOBJSKMFSTTG-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO CCC[C@@H](CCO)[NH2+][C@H](C)C1CNC1 ZINC000635005307 345209083 /nfs/dbraw/zinc/20/90/83/345209083.db2.gz UFSORBLVWFQXEW-KOLCDFICSA-N 1 3 200.326 0.735 20 0 BCADHO CCC[C@@H](CCO)N[C@H](C)C1C[NH2+]C1 ZINC000635005307 345209084 /nfs/dbraw/zinc/20/90/84/345209084.db2.gz UFSORBLVWFQXEW-KOLCDFICSA-N 1 3 200.326 0.735 20 0 BCADHO CC(C)OCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000635012041 345214429 /nfs/dbraw/zinc/21/44/29/345214429.db2.gz IVOGUSGSEZHESL-SDDRHHMPSA-N 1 3 230.352 0.753 20 0 BCADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000635008084 345215658 /nfs/dbraw/zinc/21/56/58/345215658.db2.gz ZHSRGJVCSYDDGE-GRRRKWKPSA-N 1 3 242.363 0.894 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000635255885 345288722 /nfs/dbraw/zinc/28/87/22/345288722.db2.gz YCUHWQDGPVPUAW-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000635255885 345288724 /nfs/dbraw/zinc/28/87/24/345288724.db2.gz YCUHWQDGPVPUAW-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC000635255888 345288980 /nfs/dbraw/zinc/28/89/80/345288980.db2.gz YCUHWQDGPVPUAW-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000635255888 345288982 /nfs/dbraw/zinc/28/89/82/345288982.db2.gz YCUHWQDGPVPUAW-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000159085511 345408388 /nfs/dbraw/zinc/40/83/88/345408388.db2.gz SELMMFFLMVFTLA-WDEREUQCSA-N 1 3 227.352 0.426 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)N(C)C ZINC000168986253 345418376 /nfs/dbraw/zinc/41/83/76/345418376.db2.gz BSCIRPNBNUPIBX-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000381339075 345395922 /nfs/dbraw/zinc/39/59/22/345395922.db2.gz WXGYTVHGTISKSD-UTLUCORTSA-N 1 3 213.325 0.165 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000068891763 349929790 /nfs/dbraw/zinc/92/97/90/349929790.db2.gz AQKKJQGYFTXIMQ-CMPLNLGQSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068891763 349929794 /nfs/dbraw/zinc/92/97/94/349929794.db2.gz AQKKJQGYFTXIMQ-CMPLNLGQSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000068891763 349929798 /nfs/dbraw/zinc/92/97/98/349929798.db2.gz AQKKJQGYFTXIMQ-CMPLNLGQSA-N 1 3 228.336 0.068 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262842036 535000466 /nfs/dbraw/zinc/00/04/66/535000466.db2.gz JAWKHVDMRDSCLH-QWRGUYRKSA-N 1 3 227.352 0.583 20 0 BCADHO CNCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000563096772 323092169 /nfs/dbraw/zinc/09/21/69/323092169.db2.gz JNVDIONHLANWRN-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC1(CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000563135601 323094631 /nfs/dbraw/zinc/09/46/31/323094631.db2.gz RNSGRMHGOLYEAS-GFCCVEGCSA-N 1 3 223.364 0.766 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H]1CO ZINC000196724654 345743507 /nfs/dbraw/zinc/74/35/07/345743507.db2.gz UADKQUVEIVBWKQ-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1CO ZINC000196724654 345743508 /nfs/dbraw/zinc/74/35/08/345743508.db2.gz UADKQUVEIVBWKQ-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO NC[C@@H]1c2ccccc2CCN1CCC[NH3+] ZINC000140683304 345856733 /nfs/dbraw/zinc/85/67/33/345856733.db2.gz VOHIHDSYOSCODG-CYBMUJFWSA-N 1 3 219.332 0.893 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)CNC1CC1 ZINC000381444924 345917237 /nfs/dbraw/zinc/91/72/37/345917237.db2.gz ASZFDFRFTNEFOG-LLVKDONJSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000563168840 323099651 /nfs/dbraw/zinc/09/96/51/323099651.db2.gz AVSPMTPYBNNKHW-NAKRPEOUSA-N 1 3 227.352 0.617 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CCSC ZINC000381473845 346024567 /nfs/dbraw/zinc/02/45/67/346024567.db2.gz PTAQHLKCKNVRNN-RKDXNWHRSA-N 1 3 233.381 0.181 20 0 BCADHO C[C@H](O)C[N@H+](C)CCCN1CCCC1 ZINC000051821954 346085573 /nfs/dbraw/zinc/08/55/73/346085573.db2.gz XWUXIIDLHNICHO-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO C[C@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC000051821954 346085574 /nfs/dbraw/zinc/08/55/74/346085574.db2.gz XWUXIIDLHNICHO-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000429410433 192098072 /nfs/dbraw/zinc/09/80/72/192098072.db2.gz QTSGBTRSFPMBDD-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000429410433 192098074 /nfs/dbraw/zinc/09/80/74/192098074.db2.gz QTSGBTRSFPMBDD-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365092614 187317948 /nfs/dbraw/zinc/31/79/48/187317948.db2.gz ILUBIMNCMIIQCO-BXKDBHETSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365092620 187318532 /nfs/dbraw/zinc/31/85/32/187318532.db2.gz ILUBIMNCMIIQCO-CABZTGNLSA-N 1 3 225.336 0.454 20 0 BCADHO CC[NH+](CC)CC[C@H](CO)NC1CCOCC1 ZINC000641771174 362708520 /nfs/dbraw/zinc/70/85/20/362708520.db2.gz DGFQRNYHJDFURT-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300360131 346432183 /nfs/dbraw/zinc/43/21/83/346432183.db2.gz UFPKXUKDCPAQTK-PWSUYJOCSA-N 1 3 225.336 0.339 20 0 BCADHO C[N@H+](CCCN1CCOCC1)C1CCNCC1 ZINC000215991715 349965733 /nfs/dbraw/zinc/96/57/33/349965733.db2.gz PBNWXWUZOPCCBU-UHFFFAOYSA-N 1 3 241.379 0.393 20 0 BCADHO C[N@@H+](CCCN1CCOCC1)C1CCNCC1 ZINC000215991715 349965736 /nfs/dbraw/zinc/96/57/36/349965736.db2.gz PBNWXWUZOPCCBU-UHFFFAOYSA-N 1 3 241.379 0.393 20 0 BCADHO CN(CCCN1CCOCC1)C1CC[NH2+]CC1 ZINC000215991715 349965738 /nfs/dbraw/zinc/96/57/38/349965738.db2.gz PBNWXWUZOPCCBU-UHFFFAOYSA-N 1 3 241.379 0.393 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248942655 346462039 /nfs/dbraw/zinc/46/20/39/346462039.db2.gz AAWDSAKXXYMWMI-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186306883 346502449 /nfs/dbraw/zinc/50/24/49/346502449.db2.gz CZXRUOPAQRYZRJ-NSHDSACASA-N 1 3 225.336 0.396 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000641801500 362756903 /nfs/dbraw/zinc/75/69/03/362756903.db2.gz RFNQMBRXROUQCU-OPRDCNLKSA-N 1 3 235.335 0.481 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCc2ncnn21 ZINC000641801500 362756905 /nfs/dbraw/zinc/75/69/05/362756905.db2.gz RFNQMBRXROUQCU-OPRDCNLKSA-N 1 3 235.335 0.481 20 0 BCADHO CCN(C)C(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000641802290 362757813 /nfs/dbraw/zinc/75/78/13/362757813.db2.gz ITXQZIRXHGXMOK-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158293078 535050840 /nfs/dbraw/zinc/05/08/40/535050840.db2.gz DQLYHMAJLDIDQB-CMPLNLGQSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336559305 187369446 /nfs/dbraw/zinc/36/94/46/187369446.db2.gz DRJAFJLYVRGSSG-NEPJUHHUSA-N 1 3 239.363 0.395 20 0 BCADHO COC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000300380116 346575269 /nfs/dbraw/zinc/57/52/69/346575269.db2.gz SZZBYTAVFYFIIW-AXFHLTTASA-N 1 3 216.325 0.507 20 0 BCADHO CNCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178217186 346662496 /nfs/dbraw/zinc/66/24/96/346662496.db2.gz XJVANCMNIXKXQK-MRVPVSSYSA-N 1 3 207.277 0.864 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000563623579 323132099 /nfs/dbraw/zinc/13/20/99/323132099.db2.gz LCQIKESMZZJJOL-LPEHRKFASA-N 1 3 213.325 0.167 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580650418 365845309 /nfs/dbraw/zinc/84/53/09/365845309.db2.gz QMMALZARLGRCQH-LOWVWBTDSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)CN(C)C ZINC000352711299 187370423 /nfs/dbraw/zinc/37/04/23/187370423.db2.gz AKEYFXSZXCYMQK-LLVKDONJSA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)N[C@H](C)CN(C)C ZINC000352711299 187370425 /nfs/dbraw/zinc/37/04/25/187370425.db2.gz AKEYFXSZXCYMQK-LLVKDONJSA-N 1 3 244.383 0.576 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N(C)C1CC1 ZINC000300422204 346746224 /nfs/dbraw/zinc/74/62/24/346746224.db2.gz WUVZITFKJYAFDA-SCVCMEIPSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000518766810 346793098 /nfs/dbraw/zinc/79/30/98/346793098.db2.gz URQKOGYUTMWHSP-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309758210 347156880 /nfs/dbraw/zinc/15/68/80/347156880.db2.gz IAPDXXASQYLHBW-ZJUUUORDSA-N 1 3 215.341 0.603 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000580328422 347162372 /nfs/dbraw/zinc/16/23/72/347162372.db2.gz URIVDHNKKPXBLQ-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(SC)CC1 ZINC000601323462 347205866 /nfs/dbraw/zinc/20/58/66/347205866.db2.gz AQWBZISJWXBCRG-LLVKDONJSA-N 1 3 232.393 0.784 20 0 BCADHO Cn1cc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000087765873 362786666 /nfs/dbraw/zinc/78/66/66/362786666.db2.gz FJJYDYSPQGTDFV-NEPJUHHUSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1cc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cn1 ZINC000087765873 362786671 /nfs/dbraw/zinc/78/66/71/362786671.db2.gz FJJYDYSPQGTDFV-NEPJUHHUSA-N 1 3 222.336 0.822 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250331868 362799917 /nfs/dbraw/zinc/79/99/17/362799917.db2.gz OPKNAKVJRNXKJA-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@H]2CCCNC(=O)C2)C1 ZINC000250331868 362799920 /nfs/dbraw/zinc/79/99/20/362799920.db2.gz OPKNAKVJRNXKJA-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@H]2CCCNC(=O)C2)C1 ZINC000250331868 362799925 /nfs/dbraw/zinc/79/99/25/362799925.db2.gz OPKNAKVJRNXKJA-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000310307303 347260768 /nfs/dbraw/zinc/26/07/68/347260768.db2.gz SAFWZIWLTPRPCN-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000310307303 347260772 /nfs/dbraw/zinc/26/07/72/347260772.db2.gz SAFWZIWLTPRPCN-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H](C(=O)NC1CC1)N1CCC(CC[NH3+])CC1 ZINC000070188515 349975809 /nfs/dbraw/zinc/97/58/09/349975809.db2.gz BWWSHYIIGXQSOX-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000019436574 347324034 /nfs/dbraw/zinc/32/40/34/347324034.db2.gz UFPGKKCEKGXULP-NXEZZACHSA-N 1 3 215.341 0.428 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000382547445 347356193 /nfs/dbraw/zinc/35/61/93/347356193.db2.gz GHFLPXKSNIVANU-QJPTWQEYSA-N 1 3 230.352 0.491 20 0 BCADHO O=C1CC[C@H]([NH2+]CCCN2CCCC2)CCN1 ZINC000396733285 362831475 /nfs/dbraw/zinc/83/14/75/362831475.db2.gz GDILKNJHNGEVKV-LBPRGKRZSA-N 1 3 239.363 0.731 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050909 362841497 /nfs/dbraw/zinc/84/14/97/362841497.db2.gz HDGTZVQZNKDEDE-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050909 362841502 /nfs/dbraw/zinc/84/15/02/362841502.db2.gz HDGTZVQZNKDEDE-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@@H]1C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000082476689 347618402 /nfs/dbraw/zinc/61/84/02/347618402.db2.gz SCANZYUVVIHKNX-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000252882376 347670232 /nfs/dbraw/zinc/67/02/32/347670232.db2.gz ZJTBOPNSRAYPRX-GUBZILKMSA-N 1 3 225.336 0.323 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](C)C1 ZINC000308534949 347820852 /nfs/dbraw/zinc/82/08/52/347820852.db2.gz RQCGDSOFFZCYPT-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C)C1 ZINC000308534949 347820854 /nfs/dbraw/zinc/82/08/54/347820854.db2.gz RQCGDSOFFZCYPT-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000577396944 365945850 /nfs/dbraw/zinc/94/58/50/365945850.db2.gz UQUXWQPPLJNSCA-DJLDLDEBSA-N 1 3 249.305 0.603 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000038098263 348053030 /nfs/dbraw/zinc/05/30/30/348053030.db2.gz DVZBVUPMNYXCKM-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO CCC[C@H](C[NH2+]CC1(O)CCN(C)CC1)OC ZINC000397698075 362901086 /nfs/dbraw/zinc/90/10/86/362901086.db2.gz ZSFNLALUKLTHHA-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595903543 348395411 /nfs/dbraw/zinc/39/54/11/348395411.db2.gz XYCZOJFDQANUNB-AXFHLTTASA-N 1 3 225.336 0.275 20 0 BCADHO CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595903543 348395413 /nfs/dbraw/zinc/39/54/13/348395413.db2.gz XYCZOJFDQANUNB-AXFHLTTASA-N 1 3 225.336 0.275 20 0 BCADHO O[C@@H](CN[C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000052014580 323192136 /nfs/dbraw/zinc/19/21/36/323192136.db2.gz NREYEYKDUKTLQO-YNEHKIRRSA-N 1 3 242.363 0.336 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCCCCC1 ZINC000054076095 348878727 /nfs/dbraw/zinc/87/87/27/348878727.db2.gz FEZPVKPOLLYKDA-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)NC ZINC000054076845 348880204 /nfs/dbraw/zinc/88/02/04/348880204.db2.gz LIFBWEQDDOPEGM-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054074460 348889463 /nfs/dbraw/zinc/88/94/63/348889463.db2.gz DAKCGJDQNXMKIX-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000054074460 348889466 /nfs/dbraw/zinc/88/94/66/348889466.db2.gz DAKCGJDQNXMKIX-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO COCC[C@@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513899 362939137 /nfs/dbraw/zinc/93/91/37/362939137.db2.gz QYEDQRUGOSRFEM-RYUDHWBXSA-N 1 3 244.379 0.846 20 0 BCADHO COCC[C@@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513899 362939145 /nfs/dbraw/zinc/93/91/45/362939145.db2.gz QYEDQRUGOSRFEM-RYUDHWBXSA-N 1 3 244.379 0.846 20 0 BCADHO COC(=O)CCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000599268755 349136476 /nfs/dbraw/zinc/13/64/76/349136476.db2.gz ICJABZQKJIJFLA-PHIMTYICSA-N 1 3 226.320 0.481 20 0 BCADHO CN1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250149281 349167081 /nfs/dbraw/zinc/16/70/81/349167081.db2.gz VSGTXUYRTWDVAS-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCN(C)[C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250400873 349171169 /nfs/dbraw/zinc/17/11/69/349171169.db2.gz SKLUKIFSVJSGGH-FRRDWIJNSA-N 1 3 240.395 0.092 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])N(CC)CC ZINC000449604737 201983508 /nfs/dbraw/zinc/98/35/08/201983508.db2.gz UHVOESXRFNNQSI-HBNTYKKESA-N 1 3 229.368 0.959 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252851470 349218625 /nfs/dbraw/zinc/21/86/25/349218625.db2.gz IBQUEOKFVAYRRW-YFKTTZPYSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000252852521 349219177 /nfs/dbraw/zinc/21/91/77/349219177.db2.gz IRHILZFQYKHCQM-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000253164811 349227967 /nfs/dbraw/zinc/22/79/67/349227967.db2.gz YJWSOEKJMZMPQH-IJLUTSLNSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000253164811 349227968 /nfs/dbraw/zinc/22/79/68/349227968.db2.gz YJWSOEKJMZMPQH-IJLUTSLNSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)C(C)(C)C ZINC000309021690 349305607 /nfs/dbraw/zinc/30/56/07/349305607.db2.gz XNYMZUZTQPQHJG-JGVFFNPUSA-N 1 3 201.314 0.213 20 0 BCADHO Cc1cnn(CCN2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000304447523 350153826 /nfs/dbraw/zinc/15/38/26/350153826.db2.gz WUOPUHLVBVQCNY-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219997484 350154865 /nfs/dbraw/zinc/15/48/65/350154865.db2.gz GMFQYOXQIFXQJW-GXSJLCMTSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219997484 350154868 /nfs/dbraw/zinc/15/48/68/350154868.db2.gz GMFQYOXQIFXQJW-GXSJLCMTSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133789110 191042839 /nfs/dbraw/zinc/04/28/39/191042839.db2.gz BHGXIKBYMBENEH-VXGBXAGGSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133789110 191042844 /nfs/dbraw/zinc/04/28/44/191042844.db2.gz BHGXIKBYMBENEH-VXGBXAGGSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232636 490393862 /nfs/dbraw/zinc/39/38/62/490393862.db2.gz GLRSQOVRLCPKJW-LPEHRKFASA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000427565293 191081693 /nfs/dbraw/zinc/08/16/93/191081693.db2.gz NDTDFJYDKSSMBD-IJLUTSLNSA-N 1 3 241.379 0.687 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000426433318 191083735 /nfs/dbraw/zinc/08/37/35/191083735.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000426433318 191083737 /nfs/dbraw/zinc/08/37/37/191083737.db2.gz NOBLTZOIKVBPRY-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427592101 191083489 /nfs/dbraw/zinc/08/34/89/191083489.db2.gz OEWGEERCHIWCRA-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427614385 191084715 /nfs/dbraw/zinc/08/47/15/191084715.db2.gz WPUSACYJBKDKKA-UMNHJUIQSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309258578 350243248 /nfs/dbraw/zinc/24/32/48/350243248.db2.gz HEJFREQJIHBRDP-AEJSXWLSSA-N 1 3 213.325 0.165 20 0 BCADHO CCOC[C@@H](O)CN(C)C1CC[NH+](CC)CC1 ZINC000069277099 350351442 /nfs/dbraw/zinc/35/14/42/350351442.db2.gz XGIKGKCBBWDIIM-ZDUSSCGKSA-N 1 3 244.379 0.800 20 0 BCADHO CCN(C[C@@H](O)C[N@H+](C)CC)CC(C)(C)O ZINC000309281556 323340291 /nfs/dbraw/zinc/34/02/91/323340291.db2.gz TWVJNSBVFKMVAP-NSHDSACASA-N 1 3 232.368 0.392 20 0 BCADHO CCN(C[C@@H](O)C[N@@H+](C)CC)CC(C)(C)O ZINC000309281556 323340294 /nfs/dbraw/zinc/34/02/94/323340294.db2.gz TWVJNSBVFKMVAP-NSHDSACASA-N 1 3 232.368 0.392 20 0 BCADHO C[C@H](CNC(=O)CC[C@H](C)[NH3+])N(C)C ZINC000069839629 350412805 /nfs/dbraw/zinc/41/28/05/350412805.db2.gz FVVCLOQAAGLVKV-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CN(C)CCO1 ZINC000163257890 350511756 /nfs/dbraw/zinc/51/17/56/350511756.db2.gz LRKZTIXDQOWGIK-UPJWGTAASA-N 1 3 241.379 0.247 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CN(C)CCO1 ZINC000163257890 350511760 /nfs/dbraw/zinc/51/17/60/350511760.db2.gz LRKZTIXDQOWGIK-UPJWGTAASA-N 1 3 241.379 0.247 20 0 BCADHO [NH3+]C1(CNC(=O)CNC2CC2)CCCCCC1 ZINC000577474041 365962594 /nfs/dbraw/zinc/96/25/94/365962594.db2.gz NUQCQPPQYVAIMB-UHFFFAOYSA-N 1 3 239.363 0.906 20 0 BCADHO O[C@H](C[NH2+]CCc1ccco1)CN1CCCC1 ZINC000038059454 350594495 /nfs/dbraw/zinc/59/44/95/350594495.db2.gz HAGKDOJKUUOCLB-GFCCVEGCSA-N 1 3 238.331 0.868 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C(C)C)N(C)C ZINC000157121218 191116672 /nfs/dbraw/zinc/11/66/72/191116672.db2.gz PQEHNSGYEGYAFQ-QWRGUYRKSA-N 1 3 229.368 0.672 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)C)CN1C1CC1 ZINC000346696405 365992352 /nfs/dbraw/zinc/99/23/52/365992352.db2.gz PGVYGTSNTFPTHN-NTZNESFSSA-N 1 3 241.379 0.124 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000571174723 350867011 /nfs/dbraw/zinc/86/70/11/350867011.db2.gz TUEHXZFQTACEMG-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000229973470 535160193 /nfs/dbraw/zinc/16/01/93/535160193.db2.gz VGRUQWMWBUBAKY-OUAUKWLOSA-N 1 3 200.326 0.720 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN2CCC1CC2 ZINC000335463005 133854505 /nfs/dbraw/zinc/85/45/05/133854505.db2.gz JKUKJGKZCWXGEJ-NXEZZACHSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000637809757 351646807 /nfs/dbraw/zinc/64/68/07/351646807.db2.gz YFMYAIXBKLBPIW-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CN(CC(=O)N[C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000637810161 351650364 /nfs/dbraw/zinc/65/03/64/351650364.db2.gz BAYSWJGQIRKCKC-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637815810 351654933 /nfs/dbraw/zinc/65/49/33/351654933.db2.gz XVCLJDAFGOZTBT-NWDGAFQWSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H]1CNCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000637817097 351658536 /nfs/dbraw/zinc/65/85/36/351658536.db2.gz POLABZDAGPITNX-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H]1CNCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637817097 351658539 /nfs/dbraw/zinc/65/85/39/351658539.db2.gz POLABZDAGPITNX-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637835285 351686468 /nfs/dbraw/zinc/68/64/68/351686468.db2.gz GFWRTJXSKUKRBH-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834432 351689229 /nfs/dbraw/zinc/68/92/29/351689229.db2.gz WPHFVOOVOVRQQX-VXGBXAGGSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)CN(C)CC(C)(C)C ZINC000637845215 351701044 /nfs/dbraw/zinc/70/10/44/351701044.db2.gz VNOPTZIDDWFSSA-JTQLQIEISA-N 1 3 229.368 0.770 20 0 BCADHO CC[C@H](C(=O)N[C@](C)(C[NH3+])C(C)C)N(C)C ZINC000637850135 351707638 /nfs/dbraw/zinc/70/76/38/351707638.db2.gz ITFKSVRLKQCHQL-ZYHUDNBSSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])N(C)C ZINC000637847191 351705137 /nfs/dbraw/zinc/70/51/37/351705137.db2.gz LWEPKVFGZXPKRG-UTUOFQBUSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000637821448 351665818 /nfs/dbraw/zinc/66/58/18/351665818.db2.gz BLQJIQLKKTWDIL-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](N)CCC(C)C ZINC000637823682 351668848 /nfs/dbraw/zinc/66/88/48/351668848.db2.gz IFCGLYRUCVUKNY-SECBINFHSA-N 1 3 201.314 0.086 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)Cc1nc[nH]c1C ZINC000637859138 351716302 /nfs/dbraw/zinc/71/63/02/351716302.db2.gz SXHYOXAOTFKJSL-UHFFFAOYSA-N 1 3 238.335 0.894 20 0 BCADHO C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCN1C ZINC000626986085 363084766 /nfs/dbraw/zinc/08/47/66/363084766.db2.gz ADMLFSCBNCVFTH-HBNTYKKESA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC(C[NH3+])CC1 ZINC000577848198 366081705 /nfs/dbraw/zinc/08/17/05/366081705.db2.gz DQVAWLHREASXCV-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049842 351927632 /nfs/dbraw/zinc/92/76/32/351927632.db2.gz OZHWCLXCMMLBGU-NWDGAFQWSA-N 1 3 237.347 0.634 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC1CCN(CC)CC1 ZINC000638052076 351929325 /nfs/dbraw/zinc/92/93/25/351929325.db2.gz WHRWQOPWVBIBNT-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)NCCN2CCCCC2)C1 ZINC000638055965 351931845 /nfs/dbraw/zinc/93/18/45/351931845.db2.gz VHIQUGIZDDQNTQ-GFCCVEGCSA-N 1 3 237.347 0.636 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000638057419 351933291 /nfs/dbraw/zinc/93/32/91/351933291.db2.gz VQJOYLJUIQKQMA-SNVBAGLBSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CCCC1 ZINC000638059779 351933755 /nfs/dbraw/zinc/93/37/55/351933755.db2.gz WPUPUOUQWDPTME-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000638068044 351938121 /nfs/dbraw/zinc/93/81/21/351938121.db2.gz ALQOGZUEHHGHME-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638085534 351961960 /nfs/dbraw/zinc/96/19/60/351961960.db2.gz MGZDSVHGXYTPPQ-JQWIXIFHSA-N 1 3 237.347 0.492 20 0 BCADHO CN1CCC[C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638085535 351962036 /nfs/dbraw/zinc/96/20/36/351962036.db2.gz MGZDSVHGXYTPPQ-PWSUYJOCSA-N 1 3 237.347 0.492 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000638094340 351974642 /nfs/dbraw/zinc/97/46/42/351974642.db2.gz HKBJALLZVGABOM-QWHCGFSZSA-N 1 3 249.358 0.731 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000638151189 352012053 /nfs/dbraw/zinc/01/20/53/352012053.db2.gz ARZPSVKDWWVJQL-MNOVXSKESA-N 1 3 227.352 0.603 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN(CC)C1CC1 ZINC000638096960 351976887 /nfs/dbraw/zinc/97/68/87/351976887.db2.gz ONMBQBOCBRPXGD-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000638098316 351977639 /nfs/dbraw/zinc/97/76/39/351977639.db2.gz BLWDHLXHMICNKB-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000638099650 351979633 /nfs/dbraw/zinc/97/96/33/351979633.db2.gz IHNCOKFFUPMEKK-STQMWFEESA-N 1 3 249.358 0.634 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000638099647 351980073 /nfs/dbraw/zinc/98/00/73/351980073.db2.gz IHNCOKFFUPMEKK-OLZOCXBDSA-N 1 3 249.358 0.634 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000638100578 351980491 /nfs/dbraw/zinc/98/04/91/351980491.db2.gz KFRATBXVYWMEBL-VHSXEESVSA-N 1 3 227.352 0.583 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638151950 352013019 /nfs/dbraw/zinc/01/30/19/352013019.db2.gz BPWNMULCDRXUGM-SECBINFHSA-N 1 3 222.292 0.114 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000638121800 351995444 /nfs/dbraw/zinc/99/54/44/351995444.db2.gz HJVZTXXRUORSFD-QJPTWQEYSA-N 1 3 241.379 0.926 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000638126913 351998106 /nfs/dbraw/zinc/99/81/06/351998106.db2.gz RNLCDWRRNNYSAO-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638201386 352065614 /nfs/dbraw/zinc/06/56/14/352065614.db2.gz VQVNYHHWNZKBDX-OPRDCNLKSA-N 1 3 213.325 0.371 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000638205175 352067560 /nfs/dbraw/zinc/06/75/60/352067560.db2.gz GRZJCIRJBKMZQL-OPRDCNLKSA-N 1 3 213.325 0.193 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638156101 352019136 /nfs/dbraw/zinc/01/91/36/352019136.db2.gz GTFPNXGHQSDASN-OPRDCNLKSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)CN1 ZINC000638160467 352024797 /nfs/dbraw/zinc/02/47/97/352024797.db2.gz XXTFDDMBLAWKPK-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)CN1 ZINC000638160883 352028155 /nfs/dbraw/zinc/02/81/55/352028155.db2.gz ZVEHCJJRTQOPDS-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)CN1 ZINC000638160883 352028158 /nfs/dbraw/zinc/02/81/58/352028158.db2.gz ZVEHCJJRTQOPDS-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CCN[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638166273 352030404 /nfs/dbraw/zinc/03/04/04/352030404.db2.gz WEMCDGWVGMDVOF-PWSUYJOCSA-N 1 3 227.352 0.490 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638173012 352040194 /nfs/dbraw/zinc/04/01/94/352040194.db2.gz ZAFOGMWEFPVFFC-CMPLNLGQSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H](C)[NH3+] ZINC000638211306 352077083 /nfs/dbraw/zinc/07/70/83/352077083.db2.gz PRSXNGKMNKLIBK-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000638241768 352091961 /nfs/dbraw/zinc/09/19/61/352091961.db2.gz FWVNWGFLJQUSMR-VIFPVBQESA-N 1 3 249.314 0.844 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)N(C)C ZINC000638261118 352103610 /nfs/dbraw/zinc/10/36/10/352103610.db2.gz CIWMYRJUEBVZQU-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](N)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960728 352105845 /nfs/dbraw/zinc/10/58/45/352105845.db2.gz JPOAFKIOIQYIOS-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H](N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960728 352105846 /nfs/dbraw/zinc/10/58/46/352105846.db2.gz JPOAFKIOIQYIOS-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CCCN1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000083961269 352106636 /nfs/dbraw/zinc/10/66/36/352106636.db2.gz YYZLSLVGBNJZLP-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)CCC(C)C ZINC000638345832 352164988 /nfs/dbraw/zinc/16/49/88/352164988.db2.gz FFZPVUMZOUKUGO-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638370732 352181019 /nfs/dbraw/zinc/18/10/19/352181019.db2.gz NCAWEVNXYPOQII-XHNCKOQMSA-N 1 3 201.314 0.226 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000638369335 352182499 /nfs/dbraw/zinc/18/24/99/352182499.db2.gz GEDAZVMVLUEZME-KXUCPTDWSA-N 1 3 215.341 0.569 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375928 352185859 /nfs/dbraw/zinc/18/58/59/352185859.db2.gz JUMKUDKCKZUWRX-WDEREUQCSA-N 1 3 239.363 0.775 20 0 BCADHO CCCN(CCN(C)C)C(=O)CCC1C[NH2+]C1 ZINC000638378380 352189402 /nfs/dbraw/zinc/18/94/02/352189402.db2.gz WHDFVSRXCIYHHZ-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000638312237 352138000 /nfs/dbraw/zinc/13/80/00/352138000.db2.gz FCRDSNJQNUMJJV-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)[C@H]2C1 ZINC000638313326 352139958 /nfs/dbraw/zinc/13/99/58/352139958.db2.gz UAEZXTVRPIBFLO-WXHSDQCUSA-N 1 3 249.358 0.587 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638427221 352235408 /nfs/dbraw/zinc/23/54/08/352235408.db2.gz VFAOPWCUUMJHBZ-NWDGAFQWSA-N 1 3 237.347 0.634 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)[NH2+]CC)C1 ZINC000638427590 352235758 /nfs/dbraw/zinc/23/57/58/352235758.db2.gz VGSDCFWXAFUCED-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](C)[NH2+]CC)C1 ZINC000638427589 352235827 /nfs/dbraw/zinc/23/58/27/352235827.db2.gz VGSDCFWXAFUCED-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C)N(C)C ZINC000638429784 352237868 /nfs/dbraw/zinc/23/78/68/352237868.db2.gz AEGZERPQHNKAOH-DTWKUNHWSA-N 1 3 201.314 0.051 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CCC(C)C ZINC000638433086 352242301 /nfs/dbraw/zinc/24/23/01/352242301.db2.gz VZPXFQYZMODCPQ-UWVGGRQHSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)CCN1CCCCC1 ZINC000638397914 352201757 /nfs/dbraw/zinc/20/17/57/352201757.db2.gz RKJSMRZSWGEOLH-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000638395604 352202496 /nfs/dbraw/zinc/20/24/96/352202496.db2.gz CQYLNZBHVTUJEE-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N(C)C ZINC000638399065 352205826 /nfs/dbraw/zinc/20/58/26/352205826.db2.gz YBQQFRCKEWORJP-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627035814 363140919 /nfs/dbraw/zinc/14/09/19/363140919.db2.gz LLKNDBITDJZMFF-GARJFASQSA-N 1 3 242.367 0.376 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCCCN1 ZINC000638498140 352318374 /nfs/dbraw/zinc/31/83/74/352318374.db2.gz JXRZOPZMHBRWPL-GHMZBOCLSA-N 1 3 237.347 0.529 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000638484236 352294476 /nfs/dbraw/zinc/29/44/76/352294476.db2.gz POMRHPKWEWHLAV-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@H]1CNCCN1C(=O)C[N@H+](C)C(C)C ZINC000638490261 352299087 /nfs/dbraw/zinc/29/90/87/352299087.db2.gz TYVTZBBAHNKAPQ-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@H]1CNCCN1C(=O)C[N@@H+](C)C(C)C ZINC000638490261 352299089 /nfs/dbraw/zinc/29/90/89/352299089.db2.gz TYVTZBBAHNKAPQ-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638508053 352329826 /nfs/dbraw/zinc/32/98/26/352329826.db2.gz MKDFSQICXZFTGB-SNVBAGLBSA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)C ZINC000638511904 352336354 /nfs/dbraw/zinc/33/63/54/352336354.db2.gz HRBWKGYWLFKWKU-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H](N)C(C)(C)C ZINC000638522341 352355904 /nfs/dbraw/zinc/35/59/04/352355904.db2.gz GBHXQJNSNWWNAU-MRVPVSSYSA-N 1 3 201.314 0.167 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H]1CNCc2ccccc21 ZINC000638515605 352344985 /nfs/dbraw/zinc/34/49/85/352344985.db2.gz AHFUWNLESHFIPV-ZDUSSCGKSA-N 1 3 247.342 0.681 20 0 BCADHO CCN(CC)CC(=O)N(CC)CC[NH3+] ZINC000638517216 352345375 /nfs/dbraw/zinc/34/53/75/352345375.db2.gz OTCNNVGGTVAOJT-UHFFFAOYSA-N 1 3 201.314 0.135 20 0 BCADHO CCN(CC[NH3+])C(=O)CN1[C@H](C)CC[C@H]1C ZINC000638517798 352348967 /nfs/dbraw/zinc/34/89/67/352348967.db2.gz CQTTWQWMLDIPHN-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)[NH3+] ZINC000638528506 352362028 /nfs/dbraw/zinc/36/20/28/352362028.db2.gz KCBGKNDBRBCNHM-QJPTWQEYSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](N)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638546105 352376613 /nfs/dbraw/zinc/37/66/13/352376613.db2.gz AUZOBNVXHUGXAI-SECBINFHSA-N 1 3 233.315 0.772 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000638639841 352481812 /nfs/dbraw/zinc/48/18/12/352481812.db2.gz NTSQFXLXRLEJMS-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCCN2)C[NH2+]1 ZINC000638653769 352495273 /nfs/dbraw/zinc/49/52/73/352495273.db2.gz HBRNITLEMYCTBK-OUAUKWLOSA-N 1 3 225.336 0.385 20 0 BCADHO NC1(C(=O)NCCOCCC[NH3+])CCCCC1 ZINC000638657490 352497866 /nfs/dbraw/zinc/49/78/66/352497866.db2.gz QHFHQKFALJEBFN-UHFFFAOYSA-N 1 3 243.351 0.130 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638669408 352511584 /nfs/dbraw/zinc/51/15/84/352511584.db2.gz BQXQPINVZXVNRJ-NSHDSACASA-N 1 3 245.367 0.184 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638669407 352511751 /nfs/dbraw/zinc/51/17/51/352511751.db2.gz BQXQPINVZXVNRJ-LLVKDONJSA-N 1 3 245.367 0.184 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCN1C ZINC000638727430 352586354 /nfs/dbraw/zinc/58/63/54/352586354.db2.gz HQTYLFSCPKIHEV-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638730065 352592450 /nfs/dbraw/zinc/59/24/50/352592450.db2.gz RBJLPBKSBUXXMJ-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638730070 352592710 /nfs/dbraw/zinc/59/27/10/352592710.db2.gz RELDJENSIIENGC-GMXVVIOVSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[NH+](CCNC(=O)C(C)(C)N)C(C)C ZINC000040920041 352600292 /nfs/dbraw/zinc/60/02/92/352600292.db2.gz KMUOJUNNKLLTRR-UHFFFAOYSA-N 1 3 229.368 0.959 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807182 352604493 /nfs/dbraw/zinc/60/44/93/352604493.db2.gz JQBLLONYWZTMPB-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N(C)C1CC1 ZINC000300422201 352563364 /nfs/dbraw/zinc/56/33/64/352563364.db2.gz WUVZITFKJYAFDA-JBLDHEPKSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H](C(=O)NC1CC1)N1CCC(C[NH3+])CC1 ZINC000044514438 352653894 /nfs/dbraw/zinc/65/38/94/352653894.db2.gz CWKSMTZYDNYSAR-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526688 352654906 /nfs/dbraw/zinc/65/49/06/352654906.db2.gz VLQBLWGWXGIIGA-ZDUSSCGKSA-N 1 3 241.379 0.962 20 0 BCADHO CN1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000044762593 352656285 /nfs/dbraw/zinc/65/62/85/352656285.db2.gz XYLXXSPCIIHICH-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000638766388 352703306 /nfs/dbraw/zinc/70/33/06/352703306.db2.gz VLBWHGIHACRAMY-LMLFDSFASA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775320 352722295 /nfs/dbraw/zinc/72/22/95/352722295.db2.gz BQZNLZWULJLILG-WHOHXGKFSA-N 1 3 239.363 0.726 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)c1cccc2c1CCNC2 ZINC000638792897 352755141 /nfs/dbraw/zinc/75/51/41/352755141.db2.gz SAXZUKKTSHAGNT-LLVKDONJSA-N 1 3 245.326 0.424 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1CC[NH2+]CC1 ZINC000334212390 352810016 /nfs/dbraw/zinc/81/00/16/352810016.db2.gz RKZXPTDTDQBUGE-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860054 353036259 /nfs/dbraw/zinc/03/62/59/353036259.db2.gz UKZFLZSNFVUCOW-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(C)C ZINC000638914216 353072612 /nfs/dbraw/zinc/07/26/12/353072612.db2.gz PDAAGUGGAGHVKH-GARJFASQSA-N 1 3 225.336 0.145 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915127 353074273 /nfs/dbraw/zinc/07/42/73/353074273.db2.gz NJZMARCNOFFBOB-GARJFASQSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577853824 366085685 /nfs/dbraw/zinc/08/56/85/366085685.db2.gz VPCYDFLXVVGOSJ-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)CNC2 ZINC000638937682 353111431 /nfs/dbraw/zinc/11/14/31/353111431.db2.gz UOVXKWWZSAXYNC-RNCFNFMXSA-N 1 3 245.326 0.852 20 0 BCADHO CN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000638923812 353084345 /nfs/dbraw/zinc/08/43/45/353084345.db2.gz IOAFRTQUYUOUNS-TXEJJXNPSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CCC(C)CC1 ZINC000638930937 353092010 /nfs/dbraw/zinc/09/20/10/353092010.db2.gz ISMCOZXTWFBMMP-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N(C)C ZINC000638933759 353096255 /nfs/dbraw/zinc/09/62/55/353096255.db2.gz ZQFHKOCVZAQVAM-LPEHRKFASA-N 1 3 213.325 0.275 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933641 353096262 /nfs/dbraw/zinc/09/62/62/353096262.db2.gz YUGCUELIGAJDAH-MXWKQRLJSA-N 1 3 227.352 0.698 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933644 353096354 /nfs/dbraw/zinc/09/63/54/353096354.db2.gz YUGCUELIGAJDAH-VWYCJHECSA-N 1 3 227.352 0.698 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H]1CNCCC1(F)F ZINC000638934041 353096970 /nfs/dbraw/zinc/09/69/70/353096970.db2.gz FGABFJBEXXNFON-HRDYMLBCSA-N 1 3 247.289 0.179 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638935603 353099291 /nfs/dbraw/zinc/09/92/91/353099291.db2.gz OAHHKTSIXLCPQK-ZJUUUORDSA-N 1 3 213.325 0.275 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638935600 353099384 /nfs/dbraw/zinc/09/93/84/353099384.db2.gz OAHHKTSIXLCPQK-NXEZZACHSA-N 1 3 213.325 0.275 20 0 BCADHO CN1CCC[C@@H](C[N@H+](C)CCn2cncn2)C1 ZINC000336700577 188012086 /nfs/dbraw/zinc/01/20/86/188012086.db2.gz LGJALUKZONMDBW-GFCCVEGCSA-N 1 3 237.351 0.552 20 0 BCADHO CN1CCC[C@@H](C[N@@H+](C)CCn2cncn2)C1 ZINC000336700577 188012089 /nfs/dbraw/zinc/01/20/89/188012089.db2.gz LGJALUKZONMDBW-GFCCVEGCSA-N 1 3 237.351 0.552 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCC[NH2+]CC ZINC000309456028 353126897 /nfs/dbraw/zinc/12/68/97/353126897.db2.gz NRMBEXNRPDEMBY-NSHDSACASA-N 1 3 215.341 0.620 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638941989 353134454 /nfs/dbraw/zinc/13/44/54/353134454.db2.gz BCTFVYFBFLWOMT-GMTAPVOTSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)N(C)C(=O)[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000342120940 188044479 /nfs/dbraw/zinc/04/44/79/188044479.db2.gz AKSXUANIEODCSY-SNVBAGLBSA-N 1 3 227.352 0.713 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966579 353175140 /nfs/dbraw/zinc/17/51/40/353175140.db2.gz FKJBSKHSSMRKFV-HAQNSBGRSA-N 1 3 241.379 0.962 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967984 353175904 /nfs/dbraw/zinc/17/59/04/353175904.db2.gz MXEFDNMQFLZWFD-IWSPIJDZSA-N 1 3 249.305 0.603 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261581736 535207095 /nfs/dbraw/zinc/20/70/95/535207095.db2.gz NVMXCCLTTKETMI-LPEHRKFASA-N 1 3 213.325 0.356 20 0 BCADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)NC)CC1 ZINC000638981642 353191876 /nfs/dbraw/zinc/19/18/76/353191876.db2.gz VUPQKUGDNCJRRN-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO N[C@H](CC(F)F)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996966 353242426 /nfs/dbraw/zinc/24/24/26/353242426.db2.gz SELASMYKTIBYES-MRVPVSSYSA-N 1 3 249.305 0.747 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000336768969 353285858 /nfs/dbraw/zinc/28/58/58/353285858.db2.gz VEGOCFMUVUXJOB-RKDXNWHRSA-N 1 3 201.314 0.215 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCN(C)C ZINC000122116583 324029748 /nfs/dbraw/zinc/02/97/48/324029748.db2.gz YSCZKPPXZQUTQB-NEPJUHHUSA-N 1 3 213.369 0.868 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377810643 188251790 /nfs/dbraw/zinc/25/17/90/188251790.db2.gz CPXXBLVDOCFUPG-MXWKQRLJSA-N 1 3 225.336 0.038 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000336710149 188256404 /nfs/dbraw/zinc/25/64/04/188256404.db2.gz SZGLCKPMSBJFPQ-RKDXNWHRSA-N 1 3 201.314 0.069 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCNC3)C[C@@H]12 ZINC000252841691 353312333 /nfs/dbraw/zinc/31/23/33/353312333.db2.gz APCRVSADWOGUKO-UMSGYPCISA-N 1 3 224.348 0.689 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCNC3)C[C@@H]12 ZINC000252841691 353312336 /nfs/dbraw/zinc/31/23/36/353312336.db2.gz APCRVSADWOGUKO-UMSGYPCISA-N 1 3 224.348 0.689 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CCN1C ZINC000252151386 353296865 /nfs/dbraw/zinc/29/68/65/353296865.db2.gz OQVMXYUGNLLGJF-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000252651520 353303878 /nfs/dbraw/zinc/30/38/78/353303878.db2.gz QECSGCRPSMSQJA-GARJFASQSA-N 1 3 227.352 0.441 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)COC)C1 ZINC000563710515 353335825 /nfs/dbraw/zinc/33/58/25/353335825.db2.gz ZDBBOQGQOSPDMQ-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)COC)C1 ZINC000563710515 353335829 /nfs/dbraw/zinc/33/58/29/353335829.db2.gz ZDBBOQGQOSPDMQ-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC000563710515 353335831 /nfs/dbraw/zinc/33/58/31/353335831.db2.gz ZDBBOQGQOSPDMQ-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N(C)C ZINC000639043583 353323750 /nfs/dbraw/zinc/32/37/50/353323750.db2.gz UBWRVBVHRPGGKH-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000037001227 188325419 /nfs/dbraw/zinc/32/54/19/188325419.db2.gz RWVLYNZETWRGPN-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CCC[C@@H](CNC[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049614 353344047 /nfs/dbraw/zinc/34/40/47/353344047.db2.gz WCDDDVFOMUHJMF-RYUDHWBXSA-N 1 3 230.352 0.458 20 0 BCADHO CCC[C@@H](CNC[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049614 353344050 /nfs/dbraw/zinc/34/40/50/353344050.db2.gz WCDDDVFOMUHJMF-RYUDHWBXSA-N 1 3 230.352 0.458 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812658 358477993 /nfs/dbraw/zinc/47/79/93/358477993.db2.gz SVFVKHKJNNADDZ-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812658 358477996 /nfs/dbraw/zinc/47/79/96/358477996.db2.gz SVFVKHKJNNADDZ-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639072855 353389905 /nfs/dbraw/zinc/38/99/05/353389905.db2.gz ZZBJBBLIHCMTTR-UWVGGRQHSA-N 1 3 233.315 0.813 20 0 BCADHO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCN2)c2ccccc21 ZINC000639067688 353382308 /nfs/dbraw/zinc/38/23/08/353382308.db2.gz LEQLDTJLMHBYKF-ZYHUDNBSSA-N 1 3 245.326 0.828 20 0 BCADHO C[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000165526884 353384611 /nfs/dbraw/zinc/38/46/11/353384611.db2.gz XJVGBNRNZDUQEP-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000110653815 188352874 /nfs/dbraw/zinc/35/28/74/188352874.db2.gz VRDYVPZWOWQDGR-LLVKDONJSA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000110653815 188352876 /nfs/dbraw/zinc/35/28/76/188352876.db2.gz VRDYVPZWOWQDGR-LLVKDONJSA-N 1 3 227.352 0.395 20 0 BCADHO COCCN(C)CCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000343301768 353467240 /nfs/dbraw/zinc/46/72/40/353467240.db2.gz JFKLYYRADOPARY-QWHCGFSZSA-N 1 3 243.395 0.494 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CCSCC1 ZINC000230934316 353548539 /nfs/dbraw/zinc/54/85/39/353548539.db2.gz QZTGFISMGVWPQC-NWDGAFQWSA-N 1 3 243.420 0.752 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000230934316 353548541 /nfs/dbraw/zinc/54/85/41/353548541.db2.gz QZTGFISMGVWPQC-NWDGAFQWSA-N 1 3 243.420 0.752 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000334514255 353579367 /nfs/dbraw/zinc/57/93/67/353579367.db2.gz HTDLMFBHSQZXGD-WDEREUQCSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000334514255 353579369 /nfs/dbraw/zinc/57/93/69/353579369.db2.gz HTDLMFBHSQZXGD-WDEREUQCSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC000577864665 366090135 /nfs/dbraw/zinc/09/01/35/366090135.db2.gz RAFOVMWHJGIADC-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000232014744 353680464 /nfs/dbraw/zinc/68/04/64/353680464.db2.gz BCJNEUKROUPJDA-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000232014744 353680466 /nfs/dbraw/zinc/68/04/66/353680466.db2.gz BCJNEUKROUPJDA-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO CC[C@@H](O)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000398467488 363246028 /nfs/dbraw/zinc/24/60/28/363246028.db2.gz COFIXQMEHMKRTH-CHWSQXEVSA-N 1 3 244.379 0.584 20 0 BCADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC000639113727 353713951 /nfs/dbraw/zinc/71/39/51/353713951.db2.gz SREGZLYXZIPZCR-TXEJJXNPSA-N 1 3 233.315 0.781 20 0 BCADHO CN1C[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC000639113727 353713954 /nfs/dbraw/zinc/71/39/54/353713954.db2.gz SREGZLYXZIPZCR-TXEJJXNPSA-N 1 3 233.315 0.781 20 0 BCADHO C[C@H](N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000195161204 353730116 /nfs/dbraw/zinc/73/01/16/353730116.db2.gz AFWDSCPLULVMMK-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO Fc1ccccc1CNCCN1CC[NH2+]CC1 ZINC000035529285 181012821 /nfs/dbraw/zinc/01/28/21/181012821.db2.gz IHKAOCZRPXZNSL-UHFFFAOYSA-N 1 3 237.322 0.821 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000627106043 363264896 /nfs/dbraw/zinc/26/48/96/363264896.db2.gz FWCFRZOSSFQZJS-OUAUKWLOSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343432622 353884515 /nfs/dbraw/zinc/88/45/15/353884515.db2.gz HHEMNJKRJVMOOC-YFKTTZPYSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@H](C)CN1 ZINC000343447003 353891030 /nfs/dbraw/zinc/89/10/30/353891030.db2.gz YVRKKQFSIVXJAJ-WISYIIOYSA-N 1 3 239.363 0.583 20 0 BCADHO O=C(NCCNc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000577950710 366133425 /nfs/dbraw/zinc/13/34/25/366133425.db2.gz YGOLVYNCOPNNTR-LLVKDONJSA-N 1 3 248.330 0.031 20 0 BCADHO [NH3+]C1(C(=O)N[C@@H]2CNCCC2(F)F)CCCC1 ZINC000334579934 354127940 /nfs/dbraw/zinc/12/79/40/354127940.db2.gz JQELAWGXASRDJS-MRVPVSSYSA-N 1 3 247.289 0.371 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)C(C)(C)N ZINC000230711337 363321525 /nfs/dbraw/zinc/32/15/25/363321525.db2.gz ATGYCMLONQTWRP-UHFFFAOYSA-N 1 3 215.341 0.524 20 0 BCADHO CC(=O)N1CCN(CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000334572661 354101656 /nfs/dbraw/zinc/10/16/56/354101656.db2.gz IPBJLFVJPTVNPZ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000344182377 354176421 /nfs/dbraw/zinc/17/64/21/354176421.db2.gz HKZXGRTXHIPVSQ-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C)CC[N@H+]1C ZINC000344182377 354176426 /nfs/dbraw/zinc/17/64/26/354176426.db2.gz HKZXGRTXHIPVSQ-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CCN1CCC(NC(=O)CCC[NH2+]C)CC1 ZINC000038098305 358484683 /nfs/dbraw/zinc/48/46/83/358484683.db2.gz WHRAPUKADUVYSE-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CCCN(C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449682476 202001747 /nfs/dbraw/zinc/00/17/47/202001747.db2.gz HIFUFEWOVZVPKQ-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449724786 202009355 /nfs/dbraw/zinc/00/93/55/202009355.db2.gz NHEWCVKJTUPBSF-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCCN1 ZINC000449729484 202011749 /nfs/dbraw/zinc/01/17/49/202011749.db2.gz ZWIRIUISUWAGFX-DMDPSCGWSA-N 1 3 239.363 0.762 20 0 BCADHO FC1(F)CNCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000334614743 354300105 /nfs/dbraw/zinc/30/01/05/354300105.db2.gz DRBVYCBUOKVIMB-MNOVXSKESA-N 1 3 247.333 0.963 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000334614743 354300109 /nfs/dbraw/zinc/30/01/09/354300109.db2.gz DRBVYCBUOKVIMB-MNOVXSKESA-N 1 3 247.333 0.963 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)C1(N)CCCCC1 ZINC000334621315 354358538 /nfs/dbraw/zinc/35/85/38/354358538.db2.gz SWXMXOXLBVCZBD-BDAKNGLRSA-N 1 3 213.325 0.500 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750832 202019842 /nfs/dbraw/zinc/01/98/42/202019842.db2.gz WTPASDNGZHJORG-DTWKUNHWSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000578014224 366178022 /nfs/dbraw/zinc/17/80/22/366178022.db2.gz DMAQLVMMTPLMSS-JQWIXIFHSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNCC2 ZINC000335095965 354635444 /nfs/dbraw/zinc/63/54/44/354635444.db2.gz ZAFOPLGLIFAMDX-SECBINFHSA-N 1 3 233.315 0.866 20 0 BCADHO C[C@@H](O)C[N@H+](CCO)CCCN1CCCCC1 ZINC000351948807 134016190 /nfs/dbraw/zinc/01/61/90/134016190.db2.gz IPYAQEAJYKQBIN-CYBMUJFWSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@@H](O)C[N@@H+](CCO)CCCN1CCCCC1 ZINC000351948807 134016191 /nfs/dbraw/zinc/01/61/91/134016191.db2.gz IPYAQEAJYKQBIN-CYBMUJFWSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@H](O)C[C@H](C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000398644112 363394027 /nfs/dbraw/zinc/39/40/27/363394027.db2.gz WANSXFPBASAWFQ-RWMBFGLXSA-N 1 3 244.379 0.440 20 0 BCADHO CN(C)CCOCC[NH2+]CC1(C)COC1 ZINC000234245397 363418070 /nfs/dbraw/zinc/41/80/70/363418070.db2.gz WLAWEONATQMTGA-UHFFFAOYSA-N 1 3 216.325 0.191 20 0 BCADHO Cc1ccc(CCCNC[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000345999670 354836335 /nfs/dbraw/zinc/83/63/35/354836335.db2.gz WQNUBHKZXZWDRG-KBPBESRZSA-N 1 3 249.358 0.493 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCCN1C ZINC000235165095 363438593 /nfs/dbraw/zinc/43/85/93/363438593.db2.gz CYKDOZDUCXFPPU-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCCN1C ZINC000235165410 363438730 /nfs/dbraw/zinc/43/87/30/363438730.db2.gz CYKDOZDUCXFPPU-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CCN(C)CCNC(=O)[C@@H](C[NH3+])C(C)C ZINC000054128941 491069137 /nfs/dbraw/zinc/06/91/37/491069137.db2.gz KPRUXQZETOWVGR-JTQLQIEISA-N 1 3 215.341 0.285 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000166056176 354956081 /nfs/dbraw/zinc/95/60/81/354956081.db2.gz NQGWWFAHDKQRTL-DDHJBXDOSA-N 1 3 241.379 0.816 20 0 BCADHO CC1CCN(CC(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000335257463 355193771 /nfs/dbraw/zinc/19/37/71/355193771.db2.gz KSZPMBDZWNAPMU-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)(N)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000347001827 355199647 /nfs/dbraw/zinc/19/96/47/355199647.db2.gz IGVJSSSSUVZSGE-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO CC(C)(N)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000347001827 355199648 /nfs/dbraw/zinc/19/96/48/355199648.db2.gz IGVJSSSSUVZSGE-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO O[C@H]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623748935 355297013 /nfs/dbraw/zinc/29/70/13/355297013.db2.gz OJWXEDZOSYKUIN-WUHRBBMRSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623748935 355297018 /nfs/dbraw/zinc/29/70/18/355297018.db2.gz OJWXEDZOSYKUIN-WUHRBBMRSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000583498198 355331430 /nfs/dbraw/zinc/33/14/30/355331430.db2.gz CPKUCZUOCNJLGB-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO C[NH2+]CCCNCCC(C)(C)C(=O)OC ZINC000414858439 191603384 /nfs/dbraw/zinc/60/33/84/191603384.db2.gz JIAZECCPNZAWDE-UHFFFAOYSA-N 1 3 216.325 0.775 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000349961596 355541175 /nfs/dbraw/zinc/54/11/75/355541175.db2.gz MSQAIHWARFVKMD-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000417886835 355630948 /nfs/dbraw/zinc/63/09/48/355630948.db2.gz ZGUDSWHAQZDEOW-ATZCPNFKSA-N 1 3 240.351 0.116 20 0 BCADHO N[C@@H](C(=O)NCCC[NH+]1CCCC1)C1CCC1 ZINC000399089743 355836753 /nfs/dbraw/zinc/83/67/53/355836753.db2.gz WAJFXNQILKDISR-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371018497 355877376 /nfs/dbraw/zinc/87/73/76/355877376.db2.gz NKAVIPBFBBBJAX-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CNCCOC ZINC000167198814 355969699 /nfs/dbraw/zinc/96/96/99/355969699.db2.gz SPNUYTMKJIAADH-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CNCCOC ZINC000167198814 355969704 /nfs/dbraw/zinc/96/97/04/355969704.db2.gz SPNUYTMKJIAADH-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000418260425 192006208 /nfs/dbraw/zinc/00/62/08/192006208.db2.gz PCSHOISDLRMBSR-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCN1C ZINC000351904556 356175967 /nfs/dbraw/zinc/17/59/67/356175967.db2.gz CPDKQNDCYHINHO-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333150719 356263428 /nfs/dbraw/zinc/26/34/28/356263428.db2.gz FDVCOXPKTZBACC-QWRGUYRKSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)[C@H](CO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000394058392 356238912 /nfs/dbraw/zinc/23/89/12/356238912.db2.gz DLBYPTSSISFULS-QWHCGFSZSA-N 1 3 244.379 0.297 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420299675 192206764 /nfs/dbraw/zinc/20/67/64/192206764.db2.gz BGFVJVVUQSUFBK-TUAOUCFPSA-N 1 3 240.347 0.997 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420319073 192195162 /nfs/dbraw/zinc/19/51/62/192195162.db2.gz OUWBHBDHOYRENH-GHMZBOCLSA-N 1 3 228.336 0.997 20 0 BCADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCF ZINC000420319085 192195188 /nfs/dbraw/zinc/19/51/88/192195188.db2.gz XBFPUCRTKUIZKU-NSHDSACASA-N 1 3 245.342 0.666 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333503649 356294903 /nfs/dbraw/zinc/29/49/03/356294903.db2.gz DPSJTKBBTPPSNZ-VPOLOUISSA-N 1 3 237.347 0.099 20 0 BCADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC000617759508 356316056 /nfs/dbraw/zinc/31/60/56/356316056.db2.gz IRFFJMZHLYGGOH-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CCOC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420316553 192213155 /nfs/dbraw/zinc/21/31/55/192213155.db2.gz YIYXZQIANOSCJS-UWVGGRQHSA-N 1 3 214.309 0.609 20 0 BCADHO NC(=O)[C@@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000250824116 181268149 /nfs/dbraw/zinc/26/81/49/181268149.db2.gz GWGBYWACNLWZSG-NEPJUHHUSA-N 1 3 239.363 0.716 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420312970 192211260 /nfs/dbraw/zinc/21/12/60/192211260.db2.gz SUDWXZKDYQZCQX-QJPTWQEYSA-N 1 3 239.363 0.524 20 0 BCADHO CCC(CC)(C[NH2+]CCCN)C(=O)OC ZINC000420371086 192227151 /nfs/dbraw/zinc/22/71/51/192227151.db2.gz KEJDZJOZLOAVFV-UHFFFAOYSA-N 1 3 216.325 0.904 20 0 BCADHO CCC(CC)(CNCCC[NH3+])C(=O)OC ZINC000420371086 192227153 /nfs/dbraw/zinc/22/71/53/192227153.db2.gz KEJDZJOZLOAVFV-UHFFFAOYSA-N 1 3 216.325 0.904 20 0 BCADHO COC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420327260 192229951 /nfs/dbraw/zinc/22/99/51/192229951.db2.gz YAEQNDRCRUQGDS-SNVBAGLBSA-N 1 3 202.298 0.513 20 0 BCADHO CN(CCCc1ccsc1)C[C@H](O)C[NH3+] ZINC000420359417 192222541 /nfs/dbraw/zinc/22/25/41/192222541.db2.gz VYNUNVAKBOZJDO-LLVKDONJSA-N 1 3 228.361 0.932 20 0 BCADHO C[N@H+](CCCc1ccsc1)C[C@H](O)CN ZINC000420359417 192222543 /nfs/dbraw/zinc/22/25/43/192222543.db2.gz VYNUNVAKBOZJDO-LLVKDONJSA-N 1 3 228.361 0.932 20 0 BCADHO C[N@@H+](CCCc1ccsc1)C[C@H](O)CN ZINC000420359417 192222547 /nfs/dbraw/zinc/22/25/47/192222547.db2.gz VYNUNVAKBOZJDO-LLVKDONJSA-N 1 3 228.361 0.932 20 0 BCADHO CN(CCCc1ccsc1)C[C@@H](O)C[NH3+] ZINC000420359419 192222809 /nfs/dbraw/zinc/22/28/09/192222809.db2.gz VYNUNVAKBOZJDO-NSHDSACASA-N 1 3 228.361 0.932 20 0 BCADHO C[N@H+](CCCc1ccsc1)C[C@@H](O)CN ZINC000420359419 192222811 /nfs/dbraw/zinc/22/28/11/192222811.db2.gz VYNUNVAKBOZJDO-NSHDSACASA-N 1 3 228.361 0.932 20 0 BCADHO C[N@@H+](CCCc1ccsc1)C[C@@H](O)CN ZINC000420359419 192222812 /nfs/dbraw/zinc/22/28/12/192222812.db2.gz VYNUNVAKBOZJDO-NSHDSACASA-N 1 3 228.361 0.932 20 0 BCADHO [NH3+]C[C@@H]1CN(CC[C@H]2CCCCO2)CCCO1 ZINC000420389686 192234478 /nfs/dbraw/zinc/23/44/78/192234478.db2.gz MIIZWWZEGVSXSZ-CHWSQXEVSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@@H]1C[N@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389686 192234479 /nfs/dbraw/zinc/23/44/79/192234479.db2.gz MIIZWWZEGVSXSZ-CHWSQXEVSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@@H]1C[N@@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389686 192234481 /nfs/dbraw/zinc/23/44/81/192234481.db2.gz MIIZWWZEGVSXSZ-CHWSQXEVSA-N 1 3 242.363 0.995 20 0 BCADHO [NH3+]C[C@@H]1CN(CC[C@@H]2CCCCO2)CCCO1 ZINC000420389689 192235341 /nfs/dbraw/zinc/23/53/41/192235341.db2.gz MIIZWWZEGVSXSZ-QWHCGFSZSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389689 192235343 /nfs/dbraw/zinc/23/53/43/192235343.db2.gz MIIZWWZEGVSXSZ-QWHCGFSZSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389689 192235346 /nfs/dbraw/zinc/23/53/46/192235346.db2.gz MIIZWWZEGVSXSZ-QWHCGFSZSA-N 1 3 242.363 0.995 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420419822 192241220 /nfs/dbraw/zinc/24/12/20/192241220.db2.gz XUOIFFHXSALCEW-NEPJUHHUSA-N 1 3 241.379 0.772 20 0 BCADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)N ZINC000019422956 356483024 /nfs/dbraw/zinc/48/30/24/356483024.db2.gz YDXVGWGFLSXDFX-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412390 356483224 /nfs/dbraw/zinc/48/32/24/356483224.db2.gz NEUYQFLDSSDPKS-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)N ZINC000019422958 356483466 /nfs/dbraw/zinc/48/34/66/356483466.db2.gz YDXVGWGFLSXDFX-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO Cn1cncc1CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000639653475 356565219 /nfs/dbraw/zinc/56/52/19/356565219.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cncc1CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000639653475 356565220 /nfs/dbraw/zinc/56/52/20/356565220.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000639653475 356565221 /nfs/dbraw/zinc/56/52/21/356565221.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000639653475 356565222 /nfs/dbraw/zinc/56/52/22/356565222.db2.gz BOPIFYWUWCUJKK-CQSZACIVSA-N 1 3 248.374 0.990 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000336219402 134138445 /nfs/dbraw/zinc/13/84/45/134138445.db2.gz NQKONGSKPOEBLJ-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627200195 363497970 /nfs/dbraw/zinc/49/79/70/363497970.db2.gz LUFQVYGEOFYMNR-MNOVXSKESA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C[C@@H]1CN ZINC000167601008 134152643 /nfs/dbraw/zinc/15/26/43/134152643.db2.gz NNJDPDCFIGBVHE-WOPDTQHZSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C[C@@H]1CN ZINC000167601008 134152644 /nfs/dbraw/zinc/15/26/44/134152644.db2.gz NNJDPDCFIGBVHE-WOPDTQHZSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCCN1C ZINC000627226738 363555035 /nfs/dbraw/zinc/55/50/35/363555035.db2.gz QZCIMYFBJQDNMF-ZJUUUORDSA-N 1 3 228.340 0.069 20 0 BCADHO C[NH+](C)C[C@@]1(O)CCCN(CCCCCO)C1 ZINC000639761011 356675723 /nfs/dbraw/zinc/67/57/23/356675723.db2.gz DSTMTJDAVXOORA-ZDUSSCGKSA-N 1 3 244.379 0.538 20 0 BCADHO CC(C)[C@@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761941 356680466 /nfs/dbraw/zinc/68/04/66/356680466.db2.gz IBGZQFRUPZSOOE-STQMWFEESA-N 1 3 244.379 0.392 20 0 BCADHO C[NH+](C)C[C@@]1(O)CCCN(CCC(C)(C)O)C1 ZINC000639763304 356688929 /nfs/dbraw/zinc/68/89/29/356688929.db2.gz PZLBJJOBJRSWEP-ZDUSSCGKSA-N 1 3 244.379 0.536 20 0 BCADHO CC1(C)CN(C(=O)[C@@]2(F)CCNC2)CC[C@@H]1[NH3+] ZINC000367187867 356746154 /nfs/dbraw/zinc/74/61/54/356746154.db2.gz SQZDSLYXRINYMA-JOYOIKCWSA-N 1 3 243.326 0.274 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000357245503 356820508 /nfs/dbraw/zinc/82/05/08/356820508.db2.gz VDFVQQYQTLQBDF-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCN1C[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CC1=O ZINC000423158417 192596033 /nfs/dbraw/zinc/59/60/33/192596033.db2.gz WRUCLGACZUXLOB-KXUCPTDWSA-N 1 3 213.325 0.323 20 0 BCADHO CN(C)C(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623387799 356919846 /nfs/dbraw/zinc/91/98/46/356919846.db2.gz WEOOTRKXDUXWLC-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CN(C)C(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623387799 356919849 /nfs/dbraw/zinc/91/98/49/356919849.db2.gz WEOOTRKXDUXWLC-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000132798371 491105097 /nfs/dbraw/zinc/10/50/97/491105097.db2.gz WBESDVOXNTWAJQ-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582362095 357101446 /nfs/dbraw/zinc/10/14/46/357101446.db2.gz WYCDBTSNTBHYEV-LBPRGKRZSA-N 1 3 235.331 0.745 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000582421251 357144259 /nfs/dbraw/zinc/14/42/59/357144259.db2.gz LQWFHNXDXKGARC-SFYZADRCSA-N 1 3 237.294 0.459 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000582425713 357145840 /nfs/dbraw/zinc/14/58/40/357145840.db2.gz KMUJICHECVJQGG-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000582425713 357145842 /nfs/dbraw/zinc/14/58/42/357145842.db2.gz KMUJICHECVJQGG-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CCCOC1 ZINC000582425713 357145847 /nfs/dbraw/zinc/14/58/47/357145847.db2.gz KMUJICHECVJQGG-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2C[C@H](F)CN2)CC[C@@H]1[NH3+] ZINC000374619200 357165779 /nfs/dbraw/zinc/16/57/79/357165779.db2.gz NNTDJFJDTLHKRL-AEJSXWLSSA-N 1 3 243.326 0.272 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CO)CC1 ZINC000393564977 357287351 /nfs/dbraw/zinc/28/73/51/357287351.db2.gz QBXUWYUQWFJHNK-QWHCGFSZSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](CO)CC1 ZINC000393564977 357287354 /nfs/dbraw/zinc/28/73/54/357287354.db2.gz QBXUWYUQWFJHNK-QWHCGFSZSA-N 1 3 244.379 0.393 20 0 BCADHO [NH3+]CCC1CCN(CCn2cncn2)CC1 ZINC000393820835 357302208 /nfs/dbraw/zinc/30/22/08/357302208.db2.gz VWPGOFGUIXVIEK-UHFFFAOYSA-N 1 3 223.324 0.339 20 0 BCADHO COC[C@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000381462829 357262052 /nfs/dbraw/zinc/26/20/52/357262052.db2.gz LNTHESAQUHDZCG-LLVKDONJSA-N 1 3 230.352 0.315 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582492916 357320456 /nfs/dbraw/zinc/32/04/56/357320456.db2.gz UWSHWPSCPGOREM-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CN(C)C[C@H](O)C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623408518 357405741 /nfs/dbraw/zinc/40/57/41/357405741.db2.gz YVTXJHWIHXAAGY-VXGBXAGGSA-N 1 3 243.395 0.371 20 0 BCADHO C[C@]1(CNC(=O)CNC2CC2)CCC[NH2+]C1 ZINC000582835454 357411757 /nfs/dbraw/zinc/41/17/57/357411757.db2.gz SKZPVDQBRKRMLQ-LBPRGKRZSA-N 1 3 225.336 0.244 20 0 BCADHO CCCN(C(=O)CNC(C)C)[C@@H]1CC[NH2+]C1 ZINC000582856394 357421712 /nfs/dbraw/zinc/42/17/12/357421712.db2.gz KIHAJUNPAXXCSV-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(C)C[C@H]2C)n1 ZINC000392383413 357501127 /nfs/dbraw/zinc/50/11/27/357501127.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 1 3 237.351 0.585 20 0 BCADHO Cc1nc(CC[NH2+][C@@H]2CCN(C)C[C@H]2C)n[nH]1 ZINC000392383413 357501136 /nfs/dbraw/zinc/50/11/36/357501136.db2.gz HCUPISVDBBGHCA-MWLCHTKSSA-N 1 3 237.351 0.585 20 0 BCADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000583023698 357452447 /nfs/dbraw/zinc/45/24/47/357452447.db2.gz GJYRLVSOGAFTIQ-GHMZBOCLSA-N 1 3 227.352 0.713 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188689303 357571405 /nfs/dbraw/zinc/57/14/05/357571405.db2.gz ZMGWETONJXTIBG-VHSXEESVSA-N 1 3 245.342 0.390 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000232602916 357668279 /nfs/dbraw/zinc/66/82/79/357668279.db2.gz SCDXWYWPYSMRTI-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO COC[C@@](C)(O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415169 357762988 /nfs/dbraw/zinc/76/29/88/357762988.db2.gz BICUMAJUPILOCN-AAEUAGOBSA-N 1 3 244.379 0.846 20 0 BCADHO COC[C@@](C)(O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415169 357762991 /nfs/dbraw/zinc/76/29/91/357762991.db2.gz BICUMAJUPILOCN-AAEUAGOBSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000233971589 357763962 /nfs/dbraw/zinc/76/39/62/357763962.db2.gz GWMBNQDZEWDBRF-MNOVXSKESA-N 1 3 245.367 0.054 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H]1NCCCC1(C)C ZINC000234362213 357792237 /nfs/dbraw/zinc/79/22/37/357792237.db2.gz WODPGGOGKZBLAK-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CCN1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000086067426 357801780 /nfs/dbraw/zinc/80/17/80/357801780.db2.gz IHMNUGNNSOGXCQ-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H](C(=O)N1CCCN(C2CC2)CC1)[C@H](C)[NH3+] ZINC000192105911 357823183 /nfs/dbraw/zinc/82/31/83/357823183.db2.gz WANAKIFZQQNHHY-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000132937580 325255377 /nfs/dbraw/zinc/25/53/77/325255377.db2.gz DIDCVDIMUICVEU-RYUDHWBXSA-N 1 3 241.379 0.973 20 0 BCADHO C[NH2+]CC1CCN(Cc2cncn2C)CC1 ZINC000085170780 134224695 /nfs/dbraw/zinc/22/46/95/134224695.db2.gz RVDCYUFPYPJDTG-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO N[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408573 357913172 /nfs/dbraw/zinc/91/31/72/357913172.db2.gz HGYUNELYNRMODO-WCQGTBRESA-N 1 3 239.363 0.748 20 0 BCADHO C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CCCNC1 ZINC000584463672 357980200 /nfs/dbraw/zinc/98/02/00/357980200.db2.gz DDDBTZSHAVLERN-UHTWSYAYSA-N 1 3 226.364 0.983 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000085975720 358001319 /nfs/dbraw/zinc/00/13/19/358001319.db2.gz WBIBOJLNCHCNTP-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000584537396 358048064 /nfs/dbraw/zinc/04/80/64/358048064.db2.gz CXPGLCHGYVRDFQ-GHMZBOCLSA-N 1 3 227.352 0.665 20 0 BCADHO O=C(CNC1CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000583866490 358055720 /nfs/dbraw/zinc/05/57/20/358055720.db2.gz NFCNBRRJJQDPPT-SNVBAGLBSA-N 1 3 225.336 0.387 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)CNC1CC1 ZINC000037476890 358071304 /nfs/dbraw/zinc/07/13/04/358071304.db2.gz IXKXKAJDLWHRQR-UHFFFAOYSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CNC1CC1 ZINC000037476897 358071543 /nfs/dbraw/zinc/07/15/43/358071543.db2.gz XMQGNXAFUIUCBG-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)CNC1CC1 ZINC000037476897 358071546 /nfs/dbraw/zinc/07/15/46/358071546.db2.gz XMQGNXAFUIUCBG-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CN1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CCC1=O ZINC000223026902 358214173 /nfs/dbraw/zinc/21/41/73/358214173.db2.gz CDUGVOHVQVACLC-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO CN1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)CCC1=O ZINC000223026902 358214175 /nfs/dbraw/zinc/21/41/75/358214175.db2.gz CDUGVOHVQVACLC-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222968359 358216196 /nfs/dbraw/zinc/21/61/96/358216196.db2.gz UOGJVLGEQJWQCA-IJLUTSLNSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222968359 358216200 /nfs/dbraw/zinc/21/62/00/358216200.db2.gz UOGJVLGEQJWQCA-IJLUTSLNSA-N 1 3 239.363 0.857 20 0 BCADHO [NH3+]CCCC(=O)NCCN1CCCCCC1 ZINC000040768273 358245678 /nfs/dbraw/zinc/24/56/78/358245678.db2.gz RPLHENMVZTYVHV-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC[NH2+]C ZINC000041680325 358333918 /nfs/dbraw/zinc/33/39/18/358333918.db2.gz ZEIBNFPXIPNDAR-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO C[C@H](CNC(=O)CNC1CC1)[N@H+](C)C1CC1 ZINC000229094137 358345198 /nfs/dbraw/zinc/34/51/98/358345198.db2.gz OHNJAXZOEIJVJW-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](CNC(=O)CNC1CC1)[N@@H+](C)C1CC1 ZINC000229094137 358345199 /nfs/dbraw/zinc/34/51/99/358345199.db2.gz OHNJAXZOEIJVJW-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CCN1C ZINC000226869225 358345892 /nfs/dbraw/zinc/34/58/92/358345892.db2.gz ZZSZCJGJSKXNMZ-NTZNESFSSA-N 1 3 239.363 0.727 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613661078 363608287 /nfs/dbraw/zinc/60/82/87/363608287.db2.gz RMZGJYUBWMOALI-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](C)NC ZINC000230711518 358410319 /nfs/dbraw/zinc/41/03/19/358410319.db2.gz IGVJHFZEAKVIPO-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538880 358389421 /nfs/dbraw/zinc/38/94/21/358389421.db2.gz OPSVMRKQUWZLCQ-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538880 358389423 /nfs/dbraw/zinc/38/94/23/358389423.db2.gz OPSVMRKQUWZLCQ-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000044539016 358390855 /nfs/dbraw/zinc/39/08/55/358390855.db2.gz VSGTXUYRTWDVAS-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CNC(=O)C(C)(C)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000230385218 358398448 /nfs/dbraw/zinc/39/84/48/358398448.db2.gz RUVSKRSVOVEPFI-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000230385218 358398451 /nfs/dbraw/zinc/39/84/51/358398451.db2.gz RUVSKRSVOVEPFI-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCNC(=O)C2CC2)C1 ZINC000229357923 358402763 /nfs/dbraw/zinc/40/27/63/358402763.db2.gz CZAAUHZRNBKFRF-WDEREUQCSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCSCC2)C1 ZINC000230931760 358412947 /nfs/dbraw/zinc/41/29/47/358412947.db2.gz GSFYNXLOQXYGMN-NEPJUHHUSA-N 1 3 243.420 0.895 20 0 BCADHO CO[C@@H](C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000219314838 134281345 /nfs/dbraw/zinc/28/13/45/134281345.db2.gz CIOXDEZEOFIFMJ-QWRGUYRKSA-N 1 3 218.341 0.578 20 0 BCADHO CCOC[C@H](C)[NH2+]CCOCCN(C)C ZINC000219320925 134281600 /nfs/dbraw/zinc/28/16/00/134281600.db2.gz FSYKLWPNKNEUBQ-NSHDSACASA-N 1 3 218.341 0.579 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000086271923 358573672 /nfs/dbraw/zinc/57/36/72/358573672.db2.gz GFBFLVOYQARZMK-ONGXEEELSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC000129753905 358595836 /nfs/dbraw/zinc/59/58/36/358595836.db2.gz FTSDCLNGBSQGCY-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)N ZINC000167196330 358652776 /nfs/dbraw/zinc/65/27/76/358652776.db2.gz MBTIKOZIVUQAAG-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)N ZINC000167196330 358652779 /nfs/dbraw/zinc/65/27/79/358652779.db2.gz MBTIKOZIVUQAAG-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000131759840 358692810 /nfs/dbraw/zinc/69/28/10/358692810.db2.gz MDDLJZNTUSYXTG-NEPJUHHUSA-N 1 3 233.315 0.116 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C1(N)CCCC1 ZINC000049559763 358694986 /nfs/dbraw/zinc/69/49/86/358694986.db2.gz BXXOFYRMMGIESI-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)N1 ZINC000131854784 358697767 /nfs/dbraw/zinc/69/77/67/358697767.db2.gz DKSUIFOQNQQCGZ-PHIMTYICSA-N 1 3 247.342 0.968 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CC[NH+](C)C ZINC000176389653 134291179 /nfs/dbraw/zinc/29/11/79/134291179.db2.gz UCIJJWFGPMDNHK-UHFFFAOYSA-N 1 3 215.341 0.347 20 0 BCADHO COC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000050120200 358716897 /nfs/dbraw/zinc/71/68/97/358716897.db2.gz NYTBWTGFXRODNW-STQMWFEESA-N 1 3 244.379 0.800 20 0 BCADHO COC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000050120200 358716899 /nfs/dbraw/zinc/71/68/99/358716899.db2.gz NYTBWTGFXRODNW-STQMWFEESA-N 1 3 244.379 0.800 20 0 BCADHO CC(C)[NH+]1CCC(N[C@H](C)CC(N)=O)CC1 ZINC000135808033 358852480 /nfs/dbraw/zinc/85/24/80/358852480.db2.gz SRHBTZDBOSPAGP-SNVBAGLBSA-N 1 3 227.352 0.713 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161598 359197561 /nfs/dbraw/zinc/19/75/61/359197561.db2.gz XUDWYTXXJQBJFB-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@H+]1CC[C@H](NCCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161598 359197565 /nfs/dbraw/zinc/19/75/65/359197565.db2.gz XUDWYTXXJQBJFB-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252205349 359310874 /nfs/dbraw/zinc/31/08/74/359310874.db2.gz XBRAAYKMEQSXBP-FRRDWIJNSA-N 1 3 244.379 0.845 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252205349 359310878 /nfs/dbraw/zinc/31/08/78/359310878.db2.gz XBRAAYKMEQSXBP-FRRDWIJNSA-N 1 3 244.379 0.845 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H](C)[NH2+]C)N(C)C ZINC000423625428 192818381 /nfs/dbraw/zinc/81/83/81/192818381.db2.gz FPWBQVCSXYTWIU-UWVGGRQHSA-N 1 3 215.341 0.441 20 0 BCADHO CN[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000578378641 366545953 /nfs/dbraw/zinc/54/59/53/366545953.db2.gz LAPOBECZVPJJEJ-VIFPVBQESA-N 1 3 213.325 0.372 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578364847 366540600 /nfs/dbraw/zinc/54/06/00/366540600.db2.gz KUZCANZJRPBDQN-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C[C@@H]1CSCCN1 ZINC000087471651 366581638 /nfs/dbraw/zinc/58/16/38/366581638.db2.gz ZLVUYWTWISYAFJ-SNVBAGLBSA-N 1 3 245.392 0.149 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(N)CC1 ZINC000088129660 359937286 /nfs/dbraw/zinc/93/72/86/359937286.db2.gz JDSBOQXMMBFZGB-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(N)CC1 ZINC000088129660 359937291 /nfs/dbraw/zinc/93/72/91/359937291.db2.gz JDSBOQXMMBFZGB-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO NC1(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000088131016 359938751 /nfs/dbraw/zinc/93/87/51/359938751.db2.gz NELRYFMFYDYWFP-NSHDSACASA-N 1 3 237.347 0.565 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000089147818 359993801 /nfs/dbraw/zinc/99/38/01/359993801.db2.gz VOUBHNFOBQZXSQ-OLZOCXBDSA-N 1 3 241.379 0.426 20 0 BCADHO CN1CCC[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612872861 360149215 /nfs/dbraw/zinc/14/92/15/360149215.db2.gz WOLRWFKMHJOFGE-ZYHUDNBSSA-N 1 3 240.351 0.132 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000092136968 360153584 /nfs/dbraw/zinc/15/35/84/360153584.db2.gz YRCCNJCLAISKJL-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000092134858 360153858 /nfs/dbraw/zinc/15/38/58/360153858.db2.gz GMQFHGIIXCPBJJ-GFCCVEGCSA-N 1 3 243.395 0.888 20 0 BCADHO NCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000514864260 360416553 /nfs/dbraw/zinc/41/65/53/360416553.db2.gz ZVPSSUADLKLIBF-LLVKDONJSA-N 1 3 221.304 0.542 20 0 BCADHO CCN(CC[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000626950556 360529706 /nfs/dbraw/zinc/52/97/06/360529706.db2.gz URXUARBYGQDBQG-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037001226 200685735 /nfs/dbraw/zinc/68/57/35/200685735.db2.gz RWVLYNZETWRGPN-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156116391 360948889 /nfs/dbraw/zinc/94/88/89/360948889.db2.gz FSORNWBJNQZQAA-SDDRHHMPSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156116391 360948894 /nfs/dbraw/zinc/94/88/94/360948894.db2.gz FSORNWBJNQZQAA-SDDRHHMPSA-N 1 3 212.337 0.831 20 0 BCADHO CC[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822679 360925942 /nfs/dbraw/zinc/92/59/42/360925942.db2.gz NTRFOANFQOITMM-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822679 360925946 /nfs/dbraw/zinc/92/59/46/360925946.db2.gz NTRFOANFQOITMM-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO [NH3+]C1(CN[C@H]2CCCSC2)CCOCC1 ZINC000629388217 361040270 /nfs/dbraw/zinc/04/02/70/361040270.db2.gz OTUVBASBGJELPS-JTQLQIEISA-N 1 3 230.377 0.980 20 0 BCADHO Cc1nn(C)c(C)c1CNCCOCCC[NH3+] ZINC000629398479 361048602 /nfs/dbraw/zinc/04/86/02/361048602.db2.gz UHMSDNPWDFJDKJ-UHFFFAOYSA-N 1 3 240.351 0.492 20 0 BCADHO [NH3+]CCCOCCNCc1cccnc1 ZINC000629398712 361049116 /nfs/dbraw/zinc/04/91/16/361049116.db2.gz XRIDHDPCBMGISH-UHFFFAOYSA-N 1 3 209.293 0.537 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCOC2CCOCC2)C1 ZINC000629519619 361119066 /nfs/dbraw/zinc/11/90/66/361119066.db2.gz DVLDIWJCWKBQBC-NWDGAFQWSA-N 1 3 242.363 0.851 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1cnn(C)c1 ZINC000629529176 361138535 /nfs/dbraw/zinc/13/85/35/361138535.db2.gz UOMIJQZTMYPPRX-SNVBAGLBSA-N 1 3 226.324 0.307 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1COCCN1C ZINC000629532657 361154255 /nfs/dbraw/zinc/15/42/55/361154255.db2.gz LFAFHZZEFINATA-FRRDWIJNSA-N 1 3 241.379 0.295 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000629532674 361154479 /nfs/dbraw/zinc/15/44/79/361154479.db2.gz LOQLGFJSVPKXGX-WOPDTQHZSA-N 1 3 227.352 0.177 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000629532672 361154491 /nfs/dbraw/zinc/15/44/91/361154491.db2.gz LOQLGFJSVPKXGX-TUAOUCFPSA-N 1 3 227.352 0.177 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000629532921 361155342 /nfs/dbraw/zinc/15/53/42/361155342.db2.gz YIUYIPLDAGUKBQ-XQQFMLRXSA-N 1 3 241.379 0.567 20 0 BCADHO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000629523396 361124823 /nfs/dbraw/zinc/12/48/23/361124823.db2.gz DUEFXVLWASTMMU-ZYUZMQFOSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000629523396 361124828 /nfs/dbraw/zinc/12/48/28/361124828.db2.gz DUEFXVLWASTMMU-ZYUZMQFOSA-N 1 3 211.309 0.110 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CN(C)C[C@H]1C ZINC000629525736 361126318 /nfs/dbraw/zinc/12/63/18/361126318.db2.gz AIQMHOOTUJQKIP-WRWGMCAJSA-N 1 3 211.353 0.667 20 0 BCADHO NC1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCCC1 ZINC000375940831 181324957 /nfs/dbraw/zinc/32/49/57/181324957.db2.gz IGHIOLGIAYTSJV-MNOVXSKESA-N 1 3 237.347 0.468 20 0 BCADHO O[C@]12C[C@H]1C[N@H+](CCCN1CCCCC1)C2 ZINC000640483002 361258083 /nfs/dbraw/zinc/25/80/83/361258083.db2.gz UINGQJFVUOTFOW-STQMWFEESA-N 1 3 224.348 0.929 20 0 BCADHO O[C@]12C[C@H]1C[N@@H+](CCCN1CCCCC1)C2 ZINC000640483002 361258085 /nfs/dbraw/zinc/25/80/85/361258085.db2.gz UINGQJFVUOTFOW-STQMWFEESA-N 1 3 224.348 0.929 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000579006073 366694074 /nfs/dbraw/zinc/69/40/74/366694074.db2.gz DQWSZGFKYSHHRH-AAEUAGOBSA-N 1 3 249.358 0.973 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000376990545 181327840 /nfs/dbraw/zinc/32/78/40/181327840.db2.gz JEUVRJSNXGJTNL-NSHDSACASA-N 1 3 239.363 0.906 20 0 BCADHO [NH3+]C1(C(=O)N[C@@H]2CCN(C3CC3)C2)CCCC1 ZINC000044726843 181327862 /nfs/dbraw/zinc/32/78/62/181327862.db2.gz NPWJVJBQXIVNHV-SNVBAGLBSA-N 1 3 237.347 0.611 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)N(CC)CC ZINC000428448340 201018526 /nfs/dbraw/zinc/01/85/26/201018526.db2.gz POWHPISUJQYZGR-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H](N)C1CCC1 ZINC000579228977 366739197 /nfs/dbraw/zinc/73/91/97/366739197.db2.gz UBZFMZNGVFACLK-WCABBAIRSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)N(C)C ZINC000428631440 201031197 /nfs/dbraw/zinc/03/11/97/201031197.db2.gz QLMXRYHOVWKSOV-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428950103 201051872 /nfs/dbraw/zinc/05/18/72/201051872.db2.gz DDVVLYLHULQPSB-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428954362 201052611 /nfs/dbraw/zinc/05/26/11/201052611.db2.gz IIEKNKOSGXTBCU-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@H]1CCC[NH2+]C1 ZINC000428981509 201054709 /nfs/dbraw/zinc/05/47/09/201054709.db2.gz QQONYHHDGJDOCX-WOPDTQHZSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)C(C)(C)C)[NH+](C)C ZINC000162624770 361358657 /nfs/dbraw/zinc/35/86/57/361358657.db2.gz METUBBRXATXZKJ-IUCAKERBSA-N 1 3 215.341 0.426 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429061998 201063204 /nfs/dbraw/zinc/06/32/04/201063204.db2.gz DAGPVJPBZVJWPN-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C1CCN(C)CC1 ZINC000429043751 201063223 /nfs/dbraw/zinc/06/32/23/201063223.db2.gz BKWQETNBPAGKFM-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)N(CC)CC ZINC000429082176 201065682 /nfs/dbraw/zinc/06/56/82/201065682.db2.gz RHJBSFSLCIBXBM-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429069031 201065928 /nfs/dbraw/zinc/06/59/28/201065928.db2.gz OURVRJBHQNGTKW-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N(CC)CC ZINC000429066477 201066326 /nfs/dbraw/zinc/06/63/26/201066326.db2.gz UMVOBXWRSIQFIK-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429104438 201068122 /nfs/dbraw/zinc/06/81/22/201068122.db2.gz OULCBUMIQJMFGQ-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000429173772 201077230 /nfs/dbraw/zinc/07/72/30/201077230.db2.gz BVHONIOSPQITJS-SRVKXCTJSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N(C)C ZINC000429162729 201077254 /nfs/dbraw/zinc/07/72/54/201077254.db2.gz YPLNIDAUQULIJF-UTUOFQBUSA-N 1 3 241.379 0.768 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429189009 201078856 /nfs/dbraw/zinc/07/88/56/201078856.db2.gz ATRJMORIIAZFKA-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)C1CCN(C)CC1 ZINC000429230873 201080455 /nfs/dbraw/zinc/08/04/55/201080455.db2.gz YMHDALBSVVSZGR-SNVBAGLBSA-N 1 3 227.352 0.300 20 0 BCADHO [NH3+]C1(CNC(=O)[C@]2(F)CCNC2)CCCCC1 ZINC000363762839 181331445 /nfs/dbraw/zinc/33/14/45/181331445.db2.gz WYDWDTUCVPYDJV-LBPRGKRZSA-N 1 3 243.326 0.466 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000579332966 366761268 /nfs/dbraw/zinc/76/12/68/366761268.db2.gz IQYNLMYBZORWMS-MNOVXSKESA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000579372642 366772490 /nfs/dbraw/zinc/77/24/90/366772490.db2.gz ITXXUCAGSNRFKI-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429539407 201113134 /nfs/dbraw/zinc/11/31/34/201113134.db2.gz KXRWZXFFUKDPCN-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CNC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539407 201113138 /nfs/dbraw/zinc/11/31/38/201113138.db2.gz KXRWZXFFUKDPCN-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CNC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539407 201113140 /nfs/dbraw/zinc/11/31/40/201113140.db2.gz KXRWZXFFUKDPCN-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(CC)CC ZINC000429557922 201116470 /nfs/dbraw/zinc/11/64/70/201116470.db2.gz DDPUOSSTCVVWFV-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCO[C@H](CN1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000629540239 361413786 /nfs/dbraw/zinc/41/37/86/361413786.db2.gz RMUJTUQODGWIBU-CHWSQXEVSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@H](C[N@@H+]1CCCO[C@H](CN)C1)C1CC1 ZINC000629540239 361413791 /nfs/dbraw/zinc/41/37/91/361413791.db2.gz RMUJTUQODGWIBU-CHWSQXEVSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@H](C[N@H+]1CCCO[C@H](CN)C1)C1CC1 ZINC000629540239 361413795 /nfs/dbraw/zinc/41/37/95/361413795.db2.gz RMUJTUQODGWIBU-CHWSQXEVSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)[NH3+] ZINC000429651247 201124974 /nfs/dbraw/zinc/12/49/74/201124974.db2.gz RTQDMXIFEDQIMM-AOOOYVTPSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429657899 201125049 /nfs/dbraw/zinc/12/50/49/201125049.db2.gz NCHPYLDGSDTYQC-GRYCIOLGSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535389 361409611 /nfs/dbraw/zinc/40/96/11/361409611.db2.gz CENWEXBLFQADPQ-FVCCEPFGSA-N 1 3 241.379 0.484 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535389 361409616 /nfs/dbraw/zinc/40/96/16/361409616.db2.gz CENWEXBLFQADPQ-FVCCEPFGSA-N 1 3 241.379 0.484 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535406 361409856 /nfs/dbraw/zinc/40/98/56/361409856.db2.gz CENWEXBLFQADPQ-MROQNXINSA-N 1 3 241.379 0.484 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535406 361409860 /nfs/dbraw/zinc/40/98/60/361409860.db2.gz CENWEXBLFQADPQ-MROQNXINSA-N 1 3 241.379 0.484 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429552118 201113833 /nfs/dbraw/zinc/11/38/33/201113833.db2.gz IALWHJAWVRJFPM-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629546195 361428122 /nfs/dbraw/zinc/42/81/22/361428122.db2.gz OXUHRYAHHXSKNE-YNEHKIRRSA-N 1 3 241.379 0.031 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629556386 361449721 /nfs/dbraw/zinc/44/97/21/361449721.db2.gz OXUHRYAHHXSKNE-AGIUHOORSA-N 1 3 241.379 0.031 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CCCN1C ZINC000629551157 361444452 /nfs/dbraw/zinc/44/44/52/361444452.db2.gz RRVPKEYWBUVIMU-ZDEQEGDKSA-N 1 3 241.379 0.423 20 0 BCADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)C1 ZINC000629554663 361444598 /nfs/dbraw/zinc/44/45/98/361444598.db2.gz MPTWSHVVEIRPEV-KIJLLGNVSA-N 1 3 242.363 0.753 20 0 BCADHO CN(CCOCC[NH3+])CCOC[C@@H]1CCCO1 ZINC000629579338 361465578 /nfs/dbraw/zinc/46/55/78/361465578.db2.gz SDBFNNYESRGCMQ-LBPRGKRZSA-N 1 3 246.351 0.089 20 0 BCADHO O[C@H](CN[C@@H]1[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000629579680 361466006 /nfs/dbraw/zinc/46/60/06/361466006.db2.gz OZFVHXOOVZCCDU-FVCCEPFGSA-N 1 3 224.348 0.831 20 0 BCADHO C[C@@H](F)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629580152 361466387 /nfs/dbraw/zinc/46/63/87/361466387.db2.gz NNMHMDWPJXDHDB-GHMZBOCLSA-N 1 3 218.316 0.781 20 0 BCADHO OC[C@@H]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629584164 361469062 /nfs/dbraw/zinc/46/90/62/361469062.db2.gz QAYUQNNLCIYXEU-FRRDWIJNSA-N 1 3 242.363 0.194 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000433179523 201164506 /nfs/dbraw/zinc/16/45/06/201164506.db2.gz YJUYTPCDQPHQHX-OUAUKWLOSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C)C1)N(C)C ZINC000629612504 361498822 /nfs/dbraw/zinc/49/88/22/361498822.db2.gz DLXYAASQOFJODU-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)N(C)C ZINC000629612825 361499291 /nfs/dbraw/zinc/49/92/91/361499291.db2.gz IJWMXDOBISQJJF-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000629613014 361501843 /nfs/dbraw/zinc/50/18/43/361501843.db2.gz HOXSCYWRVKUMHC-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000629612172 361501991 /nfs/dbraw/zinc/50/19/91/361501991.db2.gz WFYHEFWCSMRHSU-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000629615364 361503278 /nfs/dbraw/zinc/50/32/78/361503278.db2.gz OJXVBRHRYZJQDH-MXWKQRLJSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000629614993 361503290 /nfs/dbraw/zinc/50/32/90/361503290.db2.gz RDBYUVBZJQMECD-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)N(C)C ZINC000629615621 361505282 /nfs/dbraw/zinc/50/52/82/361505282.db2.gz WODQBZVDCTZIOZ-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N(C)C ZINC000629613709 361508145 /nfs/dbraw/zinc/50/81/45/361508145.db2.gz SBUBXXXVNBRNHQ-BBBLOLIVSA-N 1 3 231.315 0.224 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)[NH+](C)C ZINC000629614428 361509202 /nfs/dbraw/zinc/50/92/02/361509202.db2.gz JPNGBVUOYNPKPM-GMTAPVOTSA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)N(C)C ZINC000629614367 361509417 /nfs/dbraw/zinc/50/94/17/361509417.db2.gz HDDRQZYAROFELA-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]([NH3+])CC)N(C)C ZINC000629614378 361509899 /nfs/dbraw/zinc/50/98/99/361509899.db2.gz ZVXJZCVXXHQYRU-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)N(C)C ZINC000629614361 361510007 /nfs/dbraw/zinc/51/00/07/361510007.db2.gz HDDRQZYAROFELA-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO Cn1ccc(CNCCOCCC[NH3+])c1 ZINC000629677931 361600607 /nfs/dbraw/zinc/60/06/07/361600607.db2.gz JAYRWSQIZSDEOP-UHFFFAOYSA-N 1 3 211.309 0.480 20 0 BCADHO Cc1cn[nH]c1CN(C)CCOCC[NH3+] ZINC000629665051 361587698 /nfs/dbraw/zinc/58/76/98/361587698.db2.gz NCKLWCCUZMEDFF-UHFFFAOYSA-N 1 3 212.297 0.125 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153264389 201228049 /nfs/dbraw/zinc/22/80/49/201228049.db2.gz KQLNDRZXCIYYBS-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434707046 201235877 /nfs/dbraw/zinc/23/58/77/201235877.db2.gz PFZXBEVXLLRBQO-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434712116 201236059 /nfs/dbraw/zinc/23/60/59/201236059.db2.gz UEDDKRYXIAPOLE-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434712116 201236063 /nfs/dbraw/zinc/23/60/63/201236063.db2.gz UEDDKRYXIAPOLE-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000434712116 201236066 /nfs/dbraw/zinc/23/60/66/201236066.db2.gz UEDDKRYXIAPOLE-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCC[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234201 201256588 /nfs/dbraw/zinc/25/65/88/201256588.db2.gz FNOABCWBHTVEJR-MNOVXSKESA-N 1 3 225.336 0.467 20 0 BCADHO CCN(CC)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435239859 201256908 /nfs/dbraw/zinc/25/69/08/201256908.db2.gz LUFGSLKEPZFOOL-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)CCn1cc(C2=CC[NH2+]CC2)cn1 ZINC000629723306 361664649 /nfs/dbraw/zinc/66/46/49/361664649.db2.gz MGELTDZQHAONFJ-UHFFFAOYSA-N 1 3 220.320 0.821 20 0 BCADHO CCCC[C@@H](COC)NC[C@@H](O)C[NH+](C)C ZINC000154329836 201274724 /nfs/dbraw/zinc/27/47/24/201274724.db2.gz RCHXPAOHYUAZHN-NWDGAFQWSA-N 1 3 232.368 0.704 20 0 BCADHO C[C@@H]1[C@H](C)NCC[N@@H+]1CCCN1CCOCC1 ZINC000436067725 201308076 /nfs/dbraw/zinc/30/80/76/201308076.db2.gz URUGZSTUVVICNG-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1[C@H](C)NCC[N@H+]1CCCN1CCOCC1 ZINC000436067725 201308080 /nfs/dbraw/zinc/30/80/80/201308080.db2.gz URUGZSTUVVICNG-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1NCC[N@H+](CCCN2CCOCC2)[C@H]1C ZINC000436067728 201308632 /nfs/dbraw/zinc/30/86/32/201308632.db2.gz URUGZSTUVVICNG-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1NCC[N@@H+](CCCN2CCOCC2)[C@H]1C ZINC000436067728 201308637 /nfs/dbraw/zinc/30/86/37/201308637.db2.gz URUGZSTUVVICNG-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO NCC(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364182650 181350868 /nfs/dbraw/zinc/35/08/68/181350868.db2.gz NKRBDNRILTUOIE-GHMZBOCLSA-N 1 3 237.278 0.038 20 0 BCADHO NCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000229010260 181352122 /nfs/dbraw/zinc/35/21/22/181352122.db2.gz VVBCLSLPABRXBX-UHFFFAOYSA-N 1 3 247.342 0.510 20 0 BCADHO NCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000229010260 181352124 /nfs/dbraw/zinc/35/21/24/181352124.db2.gz VVBCLSLPABRXBX-UHFFFAOYSA-N 1 3 247.342 0.510 20 0 BCADHO NCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000237966624 181352146 /nfs/dbraw/zinc/35/21/46/181352146.db2.gz IQYDTZHUFLHPCU-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO NCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000309527626 181355753 /nfs/dbraw/zinc/35/57/53/181355753.db2.gz CSAGDBLHOXQJTM-UHFFFAOYSA-N 1 3 205.261 0.230 20 0 BCADHO [NH3+]CC1(C(=O)NCCN2CCCC2)CCCC1 ZINC000054129019 181358619 /nfs/dbraw/zinc/35/86/19/181358619.db2.gz YBMCIEIPQRPWIK-UHFFFAOYSA-N 1 3 239.363 0.718 20 0 BCADHO C[C@@H]1CC[C@@H]([NH2+]C2CCN(C)CC2)CN1 ZINC000398975524 364401069 /nfs/dbraw/zinc/40/10/69/364401069.db2.gz YRAYLTOECQEJFM-ZYHUDNBSSA-N 1 3 211.353 0.811 20 0 BCADHO COC[C@H](C)CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000398972655 364401291 /nfs/dbraw/zinc/40/12/91/364401291.db2.gz XELDRAKQWDYBJB-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO [NH3+]CC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336298305 181365065 /nfs/dbraw/zinc/36/50/65/181365065.db2.gz GMFKHLCPWONUSY-LBPRGKRZSA-N 1 3 237.347 0.420 20 0 BCADHO NC(=O)c1ccc(CN2CCC(C[NH3+])CC2)cc1 ZINC000044513493 181365645 /nfs/dbraw/zinc/36/56/45/181365645.db2.gz WEURRWITSNUWGL-UHFFFAOYSA-N 1 3 247.342 0.956 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000140259123 364523312 /nfs/dbraw/zinc/52/33/12/364523312.db2.gz HXZAQEZNAXPUCA-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]CCC(=O)NC1CCN(C2CC2)CC1 ZINC000037042442 181367272 /nfs/dbraw/zinc/36/72/72/181367272.db2.gz RIIXFWCWUVNOAE-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)N(C)C ZINC000615314875 364688092 /nfs/dbraw/zinc/68/80/92/364688092.db2.gz QARFTAWPPWQJPS-IJLUTSLNSA-N 1 3 241.379 0.878 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000336463690 181369427 /nfs/dbraw/zinc/36/94/27/181369427.db2.gz YYTQXPGFDUBRAT-UHFFFAOYSA-N 1 3 219.288 0.620 20 0 BCADHO [NH3+]CCCC(=O)N1CCN2CCC1CC2 ZINC000335461843 181371282 /nfs/dbraw/zinc/37/12/82/181371282.db2.gz CPBWMPLKRRJYKO-UHFFFAOYSA-N 1 3 211.309 0.032 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573447194 364834967 /nfs/dbraw/zinc/83/49/67/364834967.db2.gz BFDJADRTJMQATN-GARJFASQSA-N 1 3 225.336 0.182 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000573446126 364835459 /nfs/dbraw/zinc/83/54/59/364835459.db2.gz PLJOUUNFVCMIHV-IJLUTSLNSA-N 1 3 237.347 0.339 20 0 BCADHO Cc1ncc(C[NH2+]CCCN2CCC2)n1C ZINC000573460570 364840766 /nfs/dbraw/zinc/84/07/66/364840766.db2.gz VVGJMECBOKJYSJ-UHFFFAOYSA-N 1 3 222.336 0.914 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573562650 364862348 /nfs/dbraw/zinc/86/23/48/364862348.db2.gz AGTILRWZKHFUMX-ZDCRXTMVSA-N 1 3 225.336 0.310 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000573815695 364924384 /nfs/dbraw/zinc/92/43/84/364924384.db2.gz UBKKYKWKUITGOA-WCBMZHEXSA-N 1 3 213.325 0.228 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@@H](CN)c1ccccc1 ZINC000669511997 541422183 /nfs/dbraw/zinc/42/21/83/541422183.db2.gz RBGHGWBIBHVASG-LBPRGKRZSA-N 1 3 235.331 0.536 20 0 BCADHO [NH3+]CCCCCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368183723 181375298 /nfs/dbraw/zinc/37/52/98/181375298.db2.gz IHIVOUHIBKINNJ-QWRGUYRKSA-N 1 3 245.342 0.712 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CCC1CCOCC1 ZINC000574046941 364975034 /nfs/dbraw/zinc/97/50/34/364975034.db2.gz QSUVOAHGXJZTAO-CYBMUJFWSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)CCC1CCOCC1 ZINC000574046941 364975036 /nfs/dbraw/zinc/97/50/36/364975036.db2.gz QSUVOAHGXJZTAO-CYBMUJFWSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)CCC1CCOCC1 ZINC000574046941 364975039 /nfs/dbraw/zinc/97/50/39/364975039.db2.gz QSUVOAHGXJZTAO-CYBMUJFWSA-N 1 3 244.379 0.705 20 0 BCADHO CN[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574172774 365004075 /nfs/dbraw/zinc/00/40/75/365004075.db2.gz WAQIBYQTTWXAHI-OPRDCNLKSA-N 1 3 213.325 0.228 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)NCCC[NH3+] ZINC000304226920 181381785 /nfs/dbraw/zinc/38/17/85/181381785.db2.gz JKJBBINTCNWDFI-NSHDSACASA-N 1 3 227.352 0.749 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000574276319 365026405 /nfs/dbraw/zinc/02/64/05/365026405.db2.gz VIOZYYCHYUPBMA-CIUDSAMLSA-N 1 3 247.289 0.098 20 0 BCADHO COC[C@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000574311817 365034801 /nfs/dbraw/zinc/03/48/01/365034801.db2.gz BYTOSVVRCDJHKF-QWHCGFSZSA-N 1 3 244.379 0.848 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H](C)N1 ZINC000574319235 365036070 /nfs/dbraw/zinc/03/60/70/365036070.db2.gz PWDVMNDEUGLTJW-BWZBUEFSSA-N 1 3 235.278 0.178 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000574861919 365160362 /nfs/dbraw/zinc/16/03/62/365160362.db2.gz NGLJKVQCBPEVKT-ZJUUUORDSA-N 1 3 213.325 0.357 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000575057905 365180390 /nfs/dbraw/zinc/18/03/90/365180390.db2.gz VBDLBTXQCYAIAC-GFCCVEGCSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444179217 193039216 /nfs/dbraw/zinc/03/92/16/193039216.db2.gz YTGBDQPHAHTJKE-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C)CN1 ZINC000444265850 193043228 /nfs/dbraw/zinc/04/32/28/193043228.db2.gz RWLXTQXNHKPMBZ-DCQANWLSSA-N 1 3 237.347 0.195 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444269005 193043424 /nfs/dbraw/zinc/04/34/24/193043424.db2.gz SVIATWUEFQZOMC-GMTAPVOTSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)N(C)C ZINC000444267676 193043953 /nfs/dbraw/zinc/04/39/53/193043953.db2.gz MXZCJDINAQSTQZ-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000575309293 365283391 /nfs/dbraw/zinc/28/33/91/365283391.db2.gz LDGJIFCDMAOFTK-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000575923850 365416691 /nfs/dbraw/zinc/41/66/91/365416691.db2.gz NNLHJLDZCQHOGT-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000575923850 365416693 /nfs/dbraw/zinc/41/66/93/365416693.db2.gz NNLHJLDZCQHOGT-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CC[NH2+]CCCNC(=O)N[C@@H](C)CN(C)C ZINC000575853611 365385582 /nfs/dbraw/zinc/38/55/82/365385582.db2.gz GKAYNEPCPHFJBL-JTQLQIEISA-N 1 3 230.356 0.235 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000575869626 365396379 /nfs/dbraw/zinc/39/63/79/365396379.db2.gz DTBUWLWSAXOFJN-QXEWZRGKSA-N 1 3 215.341 0.746 20 0 BCADHO CSC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000575917324 365412207 /nfs/dbraw/zinc/41/22/07/365412207.db2.gz UYPWFQBEWVJSCJ-HBNTYKKESA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000575917324 365412212 /nfs/dbraw/zinc/41/22/12/365412212.db2.gz UYPWFQBEWVJSCJ-HBNTYKKESA-N 1 3 232.393 0.783 20 0 BCADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000576041115 365459455 /nfs/dbraw/zinc/45/94/55/365459455.db2.gz FGWRYKKGASPGCW-BDAKNGLRSA-N 1 3 221.304 0.670 20 0 BCADHO COC[C@H](O)C[NH2+]C1CC(N2CCCCC2)C1 ZINC000579583119 366889898 /nfs/dbraw/zinc/88/98/98/366889898.db2.gz DXOGCDCFWGBLAH-WXRRBKDZSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000579597162 366898981 /nfs/dbraw/zinc/89/89/81/366898981.db2.gz AVAFQZOLFYRKSM-LPEHRKFASA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000576106766 365488634 /nfs/dbraw/zinc/48/86/34/365488634.db2.gz LCQIKESMZZJJOL-GUBZILKMSA-N 1 3 213.325 0.167 20 0 BCADHO CN(CC[NH3+])C(=O)C[C@@H](N)c1ccccc1 ZINC000576106927 365488795 /nfs/dbraw/zinc/48/87/95/365488795.db2.gz WLOOEWHWTZNGCM-LLVKDONJSA-N 1 3 221.304 0.494 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)C2CC2)C1 ZINC000576122055 365492341 /nfs/dbraw/zinc/49/23/41/365492341.db2.gz VFWUTJGNWXZDGX-QJPTWQEYSA-N 1 3 212.337 0.864 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@H]1CC1(C)C)C1CC1 ZINC000379900374 541476446 /nfs/dbraw/zinc/47/64/46/541476446.db2.gz FGOUWUVTMWADKK-QWRGUYRKSA-N 1 3 212.337 0.830 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@H]1CC1(C)C)C1CC1 ZINC000379900374 541476448 /nfs/dbraw/zinc/47/64/48/541476448.db2.gz FGOUWUVTMWADKK-QWRGUYRKSA-N 1 3 212.337 0.830 20 0 BCADHO C[C@H]1CCN(CC(=O)NCCCC[NH+](C)C)C1 ZINC000581021521 367240018 /nfs/dbraw/zinc/24/00/18/367240018.db2.gz YIEIOKLVCLHYCZ-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCC1 ZINC000581311465 367339238 /nfs/dbraw/zinc/33/92/38/367339238.db2.gz KQMPEZQPVNHZPT-ZCFIWIBFSA-N 1 3 239.241 0.264 20 0 BCADHO FC(F)[C@H]1CNCCN1CC[C@@H]1CC[NH2+]C1 ZINC000581311179 367339643 /nfs/dbraw/zinc/33/96/43/367339643.db2.gz MAJWEXBSXPUUJV-VHSXEESVSA-N 1 3 233.306 0.525 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccncc1 ZINC000581187549 367287038 /nfs/dbraw/zinc/28/70/38/367287038.db2.gz CHHCULGWQUUZHK-CMPLNLGQSA-N 1 3 248.330 0.030 20 0 BCADHO COC[C@@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000581246791 367307427 /nfs/dbraw/zinc/30/74/27/367307427.db2.gz OJLDSZLVEQAERL-LBPRGKRZSA-N 1 3 244.379 0.705 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000381413937 367398156 /nfs/dbraw/zinc/39/81/56/367398156.db2.gz UFTWUORRUKLYDR-SECBINFHSA-N 1 3 215.341 0.476 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000381225911 367368165 /nfs/dbraw/zinc/36/81/65/367368165.db2.gz JVJHZBMVKCDQIB-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000581437606 367471122 /nfs/dbraw/zinc/47/11/22/367471122.db2.gz QSGIBFVJUHATSM-XQQFMLRXSA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C ZINC000581437606 367471125 /nfs/dbraw/zinc/47/11/25/367471125.db2.gz QSGIBFVJUHATSM-XQQFMLRXSA-N 1 3 243.395 0.323 20 0 BCADHO CCC[NH+]1CCC(NC[C@](C)(O)COC)CC1 ZINC000382565562 367540707 /nfs/dbraw/zinc/54/07/07/367540707.db2.gz NZNJKQJQKGRASV-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO C[C@@H]([NH3+])c1ccc(NC(=O)COC2CNC2)cc1 ZINC000581487731 367519206 /nfs/dbraw/zinc/51/92/06/367519206.db2.gz GDLULVYUAPIZCP-SECBINFHSA-N 1 3 249.314 0.633 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)NC1CC1 ZINC000382979684 367580111 /nfs/dbraw/zinc/58/01/11/367580111.db2.gz UBBALRASEQVEPK-UWVGGRQHSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1CC[NH+](C)CC1 ZINC000382990985 367583065 /nfs/dbraw/zinc/58/30/65/367583065.db2.gz YHCOVDYZAXFNLH-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](C)NC1CC1 ZINC000383370047 367617560 /nfs/dbraw/zinc/61/75/60/367617560.db2.gz ODJZAPGFKRYGJO-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CN[C@@H](C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000581617486 367638401 /nfs/dbraw/zinc/63/84/01/367638401.db2.gz TYQPFCFMVQRPIL-UNXYVOJBSA-N 1 3 241.379 0.831 20 0 BCADHO COC[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600685 367642691 /nfs/dbraw/zinc/64/26/91/367642691.db2.gz QCZWVLGCFBNUSA-QWHCGFSZSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600685 367642699 /nfs/dbraw/zinc/64/26/99/367642699.db2.gz QCZWVLGCFBNUSA-QWHCGFSZSA-N 1 3 244.379 0.702 20 0 BCADHO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000581608876 367631897 /nfs/dbraw/zinc/63/18/97/367631897.db2.gz IPZNLEQNJDOHRJ-ZDUSSCGKSA-N 1 3 247.342 0.904 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000581665746 367665120 /nfs/dbraw/zinc/66/51/20/367665120.db2.gz FEARBOWUHPQWOC-NAKRPEOUSA-N 1 3 242.367 0.504 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384840696 367741856 /nfs/dbraw/zinc/74/18/56/367741856.db2.gz TVOJYGVCQRFUSK-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000566200466 326011785 /nfs/dbraw/zinc/01/17/85/326011785.db2.gz WGVXFYTVSMJUBL-RKDXNWHRSA-N 1 3 213.325 0.099 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000566206122 326013264 /nfs/dbraw/zinc/01/32/64/326013264.db2.gz OXIHXWJSOWLDSD-VLEAKVRGSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000581883418 367874066 /nfs/dbraw/zinc/87/40/66/367874066.db2.gz FLQDJYCHFJCABG-OUAUKWLOSA-N 1 3 227.352 0.603 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](CO)C1CCCC1 ZINC000386377110 367958480 /nfs/dbraw/zinc/95/84/80/367958480.db2.gz QYZQPKFJWFDZSC-STQMWFEESA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](CO)C1CCCC1 ZINC000386377110 367958486 /nfs/dbraw/zinc/95/84/86/367958486.db2.gz QYZQPKFJWFDZSC-STQMWFEESA-N 1 3 244.379 0.440 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](CN)OC)cc1 ZINC000566250976 326024721 /nfs/dbraw/zinc/02/47/21/326024721.db2.gz NNEPMQAAZUHDBX-LLVKDONJSA-N 1 3 237.303 0.318 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@H]1CO ZINC000039118715 368273350 /nfs/dbraw/zinc/27/33/50/368273350.db2.gz UADKQUVEIVBWKQ-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@H]1CO ZINC000039118715 368273354 /nfs/dbraw/zinc/27/33/54/368273354.db2.gz UADKQUVEIVBWKQ-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000081018631 368566568 /nfs/dbraw/zinc/56/65/68/368566568.db2.gz FCVQJOTZNMDWEL-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)C[C@@H](CNC(N)=[NH2+])N1CCCC1 ZINC000066245077 368642883 /nfs/dbraw/zinc/64/28/83/368642883.db2.gz WDTHBMRWOMANPN-JTQLQIEISA-N 1 3 212.341 0.980 20 0 BCADHO CC[NH2+]CCCN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000567159325 326125626 /nfs/dbraw/zinc/12/56/26/326125626.db2.gz GBPQUCCNUZKTFK-QWHCGFSZSA-N 1 3 241.379 0.343 20 0 BCADHO CC[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374426 368750563 /nfs/dbraw/zinc/75/05/63/368750563.db2.gz WZSMDKQXBGEOCN-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000072860468 368782960 /nfs/dbraw/zinc/78/29/60/368782960.db2.gz MFUYQDVJVZBSAQ-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000072860468 368782961 /nfs/dbraw/zinc/78/29/61/368782961.db2.gz MFUYQDVJVZBSAQ-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO COCCOCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403783 368880255 /nfs/dbraw/zinc/88/02/55/368880255.db2.gz DDNLZTCYDMPVTG-QWRGUYRKSA-N 1 3 216.325 0.509 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@@H]2CCO[C@@H]2C)C[C@H]1CN ZINC000631828997 369004714 /nfs/dbraw/zinc/00/47/14/369004714.db2.gz DGKCEUVWELMZTJ-YVECIDJPSA-N 1 3 242.363 0.707 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@@H]2CCO[C@@H]2C)C[C@H]1CN ZINC000631828997 369004720 /nfs/dbraw/zinc/00/47/20/369004720.db2.gz DGKCEUVWELMZTJ-YVECIDJPSA-N 1 3 242.363 0.707 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@H]2CCO[C@@H]2C)C[C@H]1CN ZINC000631828994 369004738 /nfs/dbraw/zinc/00/47/38/369004738.db2.gz DGKCEUVWELMZTJ-FDYHWXHSSA-N 1 3 242.363 0.707 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@H]2CCO[C@@H]2C)C[C@H]1CN ZINC000631828994 369004740 /nfs/dbraw/zinc/00/47/40/369004740.db2.gz DGKCEUVWELMZTJ-FDYHWXHSSA-N 1 3 242.363 0.707 20 0 BCADHO COCCOCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838744 369122205 /nfs/dbraw/zinc/12/22/05/369122205.db2.gz UNSOWAVXWYRZMZ-GHMZBOCLSA-N 1 3 216.325 0.176 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCCOC1 ZINC000310410436 326192090 /nfs/dbraw/zinc/19/20/90/326192090.db2.gz OUUOOLRHGWVOOP-QWHCGFSZSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCCOC1 ZINC000310410436 326192092 /nfs/dbraw/zinc/19/20/92/326192092.db2.gz OUUOOLRHGWVOOP-QWHCGFSZSA-N 1 3 244.379 0.657 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000404961892 369441235 /nfs/dbraw/zinc/44/12/35/369441235.db2.gz KDWXQXFRBIQHOF-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCN1)C1CC1 ZINC000165603455 203385483 /nfs/dbraw/zinc/38/54/83/203385483.db2.gz BSOWTVUKSDCEEQ-NEPJUHHUSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H](C)N ZINC000166059119 203387707 /nfs/dbraw/zinc/38/77/07/203387707.db2.gz NQGWWFAHDKQRTL-KKOKHZNYSA-N 1 3 241.379 0.816 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000619900449 369631626 /nfs/dbraw/zinc/63/16/26/369631626.db2.gz VLNPZGXKIYKILX-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000619900449 369631629 /nfs/dbraw/zinc/63/16/29/369631629.db2.gz VLNPZGXKIYKILX-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CCC[NH3+])C1 ZINC000567982572 326290963 /nfs/dbraw/zinc/29/09/63/326290963.db2.gz BMSOQPTZTUQZJC-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CO)[C@@H]1C ZINC000568181189 326321849 /nfs/dbraw/zinc/32/18/49/326321849.db2.gz MZCXNXPJVVAYNQ-XQQFMLRXSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CO)[C@@H]1C ZINC000568181189 326321850 /nfs/dbraw/zinc/32/18/50/326321850.db2.gz MZCXNXPJVVAYNQ-XQQFMLRXSA-N 1 3 244.379 0.392 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310364556 370339895 /nfs/dbraw/zinc/33/98/95/370339895.db2.gz LNUKMLTWUXMPBR-RKDXNWHRSA-N 1 3 249.305 0.427 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310364556 370339900 /nfs/dbraw/zinc/33/99/00/370339900.db2.gz LNUKMLTWUXMPBR-RKDXNWHRSA-N 1 3 249.305 0.427 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310364550 370340483 /nfs/dbraw/zinc/34/04/83/370340483.db2.gz LNUKMLTWUXMPBR-BDAKNGLRSA-N 1 3 249.305 0.427 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310364550 370340489 /nfs/dbraw/zinc/34/04/89/370340489.db2.gz LNUKMLTWUXMPBR-BDAKNGLRSA-N 1 3 249.305 0.427 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684392 370431355 /nfs/dbraw/zinc/43/13/55/370431355.db2.gz LSQZKWTTYFNFBS-SCVCMEIPSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)(N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684139 370433837 /nfs/dbraw/zinc/43/38/37/370433837.db2.gz IAPLZAOKDKXZSZ-LDYMZIIASA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684727 370434828 /nfs/dbraw/zinc/43/48/28/370434828.db2.gz RKMLWHDJRIDUFF-KKZNHRDASA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684726 370435075 /nfs/dbraw/zinc/43/50/75/370435075.db2.gz RKMLWHDJRIDUFF-IQJOONFLSA-N 1 3 211.309 0.064 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621785012 370538113 /nfs/dbraw/zinc/53/81/13/370538113.db2.gz XSVQCGNSSZLQOO-JQWIXIFHSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621785012 370538118 /nfs/dbraw/zinc/53/81/18/370538118.db2.gz XSVQCGNSSZLQOO-JQWIXIFHSA-N 1 3 225.336 0.278 20 0 BCADHO CC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000568651015 326371166 /nfs/dbraw/zinc/37/11/66/326371166.db2.gz GAKOZCLFBHLHEN-TUAOUCFPSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120197 371319893 /nfs/dbraw/zinc/31/98/93/371319893.db2.gz UHPCJRNVALJYSH-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120197 371319898 /nfs/dbraw/zinc/31/98/98/371319898.db2.gz UHPCJRNVALJYSH-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120197 371319904 /nfs/dbraw/zinc/31/99/04/371319904.db2.gz UHPCJRNVALJYSH-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2COCCN2C)CC[N@@H+]1C ZINC000624174263 371365335 /nfs/dbraw/zinc/36/53/35/371365335.db2.gz UVCCXYHPXAQQDR-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2COCCN2C)CC[N@H+]1C ZINC000624174263 371365340 /nfs/dbraw/zinc/36/53/40/371365340.db2.gz UVCCXYHPXAQQDR-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO Cc1noc(CCCN2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631837064 372627370 /nfs/dbraw/zinc/62/73/70/372627370.db2.gz MJHGGDLPEDEBRP-MWLCHTKSSA-N 1 3 238.335 0.837 20 0 BCADHO C[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000631840317 372636087 /nfs/dbraw/zinc/63/60/87/372636087.db2.gz BQMWGXZVDJHDJR-ZYHUDNBSSA-N 1 3 235.331 0.412 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@H](N)C[C@@H]1C ZINC000631860547 372659816 /nfs/dbraw/zinc/65/98/16/372659816.db2.gz KVTHWBYQGPRUMA-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@H](N)C[C@@H]1C ZINC000631860547 372659822 /nfs/dbraw/zinc/65/98/22/372659822.db2.gz KVTHWBYQGPRUMA-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631825885 372603854 /nfs/dbraw/zinc/60/38/54/372603854.db2.gz XVWWUDNZUBWDPB-JQWIXIFHSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@@]1(CN)CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825885 372603858 /nfs/dbraw/zinc/60/38/58/372603858.db2.gz XVWWUDNZUBWDPB-JQWIXIFHSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@@]1(CN)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825885 372603862 /nfs/dbraw/zinc/60/38/62/372603862.db2.gz XVWWUDNZUBWDPB-JQWIXIFHSA-N 1 3 235.335 0.436 20 0 BCADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@@H]1CCOC1 ZINC000631867292 372669524 /nfs/dbraw/zinc/66/95/24/372669524.db2.gz OZXYOJISZVMKHJ-TUAOUCFPSA-N 1 3 210.321 0.755 20 0 BCADHO C([C@@H]1CNCCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891069 372686062 /nfs/dbraw/zinc/68/60/62/372686062.db2.gz VUYBRZWKMAAZRC-AGIUHOORSA-N 1 3 239.363 0.049 20 0 BCADHO COC[C@H](CN1CCC[C@H]2C[NH2+]CC[C@@H]21)OC ZINC000631890549 372687148 /nfs/dbraw/zinc/68/71/48/372687148.db2.gz QHFOHYLJZYIZOE-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@@H+]1CCC[C@H]2CNCC[C@@H]21)OC ZINC000631890549 372687154 /nfs/dbraw/zinc/68/71/54/372687154.db2.gz QHFOHYLJZYIZOE-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@H+]1CCC[C@H]2CNCC[C@@H]21)OC ZINC000631890549 372687162 /nfs/dbraw/zinc/68/71/62/372687162.db2.gz QHFOHYLJZYIZOE-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000042166074 182018116 /nfs/dbraw/zinc/01/81/16/182018116.db2.gz VMKLELDPQVFLIP-NSHDSACASA-N 1 3 225.336 0.341 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCN(C2CC2)C1 ZINC000044726697 182028434 /nfs/dbraw/zinc/02/84/34/182028434.db2.gz PVGSQDHCMWNFJX-MNOVXSKESA-N 1 3 237.347 0.481 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632862291 373196910 /nfs/dbraw/zinc/19/69/10/373196910.db2.gz AQVSPPMBZHSXGL-NEPJUHHUSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632877942 373202261 /nfs/dbraw/zinc/20/22/61/373202261.db2.gz OEMRDTVXUKIANY-ZYHUDNBSSA-N 1 3 237.347 0.339 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169033027 205507382 /nfs/dbraw/zinc/50/73/82/205507382.db2.gz NOBNJLNNGAMAKA-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO CO[C@H](C)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000381628178 374136490 /nfs/dbraw/zinc/13/64/90/374136490.db2.gz NETWEFVFNDJIBQ-VXGBXAGGSA-N 1 3 230.352 0.458 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428149958 206021926 /nfs/dbraw/zinc/02/19/26/206021926.db2.gz IAHLLOYLHIHPAO-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCCC[C@H]1C ZINC000424129660 206031642 /nfs/dbraw/zinc/03/16/42/206031642.db2.gz GJVGWLNDALQWTP-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000446280509 206089672 /nfs/dbraw/zinc/08/96/72/206089672.db2.gz IPWRLLLEKWYRQL-AXFHLTTASA-N 1 3 243.326 0.143 20 0 BCADHO OCC[NH+]1CCC(CNCc2ncc[nH]2)CC1 ZINC000330672534 183071526 /nfs/dbraw/zinc/07/15/26/183071526.db2.gz XQGCHPNXIVFSFT-UHFFFAOYSA-N 1 3 238.335 0.204 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)C(C)C ZINC000309360370 169002255 /nfs/dbraw/zinc/00/22/55/169002255.db2.gz AITLKUFBWTZSAA-NXEZZACHSA-N 1 3 215.341 0.603 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000132020258 169002407 /nfs/dbraw/zinc/00/24/07/169002407.db2.gz QLSPJOBNKIFZFP-GHMZBOCLSA-N 1 3 227.352 0.762 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C1(N)CCOCC1 ZINC000338134205 169002414 /nfs/dbraw/zinc/00/24/14/169002414.db2.gz NJCFJVBPOGUYHY-SNVBAGLBSA-N 1 3 243.351 0.128 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360815665 169005786 /nfs/dbraw/zinc/00/57/86/169005786.db2.gz DSKRARZLMGAGKN-AAEUAGOBSA-N 1 3 239.363 0.716 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000336753023 169006046 /nfs/dbraw/zinc/00/60/46/169006046.db2.gz WDTPBUVHEGQWNE-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089358 169007233 /nfs/dbraw/zinc/00/72/33/169007233.db2.gz JMVMNPFQGAIKFE-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309406668 169007671 /nfs/dbraw/zinc/00/76/71/169007671.db2.gz IAPDXXASQYLHBW-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000309091869 169007897 /nfs/dbraw/zinc/00/78/97/169007897.db2.gz BLGLUTWDGBWYLC-BDAKNGLRSA-N 1 3 201.314 0.357 20 0 BCADHO OC[C@H]1[C@@H]2C[N@H+](CCCN3CCCC3)C[C@H]12 ZINC000368334411 183133118 /nfs/dbraw/zinc/13/31/18/183133118.db2.gz WKZHTDJFSRKSBU-ITGUQSILSA-N 1 3 224.348 0.642 20 0 BCADHO OC[C@H]1[C@@H]2C[N@@H+](CCCN3CCCC3)C[C@H]12 ZINC000368334411 183133120 /nfs/dbraw/zinc/13/31/20/183133120.db2.gz WKZHTDJFSRKSBU-ITGUQSILSA-N 1 3 224.348 0.642 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000359258240 169068176 /nfs/dbraw/zinc/06/81/76/169068176.db2.gz DDNCIPAIZTUOKN-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000359254189 169070387 /nfs/dbraw/zinc/07/03/87/169070387.db2.gz SPDHKLVJAWEIJR-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C ZINC000309653827 169073232 /nfs/dbraw/zinc/07/32/32/169073232.db2.gz UVAHUYXYVWCEKK-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357290712 169073269 /nfs/dbraw/zinc/07/32/69/169073269.db2.gz DIDGNZGUYHMXLM-DMDPSCGWSA-N 1 3 241.379 0.831 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000236762344 169078289 /nfs/dbraw/zinc/07/82/89/169078289.db2.gz PANRKCKJPVFITN-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000236762344 169078291 /nfs/dbraw/zinc/07/82/91/169078291.db2.gz PANRKCKJPVFITN-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359398419 169067283 /nfs/dbraw/zinc/06/72/83/169067283.db2.gz XRLBDMXLIUMPMW-GHMZBOCLSA-N 1 3 225.336 0.006 20 0 BCADHO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)N)CC1 ZINC000038100754 169186459 /nfs/dbraw/zinc/18/64/59/169186459.db2.gz UESDLQADMJTXJA-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CCCN1CCC([NH2+][C@@H](C)C(=O)NCC)CC1 ZINC000035136283 169189323 /nfs/dbraw/zinc/18/93/23/169189323.db2.gz BVAXHLGFALFTQB-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178809327 134315259 /nfs/dbraw/zinc/31/52/59/134315259.db2.gz GWWCQXYTMSWICK-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346134899 169199860 /nfs/dbraw/zinc/19/98/60/169199860.db2.gz KKPAKTYDPUGOCM-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(N)=O)C1 ZINC000336751240 169206713 /nfs/dbraw/zinc/20/67/13/169206713.db2.gz CESKDRMLDRUDRE-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(N)=O)C1 ZINC000336751240 169206715 /nfs/dbraw/zinc/20/67/15/169206715.db2.gz CESKDRMLDRUDRE-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000336751240 169206717 /nfs/dbraw/zinc/20/67/17/169206717.db2.gz CESKDRMLDRUDRE-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[NH2+]CCNC(=O)C1(N)CCCCC1 ZINC000154346192 169258288 /nfs/dbraw/zinc/25/82/88/169258288.db2.gz ZUEUABYUQSOLOQ-UHFFFAOYSA-N 1 3 227.352 0.764 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514400 169246246 /nfs/dbraw/zinc/24/62/46/169246246.db2.gz JGZXEGCDBPWCOO-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815575 134315783 /nfs/dbraw/zinc/31/57/83/134315783.db2.gz HSDPWMBBRFGBOA-NXEZZACHSA-N 1 3 213.325 0.147 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815575 134315784 /nfs/dbraw/zinc/31/57/84/134315784.db2.gz HSDPWMBBRFGBOA-NXEZZACHSA-N 1 3 213.325 0.147 20 0 BCADHO C[NH2+]C[C@@H]1CCN([C@@H](C)CCOC)C1 ZINC000221284196 134322559 /nfs/dbraw/zinc/32/25/59/134322559.db2.gz VRLADSUTZSUZFZ-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000221284196 134322560 /nfs/dbraw/zinc/32/25/60/134322560.db2.gz VRLADSUTZSUZFZ-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000221284196 134322561 /nfs/dbraw/zinc/32/25/61/134322561.db2.gz VRLADSUTZSUZFZ-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CC1(CNC(=O)[C@]2(F)CCNC2)CC[NH2+]CC1 ZINC000183367858 134350972 /nfs/dbraw/zinc/35/09/72/134350972.db2.gz VBHKIYYQIDIOHD-LBPRGKRZSA-N 1 3 243.326 0.194 20 0 BCADHO O=C(C1CC[NH2+]CC1)N1CCN2CCC[C@@H]2C1 ZINC000037812575 383862025 /nfs/dbraw/zinc/86/20/25/383862025.db2.gz GQIMEQAUJLHCFL-GFCCVEGCSA-N 1 3 237.347 0.293 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000309319040 383876965 /nfs/dbraw/zinc/87/69/65/383876965.db2.gz ZTTAOFLPMSWUTN-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000309319040 383876977 /nfs/dbraw/zinc/87/69/77/383876977.db2.gz ZTTAOFLPMSWUTN-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC(C(=O)NC2(C[NH3+])CCCC2)CC1 ZINC000237104942 383890045 /nfs/dbraw/zinc/89/00/45/383890045.db2.gz GKVNJTZXFCAIBV-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@H]1CN(C(=O)C2(N)CCCC2)CC[C@H]1[NH3+] ZINC000648126047 383983155 /nfs/dbraw/zinc/98/31/55/383983155.db2.gz YURHIDVJXIUHCR-WDEREUQCSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000357237134 383966645 /nfs/dbraw/zinc/96/66/45/383966645.db2.gz GHOKVZJMNQAXNP-MFKMUULPSA-N 1 3 247.342 0.727 20 0 BCADHO CO[C@@H]1CCC[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643542398 383966730 /nfs/dbraw/zinc/96/67/30/383966730.db2.gz KOPUKQDLWBUIQB-YNEHKIRRSA-N 1 3 242.363 0.912 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392900 383970713 /nfs/dbraw/zinc/97/07/13/383970713.db2.gz TWWFBWXKECPGTA-UTUOFQBUSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H]1C ZINC000648127730 384052583 /nfs/dbraw/zinc/05/25/83/384052583.db2.gz UFYGFMVANOARFT-LPEHRKFASA-N 1 3 225.336 0.193 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN1CCC(C)(C)C1 ZINC000565959174 384032199 /nfs/dbraw/zinc/03/21/99/384032199.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN1CCC(C)(C)C1 ZINC000565959174 384032206 /nfs/dbraw/zinc/03/22/06/384032206.db2.gz KOQZTHDATOYURB-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000648140879 384171003 /nfs/dbraw/zinc/17/10/03/384171003.db2.gz OUULJCFBMRHZBZ-UWVGGRQHSA-N 1 3 245.342 0.568 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC2(C1)CC[NH2+]CC2 ZINC000310496852 384182510 /nfs/dbraw/zinc/18/25/10/384182510.db2.gz IJXAOPXEEQFZQJ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)C)CC1 ZINC000082475027 384230975 /nfs/dbraw/zinc/23/09/75/384230975.db2.gz DZPPXPVITAZPNC-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N)CC[N@@H+]1C ZINC000132923046 384213347 /nfs/dbraw/zinc/21/33/47/384213347.db2.gz GWTDEJXCYCNVQR-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N)CC[N@H+]1C ZINC000132923046 384213353 /nfs/dbraw/zinc/21/33/53/384213353.db2.gz GWTDEJXCYCNVQR-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C12CCCN1CCC2 ZINC000566213675 384224254 /nfs/dbraw/zinc/22/42/54/384224254.db2.gz AAMPYALOONCNTB-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CNCCC1(F)F ZINC000644164356 384245637 /nfs/dbraw/zinc/24/56/37/384245637.db2.gz HSTNLZYJDLDCKK-YIZRAAEISA-N 1 3 247.289 0.179 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000648144484 384266016 /nfs/dbraw/zinc/26/60/16/384266016.db2.gz DRKWJRBDTNJWBI-DTWKUNHWSA-N 1 3 249.305 0.475 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000516925446 384308731 /nfs/dbraw/zinc/30/87/31/384308731.db2.gz REFMGVISOZUSAL-MIMYLULJSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773198 384294228 /nfs/dbraw/zinc/29/42/28/384294228.db2.gz NAVSNAVGFMAKOW-RHYQMDGZSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773198 384294230 /nfs/dbraw/zinc/29/42/30/384294230.db2.gz NAVSNAVGFMAKOW-RHYQMDGZSA-N 1 3 237.347 0.276 20 0 BCADHO COCCOCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397338437 384298656 /nfs/dbraw/zinc/29/86/56/384298656.db2.gz ZEDIGUHTEZIZBC-XQQFMLRXSA-N 1 3 244.379 0.955 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335600046 384369211 /nfs/dbraw/zinc/36/92/11/384369211.db2.gz FLBRPQSEKICQQT-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000262676991 384404548 /nfs/dbraw/zinc/40/45/48/384404548.db2.gz SUIYMEZWKVNYPX-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCCNCC1)[C@H](C)[NH3+] ZINC000335603410 384375779 /nfs/dbraw/zinc/37/57/79/384375779.db2.gz HSCQFFCCSHMCCU-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000335607762 384385904 /nfs/dbraw/zinc/38/59/04/384385904.db2.gz AKLZCFQQXUNZMT-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(CCNC(=O)[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000248983191 384445576 /nfs/dbraw/zinc/44/55/76/384445576.db2.gz FXERRLMPWAGLDD-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000648145234 384446127 /nfs/dbraw/zinc/44/61/27/384446127.db2.gz VBMMZCVLNUREPN-BIIVOSGPSA-N 1 3 235.278 0.083 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248631217 384434325 /nfs/dbraw/zinc/43/43/25/384434325.db2.gz PDUURGHFJVLASK-YFKTTZPYSA-N 1 3 239.363 0.556 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000648144976 384437550 /nfs/dbraw/zinc/43/75/50/384437550.db2.gz TVOQCAJEOREWKB-NXEZZACHSA-N 1 3 247.342 0.335 20 0 BCADHO C[C@@H]1CC[N@H+](CCN2CCNCC2)[C@H]1C ZINC000335653175 384439427 /nfs/dbraw/zinc/43/94/27/384439427.db2.gz WCIRDCCNTNBJFF-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1CC[N@@H+](CCN2CCNCC2)[C@H]1C ZINC000335653175 384439436 /nfs/dbraw/zinc/43/94/36/384439436.db2.gz WCIRDCCNTNBJFF-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000648144977 384439727 /nfs/dbraw/zinc/43/97/27/384439727.db2.gz TVOQCAJEOREWKB-UWVGGRQHSA-N 1 3 247.342 0.335 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000648180463 384466448 /nfs/dbraw/zinc/46/64/48/384466448.db2.gz CIRBVFIIORSMFR-SECBINFHSA-N 1 3 223.320 0.269 20 0 BCADHO NC1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000648180464 384468258 /nfs/dbraw/zinc/46/82/58/384468258.db2.gz CIRBVFIIORSMFR-VIFPVBQESA-N 1 3 223.320 0.269 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000163726836 384498901 /nfs/dbraw/zinc/49/89/01/384498901.db2.gz OVYVEFKIJPVTPL-NEPJUHHUSA-N 1 3 222.336 0.990 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648147017 384501355 /nfs/dbraw/zinc/50/13/55/384501355.db2.gz WLWYZDJRKDILAP-ITGUQSILSA-N 1 3 243.310 0.694 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037484147 384505425 /nfs/dbraw/zinc/50/54/25/384505425.db2.gz ZPNTVKWFQUGPAH-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037484147 384505427 /nfs/dbraw/zinc/50/54/27/384505427.db2.gz ZPNTVKWFQUGPAH-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368181492 384489621 /nfs/dbraw/zinc/48/96/21/384489621.db2.gz VOHHKVRNVWUMHX-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@@H]2C1 ZINC000648169116 384518238 /nfs/dbraw/zinc/51/82/38/384518238.db2.gz YEQXMUFETLDFFY-KIJLLGNVSA-N 1 3 249.358 0.004 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC ZINC000249626303 384519284 /nfs/dbraw/zinc/51/92/84/384519284.db2.gz UCHSGKKDRQIREP-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC ZINC000249626303 384519287 /nfs/dbraw/zinc/51/92/87/384519287.db2.gz UCHSGKKDRQIREP-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO C(C[C@@H]1CCOC1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400602316 384520923 /nfs/dbraw/zinc/52/09/23/384520923.db2.gz TWXJQQOYPMJJSN-JHJVBQTASA-N 1 3 224.348 0.954 20 0 BCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236649851 384543784 /nfs/dbraw/zinc/54/37/84/384543784.db2.gz VUCFRUWGVVZNCW-GFCCVEGCSA-N 1 3 229.368 0.816 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)C(C)(C)N ZINC000236710851 384554639 /nfs/dbraw/zinc/55/46/39/384554639.db2.gz VMJCLJXFQGPROX-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)C(C)(C)N ZINC000236710851 384554645 /nfs/dbraw/zinc/55/46/45/384554645.db2.gz VMJCLJXFQGPROX-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO C[N@H+](C[C@@H](O)CNCC1(CO)CCC1)C1CC1 ZINC000647523506 384554978 /nfs/dbraw/zinc/55/49/78/384554978.db2.gz RQHOOJHONNEOLM-LBPRGKRZSA-N 1 3 242.363 0.194 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCC1(CO)CCC1)C1CC1 ZINC000647523506 384554986 /nfs/dbraw/zinc/55/49/86/384554986.db2.gz RQHOOJHONNEOLM-LBPRGKRZSA-N 1 3 242.363 0.194 20 0 BCADHO CCN(CC)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236842869 384590421 /nfs/dbraw/zinc/59/04/21/384590421.db2.gz MNIVHKJWTOONEC-LBPRGKRZSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975862 384583456 /nfs/dbraw/zinc/58/34/56/384583456.db2.gz KRCJJIAHBZYZTD-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975862 384583463 /nfs/dbraw/zinc/58/34/63/384583463.db2.gz KRCJJIAHBZYZTD-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236837743 384588487 /nfs/dbraw/zinc/58/84/87/384588487.db2.gz GTMLFNUQUVWHDW-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1C[C@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000157872440 384601131 /nfs/dbraw/zinc/60/11/31/384601131.db2.gz TXXCPWOVVMIACV-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[C@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000157872440 384601135 /nfs/dbraw/zinc/60/11/35/384601135.db2.gz TXXCPWOVVMIACV-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000042288187 384638324 /nfs/dbraw/zinc/63/83/24/384638324.db2.gz GCPFYBLAYINSJC-NSHDSACASA-N 1 3 221.304 0.021 20 0 BCADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CN ZINC000335345309 384640778 /nfs/dbraw/zinc/64/07/78/384640778.db2.gz NTKAWKCKTGSOSG-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449595561 384652324 /nfs/dbraw/zinc/65/23/24/384652324.db2.gz UPIPMFDCNKRXJO-VGMNWLOBSA-N 1 3 201.314 0.212 20 0 BCADHO N[C@@H](CC(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901481 384652522 /nfs/dbraw/zinc/65/25/22/384652522.db2.gz AFZCADGRYJJDGL-LBPRGKRZSA-N 1 3 233.315 0.412 20 0 BCADHO NC[C@@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901543 384652623 /nfs/dbraw/zinc/65/26/23/384652623.db2.gz DFWGIQXXFXJGBW-GFCCVEGCSA-N 1 3 233.315 0.065 20 0 BCADHO NC[C@H](C(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901544 384652761 /nfs/dbraw/zinc/65/27/61/384652761.db2.gz DFWGIQXXFXJGBW-LBPRGKRZSA-N 1 3 233.315 0.065 20 0 BCADHO COCCN1CCC(OCCC[NH3+])CC1 ZINC000086723752 384679686 /nfs/dbraw/zinc/67/96/86/384679686.db2.gz FFUIMDBCZVOUGE-UHFFFAOYSA-N 1 3 216.325 0.463 20 0 BCADHO COC[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000300359982 384686652 /nfs/dbraw/zinc/68/66/52/384686652.db2.gz QVNOYBUESTUPKG-UTUOFQBUSA-N 1 3 230.352 0.720 20 0 BCADHO COC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000300359982 384686658 /nfs/dbraw/zinc/68/66/58/384686658.db2.gz QVNOYBUESTUPKG-UTUOFQBUSA-N 1 3 230.352 0.720 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932343 384722639 /nfs/dbraw/zinc/72/26/39/384722639.db2.gz MHILTEGARHRASF-LPEHRKFASA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932343 384722647 /nfs/dbraw/zinc/72/26/47/384722647.db2.gz MHILTEGARHRASF-LPEHRKFASA-N 1 3 211.309 0.029 20 0 BCADHO CC(C)(N)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000647549670 384747868 /nfs/dbraw/zinc/74/78/68/384747868.db2.gz LQDFNDIYISFXSL-LLVKDONJSA-N 1 3 234.347 0.987 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)C1(N)CC1 ZINC000083355673 384761316 /nfs/dbraw/zinc/76/13/16/384761316.db2.gz XEVKMMHLJJNMPN-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000449629235 384761847 /nfs/dbraw/zinc/76/18/47/384761847.db2.gz FETOXZFWDVHDRG-WOPDTQHZSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H](CN[C@H]1CCO[C@@H]1C)C[NH+](C)C ZINC000308575049 384823445 /nfs/dbraw/zinc/82/34/45/384823445.db2.gz MCWOREXRKRJMNR-MXWKQRLJSA-N 1 3 200.326 0.951 20 0 BCADHO [NH3+]Cc1ccc(CNC(=O)CNC2CC2)cc1 ZINC000648202439 384825419 /nfs/dbraw/zinc/82/54/19/384825419.db2.gz QNCRRDZTOLUPDQ-UHFFFAOYSA-N 1 3 233.315 0.514 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CCCn1ccnc1 ZINC000518200694 384790433 /nfs/dbraw/zinc/79/04/33/384790433.db2.gz PDSXHJJUKOORGD-GFCCVEGCSA-N 1 3 240.351 0.175 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)CCCn1ccnc1 ZINC000518200694 384790439 /nfs/dbraw/zinc/79/04/39/384790439.db2.gz PDSXHJJUKOORGD-GFCCVEGCSA-N 1 3 240.351 0.175 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)CCCn1ccnc1 ZINC000518200694 384790447 /nfs/dbraw/zinc/79/04/47/384790447.db2.gz PDSXHJJUKOORGD-GFCCVEGCSA-N 1 3 240.351 0.175 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089361 384792090 /nfs/dbraw/zinc/79/20/90/384792090.db2.gz UOFYPLZWXIIIHA-MWLCHTKSSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000648190311 384803129 /nfs/dbraw/zinc/80/31/29/384803129.db2.gz QJJAKLMTFQWDPW-DJLDLDEBSA-N 1 3 249.305 0.473 20 0 BCADHO CC[C@H](CN[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040016 384809908 /nfs/dbraw/zinc/80/99/08/384809908.db2.gz XNJFFPVEXGARQC-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC(=O)CNC1CC1 ZINC000557190362 384873478 /nfs/dbraw/zinc/87/34/78/384873478.db2.gz MBUQXHCRWCRQEI-VIFPVBQESA-N 1 3 213.325 0.228 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449668853 384875358 /nfs/dbraw/zinc/87/53/58/384875358.db2.gz USIRTMIPCSVCRE-RKDXNWHRSA-N 1 3 249.305 0.488 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236934635 384851197 /nfs/dbraw/zinc/85/11/97/384851197.db2.gz FMZPHROJMMDADC-USWWRNFRSA-N 1 3 241.379 0.816 20 0 BCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](N)CC ZINC000236936040 384853251 /nfs/dbraw/zinc/85/32/51/384853251.db2.gz RTWNMKYKXQZFHE-MNOVXSKESA-N 1 3 245.367 0.197 20 0 BCADHO Cn1ccc(CNCCCC[NH+](C)C)n1 ZINC000112344344 384857442 /nfs/dbraw/zinc/85/74/42/384857442.db2.gz JDNMDIOVNGLARE-UHFFFAOYSA-N 1 3 210.325 0.852 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H](C)NC2CC2)CC1 ZINC000564941403 384908092 /nfs/dbraw/zinc/90/80/92/384908092.db2.gz RMJRMKBNAQIQHK-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+]C1CCN(C(=O)[C@@H]2CNCCC2(F)F)CC1 ZINC000647603264 384921064 /nfs/dbraw/zinc/92/10/64/384921064.db2.gz KZUGAGGAUYKUMX-VIFPVBQESA-N 1 3 247.289 0.181 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)C1CCN(C)CC1 ZINC000257752898 384925007 /nfs/dbraw/zinc/92/50/07/384925007.db2.gz MMIDTTLSHLUKHS-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000257362116 384925446 /nfs/dbraw/zinc/92/54/46/384925446.db2.gz AEXFFJPCAWSWDI-ZDCRXTMVSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000257362116 384925453 /nfs/dbraw/zinc/92/54/53/384925453.db2.gz AEXFFJPCAWSWDI-ZDCRXTMVSA-N 1 3 223.320 0.077 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000226086314 384930588 /nfs/dbraw/zinc/93/05/88/384930588.db2.gz YRGDUHRTSZKUQO-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NCCC(N)=O ZINC000644569335 384967506 /nfs/dbraw/zinc/96/75/06/384967506.db2.gz ITSOUXZNCWAFBA-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCCNCC2)CC[N@@H+]1C ZINC000647615251 384968312 /nfs/dbraw/zinc/96/83/12/384968312.db2.gz YQPAMJCMXRJXOV-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCCNCC2)CC[N@H+]1C ZINC000647615251 384968318 /nfs/dbraw/zinc/96/83/18/384968318.db2.gz YQPAMJCMXRJXOV-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CCN1CCN(CCCC[NH2+]C[C@@H](C)O)CC1 ZINC000644562765 384969459 /nfs/dbraw/zinc/96/94/59/384969459.db2.gz YMMHWCGAOSPSOK-CYBMUJFWSA-N 1 3 243.395 0.375 20 0 BCADHO CC[NH+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000557481185 384969571 /nfs/dbraw/zinc/96/95/71/384969571.db2.gz HPFNRPDJCAUFLY-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC1CCN(C)CC1 ZINC000165101347 384975205 /nfs/dbraw/zinc/97/52/05/384975205.db2.gz XQYGFVYQCUFAHS-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000226398689 385007655 /nfs/dbraw/zinc/00/76/55/385007655.db2.gz NXFLQGNHFNVOAH-JQWIXIFHSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000226398333 385008488 /nfs/dbraw/zinc/00/84/88/385008488.db2.gz NXFLQGNHFNVOAH-CMPLNLGQSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)N(C)C1CC1 ZINC000226398805 385008699 /nfs/dbraw/zinc/00/86/99/385008699.db2.gz ZGOLJVGELNXKHG-GWCFXTLKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398091 385009305 /nfs/dbraw/zinc/00/93/05/385009305.db2.gz RGZVHDIDRCORHI-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398091 385009315 /nfs/dbraw/zinc/00/93/15/385009315.db2.gz RGZVHDIDRCORHI-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO [NH3+]CC1CCN(CCOC[C@H]2CCCO2)CC1 ZINC000518376521 385011818 /nfs/dbraw/zinc/01/18/18/385011818.db2.gz WBFNJFMWDIMIGH-CYBMUJFWSA-N 1 3 242.363 0.853 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226741924 385047740 /nfs/dbraw/zinc/04/77/40/385047740.db2.gz ZQZRPYIDITVDRC-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](C(=O)N1CCN[C@H](C)C1)[NH+](C)C ZINC000189021675 385065765 /nfs/dbraw/zinc/06/57/65/385065765.db2.gz AMFJPGXWRVUKLI-ZJUUUORDSA-N 1 3 213.325 0.147 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648165749 385066556 /nfs/dbraw/zinc/06/65/56/385066556.db2.gz ARIVOACSUSZOGV-GDNZZTSVSA-N 1 3 237.347 0.004 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000564931631 385082279 /nfs/dbraw/zinc/08/22/79/385082279.db2.gz JVKNFRXJFDQDJP-TUAOUCFPSA-N 1 3 237.347 0.149 20 0 BCADHO CC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000308764101 385083169 /nfs/dbraw/zinc/08/31/69/385083169.db2.gz ZOOPTECBLOQZNN-JTQLQIEISA-N 1 3 200.326 0.831 20 0 BCADHO CN(Cc1cnccn1)CC1CC[NH2+]CC1 ZINC000086703066 385040749 /nfs/dbraw/zinc/04/07/49/385040749.db2.gz NCWZPYYOARHFKZ-UHFFFAOYSA-N 1 3 220.320 0.908 20 0 BCADHO N[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985255 385111939 /nfs/dbraw/zinc/11/19/39/385111939.db2.gz VIDZKSLIMPXVOL-MNOVXSKESA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646989802 385117960 /nfs/dbraw/zinc/11/79/60/385117960.db2.gz OVXQMYWPZOJUBR-MRVPVSSYSA-N 1 3 219.288 0.253 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988418 385120868 /nfs/dbraw/zinc/12/08/68/385120868.db2.gz PBPHBWOQKLNEDF-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)C1C[NH2+]C1 ZINC000164625227 385122909 /nfs/dbraw/zinc/12/29/09/385122909.db2.gz NCWAWMUEDQAAQF-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]([NH3+])CN1CCN(C2CCCC2)CC1 ZINC000052061181 385124947 /nfs/dbraw/zinc/12/49/47/385124947.db2.gz JEUYGQYDGRGZJD-NSHDSACASA-N 1 3 211.353 0.894 20 0 BCADHO C[C@H](CNC(=O)[C@H](CN)c1ccccc1)[NH+](C)C ZINC000061612327 385126286 /nfs/dbraw/zinc/12/62/86/385126286.db2.gz RKICKXZXDBQDNA-DGCLKSJQSA-N 1 3 249.358 0.795 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000566246842 385142105 /nfs/dbraw/zinc/14/21/05/385142105.db2.gz GSCKEXYBAOFWQD-VLEAKVRGSA-N 1 3 227.352 0.556 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000061610895 385127174 /nfs/dbraw/zinc/12/71/74/385127174.db2.gz GKIRDGFRYGYFKH-CYBMUJFWSA-N 1 3 249.358 0.797 20 0 BCADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH3+] ZINC000647009790 385133564 /nfs/dbraw/zinc/13/35/64/385133564.db2.gz IYRRTQRTTOUAAZ-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000647001664 385138198 /nfs/dbraw/zinc/13/81/98/385138198.db2.gz JBELOHLLVKOTMH-BBBLOLIVSA-N 1 3 225.336 0.099 20 0 BCADHO COCCOCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404887996 385138429 /nfs/dbraw/zinc/13/84/29/385138429.db2.gz JRULVOSNHZZWDG-ZJUUUORDSA-N 1 3 216.325 0.365 20 0 BCADHO COCCOCC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404887996 385138431 /nfs/dbraw/zinc/13/84/31/385138431.db2.gz JRULVOSNHZZWDG-ZJUUUORDSA-N 1 3 216.325 0.365 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CC[C@@H]1[NH3+] ZINC000647015037 385139467 /nfs/dbraw/zinc/13/94/67/385139467.db2.gz FWPNTEZBARMFRR-OUAUKWLOSA-N 1 3 239.363 0.570 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](CCCC(=O)NC)C1 ZINC000559642315 385100781 /nfs/dbraw/zinc/10/07/81/385100781.db2.gz WWFZHXFDUUDBMX-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](CCCC(=O)NC)C1 ZINC000559642315 385100785 /nfs/dbraw/zinc/10/07/85/385100785.db2.gz WWFZHXFDUUDBMX-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000647049788 385187551 /nfs/dbraw/zinc/18/75/51/385187551.db2.gz FWVNWGFLJQUSMR-SECBINFHSA-N 1 3 249.314 0.844 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054858 385192291 /nfs/dbraw/zinc/19/22/91/385192291.db2.gz ARCHLUQGBIUAMX-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973196 385199148 /nfs/dbraw/zinc/19/91/48/385199148.db2.gz GIZJKDOPRBUTCK-MNOVXSKESA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000062964615 385199200 /nfs/dbraw/zinc/19/92/00/385199200.db2.gz QXOJLBIVVAQDPR-CYBMUJFWSA-N 1 3 247.342 0.921 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000647020798 385148914 /nfs/dbraw/zinc/14/89/14/385148914.db2.gz MVPATAPCZLIGKR-ONGXEEELSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000647022760 385155599 /nfs/dbraw/zinc/15/55/99/385155599.db2.gz DUJRJFCODSDYKX-ONGXEEELSA-N 1 3 221.304 0.540 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000647023253 385155896 /nfs/dbraw/zinc/15/58/96/385155896.db2.gz UZERCWFLRLEGIP-MRVPVSSYSA-N 1 3 219.288 0.367 20 0 BCADHO CC(C)[NH+](CCCNC(=O)[C@H](C)N)C(C)C ZINC000157386676 385159033 /nfs/dbraw/zinc/15/90/33/385159033.db2.gz BXANHOKSZGUUJN-NSHDSACASA-N 1 3 229.368 0.959 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026441 385161074 /nfs/dbraw/zinc/16/10/74/385161074.db2.gz WEYDSKWBQNQYFT-GHMZBOCLSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000647030174 385162598 /nfs/dbraw/zinc/16/25/98/385162598.db2.gz GWSUIFHFHBDFDP-CMPLNLGQSA-N 1 3 227.352 0.557 20 0 BCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(C)CC1 ZINC000336357285 385165152 /nfs/dbraw/zinc/16/51/52/385165152.db2.gz YLNDTNQTATUXGY-LLVKDONJSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C)CC1 ZINC000336357285 385165156 /nfs/dbraw/zinc/16/51/56/385165156.db2.gz YLNDTNQTATUXGY-LLVKDONJSA-N 1 3 239.363 0.491 20 0 BCADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CN ZINC000165643561 385168268 /nfs/dbraw/zinc/16/82/68/385168268.db2.gz SKWSRGYEOILFFG-GFCCVEGCSA-N 1 3 235.331 0.234 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](N)CC(F)F ZINC000308849319 385211213 /nfs/dbraw/zinc/21/12/13/385211213.db2.gz QPXYRKNSYMFZMT-SSDOTTSWSA-N 1 3 223.267 0.037 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](N)CC(F)F ZINC000308849319 385211217 /nfs/dbraw/zinc/21/12/17/385211217.db2.gz QPXYRKNSYMFZMT-SSDOTTSWSA-N 1 3 223.267 0.037 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000569124522 385240667 /nfs/dbraw/zinc/24/06/67/385240667.db2.gz SJMYKKQYBBYCML-NNYUYHANSA-N 1 3 237.347 0.276 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000647082975 385243178 /nfs/dbraw/zinc/24/31/78/385243178.db2.gz XNUJWQMSUVPFIO-OPRDCNLKSA-N 1 3 225.336 0.228 20 0 BCADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000647058254 385203657 /nfs/dbraw/zinc/20/36/57/385203657.db2.gz YWVFNPHCEIIABB-DCAQKATOSA-N 1 3 243.326 0.335 20 0 BCADHO CN1CCC([NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000037887372 385320900 /nfs/dbraw/zinc/32/09/00/385320900.db2.gz ANYBVQLMLNVZLW-CYBMUJFWSA-N 1 3 241.379 0.127 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)N(C)C ZINC000157804101 385287536 /nfs/dbraw/zinc/28/75/36/385287536.db2.gz NBTGIKMMBQHYPW-QWRGUYRKSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)CC[NH3+])C1 ZINC000164997523 385335218 /nfs/dbraw/zinc/33/52/18/385335218.db2.gz UJFVDJDDAXPZPY-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000643973994 385336683 /nfs/dbraw/zinc/33/66/83/385336683.db2.gz QTQXHLCFWJJPTR-DTWKUNHWSA-N 1 3 247.289 0.181 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131827578 385361723 /nfs/dbraw/zinc/36/17/23/385361723.db2.gz SRYYSXFVJOQQTI-STQMWFEESA-N 1 3 247.342 0.802 20 0 BCADHO CNCc1ccccc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000647657199 385363204 /nfs/dbraw/zinc/36/32/04/385363204.db2.gz SCGNMCZKQCVHQT-PJXYFTJBSA-N 1 3 245.326 0.810 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406531 385367474 /nfs/dbraw/zinc/36/74/74/385367474.db2.gz GZQSHSCCIZROTM-CHWSQXEVSA-N 1 3 247.342 0.425 20 0 BCADHO CCOC[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000309049627 385384243 /nfs/dbraw/zinc/38/42/43/385384243.db2.gz QDGRGRPAUWHTBH-WDEREUQCSA-N 1 3 216.325 0.068 20 0 BCADHO CCOC[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000309049627 385384246 /nfs/dbraw/zinc/38/42/46/385384246.db2.gz QDGRGRPAUWHTBH-WDEREUQCSA-N 1 3 216.325 0.068 20 0 BCADHO CO[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151183 385327297 /nfs/dbraw/zinc/32/72/97/385327297.db2.gz QKQGKGQFUKMCMH-SDDRHHMPSA-N 1 3 210.321 0.563 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000644065953 385412998 /nfs/dbraw/zinc/41/29/98/385412998.db2.gz ZEWGQWVQNATJAY-OUAUKWLOSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000644078912 385421532 /nfs/dbraw/zinc/42/15/32/385421532.db2.gz UILGNPMSZQVLHX-ZJUUUORDSA-N 1 3 225.336 0.100 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000644078911 385421611 /nfs/dbraw/zinc/42/16/11/385421611.db2.gz UILGNPMSZQVLHX-VHSXEESVSA-N 1 3 225.336 0.100 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CCC1 ZINC000309162410 385442875 /nfs/dbraw/zinc/44/28/75/385442875.db2.gz ZOOGRNHAXVAKBR-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCC1 ZINC000309162410 385442878 /nfs/dbraw/zinc/44/28/78/385442878.db2.gz ZOOGRNHAXVAKBR-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000170786960 385445704 /nfs/dbraw/zinc/44/57/04/385445704.db2.gz UNLCLHFFUMZYRM-OLZOCXBDSA-N 1 3 247.342 0.506 20 0 BCADHO CCCN(C(=O)[C@H]1NCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000644085361 385430788 /nfs/dbraw/zinc/43/07/88/385430788.db2.gz XYDUNQSJJDJYJX-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN(C(=O)[C@H]1NCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000644085364 385431010 /nfs/dbraw/zinc/43/10/10/385431010.db2.gz XYDUNQSJJDJYJX-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1CNCCC1(F)F ZINC000644083137 385431790 /nfs/dbraw/zinc/43/17/90/385431790.db2.gz VFPNGFWYFDQCSK-IUCAKERBSA-N 1 3 247.289 0.099 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1CNCCC1(F)F ZINC000644083138 385432532 /nfs/dbraw/zinc/43/25/32/385432532.db2.gz VFPNGFWYFDQCSK-RKDXNWHRSA-N 1 3 247.289 0.099 20 0 BCADHO CCN(CC)CC(=O)NCCC[NH2+]C ZINC000120999251 385457435 /nfs/dbraw/zinc/45/74/35/385457435.db2.gz CWMSXTNEXBKDKO-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCO1 ZINC000309201039 385475663 /nfs/dbraw/zinc/47/56/63/385475663.db2.gz AIWBQTATCFBJJS-NEPJUHHUSA-N 1 3 230.352 0.722 20 0 BCADHO C[C@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364564424 385476176 /nfs/dbraw/zinc/47/61/76/385476176.db2.gz XCVPWJNIAFNZHT-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364561431 385477134 /nfs/dbraw/zinc/47/71/34/385477134.db2.gz NWFYHTHLJNSLMM-LSCVPOLPSA-N 1 3 239.363 0.985 20 0 BCADHO CN(CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364599226 385478611 /nfs/dbraw/zinc/47/86/11/385478611.db2.gz KRRHFKJQYFCHDR-AAEUAGOBSA-N 1 3 237.347 0.196 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000110653819 385495563 /nfs/dbraw/zinc/49/55/63/385495563.db2.gz UZJAUGSRDOBBAF-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000110653819 385495564 /nfs/dbraw/zinc/49/55/64/385495564.db2.gz UZJAUGSRDOBBAF-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCc1cn[nH]c1 ZINC000405345659 385507629 /nfs/dbraw/zinc/50/76/29/385507629.db2.gz GIMSMPSWNVWMQG-ZJUUUORDSA-N 1 3 208.309 0.668 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145974 385536560 /nfs/dbraw/zinc/53/65/60/385536560.db2.gz WTJYQSIEVGXQAC-UWVGGRQHSA-N 1 3 237.347 0.243 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000309381428 385558816 /nfs/dbraw/zinc/55/88/16/385558816.db2.gz RODXZURHJPLDEI-HBNTYKKESA-N 1 3 226.320 0.609 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)C(C)(C)C ZINC000309400664 385571386 /nfs/dbraw/zinc/57/13/86/385571386.db2.gz VFSMYSVJXKRUHU-BDAKNGLRSA-N 1 3 215.341 0.459 20 0 BCADHO C[N@H+](CCNC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000336649279 385591310 /nfs/dbraw/zinc/59/13/10/385591310.db2.gz GVBPWFTWZZYKEI-MRVPVSSYSA-N 1 3 235.278 0.179 20 0 BCADHO C[N@@H+](CCNC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000336649279 385591314 /nfs/dbraw/zinc/59/13/14/385591314.db2.gz GVBPWFTWZZYKEI-MRVPVSSYSA-N 1 3 235.278 0.179 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(CCn2cccn2)C1 ZINC000082651674 385627165 /nfs/dbraw/zinc/62/71/65/385627165.db2.gz XRGJNIPRTRWWDF-RYUDHWBXSA-N 1 3 222.336 0.942 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309514283 385647460 /nfs/dbraw/zinc/64/74/60/385647460.db2.gz YFDBYBRBRVPDKF-ONGXEEELSA-N 1 3 215.341 0.603 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000337448904 385667105 /nfs/dbraw/zinc/66/71/05/385667105.db2.gz HACJXDNJNAPBRK-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648348 385731124 /nfs/dbraw/zinc/73/11/24/385731124.db2.gz NFJTWCYJOQVWQP-GRYCIOLGSA-N 1 3 228.336 0.068 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648348 385731128 /nfs/dbraw/zinc/73/11/28/385731128.db2.gz NFJTWCYJOQVWQP-GRYCIOLGSA-N 1 3 228.336 0.068 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648348 385731134 /nfs/dbraw/zinc/73/11/34/385731134.db2.gz NFJTWCYJOQVWQP-GRYCIOLGSA-N 1 3 228.336 0.068 20 0 BCADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H]2CN)n1 ZINC000647801388 385810339 /nfs/dbraw/zinc/81/03/39/385810339.db2.gz UJIUQCASSQZIOG-WDEREUQCSA-N 1 3 237.351 0.465 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000521434419 385829189 /nfs/dbraw/zinc/82/91/89/385829189.db2.gz XNKBIOONMUIGPB-GUBZILKMSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000521434422 385829986 /nfs/dbraw/zinc/82/99/86/385829986.db2.gz XNKBIOONMUIGPB-UTLUCORTSA-N 1 3 225.336 0.323 20 0 BCADHO Cc1ccc(O)c(CNC[C@@H](C)C[NH3+])n1 ZINC000414869752 385838476 /nfs/dbraw/zinc/83/84/76/385838476.db2.gz BFNCILNQVOYIRO-QMMMGPOBSA-N 1 3 209.293 0.780 20 0 BCADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647804249 385841411 /nfs/dbraw/zinc/84/14/11/385841411.db2.gz MRMBPIUUUWZDPR-RMPHRYRLSA-N 1 3 228.336 0.506 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000638114147 385848870 /nfs/dbraw/zinc/84/88/70/385848870.db2.gz HLDBLCCNLJHGQV-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CCN1C ZINC000638114383 385849260 /nfs/dbraw/zinc/84/92/60/385849260.db2.gz IGXGTRUSQJWWCJ-ADEWGFFLSA-N 1 3 237.347 0.633 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647845303 385885924 /nfs/dbraw/zinc/88/59/24/385885924.db2.gz USNMXVBPQDOXNY-DGCLKSJQSA-N 1 3 249.358 0.945 20 0 BCADHO CC(C)([NH3+])CCC(=O)N1CCNCC1(C)C ZINC000647839781 385887296 /nfs/dbraw/zinc/88/72/96/385887296.db2.gz DINMNMUPFKNFLL-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N2CCNCC2(C)C)CC[NH2+]1 ZINC000647841383 385888779 /nfs/dbraw/zinc/88/87/79/385888779.db2.gz OTQTZTDISCRVDH-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO COC(C)(C)[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000340200711 385902901 /nfs/dbraw/zinc/90/29/01/385902901.db2.gz RDDJKOZQFVZQHE-RYUDHWBXSA-N 1 3 244.379 0.846 20 0 BCADHO CN(Cc1ccn(C)c(=O)c1)CC(C)(C)C[NH3+] ZINC000647857548 385906428 /nfs/dbraw/zinc/90/64/28/385906428.db2.gz DCYOMUFJGIDEHM-UHFFFAOYSA-N 1 3 237.347 0.802 20 0 BCADHO Cn1ccc(C[N@H+](C)CC(C)(C)CN)cc1=O ZINC000647857548 385906432 /nfs/dbraw/zinc/90/64/32/385906432.db2.gz DCYOMUFJGIDEHM-UHFFFAOYSA-N 1 3 237.347 0.802 20 0 BCADHO Cn1ccc(C[N@@H+](C)CC(C)(C)CN)cc1=O ZINC000647857548 385906434 /nfs/dbraw/zinc/90/64/34/385906434.db2.gz DCYOMUFJGIDEHM-UHFFFAOYSA-N 1 3 237.347 0.802 20 0 BCADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(N)=O ZINC000353208840 385908753 /nfs/dbraw/zinc/90/87/53/385908753.db2.gz OOJUHFLMSUNJCJ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(N)=O ZINC000353208840 385908758 /nfs/dbraw/zinc/90/87/58/385908758.db2.gz OOJUHFLMSUNJCJ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000295185949 385988398 /nfs/dbraw/zinc/98/83/98/385988398.db2.gz IEVKSNIGUJNRNX-VXGBXAGGSA-N 1 3 235.331 0.410 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000309263624 386001725 /nfs/dbraw/zinc/00/17/25/386001725.db2.gz QTVXHKCTBXYRHE-NSHDSACASA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]CCOCCNC(=O)[C@H](N)CCC(C)C ZINC000638575081 386002908 /nfs/dbraw/zinc/00/29/08/386002908.db2.gz JUBSZSDLQMMADH-LLVKDONJSA-N 1 3 245.367 0.102 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133683 386109962 /nfs/dbraw/zinc/10/99/62/386109962.db2.gz KRKLMZNOTKSVBV-GFCCVEGCSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133683 386109964 /nfs/dbraw/zinc/10/99/64/386109964.db2.gz KRKLMZNOTKSVBV-GFCCVEGCSA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1 ZINC000054133502 386110523 /nfs/dbraw/zinc/11/05/23/386110523.db2.gz XZZNENGXDKXBNS-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1 ZINC000054133502 386110529 /nfs/dbraw/zinc/11/05/29/386110529.db2.gz XZZNENGXDKXBNS-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H](CCO)COC)[C@@H](C)C1 ZINC000345239847 386074984 /nfs/dbraw/zinc/07/49/84/386074984.db2.gz IMPGKHGOHPWNSX-XQQFMLRXSA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H](CCO)COC)[C@@H](C)C1 ZINC000345239847 386074988 /nfs/dbraw/zinc/07/49/88/386074988.db2.gz IMPGKHGOHPWNSX-XQQFMLRXSA-N 1 3 244.379 0.704 20 0 BCADHO CCN1CC[C@@H]([NH2+]CCNCCOC)[C@@H](C)C1 ZINC000414887614 386091180 /nfs/dbraw/zinc/09/11/80/386091180.db2.gz QSFBLTPZUJRKRE-QWHCGFSZSA-N 1 3 243.395 0.542 20 0 BCADHO C[C@H]1C[C@@H](CN(C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674210 386147369 /nfs/dbraw/zinc/14/73/69/386147369.db2.gz DHYQIGNQUGHCKR-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CCN(CCNC(=O)NCCC[NH2+]C)C1CC1 ZINC000417489972 386155559 /nfs/dbraw/zinc/15/55/59/386155559.db2.gz RAFVWJDRTMCUEX-UHFFFAOYSA-N 1 3 242.367 0.379 20 0 BCADHO C[C@@H]1C[C@@H](CN[C@H]2CNCCC2(F)F)CC[NH2+]1 ZINC000414993533 386165903 /nfs/dbraw/zinc/16/59/03/386165903.db2.gz CMRWTSRLUDEDPQ-VWYCJHECSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@]1(CNC[C@@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993213 386166392 /nfs/dbraw/zinc/16/63/92/386166392.db2.gz CGJQVYHPTYOMMR-WDEREUQCSA-N 1 3 247.333 0.820 20 0 BCADHO C[C@H](CN(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC000346225333 386175830 /nfs/dbraw/zinc/17/58/30/386175830.db2.gz OGOYGEIGJTVGTN-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000346229976 386176088 /nfs/dbraw/zinc/17/60/88/386176088.db2.gz SUGRZBMCZUUYGI-SDDRHHMPSA-N 1 3 241.379 0.926 20 0 BCADHO COC[C@@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000338781531 386139030 /nfs/dbraw/zinc/13/90/30/386139030.db2.gz CBZNCOGBESDYJS-LBPRGKRZSA-N 1 3 244.379 0.846 20 0 BCADHO COC(=O)[C@]1(C)CCN(CCC[NH3+])C1 ZINC000414702259 386207838 /nfs/dbraw/zinc/20/78/38/386207838.db2.gz IENWKAHBWMABHS-SNVBAGLBSA-N 1 3 200.282 0.220 20 0 BCADHO CCCN(CC(=O)NC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414700659 386208357 /nfs/dbraw/zinc/20/83/57/386208357.db2.gz ZQAYSWPENXAVQV-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@H](CO)OC[C@@H]2C)CC[NH2+]1 ZINC000414702531 386210956 /nfs/dbraw/zinc/21/09/56/386210956.db2.gz HWOIFBPMCMMHRT-YVECIDJPSA-N 1 3 242.363 0.456 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N(C)C ZINC000132324607 386229157 /nfs/dbraw/zinc/22/91/57/386229157.db2.gz QYGIULZZLMPCDX-NXEZZACHSA-N 1 3 213.325 0.132 20 0 BCADHO CNC(=O)CCC[N@H+](C)C[C@H](N)CC(C)C ZINC000414712973 386230427 /nfs/dbraw/zinc/23/04/27/386230427.db2.gz VBDLAOYUVYQIPN-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CNC(=O)CCC[N@@H+](C)C[C@H](N)CC(C)C ZINC000414712973 386230428 /nfs/dbraw/zinc/23/04/28/386230428.db2.gz VBDLAOYUVYQIPN-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695886 386195324 /nfs/dbraw/zinc/19/53/24/386195324.db2.gz AAWLUDCHGWVTPG-NEPJUHHUSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695886 386195329 /nfs/dbraw/zinc/19/53/29/386195329.db2.gz AAWLUDCHGWVTPG-NEPJUHHUSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@@H](CO)C1 ZINC000414696734 386197140 /nfs/dbraw/zinc/19/71/40/386197140.db2.gz QFJXZLQQGGPFJG-GHMZBOCLSA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@@H](CO)C1 ZINC000414696734 386197143 /nfs/dbraw/zinc/19/71/43/386197143.db2.gz QFJXZLQQGGPFJG-GHMZBOCLSA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)(C[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000335263390 386291594 /nfs/dbraw/zinc/29/15/94/386291594.db2.gz FREMZCIHWHOXGC-UHFFFAOYSA-N 1 3 233.315 0.757 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000091394749 386296730 /nfs/dbraw/zinc/29/67/30/386296730.db2.gz QUFBNGMEXYDFKV-WCQYABFASA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000091395557 386297935 /nfs/dbraw/zinc/29/79/35/386297935.db2.gz CSFWBTFQVVCCQT-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCCCN1 ZINC000180896779 386305110 /nfs/dbraw/zinc/30/51/10/386305110.db2.gz QVVCCEXXAOYVTG-PWSUYJOCSA-N 1 3 225.336 0.387 20 0 BCADHO C[C@@H]1NCCN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H]1C ZINC000331942015 386308954 /nfs/dbraw/zinc/30/89/54/386308954.db2.gz XRXGWSJEGLIOLS-ATZCPNFKSA-N 1 3 240.351 0.116 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1[C@@H](CO)CC[C@H]1CO ZINC000347282433 386317202 /nfs/dbraw/zinc/31/72/02/386317202.db2.gz AXNCCSSEMFQACG-RWMBFGLXSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1[C@@H](CO)CC[C@H]1CO ZINC000347282433 386317204 /nfs/dbraw/zinc/31/72/04/386317204.db2.gz AXNCCSSEMFQACG-RWMBFGLXSA-N 1 3 242.363 0.288 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000339134257 386264660 /nfs/dbraw/zinc/26/46/60/386264660.db2.gz UCGCEPAXYKLIEY-UWVGGRQHSA-N 1 3 215.341 0.297 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CCN1C ZINC000133150210 386279131 /nfs/dbraw/zinc/27/91/31/386279131.db2.gz KYPUKFULLNOADH-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000336682191 386341714 /nfs/dbraw/zinc/34/17/14/386341714.db2.gz CZFGOAQJSAVZLC-CYBMUJFWSA-N 1 3 241.379 0.202 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000336682191 386341721 /nfs/dbraw/zinc/34/17/21/386341721.db2.gz CZFGOAQJSAVZLC-CYBMUJFWSA-N 1 3 241.379 0.202 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417547077 386347092 /nfs/dbraw/zinc/34/70/92/386347092.db2.gz GNWRBISWPXJGPU-UWVGGRQHSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000417547561 386347679 /nfs/dbraw/zinc/34/76/79/386347679.db2.gz HAXAFPLWDQPYNZ-ZJUUUORDSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000417547559 386347930 /nfs/dbraw/zinc/34/79/30/386347930.db2.gz HAXAFPLWDQPYNZ-UWVGGRQHSA-N 1 3 242.367 0.458 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000336732009 386356257 /nfs/dbraw/zinc/35/62/57/386356257.db2.gz ZBPFADARIPVKAF-SECBINFHSA-N 1 3 249.305 0.569 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000336732009 386356264 /nfs/dbraw/zinc/35/62/64/386356264.db2.gz ZBPFADARIPVKAF-SECBINFHSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C1CC1 ZINC000417553480 386358253 /nfs/dbraw/zinc/35/82/53/386358253.db2.gz UHDJQRRPUZWOGO-VIFPVBQESA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])N(C)C1CC1 ZINC000417554556 386362591 /nfs/dbraw/zinc/36/25/91/386362591.db2.gz WITVKXQTRBXAGT-KXUCPTDWSA-N 1 3 242.367 0.504 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC000112925365 386370203 /nfs/dbraw/zinc/37/02/03/386370203.db2.gz VOEHFWILCMKJIK-UHFFFAOYSA-N 1 3 215.341 0.395 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC000112925365 386370209 /nfs/dbraw/zinc/37/02/09/386370209.db2.gz VOEHFWILCMKJIK-UHFFFAOYSA-N 1 3 215.341 0.395 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000112926163 386370493 /nfs/dbraw/zinc/37/04/93/386370493.db2.gz KEOHANAPRNOQCV-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000112926163 386370498 /nfs/dbraw/zinc/37/04/98/386370498.db2.gz KEOHANAPRNOQCV-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417556168 386379577 /nfs/dbraw/zinc/37/95/77/386379577.db2.gz ZXYODESCDDWLOO-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CC ZINC000226396709 386386049 /nfs/dbraw/zinc/38/60/49/386386049.db2.gz OASMTCGHOTUGGY-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CC ZINC000226396709 386386053 /nfs/dbraw/zinc/38/60/53/386386053.db2.gz OASMTCGHOTUGGY-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@@H](C)CN1C ZINC000647989046 386332856 /nfs/dbraw/zinc/33/28/56/386332856.db2.gz BOLBIWGLRPDUGO-GRYCIOLGSA-N 1 3 211.353 0.620 20 0 BCADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@H](C)CN1C ZINC000647989048 386334194 /nfs/dbraw/zinc/33/41/94/386334194.db2.gz BOLBIWGLRPDUGO-UTUOFQBUSA-N 1 3 211.353 0.620 20 0 BCADHO CC(C)[C@H](C(=O)NCCOCCC[NH3+])N(C)C ZINC000638660647 386337762 /nfs/dbraw/zinc/33/77/62/386337762.db2.gz GSYPXTMLLCSGAW-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)NCC[NH3+] ZINC000417043675 386439041 /nfs/dbraw/zinc/43/90/41/386439041.db2.gz XLSXBALKLNQTQV-JTQLQIEISA-N 1 3 228.340 0.119 20 0 BCADHO CC[NH+](CC)CCNC(=O)N1CCCNCC1 ZINC000416804189 386394689 /nfs/dbraw/zinc/39/46/89/386394689.db2.gz WHPJILBJVFOUSK-UHFFFAOYSA-N 1 3 242.367 0.333 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)N(C)CC[NH3+] ZINC000417579840 386409017 /nfs/dbraw/zinc/40/90/17/386409017.db2.gz BTQAFHVGHDEBRG-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@H](C)O[C@H](CO)C2)CC[NH2+]1 ZINC000414759396 386409996 /nfs/dbraw/zinc/40/99/96/386409996.db2.gz OERQXWCSONKEJI-XQHKEYJVSA-N 1 3 242.363 0.456 20 0 BCADHO C[N@H+](CCO)C1CCN(C2CCOCC2)CC1 ZINC000336707707 386413995 /nfs/dbraw/zinc/41/39/95/386413995.db2.gz HLAKUPCZMCBMJW-UHFFFAOYSA-N 1 3 242.363 0.554 20 0 BCADHO C[N@@H+](CCO)C1CCN(C2CCOCC2)CC1 ZINC000336707707 386414004 /nfs/dbraw/zinc/41/40/04/386414004.db2.gz HLAKUPCZMCBMJW-UHFFFAOYSA-N 1 3 242.363 0.554 20 0 BCADHO CCOCCN1CCN(C[C@@H](C)[NH3+])C[C@@H]1CC ZINC000442664855 386416998 /nfs/dbraw/zinc/41/69/98/386416998.db2.gz XMSGEIHRKMWOCC-OLZOCXBDSA-N 1 3 243.395 0.766 20 0 BCADHO C[C@@H]([NH3+])CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000442665604 386417106 /nfs/dbraw/zinc/41/71/06/386417106.db2.gz NEPYRVYGHWWYAT-VXGBXAGGSA-N 1 3 241.379 0.519 20 0 BCADHO C[C@@H]1C[C@@H](CN2CC[C@](F)(CO)C2)CC[NH2+]1 ZINC000414761584 386421315 /nfs/dbraw/zinc/42/13/15/386421315.db2.gz JNRLDTYUOGSXOG-GRYCIOLGSA-N 1 3 230.327 0.781 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000336709849 386421810 /nfs/dbraw/zinc/42/18/10/386421810.db2.gz QCJXTTBRHCRRNW-ZDUSSCGKSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000336709849 386421813 /nfs/dbraw/zinc/42/18/13/386421813.db2.gz QCJXTTBRHCRRNW-ZDUSSCGKSA-N 1 3 236.363 0.846 20 0 BCADHO COC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426410 386427733 /nfs/dbraw/zinc/42/77/33/386427733.db2.gz LORLQAZYWFVHDG-OLZOCXBDSA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426410 386427737 /nfs/dbraw/zinc/42/77/37/386427737.db2.gz LORLQAZYWFVHDG-OLZOCXBDSA-N 1 3 242.363 0.411 20 0 BCADHO N[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000238000138 386431038 /nfs/dbraw/zinc/43/10/38/386431038.db2.gz DSYXWGJIFXNVBJ-RYUDHWBXSA-N 1 3 233.315 0.555 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)NCCN(C)C1CC1 ZINC000417621314 386467236 /nfs/dbraw/zinc/46/72/36/386467236.db2.gz FHFOJWYMIQXCJM-LLVKDONJSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H]1CCCN1C ZINC000417287953 386475826 /nfs/dbraw/zinc/47/58/26/386475826.db2.gz PYSDBVJMUHMESN-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO CN(CCNC(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000417633957 386479541 /nfs/dbraw/zinc/47/95/41/386479541.db2.gz YMDDSSRLGRYTFN-UHFFFAOYSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@H]1CN(CCC(=O)N(C)CC)CC[C@@H]1[NH3+] ZINC000647934789 386480567 /nfs/dbraw/zinc/48/05/67/386480567.db2.gz QGNFYFJERRLDCQ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO NC[C@H]1c2ccccc2CCN1C(=O)CC[NH3+] ZINC000335429003 386484823 /nfs/dbraw/zinc/48/48/23/386484823.db2.gz LFQQQEGNYIZWPW-LBPRGKRZSA-N 1 3 233.315 0.420 20 0 BCADHO CN1CCN(CC[NH2+][C@@H]2CCOC2)CC1(C)C ZINC000441375547 386487823 /nfs/dbraw/zinc/48/78/23/386487823.db2.gz BPSFTQDSEXTHFL-GFCCVEGCSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCNC(C)(C)C1 ZINC000335433710 386491954 /nfs/dbraw/zinc/49/19/54/386491954.db2.gz AHXSVWGNBAIKBG-RKDXNWHRSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000519597479 386500011 /nfs/dbraw/zinc/50/00/11/386500011.db2.gz APRXDRUMTFPHAH-NRPADANISA-N 1 3 211.309 0.075 20 0 BCADHO c1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n[nH]1 ZINC000335448083 386516676 /nfs/dbraw/zinc/51/66/76/386516676.db2.gz MARSSAKOFBJSGE-PHIMTYICSA-N 1 3 220.320 0.841 20 0 BCADHO C[C@H](CC(=O)N(C)C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415044303 386530138 /nfs/dbraw/zinc/53/01/38/386530138.db2.gz BQDDCNFQNPWJDF-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO Cc1cn[nH]c1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000335448309 386518018 /nfs/dbraw/zinc/51/80/18/386518018.db2.gz MNTKLOFFIMRYKX-NXEZZACHSA-N 1 3 208.309 0.887 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000519655019 386519200 /nfs/dbraw/zinc/51/92/00/386519200.db2.gz WSNUDMAQYMTKRH-RNFRBKRXSA-N 1 3 235.278 0.226 20 0 BCADHO CC(C)C[C@H](C)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000414786498 386527587 /nfs/dbraw/zinc/52/75/87/386527587.db2.gz MFBOBUKFRHCLEV-TUAOUCFPSA-N 1 3 214.353 0.839 20 0 BCADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000414786498 386527592 /nfs/dbraw/zinc/52/75/92/386527592.db2.gz MFBOBUKFRHCLEV-TUAOUCFPSA-N 1 3 214.353 0.839 20 0 BCADHO CC(C)C[C@H](C)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000414786490 386527631 /nfs/dbraw/zinc/52/76/31/386527631.db2.gz MFBOBUKFRHCLEV-QJPTWQEYSA-N 1 3 214.353 0.839 20 0 BCADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CNC[C@H]1O ZINC000414786490 386527636 /nfs/dbraw/zinc/52/76/36/386527636.db2.gz MFBOBUKFRHCLEV-QJPTWQEYSA-N 1 3 214.353 0.839 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000204154514 386455873 /nfs/dbraw/zinc/45/58/73/386455873.db2.gz UJMISRFJRVADQM-KOLCDFICSA-N 1 3 221.304 0.020 20 0 BCADHO CN(CCNC(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000417620076 386457218 /nfs/dbraw/zinc/45/72/18/386457218.db2.gz CKUVEZSPFKXUPI-NSHDSACASA-N 1 3 240.351 0.117 20 0 BCADHO CN(CCNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000059931339 386462164 /nfs/dbraw/zinc/46/21/64/386462164.db2.gz HOPPJLLZWYAKBV-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)NCCN(C)C1CC1 ZINC000417625042 386463160 /nfs/dbraw/zinc/46/31/60/386463160.db2.gz LKSZYUCVSDKPSQ-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)NCCN(C)C1CC1 ZINC000417625828 386463193 /nfs/dbraw/zinc/46/31/93/386463193.db2.gz MZCADUYFAWKPLH-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978234 386576670 /nfs/dbraw/zinc/57/66/70/386576670.db2.gz OUOJOJLATIXLEK-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335414287 386579386 /nfs/dbraw/zinc/57/93/86/386579386.db2.gz AZRNARXWYRFJFW-GFCCVEGCSA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335417551 386585115 /nfs/dbraw/zinc/58/51/15/386585115.db2.gz NMSBLOFNSNEUSR-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335418733 386587123 /nfs/dbraw/zinc/58/71/23/386587123.db2.gz SXFJPEHXIUBHDT-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO C[NH2+]CCCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417675230 386532441 /nfs/dbraw/zinc/53/24/41/386532441.db2.gz BRROMWVYZFSHLM-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000062972534 386534117 /nfs/dbraw/zinc/53/41/17/386534117.db2.gz GNAKOADYBFZGOT-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519703079 386537446 /nfs/dbraw/zinc/53/74/46/386537446.db2.gz DUWAQSCVJSRLLC-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519703079 386537449 /nfs/dbraw/zinc/53/74/49/386537449.db2.gz DUWAQSCVJSRLLC-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CCN(CC)C(=O)CN1CCC(C[NH2+]C)CC1 ZINC000063166126 386540658 /nfs/dbraw/zinc/54/06/58/386540658.db2.gz JOWYFOOMNQOWAJ-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCO[C@@H]1C[C@H]1N[C@H](CCC[NH3+])COC ZINC000519762333 386551402 /nfs/dbraw/zinc/55/14/02/386551402.db2.gz INPIPZDBJKXAHT-GMTAPVOTSA-N 1 3 216.325 0.507 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCCN1C ZINC000354090216 386555632 /nfs/dbraw/zinc/55/56/32/386555632.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 1 3 239.363 0.633 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCCN1C ZINC000354090216 386555637 /nfs/dbraw/zinc/55/56/37/386555637.db2.gz BBEXLRIQWQBELJ-LBPRGKRZSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417691477 386558313 /nfs/dbraw/zinc/55/83/13/386558313.db2.gz WVBQCAXRSZQVQL-VHSXEESVSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H](NC(=O)C1(N)CCC1)[C@H]1CCC[NH2+]C1 ZINC000335406999 386566136 /nfs/dbraw/zinc/56/61/36/386566136.db2.gz OAXLJSVSKXIAOC-UWVGGRQHSA-N 1 3 225.336 0.372 20 0 BCADHO N[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000335410730 386573955 /nfs/dbraw/zinc/57/39/55/386573955.db2.gz SUFDHZUUJNRZAG-KOLCDFICSA-N 1 3 225.336 0.311 20 0 BCADHO CNC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000179184022 386625346 /nfs/dbraw/zinc/62/53/46/386625346.db2.gz XANYLKTVBKCRSK-UHFFFAOYSA-N 1 3 227.352 0.540 20 0 BCADHO CNC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000179184022 386625352 /nfs/dbraw/zinc/62/53/52/386625352.db2.gz XANYLKTVBKCRSK-UHFFFAOYSA-N 1 3 227.352 0.540 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575438 386646120 /nfs/dbraw/zinc/64/61/20/386646120.db2.gz KEQYWOFZUKXFKT-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C1C[C@@H]([NH2+][C@H]2CCC[C@@H]3OCC[C@H]32)CN1 ZINC000415087151 386606641 /nfs/dbraw/zinc/60/66/41/386606641.db2.gz KPBKBHPOEBEMQJ-RHYQMDGZSA-N 1 3 210.321 0.896 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335520510 386659994 /nfs/dbraw/zinc/65/99/94/386659994.db2.gz FJEFBDXMHUYBQV-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)NCCC[NH2+]C)N(CC)CC ZINC000428130443 386669121 /nfs/dbraw/zinc/66/91/21/386669121.db2.gz SURRBSNKBOVKNH-LLVKDONJSA-N 1 3 229.368 0.833 20 0 BCADHO NC1(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCC1 ZINC000335472282 386690826 /nfs/dbraw/zinc/69/08/26/386690826.db2.gz VYWWHBZPIMLNHP-WDEREUQCSA-N 1 3 237.347 0.372 20 0 BCADHO [NH3+]CCOCCN1CCNCc2ccccc21 ZINC000357023763 386692690 /nfs/dbraw/zinc/69/26/90/386692690.db2.gz DOUYYPNSAGFWOA-UHFFFAOYSA-N 1 3 235.331 0.572 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335480654 386708173 /nfs/dbraw/zinc/70/81/73/386708173.db2.gz RKDGBEGXBXQOMA-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO [NH3+]CCOCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000357105372 386717684 /nfs/dbraw/zinc/71/76/84/386717684.db2.gz ODVKJVCTHQCXLN-LLVKDONJSA-N 1 3 238.335 0.564 20 0 BCADHO CC[C@H](C(=O)N1CCNC(C)(C)C1)[NH+](C)C ZINC000335543240 386727688 /nfs/dbraw/zinc/72/76/88/386727688.db2.gz UIKWMGOQFPLCSU-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000357237188 386744671 /nfs/dbraw/zinc/74/46/71/386744671.db2.gz GLJXOUUQGGNGHB-JQWIXIFHSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357240658 386746305 /nfs/dbraw/zinc/74/63/05/386746305.db2.gz JTDHONXKKJOJJS-OPRDCNLKSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000165932057 386751034 /nfs/dbraw/zinc/75/10/34/386751034.db2.gz MSTAKUXVEXNZMN-LLVKDONJSA-N 1 3 235.331 0.582 20 0 BCADHO CC[C@@H](Cn1cncn1)[NH2+]C[C@H](C)CN(C)C ZINC000425941443 386753098 /nfs/dbraw/zinc/75/30/98/386753098.db2.gz ZLNBGDCTEIINRN-RYUDHWBXSA-N 1 3 239.367 0.844 20 0 BCADHO CC[C@@H](Cn1cncn1)NC[C@H](C)C[NH+](C)C ZINC000425941443 386753102 /nfs/dbraw/zinc/75/31/02/386753102.db2.gz ZLNBGDCTEIINRN-RYUDHWBXSA-N 1 3 239.367 0.844 20 0 BCADHO CC[NH2+]CCNC1CCC(C(=O)OC)CC1 ZINC000414843194 386757171 /nfs/dbraw/zinc/75/71/71/386757171.db2.gz JOCYFTBEWPUMQP-UHFFFAOYSA-N 1 3 228.336 0.917 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCN1C ZINC000394974040 386769951 /nfs/dbraw/zinc/76/99/51/386769951.db2.gz ZNMHCGCTLVEEMX-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](CC(=O)NCCN(C)C)C1CC[NH2+]CC1 ZINC000357248629 386743912 /nfs/dbraw/zinc/74/39/12/386743912.db2.gz RISAXVRSWJDVFU-LLVKDONJSA-N 1 3 241.379 0.690 20 0 BCADHO CC1(C)CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1 ZINC000417830218 386790869 /nfs/dbraw/zinc/79/08/69/386790869.db2.gz IYLPXCMLWGEWCN-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811260 386791040 /nfs/dbraw/zinc/79/10/40/386791040.db2.gz JJRMIORAVYCJPL-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417828626 386791178 /nfs/dbraw/zinc/79/11/78/386791178.db2.gz FQWAZZHIRCIPBR-KWQFWETISA-N 1 3 225.336 0.323 20 0 BCADHO CC[NH+](CC)CCOC1CCN(CCO)CC1 ZINC000340865503 386792156 /nfs/dbraw/zinc/79/21/56/386792156.db2.gz SFPPKXWHLJWILO-UHFFFAOYSA-N 1 3 244.379 0.802 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000417835311 386794363 /nfs/dbraw/zinc/79/43/63/386794363.db2.gz NRYOAOAZDQUBCA-GUBZILKMSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCN1C ZINC000394974041 386770451 /nfs/dbraw/zinc/77/04/51/386770451.db2.gz ZNMHCGCTLVEEMX-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417837159 386796308 /nfs/dbraw/zinc/79/63/08/386796308.db2.gz XLYANVNXFKMXNN-HBNTYKKESA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H](C)N[C@H](C)C2)C1 ZINC000417837958 386796469 /nfs/dbraw/zinc/79/64/69/386796469.db2.gz MXYONBZWVJSVEI-KKOKHZNYSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000417837017 386796576 /nfs/dbraw/zinc/79/65/76/386796576.db2.gz PBSBCOIGJSZNBY-SNVBAGLBSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H](C(=O)N(C)CC[NH3+])[C@@H](N)c1ccccc1 ZINC000417825326 386785011 /nfs/dbraw/zinc/78/50/11/386785011.db2.gz BBDFHLIMLSJPTD-CMPLNLGQSA-N 1 3 235.331 0.740 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417825846 386785658 /nfs/dbraw/zinc/78/56/58/386785658.db2.gz BOFLDVSNFVJCAN-SRRSOLGSSA-N 1 3 241.379 0.803 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526626 386823215 /nfs/dbraw/zinc/82/32/15/386823215.db2.gz KHECTEPPROILEL-LLVKDONJSA-N 1 3 227.352 0.428 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417836386 386797660 /nfs/dbraw/zinc/79/76/60/386797660.db2.gz LSQXEXRZEGJGJU-NTZNESFSSA-N 1 3 241.379 0.947 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1NCCCC1(C)C ZINC000417836585 386797704 /nfs/dbraw/zinc/79/77/04/386797704.db2.gz XDGMJNPPALORPK-GHMZBOCLSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000417852283 386802919 /nfs/dbraw/zinc/80/29/19/386802919.db2.gz NYIFQBVVTPANSU-HLTSFMKQSA-N 1 3 249.305 0.473 20 0 BCADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)C[NH3+])CCCN1C ZINC000417995305 386802915 /nfs/dbraw/zinc/80/29/15/386802915.db2.gz DCIWVOPFYACCMP-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)CCCN1C ZINC000417993832 386809623 /nfs/dbraw/zinc/80/96/23/386809623.db2.gz BBMYQEVVBLNDOX-VWYCJHECSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538777 386833434 /nfs/dbraw/zinc/83/34/34/386833434.db2.gz JJNCQGUDLDTSQA-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538777 386833439 /nfs/dbraw/zinc/83/34/39/386833439.db2.gz JJNCQGUDLDTSQA-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)N(CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919287 386873858 /nfs/dbraw/zinc/87/38/58/386873858.db2.gz MWTGIGVPRXBLSR-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418010095 386882796 /nfs/dbraw/zinc/88/27/96/386882796.db2.gz VKDUBHXCHAPSGW-MXWKQRLJSA-N 1 3 242.367 0.376 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341309530 386891046 /nfs/dbraw/zinc/89/10/46/386891046.db2.gz XVFJVMRJUUDKSE-LLVKDONJSA-N 1 3 229.368 0.641 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000125904638 386917695 /nfs/dbraw/zinc/91/76/95/386917695.db2.gz BRVBVCCRVRHMHO-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852653 386902925 /nfs/dbraw/zinc/90/29/25/386902925.db2.gz XDEIIEYJVORAAF-NEPJUHHUSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852653 386902929 /nfs/dbraw/zinc/90/29/29/386902929.db2.gz XDEIIEYJVORAAF-NEPJUHHUSA-N 1 3 224.348 0.927 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418012776 386906285 /nfs/dbraw/zinc/90/62/85/386906285.db2.gz YKNSVOBQXYXWLB-IVZWLZJFSA-N 1 3 228.340 0.116 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368155632 386946657 /nfs/dbraw/zinc/94/66/57/386946657.db2.gz PKGSHSJCNQCZRR-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)CCN1C ZINC000358259723 386922222 /nfs/dbraw/zinc/92/22/22/386922222.db2.gz USEWWZSHMVCCSK-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368088902 386940118 /nfs/dbraw/zinc/94/01/18/386940118.db2.gz GQHVVPSWWVCJHG-TUAOUCFPSA-N 1 3 237.347 0.196 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000368261038 386955232 /nfs/dbraw/zinc/95/52/32/386955232.db2.gz AGTILRWZKHFUMX-NAKRPEOUSA-N 1 3 225.336 0.310 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376038 386967380 /nfs/dbraw/zinc/96/73/80/386967380.db2.gz KRDDRDOQABHHQG-UMNHJUIQSA-N 1 3 225.336 0.324 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000334930474 387006876 /nfs/dbraw/zinc/00/68/76/387006876.db2.gz MSIMXBFFBZUIPW-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO [NH3+][C@H](C(=O)NCCN1CCCC1)C1CCC1 ZINC000398980471 387031983 /nfs/dbraw/zinc/03/19/83/387031983.db2.gz DWAGEZMSICDEOH-NSHDSACASA-N 1 3 225.336 0.326 20 0 BCADHO CN(CCNC(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000333403437 387032776 /nfs/dbraw/zinc/03/27/76/387032776.db2.gz QHMAMIRHBQCKBE-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000648107553 387044852 /nfs/dbraw/zinc/04/48/52/387044852.db2.gz GUDNLQWZXTUCGZ-SFYZADRCSA-N 1 3 235.278 0.085 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000648107554 387045760 /nfs/dbraw/zinc/04/57/60/387045760.db2.gz GUDNLQWZXTUCGZ-YUMQZZPRSA-N 1 3 235.278 0.085 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C)CN1 ZINC000648108056 387050840 /nfs/dbraw/zinc/05/08/40/387050840.db2.gz VYBBBKBUORWPAM-BBBLOLIVSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000648107800 387050987 /nfs/dbraw/zinc/05/09/87/387050987.db2.gz PSEYPGBKYJDIRI-VHSXEESVSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969839 387054383 /nfs/dbraw/zinc/05/43/83/387054383.db2.gz FKTCGMPSINQCML-NXEZZACHSA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000228005459 387060716 /nfs/dbraw/zinc/06/07/16/387060716.db2.gz RKTASHQZCMEGAF-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO C[NH+](C)C1(CNC(=O)C(C)(C)N)CCCC1 ZINC000110374546 387062357 /nfs/dbraw/zinc/06/23/57/387062357.db2.gz RWHHNSPUQZUSFQ-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](C(=O)NCCN(C)C)[C@@H](C)[NH3+] ZINC000399483425 387011647 /nfs/dbraw/zinc/01/16/47/387011647.db2.gz CUIWLXIEXGVPSN-ZJUUUORDSA-N 1 3 215.341 0.284 20 0 BCADHO C[C@@H](NCC1=CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560768 387075327 /nfs/dbraw/zinc/07/53/27/387075327.db2.gz HUKSSWOPPBAOOB-YPMHNXCESA-N 1 3 223.364 0.978 20 0 BCADHO O=C(NCC1=CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000186306855 387087514 /nfs/dbraw/zinc/08/75/14/387087514.db2.gz QECMRGAARGLFTR-LLVKDONJSA-N 1 3 223.320 0.164 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)CN(C)C ZINC000352341314 387093030 /nfs/dbraw/zinc/09/30/30/387093030.db2.gz WYUQLFQIESEZCJ-GHMZBOCLSA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000067592182 387097467 /nfs/dbraw/zinc/09/74/67/387097467.db2.gz MTDKZGHOKVGNJF-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CCC[C@H](N)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495893 387099785 /nfs/dbraw/zinc/09/97/85/387099785.db2.gz BYQZDXJNDKTQEY-JQWIXIFHSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335010059 387104387 /nfs/dbraw/zinc/10/43/87/387104387.db2.gz MIOOEVAKMHKMGM-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335010058 387104621 /nfs/dbraw/zinc/10/46/21/387104621.db2.gz MIOOEVAKMHKMGM-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370304259 387107264 /nfs/dbraw/zinc/10/72/64/387107264.db2.gz XKWDHAUCPGLCGX-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370304259 387107271 /nfs/dbraw/zinc/10/72/71/387107271.db2.gz XKWDHAUCPGLCGX-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNC(=O)C1CC1 ZINC000160685202 387112491 /nfs/dbraw/zinc/11/24/91/387112491.db2.gz PFQSKAOCHLLXNK-NWDGAFQWSA-N 1 3 239.363 0.620 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685202 387112494 /nfs/dbraw/zinc/11/24/94/387112494.db2.gz PFQSKAOCHLLXNK-NWDGAFQWSA-N 1 3 239.363 0.620 20 0 BCADHO CC1(C(=O)Nc2ccc3c(c2)CNCC3)C[NH2+]C1 ZINC000335027594 387120215 /nfs/dbraw/zinc/12/02/15/387120215.db2.gz HFQLSGDEUVFHCA-UHFFFAOYSA-N 1 3 245.326 0.880 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000367350892 387127759 /nfs/dbraw/zinc/12/77/59/387127759.db2.gz YQFACZQHFHAKBN-SNVBAGLBSA-N 1 3 247.342 0.207 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000353210339 387159079 /nfs/dbraw/zinc/15/90/79/387159079.db2.gz YYWOWFMCYVZENB-CMPLNLGQSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000353210339 387159086 /nfs/dbraw/zinc/15/90/86/387159086.db2.gz YYWOWFMCYVZENB-CMPLNLGQSA-N 1 3 239.363 0.524 20 0 BCADHO C[NH+](C)CCCNC(=O)C[C@H]1CSCCN1 ZINC000085612666 387159300 /nfs/dbraw/zinc/15/93/00/387159300.db2.gz OWEYPKWDPICNQG-JTQLQIEISA-N 1 3 245.392 0.149 20 0 BCADHO COCCNCCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423318425 387159409 /nfs/dbraw/zinc/15/94/09/387159409.db2.gz BRIKISMFKRNXDO-NWDGAFQWSA-N 1 3 229.368 0.472 20 0 BCADHO COCCNCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423321750 387164639 /nfs/dbraw/zinc/16/46/39/387164639.db2.gz FSRKPAVHISEASH-RYUDHWBXSA-N 1 3 229.368 0.343 20 0 BCADHO COCCNCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423321749 387164990 /nfs/dbraw/zinc/16/49/90/387164990.db2.gz FSRKPAVHISEASH-NWDGAFQWSA-N 1 3 229.368 0.343 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000423321956 387165231 /nfs/dbraw/zinc/16/52/31/387165231.db2.gz GRAGCBBXDFVIJB-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](N)C1CC1 ZINC000423327439 387170722 /nfs/dbraw/zinc/17/07/22/387170722.db2.gz RODRJMHAULVXKR-OASPWFOLSA-N 1 3 223.364 0.796 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000418179836 387193465 /nfs/dbraw/zinc/19/34/65/387193465.db2.gz AWNLCQNSCMVVAU-QWRGUYRKSA-N 1 3 244.383 0.753 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](N)C2CC2)CN1C1CC1 ZINC000423337687 387185398 /nfs/dbraw/zinc/18/53/98/387185398.db2.gz YRGZBMZFXPNLJH-XWIASGKRSA-N 1 3 223.364 0.939 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423338973 387188402 /nfs/dbraw/zinc/18/84/02/387188402.db2.gz BGHWNTDNCVIELS-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000370707690 387136978 /nfs/dbraw/zinc/13/69/78/387136978.db2.gz GDOBCKVFWZANEG-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[NH2+]CCN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423305965 387141290 /nfs/dbraw/zinc/14/12/90/387141290.db2.gz CWCHAOLEWFSFDN-STQMWFEESA-N 1 3 241.379 0.343 20 0 BCADHO CCC(CC)C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571939393 387206376 /nfs/dbraw/zinc/20/63/76/387206376.db2.gz LLMAROOMAMJWQE-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CCC(CC)C[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571939393 387206379 /nfs/dbraw/zinc/20/63/79/387206379.db2.gz LLMAROOMAMJWQE-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461392 387206473 /nfs/dbraw/zinc/20/64/73/387206473.db2.gz QMDXEXHSCDOXNS-ZETCQYMHSA-N 1 3 241.257 0.332 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461392 387206477 /nfs/dbraw/zinc/20/64/77/387206477.db2.gz QMDXEXHSCDOXNS-ZETCQYMHSA-N 1 3 241.257 0.332 20 0 BCADHO CCC(CC)C[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571939394 387207904 /nfs/dbraw/zinc/20/79/04/387207904.db2.gz LLMAROOMAMJWQE-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO CCC(CC)C[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571939394 387207909 /nfs/dbraw/zinc/20/79/09/387207909.db2.gz LLMAROOMAMJWQE-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000353476120 387210654 /nfs/dbraw/zinc/21/06/54/387210654.db2.gz YLFZATRSEHQYNK-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO COCCN1CC[C@@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423362132 387211844 /nfs/dbraw/zinc/21/18/44/387211844.db2.gz MUDNZSQRPFMQQJ-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423366099 387217504 /nfs/dbraw/zinc/21/75/04/387217504.db2.gz XENIDKKPRFSLPM-DMDPSCGWSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423366100 387219217 /nfs/dbraw/zinc/21/92/17/387219217.db2.gz XENIDKKPRFSLPM-LOWVWBTDSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418206146 387220403 /nfs/dbraw/zinc/22/04/03/387220403.db2.gz OCXUSVOSVMDUIR-AXFHLTTASA-N 1 3 242.367 0.315 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000353520986 387220743 /nfs/dbraw/zinc/22/07/43/387220743.db2.gz QPEUVYMFDYCPGN-FDYHWXHSSA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000353520988 387220977 /nfs/dbraw/zinc/22/09/77/387220977.db2.gz QPEUVYMFDYCPGN-XQHKEYJVSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418210663 387221134 /nfs/dbraw/zinc/22/11/34/387221134.db2.gz SRAMBMHUWROPQB-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418210677 387222249 /nfs/dbraw/zinc/22/22/49/387222249.db2.gz SSAYOTJFDODDCP-VWYCJHECSA-N 1 3 242.367 0.328 20 0 BCADHO C(C[C@H]1CCOC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000400602317 387225850 /nfs/dbraw/zinc/22/58/50/387225850.db2.gz TWXJQQOYPMJJSN-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO COCCN1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396767 387231810 /nfs/dbraw/zinc/23/18/10/387231810.db2.gz SMOBSJZLWHDPHX-AVGNSLFASA-N 1 3 241.379 0.567 20 0 BCADHO CC[NH2+][C@H](C)CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000423399506 387235484 /nfs/dbraw/zinc/23/54/84/387235484.db2.gz WHJOXRMGOQRFGA-RAIGVLPGSA-N 1 3 241.379 0.341 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406596 387242669 /nfs/dbraw/zinc/24/26/69/387242669.db2.gz UWSRNFDRNCLUCI-RHYQMDGZSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@H](CC(C)(C)C)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000423416598 387249078 /nfs/dbraw/zinc/24/90/78/387249078.db2.gz FVYSALRJUNSWLP-VWYCJHECSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000423416598 387249082 /nfs/dbraw/zinc/24/90/82/387249082.db2.gz FVYSALRJUNSWLP-VWYCJHECSA-N 1 3 214.353 0.981 20 0 BCADHO CCN1C[C@H](NC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348144 387197726 /nfs/dbraw/zinc/19/77/26/387197726.db2.gz SSVZHTLTYZSHCT-TUAOUCFPSA-N 1 3 211.353 0.526 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H]2CCCN[C@@H]2C)C1 ZINC000423374253 387198156 /nfs/dbraw/zinc/19/81/56/387198156.db2.gz JQXUMFAMCDVNGZ-AGIUHOORSA-N 1 3 241.379 0.437 20 0 BCADHO N[C@H](C(=O)N1CCC(CC[NH3+])CC1)C1CCC1 ZINC000514945642 387311341 /nfs/dbraw/zinc/31/13/41/387311341.db2.gz OCWPTEBYIJTMIW-LBPRGKRZSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000514936454 387316161 /nfs/dbraw/zinc/31/61/61/387316161.db2.gz TYLJTAFTUMTHKM-ZYHUDNBSSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@H](CNC(=O)CC1(C[NH3+])CC1)N(C)C1CC1 ZINC000423375547 387258235 /nfs/dbraw/zinc/25/82/35/387258235.db2.gz KSIXVRYBRZKVJQ-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378771 387259058 /nfs/dbraw/zinc/25/90/58/387259058.db2.gz ZVFUBLCUTNALFJ-IJLUTSLNSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378774 387260454 /nfs/dbraw/zinc/26/04/54/387260454.db2.gz ZVFUBLCUTNALFJ-UTUOFQBUSA-N 1 3 211.353 0.668 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423378694 387260501 /nfs/dbraw/zinc/26/05/01/387260501.db2.gz MPMAIXKTOGJIHO-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423377569 387260798 /nfs/dbraw/zinc/26/07/98/387260798.db2.gz YZHOHFGNCYJXIX-ZDEQEGDKSA-N 1 3 225.380 0.914 20 0 BCADHO CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)N(C)C ZINC000120843898 387276146 /nfs/dbraw/zinc/27/61/46/387276146.db2.gz BSWUAHJWSNFPBE-LBPRGKRZSA-N 1 3 241.379 0.879 20 0 BCADHO CC[NH2+][C@H](C)CN[C@@H]1CN(CC)C[C@H]1C ZINC000423393107 387279254 /nfs/dbraw/zinc/27/92/54/387279254.db2.gz YKHMKAONZRRYIN-IJLUTSLNSA-N 1 3 213.369 0.914 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000423392253 387279493 /nfs/dbraw/zinc/27/94/93/387279493.db2.gz LOJSYPFZOGCMGG-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000648120795 387281313 /nfs/dbraw/zinc/28/13/13/387281313.db2.gz QTODNWOAQNYKCP-SECBINFHSA-N 1 3 227.352 0.700 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000514738875 387283833 /nfs/dbraw/zinc/28/38/33/387283833.db2.gz MGRSLMMYRRSJRS-UWVGGRQHSA-N 1 3 229.368 0.687 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000514789786 387287319 /nfs/dbraw/zinc/28/73/19/387287319.db2.gz SLAVQAYVLWAXJM-AXFHLTTASA-N 1 3 227.352 0.556 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000121186690 387307320 /nfs/dbraw/zinc/30/73/20/387307320.db2.gz JDDLDFKYRSGJOJ-GFCCVEGCSA-N 1 3 239.363 0.633 20 0 BCADHO CCC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000423461563 387308549 /nfs/dbraw/zinc/30/85/49/387308549.db2.gz JUJYSIKNFQHDEM-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CCN1C[C@H](NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000423530286 387358794 /nfs/dbraw/zinc/35/87/94/387358794.db2.gz YTHMCPWGTZDFCU-XQQFMLRXSA-N 1 3 241.379 0.295 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462777 387320740 /nfs/dbraw/zinc/32/07/40/387320740.db2.gz LVWJYTBXCFHSJA-UPJWGTAASA-N 1 3 223.364 0.940 20 0 BCADHO C[C@@]1(C(=O)NC2CC[NH2+]CC2)CCCCN1 ZINC000336498323 387323076 /nfs/dbraw/zinc/32/30/76/387323076.db2.gz WPGDCUZPTYIWLB-LBPRGKRZSA-N 1 3 225.336 0.387 20 0 BCADHO COC[C@@H]([NH2+]C[C@@H]1CNCCCO1)C(C)C ZINC000423485371 387331937 /nfs/dbraw/zinc/33/19/37/387331937.db2.gz APHYWDZGAGIUMG-NWDGAFQWSA-N 1 3 230.352 0.626 20 0 BCADHO CN(CCCO)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000372882047 387333457 /nfs/dbraw/zinc/33/34/57/387333457.db2.gz MCXUZNBYZXLKIH-CYBMUJFWSA-N 1 3 244.379 0.538 20 0 BCADHO CN(CCCO)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000372882047 387333462 /nfs/dbraw/zinc/33/34/62/387333462.db2.gz MCXUZNBYZXLKIH-CYBMUJFWSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCCO2)[C@H]1C ZINC000423496778 387339229 /nfs/dbraw/zinc/33/92/29/387339229.db2.gz XQHPCCNEDXZULA-KXNHARMFSA-N 1 3 212.337 0.999 20 0 BCADHO C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC000423498798 387341157 /nfs/dbraw/zinc/34/11/57/387341157.db2.gz CFYGMXAOYURUSB-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373042527 387342801 /nfs/dbraw/zinc/34/28/01/387342801.db2.gz MDRZXZPVXJMOHF-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](NC[C@H]1CNCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507104 387345997 /nfs/dbraw/zinc/34/59/97/387345997.db2.gz HPJYHWYXOZNWIF-XQQFMLRXSA-N 1 3 240.395 0.010 20 0 BCADHO C[C@H](NC[C@@H]1CNCCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507100 387346124 /nfs/dbraw/zinc/34/61/24/387346124.db2.gz HPJYHWYXOZNWIF-RWMBFGLXSA-N 1 3 240.395 0.010 20 0 BCADHO CC[NH2+]CCCNC(=O)NC[C@@H]1CCCN1C ZINC000515220962 387347401 /nfs/dbraw/zinc/34/74/01/387347401.db2.gz KBQAQMWEDJACKD-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO Cc1cc(C[NH+](C)C)cc(NC(=O)CN)c1 ZINC000423793561 387426613 /nfs/dbraw/zinc/42/66/13/387426613.db2.gz XDTYTNZUVMFQET-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423820615 387432283 /nfs/dbraw/zinc/43/22/83/387432283.db2.gz PXKVFNIRGXBKEZ-WDEREUQCSA-N 1 3 225.336 0.467 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423842231 387434616 /nfs/dbraw/zinc/43/46/16/387434616.db2.gz GVPJVBAPVGMLJC-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423855961 387437225 /nfs/dbraw/zinc/43/72/25/387437225.db2.gz XPQYDQDMXQAXFW-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@H]1CC[NH2+]1 ZINC000423952230 387457058 /nfs/dbraw/zinc/45/70/58/387457058.db2.gz ZYCXXVLZBSWXNB-QWHCGFSZSA-N 1 3 247.342 0.727 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423953221 387457426 /nfs/dbraw/zinc/45/74/26/387457426.db2.gz AXSUTXGEAXXRRB-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423953217 387458103 /nfs/dbraw/zinc/45/81/03/387458103.db2.gz AXSUTXGEAXXRRB-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H](C)[NH2+]C)N(C)C ZINC000423625424 387389556 /nfs/dbraw/zinc/38/95/56/387389556.db2.gz FPWBQVCSXYTWIU-NXEZZACHSA-N 1 3 215.341 0.441 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000423656528 387392099 /nfs/dbraw/zinc/39/20/99/387392099.db2.gz XAIJRQSEYNFKMA-NNYUYHANSA-N 1 3 239.363 0.807 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N(C)C ZINC000423656168 387392402 /nfs/dbraw/zinc/39/24/02/387392402.db2.gz WLLPFVALYMUTSL-DCAQKATOSA-N 1 3 227.352 0.521 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)N(C)C ZINC000423971798 387460080 /nfs/dbraw/zinc/46/00/80/387460080.db2.gz HKBNZTWGCVWLFK-OUAUKWLOSA-N 1 3 227.352 0.378 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000423665949 387393154 /nfs/dbraw/zinc/39/31/54/387393154.db2.gz KTMNCPCVLYEFIQ-ZRUFSTJUSA-N 1 3 225.336 0.051 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423976624 387460138 /nfs/dbraw/zinc/46/01/38/387460138.db2.gz MUUULFZPJUAAIS-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H]([NH3+])CC)N(C)C ZINC000423676277 387395992 /nfs/dbraw/zinc/39/59/92/387395992.db2.gz IQFWTKICEUDTEA-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCc1ccc(CN(C)C)cc1 ZINC000423736558 387404545 /nfs/dbraw/zinc/40/45/45/387404545.db2.gz SNKZKCULCYNQCD-NSHDSACASA-N 1 3 249.358 0.959 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN2CCC1CC2 ZINC000423760251 387413567 /nfs/dbraw/zinc/41/35/67/387413567.db2.gz PZCCNMLTIVKWGO-LBPRGKRZSA-N 1 3 239.363 0.524 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000423776976 387423262 /nfs/dbraw/zinc/42/32/62/387423262.db2.gz QXOFSAXHCHZMAC-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000423776976 387423265 /nfs/dbraw/zinc/42/32/65/387423265.db2.gz QXOFSAXHCHZMAC-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423997945 387463640 /nfs/dbraw/zinc/46/36/40/387463640.db2.gz MABJEPWHWUAXAH-RYUDHWBXSA-N 1 3 241.379 0.772 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000516183018 387469076 /nfs/dbraw/zinc/46/90/76/387469076.db2.gz DXEVEOAMMUCWCN-KXUCPTDWSA-N 1 3 213.325 0.371 20 0 BCADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000114072917 387469868 /nfs/dbraw/zinc/46/98/68/387469868.db2.gz CURNRDSNYPDDFM-GFCCVEGCSA-N 1 3 239.363 0.633 20 0 BCADHO CCCN(C)CC(=O)NC(C)(C)CC[NH3+] ZINC000424046959 387470013 /nfs/dbraw/zinc/47/00/13/387470013.db2.gz MTELSFLAVMLGCK-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424047816 387470874 /nfs/dbraw/zinc/47/08/74/387470874.db2.gz XLYYMZOPVAOXNF-WCABBAIRSA-N 1 3 225.336 0.384 20 0 BCADHO C(C[NH2+]C1CC1)N[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000643508120 387484552 /nfs/dbraw/zinc/48/45/52/387484552.db2.gz MJDHTYUAOXWVHW-OLZOCXBDSA-N 1 3 239.363 0.095 20 0 BCADHO CCN(CC)C(=O)CN(C)CC[C@H]1CC[NH2+]C1 ZINC000396746740 387488179 /nfs/dbraw/zinc/48/81/79/387488179.db2.gz ZRAZKPFAJIOPAE-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO NC[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000430548955 387628126 /nfs/dbraw/zinc/62/81/26/387628126.db2.gz WWIZIASMEODSDU-GFCCVEGCSA-N 1 3 227.352 0.132 20 0 BCADHO NC[C@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000430548955 387628128 /nfs/dbraw/zinc/62/81/28/387628128.db2.gz WWIZIASMEODSDU-GFCCVEGCSA-N 1 3 227.352 0.132 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831326 387584083 /nfs/dbraw/zinc/58/40/83/387584083.db2.gz XGRXEPLRDKFOKA-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040833012 387585037 /nfs/dbraw/zinc/58/50/37/387585037.db2.gz AVFZFLYMSPTOOZ-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CNC(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000422617154 387608338 /nfs/dbraw/zinc/60/83/38/387608338.db2.gz JKRMURDFTODJPU-VIFPVBQESA-N 1 3 230.356 0.363 20 0 BCADHO CCC[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000422682759 387610002 /nfs/dbraw/zinc/61/00/02/387610002.db2.gz BPHMCWYTPPZOLF-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422712257 387624696 /nfs/dbraw/zinc/62/46/96/387624696.db2.gz NUDKDOZLQUYEDE-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422712257 387624703 /nfs/dbraw/zinc/62/47/03/387624703.db2.gz NUDKDOZLQUYEDE-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCSCC1 ZINC000422712497 387625543 /nfs/dbraw/zinc/62/55/43/387625543.db2.gz OILJVMSZYZYFTK-WDEREUQCSA-N 1 3 231.409 0.751 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422712693 387626076 /nfs/dbraw/zinc/62/60/76/387626076.db2.gz ONTIPHKYGIMELX-FRRDWIJNSA-N 1 3 243.395 0.813 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422712696 387626462 /nfs/dbraw/zinc/62/64/62/387626462.db2.gz ONTIPHKYGIMELX-YNEHKIRRSA-N 1 3 243.395 0.813 20 0 BCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000426347159 387558501 /nfs/dbraw/zinc/55/85/01/387558501.db2.gz RZTVJVGCYJJCAR-YFKTTZPYSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001336 387558652 /nfs/dbraw/zinc/55/86/52/387558652.db2.gz CRVPWBQRIRUHHP-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000426347157 387558724 /nfs/dbraw/zinc/55/87/24/387558724.db2.gz RZTVJVGCYJJCAR-NNYUYHANSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[C@H](C(=O)NCCN1CCCC1)[C@H](C)[NH3+] ZINC000399694021 387564968 /nfs/dbraw/zinc/56/49/68/387564968.db2.gz YVCTXJWCOKQLDK-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO [NH3+][C@H]1CCC[C@H]1NCCN1CCSCC1 ZINC000422718390 387629942 /nfs/dbraw/zinc/62/99/42/387629942.db2.gz XCOHFMYTCLFODP-WDEREUQCSA-N 1 3 229.393 0.505 20 0 BCADHO C[C@@H]1CCNC[C@H]1[NH2+]CCN1CCSCC1 ZINC000422718039 387631321 /nfs/dbraw/zinc/63/13/21/387631321.db2.gz WQWFFDUFYXWYLE-VXGBXAGGSA-N 1 3 243.420 0.623 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1NCCN1CCSCC1 ZINC000422718388 387631520 /nfs/dbraw/zinc/63/15/20/387631520.db2.gz XCOHFMYTCLFODP-MNOVXSKESA-N 1 3 229.393 0.505 20 0 BCADHO [NH3+][C@H]1CCC[C@@H]1NCCN1CCSCC1 ZINC000422718389 387631649 /nfs/dbraw/zinc/63/16/49/387631649.db2.gz XCOHFMYTCLFODP-QWRGUYRKSA-N 1 3 229.393 0.505 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000356343319 387646613 /nfs/dbraw/zinc/64/66/13/387646613.db2.gz JYIKJYCETVDRBY-VWYCJHECSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430741803 387647206 /nfs/dbraw/zinc/64/72/06/387647206.db2.gz FAWGICLFOIDAFB-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430741803 387647208 /nfs/dbraw/zinc/64/72/08/387647208.db2.gz FAWGICLFOIDAFB-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(C2CC2)C1 ZINC000422746167 387651295 /nfs/dbraw/zinc/65/12/95/387651295.db2.gz WBVXXFJVAAEFJY-GARJFASQSA-N 1 3 211.353 0.939 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)C[C@@H]1C ZINC000430795862 387652182 /nfs/dbraw/zinc/65/21/82/387652182.db2.gz IMXCEHWTVWYABR-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)C[C@@H]1C ZINC000430795862 387652184 /nfs/dbraw/zinc/65/21/84/387652184.db2.gz IMXCEHWTVWYABR-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@H](C)N1CCOCC1 ZINC000422747966 387654057 /nfs/dbraw/zinc/65/40/57/387654057.db2.gz ZZPDKEWRXBVXFB-RVMXOQNASA-N 1 3 243.395 0.811 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)[C@H](C)N1CCOCC1 ZINC000422747966 387654062 /nfs/dbraw/zinc/65/40/62/387654062.db2.gz ZZPDKEWRXBVXFB-RVMXOQNASA-N 1 3 243.395 0.811 20 0 BCADHO C[C@H](NC[C@H](O)CC(C)(C)C)C1C[NH2+]C1 ZINC000422752265 387655347 /nfs/dbraw/zinc/65/53/47/387655347.db2.gz CMFLOPXREWRJPV-GXSJLCMTSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C1CNC1 ZINC000422752265 387655349 /nfs/dbraw/zinc/65/53/49/387655349.db2.gz CMFLOPXREWRJPV-GXSJLCMTSA-N 1 3 214.353 0.981 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430889280 387657998 /nfs/dbraw/zinc/65/79/98/387657998.db2.gz KRAXNZAQDYHBOR-NEPJUHHUSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430899584 387658480 /nfs/dbraw/zinc/65/84/80/387658480.db2.gz MECWOTGCYAKNGR-GXSJLCMTSA-N 1 3 225.336 0.419 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430889282 387658878 /nfs/dbraw/zinc/65/88/78/387658878.db2.gz KRAXNZAQDYHBOR-RYUDHWBXSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430890637 387658964 /nfs/dbraw/zinc/65/89/64/387658964.db2.gz RHEYCIBDLHKVTP-VXGBXAGGSA-N 1 3 239.363 0.665 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430896930 387659538 /nfs/dbraw/zinc/65/95/38/387659538.db2.gz LRKJVBATWGHPFJ-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO [NH3+]C[C@H]1CCN(CCC(=O)NC2CCCC2)C1 ZINC000430921944 387660624 /nfs/dbraw/zinc/66/06/24/387660624.db2.gz VXYCHVSSJFGENO-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305966087 387668319 /nfs/dbraw/zinc/66/83/19/387668319.db2.gz XUJIOXPHUDYDNB-JHJVBQTASA-N 1 3 242.363 0.600 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305966087 387668324 /nfs/dbraw/zinc/66/83/24/387668324.db2.gz XUJIOXPHUDYDNB-JHJVBQTASA-N 1 3 242.363 0.600 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000305966093 387668555 /nfs/dbraw/zinc/66/85/55/387668555.db2.gz XUJIOXPHUDYDNB-YNEHKIRRSA-N 1 3 242.363 0.600 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000305966093 387668561 /nfs/dbraw/zinc/66/85/61/387668561.db2.gz XUJIOXPHUDYDNB-YNEHKIRRSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019069 387670418 /nfs/dbraw/zinc/67/04/18/387670418.db2.gz KPMGYJUXPFQRJC-KOLCDFICSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CN1C1CC1 ZINC000431027955 387670455 /nfs/dbraw/zinc/67/04/55/387670455.db2.gz ZPAHDVCCEIZOHM-ZJUUUORDSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](O)CCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422775875 387671729 /nfs/dbraw/zinc/67/17/29/387671729.db2.gz BPRQMRBBPXOSKF-IJLUTSLNSA-N 1 3 214.353 0.981 20 0 BCADHO CCC[C@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)N(C)C ZINC000422775041 387672906 /nfs/dbraw/zinc/67/29/06/387672906.db2.gz ZNIBPWOLNQFUSQ-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@H](O)CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422776548 387675594 /nfs/dbraw/zinc/67/55/94/387675594.db2.gz CWEZACPAHWDGFH-HBNTYKKESA-N 1 3 200.326 0.863 20 0 BCADHO CCC[C@H](C(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000422782868 387680318 /nfs/dbraw/zinc/68/03/18/387680318.db2.gz NOIHAIPSEOERHE-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000376984493 387683567 /nfs/dbraw/zinc/68/35/67/387683567.db2.gz ASDVNDMLVNVENC-JQWIXIFHSA-N 1 3 227.352 0.762 20 0 BCADHO c1cn(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000126522633 387686979 /nfs/dbraw/zinc/68/69/79/387686979.db2.gz KNMWYYHRIHHEKP-CHWSQXEVSA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000126522633 387686987 /nfs/dbraw/zinc/68/69/87/387686987.db2.gz KNMWYYHRIHHEKP-CHWSQXEVSA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)nn1 ZINC000126522633 387686994 /nfs/dbraw/zinc/68/69/94/387686994.db2.gz KNMWYYHRIHHEKP-CHWSQXEVSA-N 1 3 249.362 0.885 20 0 BCADHO COCCCN(C)CCN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422786195 387687106 /nfs/dbraw/zinc/68/71/06/387687106.db2.gz SIOUCYMWYWSUHG-QWHCGFSZSA-N 1 3 243.395 0.685 20 0 BCADHO [NH3+]C[C@@H](NC(=O)C12CCCN1CCC2)C1CC1 ZINC000422862222 387743133 /nfs/dbraw/zinc/74/31/33/387743133.db2.gz PKBBNTQTBSDZGD-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000422871525 387749803 /nfs/dbraw/zinc/74/98/03/387749803.db2.gz DABCFPYVAVJJSH-FOGDFJRCSA-N 1 3 209.337 0.421 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCO[C@@H]1CCOC1 ZINC000422872951 387753410 /nfs/dbraw/zinc/75/34/10/387753410.db2.gz JHGVLCJWBNEHCL-UPJWGTAASA-N 1 3 242.363 0.770 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N(C)C ZINC000629614003 387713448 /nfs/dbraw/zinc/71/34/48/387713448.db2.gz VCNAZPZMRWDSCV-GUBZILKMSA-N 1 3 231.315 0.143 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])N(C)C ZINC000629614018 387713708 /nfs/dbraw/zinc/71/37/08/387713708.db2.gz VIRGNPIUAPLSMK-IWSPIJDZSA-N 1 3 201.314 0.179 20 0 BCADHO CC[C@H](C(=O)NCC12CC(C1)C[NH2+]2)N(C)C ZINC000629614128 387714635 /nfs/dbraw/zinc/71/46/35/387714635.db2.gz YLKNJMDSERSADW-SQLBVSGCSA-N 1 3 225.336 0.195 20 0 BCADHO COCCN(C)CCC[NH2+][C@H]1CNCC[C@@H]1C ZINC000422848136 387735298 /nfs/dbraw/zinc/73/52/98/387735298.db2.gz SNPJDISCMZKOBH-STQMWFEESA-N 1 3 243.395 0.542 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000441621885 387773184 /nfs/dbraw/zinc/77/31/84/387773184.db2.gz PLWFFDPDUCOWKE-CMPLNLGQSA-N 1 3 235.331 0.440 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH3+])N(CC)CC ZINC000441628513 387774315 /nfs/dbraw/zinc/77/43/15/387774315.db2.gz RCEYBPQYVINNBZ-MNOVXSKESA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000422924090 387776994 /nfs/dbraw/zinc/77/69/94/387776994.db2.gz XQGVVBLIFRGXOW-GUBZILKMSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000422925207 387777409 /nfs/dbraw/zinc/77/74/09/387777409.db2.gz ZWQMWYRUUKJMJO-IIRVCBMXSA-N 1 3 239.363 0.711 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990243 387799366 /nfs/dbraw/zinc/79/93/66/387799366.db2.gz MYZUIOXGLABICH-WYUUTHIRSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422990243 387799368 /nfs/dbraw/zinc/79/93/68/387799368.db2.gz MYZUIOXGLABICH-WYUUTHIRSA-N 1 3 211.353 0.524 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CCSC ZINC000309464896 387801769 /nfs/dbraw/zinc/80/17/69/387801769.db2.gz PTAQHLKCKNVRNN-BDAKNGLRSA-N 1 3 233.381 0.181 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442614257 387807338 /nfs/dbraw/zinc/80/73/38/387807338.db2.gz GNWZCTGPJZNORU-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882208 387758444 /nfs/dbraw/zinc/75/84/44/387758444.db2.gz ANSOPOXLIDFQHJ-RWMBFGLXSA-N 1 3 241.379 0.424 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000422882208 387758447 /nfs/dbraw/zinc/75/84/47/387758447.db2.gz ANSOPOXLIDFQHJ-RWMBFGLXSA-N 1 3 241.379 0.424 20 0 BCADHO COC[C@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000564076716 387820108 /nfs/dbraw/zinc/82/01/08/387820108.db2.gz FLVBJOJTRKIGDK-GHMZBOCLSA-N 1 3 232.368 0.560 20 0 BCADHO C[C@@H](NC[C@H](O)CN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973256 387820956 /nfs/dbraw/zinc/82/09/56/387820956.db2.gz BONYSBUMJWHZMV-WOPDTQHZSA-N 1 3 229.368 0.029 20 0 BCADHO C[C@@H](NC[C@@H](O)CN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422973248 387821828 /nfs/dbraw/zinc/82/18/28/387821828.db2.gz BONYSBUMJWHZMV-IJLUTSLNSA-N 1 3 229.368 0.029 20 0 BCADHO CCC(CC)(CO)CN[C@@H](C)C1C[NH2+]C1 ZINC000423005439 387828364 /nfs/dbraw/zinc/82/83/64/387828364.db2.gz SCMOZEDOLUQMCI-JTQLQIEISA-N 1 3 214.353 0.983 20 0 BCADHO CCC(CC)(CO)C[NH2+][C@@H](C)C1CNC1 ZINC000423005439 387828369 /nfs/dbraw/zinc/82/83/69/387828369.db2.gz SCMOZEDOLUQMCI-JTQLQIEISA-N 1 3 214.353 0.983 20 0 BCADHO C[NH+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000040457814 387829828 /nfs/dbraw/zinc/82/98/28/387829828.db2.gz REYOFKPDVUAABY-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000423008753 387831835 /nfs/dbraw/zinc/83/18/35/387831835.db2.gz UMZKTGMIJSGXFM-SRVKXCTJSA-N 1 3 244.404 0.962 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000424160554 387838955 /nfs/dbraw/zinc/83/89/55/387838955.db2.gz XDRASCIILMKKCD-INTQDDNPSA-N 1 3 246.314 0.183 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCCN1CCOCC1 ZINC000442789396 387841660 /nfs/dbraw/zinc/84/16/60/387841660.db2.gz ZDJJHNMMPUEHIM-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCCN1CCOCC1 ZINC000442789396 387841663 /nfs/dbraw/zinc/84/16/63/387841663.db2.gz ZDJJHNMMPUEHIM-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCCN1CCOCC1 ZINC000442789396 387841668 /nfs/dbraw/zinc/84/16/68/387841668.db2.gz ZDJJHNMMPUEHIM-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO COC[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)OC ZINC000423038473 387853959 /nfs/dbraw/zinc/85/39/59/387853959.db2.gz CWQZUZILKJPMAU-TUAOUCFPSA-N 1 3 230.352 0.768 20 0 BCADHO CC[C@@H](CO)[NH2+][C@H]1CCNCC[C@H]1C ZINC000423058340 387865224 /nfs/dbraw/zinc/86/52/24/387865224.db2.gz JKQNAEWUIIHKES-VWYCJHECSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](CO)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000423058340 387865228 /nfs/dbraw/zinc/86/52/28/387865228.db2.gz JKQNAEWUIIHKES-VWYCJHECSA-N 1 3 200.326 0.735 20 0 BCADHO CCOC1CC(O)(C[NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000423086142 387880253 /nfs/dbraw/zinc/88/02/53/387880253.db2.gz LJYUMCJDKAOAAI-IGJPJIBNSA-N 1 3 242.363 0.633 20 0 BCADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423086210 387880904 /nfs/dbraw/zinc/88/09/04/387880904.db2.gz LQHQNGCYGKSGKM-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO CC[C@H]1CN(CC[NH2+]C2CCNCC2)CCO1 ZINC000423090357 387882832 /nfs/dbraw/zinc/88/28/32/387882832.db2.gz VFXILWZYJLVSDT-ZDUSSCGKSA-N 1 3 241.379 0.439 20 0 BCADHO OCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157939896 387885953 /nfs/dbraw/zinc/88/59/53/387885953.db2.gz RHWNFUPQQNRWHW-RYUDHWBXSA-N 1 3 212.337 0.975 20 0 BCADHO OCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157939896 387885956 /nfs/dbraw/zinc/88/59/56/387885956.db2.gz RHWNFUPQQNRWHW-RYUDHWBXSA-N 1 3 212.337 0.975 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423141410 387918173 /nfs/dbraw/zinc/91/81/73/387918173.db2.gz PSHHTJNEIMWMLV-RAIGVLPGSA-N 1 3 226.364 0.983 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131529 387909188 /nfs/dbraw/zinc/90/91/88/387909188.db2.gz OBONBMMTLOZYBT-FVCCEPFGSA-N 1 3 242.363 0.633 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423133975 387910990 /nfs/dbraw/zinc/91/09/90/387910990.db2.gz QYROEHKQPCDSNT-GARJFASQSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423133975 387910994 /nfs/dbraw/zinc/91/09/94/387910994.db2.gz QYROEHKQPCDSNT-GARJFASQSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423133974 387912815 /nfs/dbraw/zinc/91/28/15/387912815.db2.gz QYROEHKQPCDSNT-DCAQKATOSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423133974 387912818 /nfs/dbraw/zinc/91/28/18/387912818.db2.gz QYROEHKQPCDSNT-DCAQKATOSA-N 1 3 200.326 0.735 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000237799552 387927765 /nfs/dbraw/zinc/92/77/65/387927765.db2.gz BEYLXSWJRZHFDU-SNVBAGLBSA-N 1 3 225.336 0.374 20 0 BCADHO Cn1nccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533544 387937708 /nfs/dbraw/zinc/93/77/08/387937708.db2.gz PECOPLUTVMQINP-NSHDSACASA-N 1 3 222.336 0.852 20 0 BCADHO CO[C@H](CN)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424237322 387941914 /nfs/dbraw/zinc/94/19/14/387941914.db2.gz JZXYHNUMBSAWAA-LLVKDONJSA-N 1 3 237.303 0.366 20 0 BCADHO COCC(C)(C)N1CCN(CCC[NH3+])CC1 ZINC000424277863 387950896 /nfs/dbraw/zinc/95/08/96/387950896.db2.gz BCIDIHLUYXOTCE-UHFFFAOYSA-N 1 3 229.368 0.378 20 0 BCADHO C[NH2+]CCCN1CCN(C(C)(C)COC)CC1 ZINC000424334708 387979108 /nfs/dbraw/zinc/97/91/08/387979108.db2.gz NZFQDPNAZLEHCR-UHFFFAOYSA-N 1 3 243.395 0.639 20 0 BCADHO CCN1C[C@H](N[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423194368 387980531 /nfs/dbraw/zinc/98/05/31/387980531.db2.gz RIFYWLYSTIMCIR-SRVKXCTJSA-N 1 3 211.353 0.668 20 0 BCADHO C1CC1[C@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CNCCO1 ZINC000423197122 387981618 /nfs/dbraw/zinc/98/16/18/387981618.db2.gz XZGRVBPTJHVQJQ-UPJWGTAASA-N 1 3 239.363 0.095 20 0 BCADHO C1CC1[C@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CNCCO1 ZINC000423197119 387982580 /nfs/dbraw/zinc/98/25/80/387982580.db2.gz XZGRVBPTJHVQJQ-AGIUHOORSA-N 1 3 239.363 0.095 20 0 BCADHO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424376503 387999017 /nfs/dbraw/zinc/99/90/17/387999017.db2.gz PKUIKMKCCRREMK-IVZWLZJFSA-N 1 3 234.365 0.279 20 0 BCADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CN)CC1=O ZINC000424382738 388000745 /nfs/dbraw/zinc/00/07/45/388000745.db2.gz SLGODUMFAFGHGQ-QJPTWQEYSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229378 388015414 /nfs/dbraw/zinc/01/54/14/388015414.db2.gz BASYYRQXCQEJNA-WZRBSPASSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000446374119 388017448 /nfs/dbraw/zinc/01/74/48/388017448.db2.gz FKNVQCUKBXYISZ-DCAQKATOSA-N 1 3 237.347 0.337 20 0 BCADHO C(N[C@@H](C1CC1)[C@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423234640 388018717 /nfs/dbraw/zinc/01/87/17/388018717.db2.gz MFNJDYAXWDZQRA-XQQFMLRXSA-N 1 3 239.363 0.095 20 0 BCADHO CC[NH2+]CCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423236372 388021325 /nfs/dbraw/zinc/02/13/25/388021325.db2.gz CBKAAUYOHOZEAO-WDEREUQCSA-N 1 3 211.353 0.811 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423256203 388036700 /nfs/dbraw/zinc/03/67/00/388036700.db2.gz BMMSIJQCHRXKFI-UHTWSYAYSA-N 1 3 241.379 0.199 20 0 BCADHO COCCN1CC[C@@H]([NH2+][C@H](CN)CC(C)C)C1 ZINC000423257921 388038586 /nfs/dbraw/zinc/03/85/86/388038586.db2.gz ASNHBGLNSFKRTQ-OLZOCXBDSA-N 1 3 243.395 0.670 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423244856 388028091 /nfs/dbraw/zinc/02/80/91/388028091.db2.gz XWMOPMZQAUYLGW-GRYCIOLGSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CC(F)F ZINC000336657374 388068747 /nfs/dbraw/zinc/06/87/47/388068747.db2.gz LVRQCRCGKXJJCR-SFYZADRCSA-N 1 3 237.294 0.425 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000447507660 388074446 /nfs/dbraw/zinc/07/44/46/388074446.db2.gz ILSLYOSNLJWUTC-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000447518314 388076252 /nfs/dbraw/zinc/07/62/52/388076252.db2.gz NOPSEHKJKZRKSY-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](Cn1cccn1)[NH2+]CCOCCN(C)C ZINC000447596103 388080956 /nfs/dbraw/zinc/08/09/56/388080956.db2.gz PONMSYLMRRGYGP-LBPRGKRZSA-N 1 3 240.351 0.439 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCCOC1 ZINC000447598158 388081760 /nfs/dbraw/zinc/08/17/60/388081760.db2.gz UOKLKBSLBKFDRW-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO COCCN1CC[C@H]([NH2+]C[C@@H](N)C(C)C)C1 ZINC000423271320 388049625 /nfs/dbraw/zinc/04/96/25/388049625.db2.gz IXZQUKPQMSZSPU-NWDGAFQWSA-N 1 3 229.368 0.280 20 0 BCADHO COCCN1CC[C@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423271320 388049629 /nfs/dbraw/zinc/04/96/29/388049629.db2.gz IXZQUKPQMSZSPU-NWDGAFQWSA-N 1 3 229.368 0.280 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](N)CCSC ZINC000083377761 388050366 /nfs/dbraw/zinc/05/03/66/388050366.db2.gz PYKVKJVBHBXXSD-SNVBAGLBSA-N 1 3 247.408 0.525 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCCN(C)C1 ZINC000646185811 388161026 /nfs/dbraw/zinc/16/10/26/388161026.db2.gz KJLRIYRAYGYGDL-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222569 388167580 /nfs/dbraw/zinc/16/75/80/388167580.db2.gz JGZAJBDQCINXRV-MWLCHTKSSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222558 388167606 /nfs/dbraw/zinc/16/76/06/388167606.db2.gz JGZAJBDQCINXRV-GXSJLCMTSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)C1([NH3+])CCC1 ZINC000449320541 388172325 /nfs/dbraw/zinc/17/23/25/388172325.db2.gz OERKIQVJZLCBST-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449328429 388173067 /nfs/dbraw/zinc/17/30/67/388173067.db2.gz JHYQNOYDIRNEAD-SKDRFNHKSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000449328427 388173192 /nfs/dbraw/zinc/17/31/92/388173192.db2.gz JHYQNOYDIRNEAD-CABZTGNLSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000488503327 388183023 /nfs/dbraw/zinc/18/30/23/388183023.db2.gz UKIRAIUTIDFJOQ-VWYCJHECSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000488503327 388183025 /nfs/dbraw/zinc/18/30/25/388183025.db2.gz UKIRAIUTIDFJOQ-VWYCJHECSA-N 1 3 227.352 0.250 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000646012649 388124457 /nfs/dbraw/zinc/12/44/57/388124457.db2.gz UWUZFCYNASVJDT-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CO[C@@H]1COC[C@H]1[NH2+]CC[C@H]1CCCCN1C ZINC000646042437 388130784 /nfs/dbraw/zinc/13/07/84/388130784.db2.gz WNBRFNUAVLPLCR-JHJVBQTASA-N 1 3 242.363 0.864 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1CC ZINC000449078812 388139870 /nfs/dbraw/zinc/13/98/70/388139870.db2.gz YTYOOZCJEMZDLV-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN(CC)C1CC1 ZINC000449115270 388144412 /nfs/dbraw/zinc/14/44/12/388144412.db2.gz LBZAGSWCFVZMNP-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000449112102 388144674 /nfs/dbraw/zinc/14/46/74/388144674.db2.gz BJKNVZULKXBDET-PELKAZGASA-N 1 3 225.336 0.371 20 0 BCADHO NC1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCC1 ZINC000449117669 388145120 /nfs/dbraw/zinc/14/51/20/388145120.db2.gz PJMKFTCKJDGYPI-LLVKDONJSA-N 1 3 239.363 0.892 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000449118536 388145271 /nfs/dbraw/zinc/14/52/71/388145271.db2.gz SNYWYTCHVYZCBV-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000449120348 388145324 /nfs/dbraw/zinc/14/53/24/388145324.db2.gz CQYGVEPVYNJABO-SCVCMEIPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)NC1CC1 ZINC000449120975 388145475 /nfs/dbraw/zinc/14/54/75/388145475.db2.gz GGVJLNZVUITRAU-SCZZXKLOSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)NC1CC1 ZINC000449142490 388147898 /nfs/dbraw/zinc/14/78/98/388147898.db2.gz TUMGFSTZTSFNNP-CMPLNLGQSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000449142493 388147943 /nfs/dbraw/zinc/14/79/43/388147943.db2.gz TUMGFSTZTSFNNP-ZYHUDNBSSA-N 1 3 241.379 0.959 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN(C)C ZINC000449184786 388154890 /nfs/dbraw/zinc/15/48/90/388154890.db2.gz IHUVHBDOBOONEJ-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000449661070 388249783 /nfs/dbraw/zinc/24/97/83/388249783.db2.gz ZAMNIGUKKGZCCA-PSASIEDQSA-N 1 3 249.305 0.617 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661771 388249818 /nfs/dbraw/zinc/24/98/18/388249818.db2.gz DHOMPDGDQWLGNW-SECBINFHSA-N 1 3 249.305 0.440 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000449505909 388217614 /nfs/dbraw/zinc/21/76/14/388217614.db2.gz ZOQHRUFGIQLVQO-LPEHRKFASA-N 1 3 225.336 0.336 20 0 BCADHO CO[C@@H](C)[C@@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000517926061 256553843 /nfs/dbraw/zinc/55/38/43/256553843.db2.gz WPSFQRZHWHJSKE-SCVCMEIPSA-N 1 3 230.352 0.455 20 0 BCADHO CO[C@@H](C)[C@@H](C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000517926061 256553844 /nfs/dbraw/zinc/55/38/44/256553844.db2.gz WPSFQRZHWHJSKE-SCVCMEIPSA-N 1 3 230.352 0.455 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000449505908 388220695 /nfs/dbraw/zinc/22/06/95/388220695.db2.gz ZOQHRUFGIQLVQO-KXUCPTDWSA-N 1 3 225.336 0.336 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646320688 388221616 /nfs/dbraw/zinc/22/16/16/388221616.db2.gz YOVRHEGKDGQQHY-GXFFZTMASA-N 1 3 237.347 0.196 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569497 388235156 /nfs/dbraw/zinc/23/51/56/388235156.db2.gz HMBMDVQETPBJRC-KXNHARMFSA-N 1 3 237.347 0.195 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449599345 388239989 /nfs/dbraw/zinc/23/99/89/388239989.db2.gz GJDFLTWLFAIZTA-CIUDSAMLSA-N 1 3 201.314 0.356 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])N(C)C ZINC000449605912 388241016 /nfs/dbraw/zinc/24/10/16/388241016.db2.gz XHKGTFPDGFIANV-UTLUCORTSA-N 1 3 215.341 0.425 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000449608568 388241914 /nfs/dbraw/zinc/24/19/14/388241914.db2.gz IKABFTBXTUWDAO-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](C(C)C)N(C)C ZINC000449608913 388242123 /nfs/dbraw/zinc/24/21/23/388242123.db2.gz LJAVFVBJGHHGSM-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]([NH3+])CC ZINC000449608955 388242732 /nfs/dbraw/zinc/24/27/32/388242732.db2.gz LRZONCROTDVCLH-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449645161 388247674 /nfs/dbraw/zinc/24/76/74/388247674.db2.gz LGJPCIGXFIDRPZ-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CC[C@H](CN2CCC(O)(C[NH3+])CC2)O1 ZINC000397060933 388284350 /nfs/dbraw/zinc/28/43/50/388284350.db2.gz PTZOEYHMWBUPKB-GHMZBOCLSA-N 1 3 228.336 0.340 20 0 BCADHO COC1(C[NH2+]C[C@@H](C)CN(C)C)CCOCC1 ZINC000491596732 388304665 /nfs/dbraw/zinc/30/46/65/388304665.db2.gz NJUCNDFOHVVICL-GFCCVEGCSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+](CCNC(=O)/C=C\CN(C)C)C1CC1 ZINC000491854573 388324934 /nfs/dbraw/zinc/32/49/34/388324934.db2.gz YHDLYSWZNXAJSL-WAYWQWQTSA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@@H+](CCNC(=O)/C=C\CN(C)C)C1CC1 ZINC000491854573 388324935 /nfs/dbraw/zinc/32/49/35/388324935.db2.gz YHDLYSWZNXAJSL-WAYWQWQTSA-N 1 3 239.363 0.705 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491881093 388326013 /nfs/dbraw/zinc/32/60/13/388326013.db2.gz GCQIPPNYIBUJQC-KRZKBDHCSA-N 1 3 241.379 0.951 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491881093 388326014 /nfs/dbraw/zinc/32/60/14/388326014.db2.gz GCQIPPNYIBUJQC-KRZKBDHCSA-N 1 3 241.379 0.951 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/CN(C)C ZINC000491895459 388326849 /nfs/dbraw/zinc/32/68/49/388326849.db2.gz WONYUCHMAKSCLH-WMADIVHISA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)/C=C/CN(C)C ZINC000491895459 388326850 /nfs/dbraw/zinc/32/68/50/388326850.db2.gz WONYUCHMAKSCLH-WMADIVHISA-N 1 3 239.363 0.705 20 0 BCADHO CC[NH+](CC)CCCNC(=O)/C=C\CN(C)C ZINC000491892827 388326882 /nfs/dbraw/zinc/32/68/82/388326882.db2.gz MOBDKDVKUMTBQX-CLFYSBASSA-N 1 3 241.379 0.952 20 0 BCADHO CN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000491901826 388327027 /nfs/dbraw/zinc/32/70/27/388327027.db2.gz CHUZCESSFKZCQX-XYLWRLHESA-N 1 3 239.363 0.657 20 0 BCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000094460011 256638799 /nfs/dbraw/zinc/63/87/99/256638799.db2.gz QRVWWBVCEYQBPX-QJPTWQEYSA-N 1 3 237.347 0.291 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)/C=C/CN(C)C ZINC000491996790 388331067 /nfs/dbraw/zinc/33/10/67/388331067.db2.gz YNXCXEDQWVIMOI-VQHVLOKHSA-N 1 3 241.379 0.904 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953519 388269108 /nfs/dbraw/zinc/26/91/08/388269108.db2.gz XUCCSJLGMZCWON-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+]CCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953359 388269769 /nfs/dbraw/zinc/26/97/69/388269769.db2.gz QRWNDGBHGDNRBI-NSHDSACASA-N 1 3 225.336 0.326 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000572999242 388404433 /nfs/dbraw/zinc/40/44/33/388404433.db2.gz MYIJYZOUDBVVKL-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000646369508 388346994 /nfs/dbraw/zinc/34/69/94/388346994.db2.gz NBFBJNGIFJNKNP-OUAUKWLOSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646373756 388347205 /nfs/dbraw/zinc/34/72/05/388347205.db2.gz ZUQGNOOTLZFFIB-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@H](C)N1 ZINC000131861522 388353031 /nfs/dbraw/zinc/35/30/31/388353031.db2.gz JBQFACQAFQCAER-PHIMTYICSA-N 1 3 239.363 0.857 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000646484487 388364911 /nfs/dbraw/zinc/36/49/11/388364911.db2.gz QBHXXNOCJMNTEQ-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C ZINC000524652615 388370275 /nfs/dbraw/zinc/37/02/75/388370275.db2.gz VUCZCEOZUWWSCK-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C ZINC000524652615 388370277 /nfs/dbraw/zinc/37/02/77/388370277.db2.gz VUCZCEOZUWWSCK-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCCNCC1 ZINC000572719562 388370303 /nfs/dbraw/zinc/37/03/03/388370303.db2.gz BHPIVBXTMBTMJE-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C ZINC000524652617 388370338 /nfs/dbraw/zinc/37/03/38/388370338.db2.gz VUCZCEOZUWWSCK-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C ZINC000524652617 388370339 /nfs/dbraw/zinc/37/03/39/388370339.db2.gz VUCZCEOZUWWSCK-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000646533961 388377433 /nfs/dbraw/zinc/37/74/33/388377433.db2.gz ZDFGMQFOYRWBCF-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000519654959 256655431 /nfs/dbraw/zinc/65/54/31/256655431.db2.gz WSNUDMAQYMTKRH-BQBZGAKWSA-N 1 3 235.278 0.226 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000236926313 388386545 /nfs/dbraw/zinc/38/65/45/388386545.db2.gz ILQMUVYMCQHWCY-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000236926313 388386546 /nfs/dbraw/zinc/38/65/46/388386546.db2.gz ILQMUVYMCQHWCY-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(CN)c1 ZINC000646578722 388389128 /nfs/dbraw/zinc/38/91/28/388389128.db2.gz BYLHUNWQRAKJOX-LLVKDONJSA-N 1 3 237.303 0.448 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000237235578 388391653 /nfs/dbraw/zinc/39/16/53/388391653.db2.gz VJWREKLGQPOVKD-LBPRGKRZSA-N 1 3 249.358 0.843 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237315494 388392741 /nfs/dbraw/zinc/39/27/41/388392741.db2.gz VTBDKBMVOKAFRD-KXUCPTDWSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000237459984 388394717 /nfs/dbraw/zinc/39/47/17/388394717.db2.gz GKTJZADZFFNCFZ-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000237459984 388394719 /nfs/dbraw/zinc/39/47/19/388394719.db2.gz GKTJZADZFFNCFZ-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CCN1C ZINC000237528855 388395481 /nfs/dbraw/zinc/39/54/81/388395481.db2.gz RVEFRBQVHMUWCM-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000237805187 388397930 /nfs/dbraw/zinc/39/79/30/388397930.db2.gz BCFVVCOMCPKQFL-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000572984550 388402036 /nfs/dbraw/zinc/40/20/36/388402036.db2.gz HIAQVMNECUREGN-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000646730869 388441351 /nfs/dbraw/zinc/44/13/51/388441351.db2.gz GOJBNMSEYZUHFH-WDEREUQCSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H](C)N1CCCCCC1 ZINC000194887601 388454723 /nfs/dbraw/zinc/45/47/23/388454723.db2.gz MEHFBEFVWYYYKP-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO COC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309551807 388456791 /nfs/dbraw/zinc/45/67/91/388456791.db2.gz GELJUDBGEAYUOL-GARJFASQSA-N 1 3 226.320 0.479 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)CC(F)F ZINC000336657353 388459525 /nfs/dbraw/zinc/45/95/25/388459525.db2.gz LVRQCRCGKXJJCR-HTQZYQBOSA-N 1 3 237.294 0.425 20 0 BCADHO C[C@H](O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336659940 388460718 /nfs/dbraw/zinc/46/07/18/388460718.db2.gz BRCROGVSYSKJCR-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@H](O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336659940 388460720 /nfs/dbraw/zinc/46/07/20/388460720.db2.gz BRCROGVSYSKJCR-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000336710103 388466576 /nfs/dbraw/zinc/46/65/76/388466576.db2.gz SZGLCKPMSBJFPQ-BDAKNGLRSA-N 1 3 201.314 0.069 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1NCC1(C)C ZINC000646689359 388417605 /nfs/dbraw/zinc/41/76/05/388417605.db2.gz PHTVMWDMGFNCEN-JTQLQIEISA-N 1 3 227.352 0.489 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCNC2=O)C1 ZINC000573164746 388427929 /nfs/dbraw/zinc/42/79/29/388427929.db2.gz XBQXINRRESWEGQ-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC(C)C ZINC000034754752 388482030 /nfs/dbraw/zinc/48/20/30/388482030.db2.gz KLHMAELHTCGRPJ-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC(C)C ZINC000034754752 388482031 /nfs/dbraw/zinc/48/20/31/388482031.db2.gz KLHMAELHTCGRPJ-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273616 388485032 /nfs/dbraw/zinc/48/50/32/388485032.db2.gz WWFUOFYJFNJQAL-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405797259 388491526 /nfs/dbraw/zinc/49/15/26/388491526.db2.gz QOFRJRNATHAOOX-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@@H]1CNCc2ccccc21 ZINC000646782112 388501400 /nfs/dbraw/zinc/50/14/00/388501400.db2.gz GFKBLVNIHLDFCP-CYBMUJFWSA-N 1 3 247.342 0.681 20 0 BCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000564345786 388527789 /nfs/dbraw/zinc/52/77/89/388527789.db2.gz DAEAJZBBGYZEBY-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000564345786 388527792 /nfs/dbraw/zinc/52/77/92/388527792.db2.gz DAEAJZBBGYZEBY-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000564345809 388527925 /nfs/dbraw/zinc/52/79/25/388527925.db2.gz DAEAJZBBGYZEBY-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000564345809 388527928 /nfs/dbraw/zinc/52/79/28/388527928.db2.gz DAEAJZBBGYZEBY-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC1CC1 ZINC000245969862 388612197 /nfs/dbraw/zinc/61/21/97/388612197.db2.gz NVFUAVBVSMXLGC-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNC1CC1 ZINC000245969862 388612200 /nfs/dbraw/zinc/61/22/00/388612200.db2.gz NVFUAVBVSMXLGC-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000261562691 135204668 /nfs/dbraw/zinc/20/46/68/135204668.db2.gz BNMYPXDTMWHSKE-KXUCPTDWSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000517719694 388557394 /nfs/dbraw/zinc/55/73/94/388557394.db2.gz NOENOZRQFNTTDO-IJLUTSLNSA-N 1 3 239.363 0.490 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000646823377 388558272 /nfs/dbraw/zinc/55/82/72/388558272.db2.gz ZOJVHKVWTZXQHU-QWRGUYRKSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000521041795 388560642 /nfs/dbraw/zinc/56/06/42/388560642.db2.gz ZKGOJWLIGULDMW-WCABBAIRSA-N 1 3 225.336 0.384 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810165 388573403 /nfs/dbraw/zinc/57/34/03/388573403.db2.gz MBDZZULCUKOODP-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810165 388573407 /nfs/dbraw/zinc/57/34/07/388573407.db2.gz MBDZZULCUKOODP-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)CCOCCO)[C@@H](C)C1 ZINC000245421229 388578010 /nfs/dbraw/zinc/57/80/10/388578010.db2.gz HVIRELVYBCESBY-QWHCGFSZSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)CCOCCO)[C@@H](C)C1 ZINC000245421229 388578011 /nfs/dbraw/zinc/57/80/11/388578011.db2.gz HVIRELVYBCESBY-QWHCGFSZSA-N 1 3 244.379 0.657 20 0 BCADHO c1cc2c(cc1N[C@H]1CC[NH2+]C1)OCCNC2 ZINC000530246498 388639703 /nfs/dbraw/zinc/63/97/03/388639703.db2.gz IEIJBQYXLWFDGX-LBPRGKRZSA-N 1 3 233.315 0.942 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@@H]1CCOC1(C)C)C1CC1 ZINC000328470467 388643623 /nfs/dbraw/zinc/64/36/23/388643623.db2.gz ZLLYANTYAMAKSZ-VXGBXAGGSA-N 1 3 242.363 0.599 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCOC1(C)C)C1CC1 ZINC000328470467 388643626 /nfs/dbraw/zinc/64/36/26/388643626.db2.gz ZLLYANTYAMAKSZ-VXGBXAGGSA-N 1 3 242.363 0.599 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(C)[C@@H](C)C2)n1 ZINC000329310764 388650380 /nfs/dbraw/zinc/65/03/80/388650380.db2.gz FWYKQMIUOKSLGE-ONGXEEELSA-N 1 3 237.351 0.728 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(C)[C@@H](C)C2)n1 ZINC000329310759 388650506 /nfs/dbraw/zinc/65/05/06/388650506.db2.gz FWYKQMIUOKSLGE-GXSJLCMTSA-N 1 3 237.351 0.728 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(C)[C@H](C)C2)n1 ZINC000329310761 388650945 /nfs/dbraw/zinc/65/09/45/388650945.db2.gz FWYKQMIUOKSLGE-KOLCDFICSA-N 1 3 237.351 0.728 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128174284 388740063 /nfs/dbraw/zinc/74/00/63/388740063.db2.gz WLZPABIPSLBMOA-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227803352 388758068 /nfs/dbraw/zinc/75/80/68/388758068.db2.gz DMBJQQZIYCDRBZ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CN(CCNC(=O)CCCC[NH+](C)C)C1CC1 ZINC000552362568 388697366 /nfs/dbraw/zinc/69/73/66/388697366.db2.gz CCSNSIBCVIXORF-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)[N@H+](C)C1CC1 ZINC000226398424 388718568 /nfs/dbraw/zinc/71/85/68/388718568.db2.gz PVPCPXNTSMCPCM-MRVPVSSYSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)[N@@H+](C)C1CC1 ZINC000226398424 388718570 /nfs/dbraw/zinc/71/85/70/388718570.db2.gz PVPCPXNTSMCPCM-MRVPVSSYSA-N 1 3 213.325 0.323 20 0 BCADHO CN(C)C(=O)C(C)(C)[NH2+]CC[C@@H]1CCCN1C ZINC000128478753 388762831 /nfs/dbraw/zinc/76/28/31/388762831.db2.gz YDRSMCYTSBJVNH-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000553794142 388789686 /nfs/dbraw/zinc/78/96/86/388789686.db2.gz FYNFAMBDNZTDSR-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000553794142 388789687 /nfs/dbraw/zinc/78/96/87/388789687.db2.gz FYNFAMBDNZTDSR-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000564655214 388884091 /nfs/dbraw/zinc/88/40/91/388884091.db2.gz DRAVHSGPWIVWDJ-VIFPVBQESA-N 1 3 221.304 0.542 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000564956779 388901492 /nfs/dbraw/zinc/90/14/92/388901492.db2.gz SCVXTOXHTFCQNP-VWYCJHECSA-N 1 3 227.352 0.603 20 0 BCADHO COC(=O)CCCN[C@@](C)(C[NH3+])C1CC1 ZINC000564989887 388906955 /nfs/dbraw/zinc/90/69/55/388906955.db2.gz ZGRFUAIIHKNWRQ-NSHDSACASA-N 1 3 214.309 0.657 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000262160932 388907363 /nfs/dbraw/zinc/90/73/63/388907363.db2.gz VBQKYYZICIBDFB-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000262160932 388907366 /nfs/dbraw/zinc/90/73/66/388907366.db2.gz VBQKYYZICIBDFB-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@]1(C(=O)NCCNc2ccncc2)CC[NH2+]C1 ZINC000565304868 388936382 /nfs/dbraw/zinc/93/63/82/388936382.db2.gz HHQZZKMREAIPOR-ZDUSSCGKSA-N 1 3 248.330 0.031 20 0 BCADHO CC[C@H]1CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000565308785 388934569 /nfs/dbraw/zinc/93/45/69/388934569.db2.gz DPHIMRIEVPMNTD-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@H]1CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000565308785 388934566 /nfs/dbraw/zinc/93/45/66/388934566.db2.gz DPHIMRIEVPMNTD-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000565308785 388934571 /nfs/dbraw/zinc/93/45/71/388934571.db2.gz DPHIMRIEVPMNTD-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000565715502 388964783 /nfs/dbraw/zinc/96/47/83/388964783.db2.gz AUQFHLUNIGPQEZ-WCABBAIRSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@@H]1CCN(C(=O)CNC2CC2)C[C@@H]1C[NH3+] ZINC000565410933 388942143 /nfs/dbraw/zinc/94/21/43/388942143.db2.gz BOEOQIMTZAFCIO-ZJUUUORDSA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000566008952 388983752 /nfs/dbraw/zinc/98/37/52/388983752.db2.gz SHKYOFPKMALLCV-NSHDSACASA-N 1 3 249.314 0.844 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@@H](CO)CC(F)F)C1 ZINC000566020380 388984312 /nfs/dbraw/zinc/98/43/12/388984312.db2.gz NULNLSPMAMYXNB-HRDYMLBCSA-N 1 3 222.279 0.862 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@H](CO)CC(F)F)C1 ZINC000566020379 388984992 /nfs/dbraw/zinc/98/49/92/388984992.db2.gz NULNLSPMAMYXNB-HLTSFMKQSA-N 1 3 222.279 0.862 20 0 BCADHO CN1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)CC1=O ZINC000566091319 388987438 /nfs/dbraw/zinc/98/74/38/388987438.db2.gz XFFYOTIXNJLCIJ-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO c1cc(N[C@H]2CC[NH2+]C2)ncc1N1CCNCC1 ZINC000333821039 132245672 /nfs/dbraw/zinc/24/56/72/132245672.db2.gz KWETXNYJGCWRNN-NSHDSACASA-N 1 3 247.346 0.265 20 0 BCADHO [NH3+]CCN1CCN(c2ccncc2)CC1 ZINC000037039472 132343348 /nfs/dbraw/zinc/34/33/48/132343348.db2.gz JYQXMQBFAUXDOF-UHFFFAOYSA-N 1 3 206.293 0.162 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CN1C1CC1 ZINC000336213116 134135595 /nfs/dbraw/zinc/13/55/95/134135595.db2.gz CVVVXOIPVGCNDZ-VHSXEESVSA-N 1 3 237.347 0.609 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213351 134135715 /nfs/dbraw/zinc/13/57/15/134135715.db2.gz NRHZXORENDBSKJ-KOLCDFICSA-N 1 3 237.347 0.467 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC ZINC000358939839 134193160 /nfs/dbraw/zinc/19/31/60/134193160.db2.gz UQHAEWXXHGBWRA-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)N ZINC000168927743 134248628 /nfs/dbraw/zinc/24/86/28/134248628.db2.gz IYHHZVCEUGEVAL-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)N ZINC000168927743 134248629 /nfs/dbraw/zinc/24/86/29/134248629.db2.gz IYHHZVCEUGEVAL-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000169027018 134248768 /nfs/dbraw/zinc/24/87/68/134248768.db2.gz AQJGYHUARXRVER-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000169027091 134249162 /nfs/dbraw/zinc/24/91/62/134249162.db2.gz AQJGYHUARXRVER-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H](C)N1 ZINC000178409891 134309976 /nfs/dbraw/zinc/30/99/76/134309976.db2.gz CTUAVQKKMACZPN-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178774291 134311511 /nfs/dbraw/zinc/31/15/11/134311511.db2.gz MYZPJUKICBEDCP-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC)[C@H](C)C1 ZINC000178814054 134315792 /nfs/dbraw/zinc/31/57/92/134315792.db2.gz JECQIJLBTFMYMS-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC)[C@H](C)C1 ZINC000178814054 134315793 /nfs/dbraw/zinc/31/57/93/134315793.db2.gz JECQIJLBTFMYMS-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH3+])CN1C1CC1 ZINC000178867505 134315976 /nfs/dbraw/zinc/31/59/76/134315976.db2.gz KDNRQSQPUVZHGU-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO O[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418977 134332215 /nfs/dbraw/zinc/33/22/15/134332215.db2.gz VCUGZOOXABFCSJ-XQQFMLRXSA-N 1 3 240.347 0.354 20 0 BCADHO O[C@]1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418977 134332216 /nfs/dbraw/zinc/33/22/16/134332216.db2.gz VCUGZOOXABFCSJ-XQQFMLRXSA-N 1 3 240.347 0.354 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@H](C)N1 ZINC000180897426 134332256 /nfs/dbraw/zinc/33/22/56/134332256.db2.gz CCXSHRITHOQCED-LOWVWBTDSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000181276660 134335337 /nfs/dbraw/zinc/33/53/37/134335337.db2.gz DUDDSEWVPALAOX-SNVBAGLBSA-N 1 3 241.379 0.866 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000226082706 134358462 /nfs/dbraw/zinc/35/84/62/134358462.db2.gz ZFUNWELBFSVSTP-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CNCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184224874 134361188 /nfs/dbraw/zinc/36/11/88/134361188.db2.gz LSMKUSMHLPJPNP-UHFFFAOYSA-N 1 3 221.304 0.193 20 0 BCADHO CN1CCC[C@@H]2C[N@H+](CCOCCO)CC[C@H]21 ZINC000227342771 134378335 /nfs/dbraw/zinc/37/83/35/134378335.db2.gz FTNBVPNCVNTAER-CHWSQXEVSA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC[C@@H]2C[N@@H+](CCOCCO)CC[C@H]21 ZINC000227342771 134378336 /nfs/dbraw/zinc/37/83/36/134378336.db2.gz FTNBVPNCVNTAER-CHWSQXEVSA-N 1 3 242.363 0.411 20 0 BCADHO CO[C@@H](CN)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000227374696 134379098 /nfs/dbraw/zinc/37/90/98/134379098.db2.gz RJISTIIZCYCJKA-QWRGUYRKSA-N 1 3 245.367 0.053 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000130183492 134617221 /nfs/dbraw/zinc/61/72/21/134617221.db2.gz FCHMZIVPZNAJNF-NXEZZACHSA-N 1 3 243.376 0.031 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559739 134634671 /nfs/dbraw/zinc/63/46/71/134634671.db2.gz DAGZUZYRQNQLFB-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000246258837 134882061 /nfs/dbraw/zinc/88/20/61/134882061.db2.gz KUMQAUPQSMGDDG-HOSYDEDBSA-N 1 3 243.326 0.322 20 0 BCADHO CN(C)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250358572 135053119 /nfs/dbraw/zinc/05/31/19/135053119.db2.gz QZXGXEBDDLRJKD-NEPJUHHUSA-N 1 3 211.353 0.764 20 0 BCADHO CN(C)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250358572 135053122 /nfs/dbraw/zinc/05/31/22/135053122.db2.gz QZXGXEBDDLRJKD-NEPJUHHUSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H](O)[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251041622 135061896 /nfs/dbraw/zinc/06/18/96/135061896.db2.gz LLMDEEHJTSSGNA-YFKTTZPYSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251041622 135061899 /nfs/dbraw/zinc/06/18/99/135061899.db2.gz LLMDEEHJTSSGNA-YFKTTZPYSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000251041618 135062337 /nfs/dbraw/zinc/06/23/37/135062337.db2.gz LLMDEEHJTSSGNA-FIQHERPVSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000251041618 135062339 /nfs/dbraw/zinc/06/23/39/135062339.db2.gz LLMDEEHJTSSGNA-FIQHERPVSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251198569 135066364 /nfs/dbraw/zinc/06/63/64/135066364.db2.gz KFNZBTPDCRCACF-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251198569 135066366 /nfs/dbraw/zinc/06/63/66/135066366.db2.gz KFNZBTPDCRCACF-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO COC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700617 135095106 /nfs/dbraw/zinc/09/51/06/135095106.db2.gz GFAMJCNRBUNIRK-QWHCGFSZSA-N 1 3 244.379 0.704 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000262367796 135118269 /nfs/dbraw/zinc/11/82/69/135118269.db2.gz LIGJQMZWXRHVAE-MWLCHTKSSA-N 1 3 245.392 0.135 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258657956 135132766 /nfs/dbraw/zinc/13/27/66/135132766.db2.gz SKMCYAZBDLNUEX-QWRGUYRKSA-N 1 3 240.351 0.132 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258657951 135132820 /nfs/dbraw/zinc/13/28/20/135132820.db2.gz SKMCYAZBDLNUEX-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000258416252 135133001 /nfs/dbraw/zinc/13/30/01/135133001.db2.gz IZQHUBGGEJFXMT-QWRGUYRKSA-N 1 3 240.351 0.132 20 0 BCADHO CCOC[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000261530171 135157472 /nfs/dbraw/zinc/15/74/72/135157472.db2.gz XPVVRBQCGRBEDU-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO CCOC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000261530171 135157474 /nfs/dbraw/zinc/15/74/74/135157474.db2.gz XPVVRBQCGRBEDU-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1CN)C1CC1 ZINC000261531193 135159639 /nfs/dbraw/zinc/15/96/39/135159639.db2.gz FPPLFZYUMVTGMB-DLOVCJGASA-N 1 3 212.337 0.864 20 0 BCADHO OCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000087647753 135161339 /nfs/dbraw/zinc/16/13/39/135161339.db2.gz FJHUOXOJDQBGNG-LBPRGKRZSA-N 1 3 212.337 0.690 20 0 BCADHO OCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000087647753 135161340 /nfs/dbraw/zinc/16/13/40/135161340.db2.gz FJHUOXOJDQBGNG-LBPRGKRZSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@H](O)C[C@@H]1CCCN1CC(C)(C)[NH3+] ZINC000261538576 135176110 /nfs/dbraw/zinc/17/61/10/135176110.db2.gz YPZASNNSXXQWSF-ZJUUUORDSA-N 1 3 200.326 0.959 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCCN1 ZINC000261541699 135181885 /nfs/dbraw/zinc/18/18/85/135181885.db2.gz GCXXTDCDPSPACX-NXEZZACHSA-N 1 3 213.325 0.243 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000261541700 135182170 /nfs/dbraw/zinc/18/21/70/135182170.db2.gz GCXXTDCDPSPACX-ZJUUUORDSA-N 1 3 213.325 0.243 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000261544483 135185106 /nfs/dbraw/zinc/18/51/06/135185106.db2.gz YRGDUHRTSZKUQO-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(CN1CCC2(C1)CC[NH2+]CC2)NC1CC1 ZINC000261544984 135186049 /nfs/dbraw/zinc/18/60/49/135186049.db2.gz FLQRERCPHYPXNG-UHFFFAOYSA-N 1 3 237.347 0.341 20 0 BCADHO CC1(C)CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261551154 135190413 /nfs/dbraw/zinc/19/04/13/135190413.db2.gz QFIANAOPNFPWSO-ZYHUDNBSSA-N 1 3 212.337 0.689 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCNC(C)(C)C1 ZINC000261552654 135192035 /nfs/dbraw/zinc/19/20/35/135192035.db2.gz RQKXMCXIVRKYCB-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000261556865 135197301 /nfs/dbraw/zinc/19/73/01/135197301.db2.gz WKSVHFQDMAEJGA-ZJUUUORDSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@H](O)[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261560374 135201539 /nfs/dbraw/zinc/20/15/39/135201539.db2.gz ZULZKWFFQGOQOA-SDDRHHMPSA-N 1 3 212.337 0.689 20 0 BCADHO CN1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000261584548 135225883 /nfs/dbraw/zinc/22/58/83/135225883.db2.gz PXXUYJCUVGVEAK-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO COC(=O)[C@@H]1CC[N@H+](CC(C)(C)N)[C@H]1C ZINC000261587031 135228584 /nfs/dbraw/zinc/22/85/84/135228584.db2.gz ROIRNQGLVYZCBK-DTWKUNHWSA-N 1 3 214.309 0.607 20 0 BCADHO COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)N)[C@H]1C ZINC000261587031 135228585 /nfs/dbraw/zinc/22/85/85/135228585.db2.gz ROIRNQGLVYZCBK-DTWKUNHWSA-N 1 3 214.309 0.607 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261591120 135231790 /nfs/dbraw/zinc/23/17/90/135231790.db2.gz VBQALCPADZHATO-HGNGGELXSA-N 1 3 213.325 0.213 20 0 BCADHO CN(C[C@@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547165 135240472 /nfs/dbraw/zinc/24/04/72/135240472.db2.gz LYOZCIQPKAIBEK-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)[C@H](C)CC ZINC000261547595 135241303 /nfs/dbraw/zinc/24/13/03/135241303.db2.gz MOPJEKJYSCMILW-BBBLOLIVSA-N 1 3 215.341 0.474 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261650001 135242622 /nfs/dbraw/zinc/24/26/22/135242622.db2.gz FJROVMJVEZYKEZ-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261641473 135242924 /nfs/dbraw/zinc/24/29/24/135242924.db2.gz GJXNVXFLCHEJFT-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000261693634 135245706 /nfs/dbraw/zinc/24/57/06/135245706.db2.gz BPQSFNSFNGIRRA-GRYCIOLGSA-N 1 3 212.337 0.546 20 0 BCADHO COC(=O)[C@@]1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261716680 135247345 /nfs/dbraw/zinc/24/73/45/135247345.db2.gz FFKNHJZTGJLLBK-STQMWFEESA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@]1(C)C[N@H+](CC(C)(C)N)C[C@H]1C ZINC000261749157 135249690 /nfs/dbraw/zinc/24/96/90/135249690.db2.gz CALNACDMDFHTTQ-BXKDBHETSA-N 1 3 228.336 0.855 20 0 BCADHO COC(=O)[C@]1(C)C[N@@H+](CC(C)(C)N)C[C@H]1C ZINC000261749157 135249691 /nfs/dbraw/zinc/24/96/91/135249691.db2.gz CALNACDMDFHTTQ-BXKDBHETSA-N 1 3 228.336 0.855 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)CN1 ZINC000261801775 135254636 /nfs/dbraw/zinc/25/46/36/135254636.db2.gz MPXPPDZBRQCJMU-NOOOWODRSA-N 1 3 239.363 0.713 20 0 BCADHO COC[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261825094 135255801 /nfs/dbraw/zinc/25/58/01/135255801.db2.gz IOUGWVZZMCVUFG-YPMHNXCESA-N 1 3 242.363 0.722 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000261830883 135255961 /nfs/dbraw/zinc/25/59/61/135255961.db2.gz NDMSVVJZWIYGER-AXFHLTTASA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000261826348 135256115 /nfs/dbraw/zinc/25/61/15/135256115.db2.gz ISTJNHUCAZSBBE-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000261882545 135260015 /nfs/dbraw/zinc/26/00/15/135260015.db2.gz RXUCZJRICWACDQ-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000261900092 135260723 /nfs/dbraw/zinc/26/07/23/135260723.db2.gz YVSGLVHKLAHNFD-YWVKMMECSA-N 1 3 225.336 0.323 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261923076 135263628 /nfs/dbraw/zinc/26/36/28/135263628.db2.gz IUYHBGQZXGIHAT-NHCYSSNCSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)N(CC)CC ZINC000261925207 135263867 /nfs/dbraw/zinc/26/38/67/135263867.db2.gz JXPCGOXLPGZINK-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000262018217 135273048 /nfs/dbraw/zinc/27/30/48/135273048.db2.gz ACKNLJNAKHNLHF-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC1(C)CNC(=O)CN1CC1CC[NH2+]CC1 ZINC000262051667 135275836 /nfs/dbraw/zinc/27/58/36/135275836.db2.gz ZRBLLFSBFBOCPM-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342576631 135291065 /nfs/dbraw/zinc/29/10/65/135291065.db2.gz AHFZPAREJCQFTK-AAEUAGOBSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342576633 135291087 /nfs/dbraw/zinc/29/10/87/135291087.db2.gz AHFZPAREJCQFTK-WCQYABFASA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCCC[C@H]1C ZINC000262338331 135294084 /nfs/dbraw/zinc/29/40/84/135294084.db2.gz HOMLMPPIGYMTLL-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)C1(N)CCCC1 ZINC000262406183 135295670 /nfs/dbraw/zinc/29/56/70/135295670.db2.gz BOBJOHXMOYHJOK-UHFFFAOYSA-N 1 3 227.352 0.892 20 0 BCADHO C[NH2+]CCC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000262388596 135298605 /nfs/dbraw/zinc/29/86/05/135298605.db2.gz NZJWYVBBWUZUPK-LLVKDONJSA-N 1 3 245.392 0.149 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCCCN1 ZINC000262439571 135299191 /nfs/dbraw/zinc/29/91/91/135299191.db2.gz MUXVGXWPXZVMPJ-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000262450238 135300251 /nfs/dbraw/zinc/30/02/51/135300251.db2.gz VUWOFWMCVLHIBO-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)(N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262469479 135300783 /nfs/dbraw/zinc/30/07/83/135300783.db2.gz ZNGLAMSUAQTNNC-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000262484048 135302007 /nfs/dbraw/zinc/30/20/07/135302007.db2.gz ZWKDAFUINGZCAS-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)c1cccc(CN(C)C)c1 ZINC000262551350 135305524 /nfs/dbraw/zinc/30/55/24/135305524.db2.gz YMXTYAKKCXOTET-JTQLQIEISA-N 1 3 235.331 0.825 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000262589546 135306977 /nfs/dbraw/zinc/30/69/77/135306977.db2.gz ZHJVTGWTNPTADW-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342745128 135310186 /nfs/dbraw/zinc/31/01/86/135310186.db2.gz UNTJIRDDQZZKPR-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342753323 135311956 /nfs/dbraw/zinc/31/19/56/135311956.db2.gz PQTOIRXSWJOPIO-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)N(C)C ZINC000342711494 135314102 /nfs/dbraw/zinc/31/41/02/135314102.db2.gz LXYCRBULAPQKQN-QWRGUYRKSA-N 1 3 227.352 0.298 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262715800 135315926 /nfs/dbraw/zinc/31/59/26/135315926.db2.gz DMZRHXNASMFXSX-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCCN2)CC[NH2+]1 ZINC000262787166 135318111 /nfs/dbraw/zinc/31/81/11/135318111.db2.gz CUBWSNLBXHDGHC-WZRBSPASSA-N 1 3 239.363 0.775 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(N)CCCCC1 ZINC000334325510 135353956 /nfs/dbraw/zinc/35/39/56/135353956.db2.gz KRGRDCQINLCVKK-QWRGUYRKSA-N 1 3 239.363 0.844 20 0 BCADHO CCN1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000089745773 135540339 /nfs/dbraw/zinc/54/03/39/135540339.db2.gz XCQLQPRDHNQAEB-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523711 135594028 /nfs/dbraw/zinc/59/40/28/135594028.db2.gz DXHDBIXMMBEHCD-OUAUKWLOSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000193545544 135599654 /nfs/dbraw/zinc/59/96/54/135599654.db2.gz ALTKNOAHQHZACR-DCAQKATOSA-N 1 3 225.336 0.385 20 0 BCADHO CCC[N@H+](CCO)CCN1CCN(CC)CC1 ZINC000344124568 135745093 /nfs/dbraw/zinc/74/50/93/135745093.db2.gz GJTLRWCJIPTMTP-UHFFFAOYSA-N 1 3 243.395 0.328 20 0 BCADHO CCC[N@@H+](CCO)CCN1CCN(CC)CC1 ZINC000344124568 135745094 /nfs/dbraw/zinc/74/50/94/135745094.db2.gz GJTLRWCJIPTMTP-UHFFFAOYSA-N 1 3 243.395 0.328 20 0 BCADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000335183218 135965686 /nfs/dbraw/zinc/96/56/86/135965686.db2.gz DFXIFKRMUGCTDY-QWRGUYRKSA-N 1 3 237.347 0.326 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(N)CCCC1 ZINC000335290623 135998183 /nfs/dbraw/zinc/99/81/83/135998183.db2.gz KUWNCVJGSOHZTO-VHSXEESVSA-N 1 3 225.336 0.372 20 0 BCADHO CN(C)[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000347759251 136011896 /nfs/dbraw/zinc/01/18/96/136011896.db2.gz RVOCFQXGXPOKHB-CYBMUJFWSA-N 1 3 236.363 0.989 20 0 BCADHO CN(C)[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347759251 136011897 /nfs/dbraw/zinc/01/18/97/136011897.db2.gz RVOCFQXGXPOKHB-CYBMUJFWSA-N 1 3 236.363 0.989 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(N)CCCC1 ZINC000335327682 136052522 /nfs/dbraw/zinc/05/25/22/136052522.db2.gz JRPDIKWXGBPFNA-VHSXEESVSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H](NC(=O)c1ccc2c(c1)CNC2)[C@H](C)[NH3+] ZINC000335357508 136074698 /nfs/dbraw/zinc/07/46/98/136074698.db2.gz BSVOLEXWTLMQDX-DTWKUNHWSA-N 1 3 233.315 0.755 20 0 BCADHO C[C@H]1NCCN(C(=O)NCC(C)(C)[NH3+])[C@H]1C ZINC000335361645 136081051 /nfs/dbraw/zinc/08/10/51/136081051.db2.gz UCDWFLLPGSWDLW-BDAKNGLRSA-N 1 3 228.340 0.116 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382285 136087878 /nfs/dbraw/zinc/08/78/78/136087878.db2.gz XKEAQAUTAUIYAS-GFCCVEGCSA-N 1 3 239.363 0.811 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000335390540 136090778 /nfs/dbraw/zinc/09/07/78/136090778.db2.gz PMNYNSJBEIBSLH-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CNCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000335396297 136092436 /nfs/dbraw/zinc/09/24/36/136092436.db2.gz OGKLFNNVKZFXBV-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO NCC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000335397023 136093104 /nfs/dbraw/zinc/09/31/04/136093104.db2.gz RLSAPWGZWZDGCR-GXSJLCMTSA-N 1 3 237.278 0.038 20 0 BCADHO CC1(C)CN(C(=O)C[C@@H]2CC[NH2+]C2)CCN1 ZINC000335596793 136105039 /nfs/dbraw/zinc/10/50/39/136105039.db2.gz BKGZAXDZJNMJJU-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+]C[C@@H](NC[C@H]1CNCCO1)C1CCCCC1 ZINC000662276146 487528818 /nfs/dbraw/zinc/52/88/18/487528818.db2.gz FXCNYIUMQMSNCG-CHWSQXEVSA-N 1 3 241.379 0.472 20 0 BCADHO CNCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165322787 397750895 /nfs/dbraw/zinc/75/08/95/397750895.db2.gz DEOYVNODXRSOBH-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CNCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165322787 397750897 /nfs/dbraw/zinc/75/08/97/397750897.db2.gz DEOYVNODXRSOBH-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H](C)N1 ZINC000644087173 397754715 /nfs/dbraw/zinc/75/47/15/397754715.db2.gz HSQGSZIDNJAQPI-OPRDCNLKSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@]1(CNC(=O)[C@H]2C[C@H](F)CN2)CCC[NH2+]C1 ZINC000446360056 397947520 /nfs/dbraw/zinc/94/75/20/397947520.db2.gz OIHBPECQXZLMPS-UMNHJUIQSA-N 1 3 243.326 0.192 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446361268 397947721 /nfs/dbraw/zinc/94/77/21/397947721.db2.gz ZQPMXXPMAKTRNR-GXSJLCMTSA-N 1 3 243.326 0.239 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000449554864 397954958 /nfs/dbraw/zinc/95/49/58/397954958.db2.gz FESRBPPVIPNJQG-SCVCMEIPSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000418202183 397991897 /nfs/dbraw/zinc/99/18/97/397991897.db2.gz IQXFQWRIVDZFDN-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953161 398009562 /nfs/dbraw/zinc/00/95/62/398009562.db2.gz FVGXRAPNDJIGBH-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO CN(C(=O)CCCC[NH3+])[C@H]1CN2CCC1CC2 ZINC000383861229 398047240 /nfs/dbraw/zinc/04/72/40/398047240.db2.gz YXHSJPGYZNQPID-LBPRGKRZSA-N 1 3 239.363 0.668 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000564731741 398039208 /nfs/dbraw/zinc/03/92/08/398039208.db2.gz HJYJNHBITJXNLN-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CN1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000384071701 398064922 /nfs/dbraw/zinc/06/49/22/398064922.db2.gz VKNDFBBUWWRYIL-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CNCCC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414863001 398068503 /nfs/dbraw/zinc/06/85/03/398068503.db2.gz WOLSIOFHRQIPAR-UHFFFAOYSA-N 1 3 228.336 0.917 20 0 BCADHO CN(C)C/C=C\C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000491852839 398075428 /nfs/dbraw/zinc/07/54/28/398075428.db2.gz UJWYFCIZTABJLK-ISALQUGTSA-N 1 3 225.336 0.267 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000491852839 398075430 /nfs/dbraw/zinc/07/54/30/398075430.db2.gz UJWYFCIZTABJLK-ISALQUGTSA-N 1 3 225.336 0.267 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646703594 398084756 /nfs/dbraw/zinc/08/47/56/398084756.db2.gz QPWHTGBBKNVUBB-WDEREUQCSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000309295375 398119140 /nfs/dbraw/zinc/11/91/40/398119140.db2.gz WYKHOPFGQNAUQQ-ONGXEEELSA-N 1 3 225.336 0.276 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CCOC1 ZINC000309202941 398113956 /nfs/dbraw/zinc/11/39/56/398113956.db2.gz BUMVYGQBNQLWKE-NEPJUHHUSA-N 1 3 230.352 0.267 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CCOC1 ZINC000309202941 398113958 /nfs/dbraw/zinc/11/39/58/398113958.db2.gz BUMVYGQBNQLWKE-NEPJUHHUSA-N 1 3 230.352 0.267 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000334953653 398122004 /nfs/dbraw/zinc/12/20/04/398122004.db2.gz SNSRZQIKVRHTDA-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)N)CC2 ZINC000236813506 167035117 /nfs/dbraw/zinc/03/51/17/167035117.db2.gz NKUZSVLYKJCLPC-TUAOUCFPSA-N 1 3 239.363 0.807 20 0 BCADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)N)CC2 ZINC000236813506 167035119 /nfs/dbraw/zinc/03/51/19/167035119.db2.gz NKUZSVLYKJCLPC-TUAOUCFPSA-N 1 3 239.363 0.807 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000157727018 487578523 /nfs/dbraw/zinc/57/85/23/487578523.db2.gz IEVOZWRWVGXTGM-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000157727018 487578528 /nfs/dbraw/zinc/57/85/28/487578528.db2.gz IEVOZWRWVGXTGM-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000565539950 322916055 /nfs/dbraw/zinc/91/60/55/322916055.db2.gz RWWVGVVQIZCLHO-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662263836 409559777 /nfs/dbraw/zinc/55/97/77/409559777.db2.gz OUBKGUCVFQWMBJ-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662263836 409559784 /nfs/dbraw/zinc/55/97/84/409559784.db2.gz OUBKGUCVFQWMBJ-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO Cn1cncc1CCC[NH2+]CC1(N)CCC1 ZINC000662266273 409563429 /nfs/dbraw/zinc/56/34/29/409563429.db2.gz LBTVKYSJCVLYJQ-UHFFFAOYSA-N 1 3 222.336 0.824 20 0 BCADHO Cn1cncc1CCCNCC1([NH3+])CCC1 ZINC000662266273 409563433 /nfs/dbraw/zinc/56/34/33/409563433.db2.gz LBTVKYSJCVLYJQ-UHFFFAOYSA-N 1 3 222.336 0.824 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CC[C@H]1[NH3+] ZINC000662243796 409531868 /nfs/dbraw/zinc/53/18/68/409531868.db2.gz KGKNFTAOHXSOAC-GRYCIOLGSA-N 1 3 239.363 0.177 20 0 BCADHO CC[C@@H]1CN(C[C@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662270759 409572814 /nfs/dbraw/zinc/57/28/14/409572814.db2.gz MWJJVOMOZOFUFA-IJLUTSLNSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCC[C@@H](N2CCC(CC[NH3+])CC2)C1=O ZINC000662284809 409614780 /nfs/dbraw/zinc/61/47/80/409614780.db2.gz PODASUQHRXKEGH-GFCCVEGCSA-N 1 3 239.363 0.668 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662404959 409699227 /nfs/dbraw/zinc/69/92/27/409699227.db2.gz SVHAWFOBQOVPGC-NSHDSACASA-N 1 3 245.326 0.506 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662423880 409708474 /nfs/dbraw/zinc/70/84/74/409708474.db2.gz OXOGMZUIBLTNFL-NSHDSACASA-N 1 3 239.363 0.761 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000662515531 409743986 /nfs/dbraw/zinc/74/39/86/409743986.db2.gz VUFJITSQAUBIQQ-AXFHLTTASA-N 1 3 225.336 0.147 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662537558 409748800 /nfs/dbraw/zinc/74/88/00/409748800.db2.gz CFVSNJIMLBDUCI-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCCC1 ZINC000662668912 409830493 /nfs/dbraw/zinc/83/04/93/409830493.db2.gz SMOHSWXYRUTZFE-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H](C)C[NH3+] ZINC000662692720 409841073 /nfs/dbraw/zinc/84/10/73/409841073.db2.gz FYPHDAUGKJLJDN-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO O=C(NCCN1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653105786 409797887 /nfs/dbraw/zinc/79/78/87/409797887.db2.gz JPOVTQYTXBVUGK-LBPRGKRZSA-N 1 3 239.363 0.588 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC1([NH3+])CCCC1 ZINC000662656129 409818119 /nfs/dbraw/zinc/81/81/19/409818119.db2.gz UZLLQFQTGNQYDC-LLVKDONJSA-N 1 3 227.352 0.892 20 0 BCADHO C[C@@H](CCNC(=O)[C@H]1C[C@H](C)CCN1)[NH+](C)C ZINC000662859122 409957816 /nfs/dbraw/zinc/95/78/16/409957816.db2.gz KCRSXNATCXDHRP-GRYCIOLGSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)CN1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000055079559 409958141 /nfs/dbraw/zinc/95/81/41/409958141.db2.gz BYDBJBQKGZSOEL-CYBMUJFWSA-N 1 3 225.380 0.870 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)C(C)C ZINC000308885887 409934944 /nfs/dbraw/zinc/93/49/44/409934944.db2.gz VVRCORCGOJFGAP-SECBINFHSA-N 1 3 201.314 0.086 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662835018 409945497 /nfs/dbraw/zinc/94/54/97/409945497.db2.gz KAYXFYLKSYZDIH-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662835016 409947216 /nfs/dbraw/zinc/94/72/16/409947216.db2.gz KAYXFYLKSYZDIH-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839429 409948619 /nfs/dbraw/zinc/94/86/19/409948619.db2.gz QPRWLDURWSQYMO-IJLUTSLNSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839429 409948623 /nfs/dbraw/zinc/94/86/23/409948623.db2.gz QPRWLDURWSQYMO-IJLUTSLNSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844946 409949653 /nfs/dbraw/zinc/94/96/53/409949653.db2.gz JAMPXYIWEZTVMO-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176265 410151515 /nfs/dbraw/zinc/15/15/15/410151515.db2.gz OFJPOWDJAHSGJI-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176265 410151520 /nfs/dbraw/zinc/15/15/20/410151520.db2.gz OFJPOWDJAHSGJI-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CN[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000655410964 410213021 /nfs/dbraw/zinc/21/30/21/410213021.db2.gz LGGQXVRDQLVPIH-QMMMGPOBSA-N 1 3 207.277 0.692 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653240097 410181685 /nfs/dbraw/zinc/18/16/85/410181685.db2.gz JWCVZVQRSFTVBU-MXWKQRLJSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]1CCCN(C(=O)CNC2CC2)[C@H]1CC[NH3+] ZINC000653239808 410181877 /nfs/dbraw/zinc/18/18/77/410181877.db2.gz FQEFGTVOLYQRKT-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H]([NH3+])CNCc1nc2c(s1)CNCC2 ZINC000663498744 410275867 /nfs/dbraw/zinc/27/58/67/410275867.db2.gz TVQCHPWNWAYMNM-MRVPVSSYSA-N 1 3 240.376 0.616 20 0 BCADHO Cc1cc(CNCCC2(C[NH3+])CC2)nn1C ZINC000650713874 410344780 /nfs/dbraw/zinc/34/47/80/410344780.db2.gz HJBVFFPJRMRWLU-UHFFFAOYSA-N 1 3 222.336 0.947 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@H]2C[C@@H]2C)C[C@H]1CN ZINC000650714654 410348716 /nfs/dbraw/zinc/34/87/16/410348716.db2.gz WTVMWMWIXYPZMX-IRCOFANPSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2C)C[C@H]1CN ZINC000650714654 410348721 /nfs/dbraw/zinc/34/87/21/410348721.db2.gz WTVMWMWIXYPZMX-IRCOFANPSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1CN(C[C@H]2C[C@@H]2C)C[C@H]1C[NH3+] ZINC000650714654 410348726 /nfs/dbraw/zinc/34/87/26/410348726.db2.gz WTVMWMWIXYPZMX-IRCOFANPSA-N 1 3 212.337 0.938 20 0 BCADHO [NH3+]CCCN[C@@H]1CNc2ccccc2C1 ZINC000650715170 410351022 /nfs/dbraw/zinc/35/10/22/410351022.db2.gz SJUBIRHHLFDMGP-NSHDSACASA-N 1 3 205.305 0.962 20 0 BCADHO NCCC[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650715170 410351028 /nfs/dbraw/zinc/35/10/28/410351028.db2.gz SJUBIRHHLFDMGP-NSHDSACASA-N 1 3 205.305 0.962 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000650743043 410376912 /nfs/dbraw/zinc/37/69/12/410376912.db2.gz KZZUPXOPTCLTBO-YTWAJWBKSA-N 1 3 225.336 0.500 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C ZINC000130434744 410399176 /nfs/dbraw/zinc/39/91/76/410399176.db2.gz LRLSJUZKEPWLJN-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130363052 410400065 /nfs/dbraw/zinc/40/00/65/410400065.db2.gz RVSVTAQDUIDYCS-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N(C)CCN1CCCCC1 ZINC000653274791 410554802 /nfs/dbraw/zinc/55/48/02/410554802.db2.gz OLHNJFPBAMQITM-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO C[NH2+]CCC(=O)N(C)CCN1CCCCC1 ZINC000653274945 410557476 /nfs/dbraw/zinc/55/74/76/410557476.db2.gz SGYUNLWAAVZNFT-UHFFFAOYSA-N 1 3 227.352 0.540 20 0 BCADHO NC1(C(=O)N2CCC([NH3+])CC2)CCCC1 ZINC000309278541 410701203 /nfs/dbraw/zinc/70/12/03/410701203.db2.gz FCVIACMPHRJBKI-UHFFFAOYSA-N 1 3 211.309 0.208 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665262141 410736427 /nfs/dbraw/zinc/73/64/27/410736427.db2.gz VDAWNOAPKRAMCT-YVECIDJPSA-N 1 3 242.363 0.504 20 0 BCADHO CC[C@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1[NH3+] ZINC000393734752 410756474 /nfs/dbraw/zinc/75/64/74/410756474.db2.gz ASOHOKQKTNGETF-IUCAKERBSA-N 1 3 211.309 0.064 20 0 BCADHO c1ncn(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000394303697 410784332 /nfs/dbraw/zinc/78/43/32/410784332.db2.gz SYHZHBFXJBEZMA-QWHCGFSZSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000394303697 410784338 /nfs/dbraw/zinc/78/43/38/410784338.db2.gz SYHZHBFXJBEZMA-QWHCGFSZSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)n1 ZINC000394303697 410784344 /nfs/dbraw/zinc/78/43/44/410784344.db2.gz SYHZHBFXJBEZMA-QWHCGFSZSA-N 1 3 249.362 0.885 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309307556 410789797 /nfs/dbraw/zinc/78/97/97/410789797.db2.gz WCHGBKCVGCABEV-DTWKUNHWSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)NC(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000082475016 167052058 /nfs/dbraw/zinc/05/20/58/167052058.db2.gz XPIJFBWLNJRVDE-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309252481 410911753 /nfs/dbraw/zinc/91/17/53/410911753.db2.gz FJSZASAGEGUWSQ-ONGXEEELSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)[C@@H](C(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000236710833 167341994 /nfs/dbraw/zinc/34/19/94/167341994.db2.gz UBWRVBVHRPGGKH-MCIGGMRASA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)N(C)C ZINC000341255083 167342555 /nfs/dbraw/zinc/34/25/55/167342555.db2.gz GTPPDMSJMVXDFG-NEPJUHHUSA-N 1 3 243.395 0.887 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000236711468 167345164 /nfs/dbraw/zinc/34/51/64/167345164.db2.gz OCMQGSDZOOEWCP-QWRGUYRKSA-N 1 3 227.352 0.441 20 0 BCADHO CCO[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000042425536 411007273 /nfs/dbraw/zinc/00/72/73/411007273.db2.gz UFEKXGIPCBOPQU-CYBMUJFWSA-N 1 3 241.379 0.393 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(C)C1)[C@@H](C)[NH3+] ZINC000399692550 411059591 /nfs/dbraw/zinc/05/95/91/411059591.db2.gz YMKBNQUSGLNPRO-WOPDTQHZSA-N 1 3 241.379 0.816 20 0 BCADHO CN(CC(=O)NCC[NH3+])CC(C)(C)C ZINC000045068391 411143940 /nfs/dbraw/zinc/14/39/40/411143940.db2.gz MRGKYVQATUCXIC-UHFFFAOYSA-N 1 3 201.314 0.039 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000651939392 411155364 /nfs/dbraw/zinc/15/53/64/411155364.db2.gz DRVICHOOIYLWGY-YFKTTZPYSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000651939392 411155367 /nfs/dbraw/zinc/15/53/67/411155367.db2.gz DRVICHOOIYLWGY-YFKTTZPYSA-N 1 3 237.347 0.467 20 0 BCADHO CN1CCC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000069733718 411158171 /nfs/dbraw/zinc/15/81/71/411158171.db2.gz CJDCWEPOYNRMMX-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978304 411159808 /nfs/dbraw/zinc/15/98/08/411159808.db2.gz PRECWGIKYQKSBE-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO [NH3+]CCOCCN1CCC[C@@H](OC2CCC2)C1 ZINC000655947285 411161348 /nfs/dbraw/zinc/16/13/48/411161348.db2.gz QRBWWDHPHYHLIN-CYBMUJFWSA-N 1 3 242.363 0.995 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)N ZINC000309375575 411114028 /nfs/dbraw/zinc/11/40/28/411114028.db2.gz CNSSPEFCZZOCRQ-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CCC(C)(C)N1CCN(C(=O)NCC[NH3+])CC1 ZINC000655960859 411162284 /nfs/dbraw/zinc/16/22/84/411162284.db2.gz APUASNGZFSZUSY-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CCn1cnnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401051849 411174111 /nfs/dbraw/zinc/17/41/11/411174111.db2.gz YRUFAFSMLURZDM-SDDRHHMPSA-N 1 3 249.362 0.776 20 0 BCADHO CCn1cnnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401051846 411174496 /nfs/dbraw/zinc/17/44/96/411174496.db2.gz YRUFAFSMLURZDM-QJPTWQEYSA-N 1 3 249.362 0.776 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1C ZINC000132954353 411177743 /nfs/dbraw/zinc/17/77/43/411177743.db2.gz NNQNOGPJOOQIFP-GMTAPVOTSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1C ZINC000132954353 411177746 /nfs/dbraw/zinc/17/77/46/411177746.db2.gz NNQNOGPJOOQIFP-GMTAPVOTSA-N 1 3 241.379 0.959 20 0 BCADHO NC[C@@H](NC(=O)CCCC[NH3+])C(F)(F)F ZINC000655516764 411186688 /nfs/dbraw/zinc/18/66/88/411186688.db2.gz YITFHVASJDKAGR-ZCFIWIBFSA-N 1 3 227.230 0.121 20 0 BCADHO OC[C@@H]1CCC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000300725455 411188583 /nfs/dbraw/zinc/18/85/83/411188583.db2.gz HJKOATJCVRQAQD-AVGNSLFASA-N 1 3 242.363 0.194 20 0 BCADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CN(C)CCO1 ZINC000656198170 411203170 /nfs/dbraw/zinc/20/31/70/411203170.db2.gz IXDZWDLTPPHPOE-UMSGYPCISA-N 1 3 241.379 0.565 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCOC[C@H]2CCOC2)C1 ZINC000656197687 411203179 /nfs/dbraw/zinc/20/31/79/411203179.db2.gz XQUMIGXSMKACMC-XQQFMLRXSA-N 1 3 242.363 0.899 20 0 BCADHO COCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CC1 ZINC000656199713 411203765 /nfs/dbraw/zinc/20/37/65/411203765.db2.gz BIYHVEQQMHKSGQ-IJLUTSLNSA-N 1 3 242.363 0.755 20 0 BCADHO NC[C@H](NC(=O)CC1(C[NH3+])CC1)C(F)(F)F ZINC000655519731 411222027 /nfs/dbraw/zinc/22/20/27/411222027.db2.gz WRBGYTNNKKMFSV-LURJTMIESA-N 1 3 239.241 0.121 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000130392088 411247043 /nfs/dbraw/zinc/24/70/43/411247043.db2.gz ILQMUVYMCQHWCY-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000130392088 411247046 /nfs/dbraw/zinc/24/70/46/411247046.db2.gz ILQMUVYMCQHWCY-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)NCC1=CCN(C)CC1 ZINC000659636430 411271025 /nfs/dbraw/zinc/27/10/25/411271025.db2.gz LMVJIOCYHIXEHL-SNVBAGLBSA-N 1 3 240.351 0.155 20 0 BCADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN)C2)cc1 ZINC000145153531 487620420 /nfs/dbraw/zinc/62/04/20/487620420.db2.gz CNQYBPIDIMJYFY-CYBMUJFWSA-N 1 3 247.342 0.644 20 0 BCADHO CCC[C@@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467846 411279765 /nfs/dbraw/zinc/27/97/65/411279765.db2.gz GGSIBJINVPOCKX-RKDXNWHRSA-N 1 3 209.297 0.612 20 0 BCADHO CC[C@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467353 411279781 /nfs/dbraw/zinc/27/97/81/411279781.db2.gz OQOWWJQLJKSPBM-BDAKNGLRSA-N 1 3 209.297 0.612 20 0 BCADHO COCCCN(CCOC)C[C@H]1CC[NH2+]C1 ZINC000051889751 411285467 /nfs/dbraw/zinc/28/54/67/411285467.db2.gz FMSKDOGKSDVPFF-LBPRGKRZSA-N 1 3 230.352 0.581 20 0 BCADHO C[C@@H]1CNC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000401691751 411286264 /nfs/dbraw/zinc/28/62/64/411286264.db2.gz HEDYZDHJWIIXIJ-QWRGUYRKSA-N 1 3 208.309 0.471 20 0 BCADHO CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000656540447 411294102 /nfs/dbraw/zinc/29/41/02/411294102.db2.gz JCXOTRQLBMEURL-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000656540447 411294103 /nfs/dbraw/zinc/29/41/03/411294103.db2.gz JCXOTRQLBMEURL-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO CC(C)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000659302326 411294273 /nfs/dbraw/zinc/29/42/73/411294273.db2.gz ICSISVMCUKCSLY-QJPTWQEYSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000659645641 411299328 /nfs/dbraw/zinc/29/93/28/411299328.db2.gz KLZSCQQPTWLYMF-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN)C2)cc1 ZINC000145153531 487620423 /nfs/dbraw/zinc/62/04/23/487620423.db2.gz CNQYBPIDIMJYFY-CYBMUJFWSA-N 1 3 247.342 0.644 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000659325540 411352325 /nfs/dbraw/zinc/35/23/25/411352325.db2.gz UUUWFAHKVKYFJB-NWDGAFQWSA-N 1 3 241.379 0.783 20 0 BCADHO CCC[NH+]1CCC(N[C@H]2C[C@H](O)C2)CC1 ZINC000658351813 411353615 /nfs/dbraw/zinc/35/36/15/411353615.db2.gz PQXGDFPAWJECOV-HAQNSBGRSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000130567395 411358355 /nfs/dbraw/zinc/35/83/55/411358355.db2.gz ISLJZUGIEBXEOJ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO c1cn(C[C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787587 411365944 /nfs/dbraw/zinc/36/59/44/411365944.db2.gz NXTLPRKJSIMVDP-STQMWFEESA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@H]2CC[N@H+](C[C@H]3CCCNC3)C2)nn1 ZINC000656787587 411365945 /nfs/dbraw/zinc/36/59/45/411365945.db2.gz NXTLPRKJSIMVDP-STQMWFEESA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)nn1 ZINC000656787587 411365947 /nfs/dbraw/zinc/36/59/47/411365947.db2.gz NXTLPRKJSIMVDP-STQMWFEESA-N 1 3 249.362 0.600 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973577 411334866 /nfs/dbraw/zinc/33/48/66/411334866.db2.gz FXYSAFKQYAXBSG-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO CC[N@H+](C)C[C@H](O)CNC[C@]1(C)CC1(F)F ZINC000656710569 411336325 /nfs/dbraw/zinc/33/63/25/411336325.db2.gz KAFOOKPBFRNRKS-ZJUUUORDSA-N 1 3 236.306 0.934 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CNC[C@]1(C)CC1(F)F ZINC000656710569 411336327 /nfs/dbraw/zinc/33/63/27/411336327.db2.gz KAFOOKPBFRNRKS-ZJUUUORDSA-N 1 3 236.306 0.934 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000069839784 411372115 /nfs/dbraw/zinc/37/21/15/411372115.db2.gz AILKYRUDLVTWTG-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)CCN1 ZINC000638196524 411456985 /nfs/dbraw/zinc/45/69/85/411456985.db2.gz AJEODJCPWJXURA-NWDGAFQWSA-N 1 3 237.347 0.490 20 0 BCADHO O=C([C@H]1CCC[NH2+]CC1)N1CCCNCC1 ZINC000653043977 411401742 /nfs/dbraw/zinc/40/17/42/411401742.db2.gz MCSWSBZTQNZEIU-NSHDSACASA-N 1 3 225.336 0.198 20 0 BCADHO C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659371594 411405576 /nfs/dbraw/zinc/40/55/76/411405576.db2.gz XFSFKEYVSHSFPC-SKDRFNHKSA-N 1 3 249.314 0.633 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659379028 411406522 /nfs/dbraw/zinc/40/65/22/411406522.db2.gz XIGFQFIVFNMPCJ-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388925 411409819 /nfs/dbraw/zinc/40/98/19/411409819.db2.gz NUKKQWIAWPOCRQ-ZDCRXTMVSA-N 1 3 243.326 0.272 20 0 BCADHO N[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)CC[C@H]1F ZINC000659387416 411410186 /nfs/dbraw/zinc/41/01/86/411410186.db2.gz UQJXFUWBXIFPQY-RKDXNWHRSA-N 1 3 229.299 0.013 20 0 BCADHO N[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC[C@H]1F ZINC000659388519 411410545 /nfs/dbraw/zinc/41/05/45/411410545.db2.gz JPTKPTJMBSHMNI-GWOFURMSSA-N 1 3 243.326 0.402 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659493040 411420770 /nfs/dbraw/zinc/42/07/70/411420770.db2.gz OCTIAWMPTGKYBS-IVZWLZJFSA-N 1 3 246.330 0.017 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH3+])CCCC1 ZINC000659493023 411421072 /nfs/dbraw/zinc/42/10/72/411421072.db2.gz NGYDNVPBFRSLLA-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659525419 411428288 /nfs/dbraw/zinc/42/82/88/411428288.db2.gz GEAQCFRXBCFXTK-WDEREUQCSA-N 1 3 242.367 0.365 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@H](C)CC[NH3+])C1 ZINC000659529898 411429990 /nfs/dbraw/zinc/42/99/90/411429990.db2.gz MRCLHBCWNMKUJX-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@H](C)CC[NH3+])C1 ZINC000659529897 411430242 /nfs/dbraw/zinc/43/02/42/411430242.db2.gz MRCLHBCWNMKUJX-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO CCOCCCN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405554594 411434446 /nfs/dbraw/zinc/43/44/46/411434446.db2.gz ALPLTTVSBOLISW-VXGBXAGGSA-N 1 3 230.352 0.709 20 0 BCADHO CCN1CCCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659636426 411442299 /nfs/dbraw/zinc/44/22/99/411442299.db2.gz LJGASDDBXQNYOR-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CCCN(C(=O)[C@H](C)NCC)[C@@H]1CC[NH2+]C1 ZINC000637834028 411444587 /nfs/dbraw/zinc/44/45/87/411444587.db2.gz UIEIGMTUBRFMJY-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407322069 411480302 /nfs/dbraw/zinc/48/03/02/411480302.db2.gz JVUKWSIVBOPGJK-QWRGUYRKSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000657370327 411483889 /nfs/dbraw/zinc/48/38/89/411483889.db2.gz BRMATRIORDZGKZ-VXGBXAGGSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@@H]1C[C@@H](NC[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438026 411509821 /nfs/dbraw/zinc/50/98/21/411509821.db2.gz YPWIEMVJIAPBIR-IJLUTSLNSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@@H]1C[C@@H](NC[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438026 411509823 /nfs/dbraw/zinc/50/98/23/411509823.db2.gz YPWIEMVJIAPBIR-IJLUTSLNSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@@H]1C[C@H](NC[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438030 411509888 /nfs/dbraw/zinc/50/98/88/411509888.db2.gz YPWIEMVJIAPBIR-TUAOUCFPSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@@H]1C[C@H](NC[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438030 411509890 /nfs/dbraw/zinc/50/98/90/411509890.db2.gz YPWIEMVJIAPBIR-TUAOUCFPSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H]1C[C@H]([NH2+]CCOCCN(C)C)CO1 ZINC000657437855 411510363 /nfs/dbraw/zinc/51/03/63/411510363.db2.gz LZTGIXDDXQGFPP-RYUDHWBXSA-N 1 3 230.352 0.722 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC[C@H]([NH3+])CC)C1 ZINC000659547108 411517436 /nfs/dbraw/zinc/51/74/36/411517436.db2.gz AUTZHMRIFXFOFZ-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H]1C[C@H](N(C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984666 411519816 /nfs/dbraw/zinc/51/98/16/411519816.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 1 3 237.351 0.762 20 0 BCADHO C[C@H]1C[C@H](N(C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984666 411519818 /nfs/dbraw/zinc/51/98/18/411519818.db2.gz QRSYZCGGVHCSIK-CMPLNLGQSA-N 1 3 237.351 0.762 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNCc2ncc[nH]2)C1 ZINC000655826052 411528386 /nfs/dbraw/zinc/52/83/86/411528386.db2.gz FBWUMJYVHRYKAD-AOOOYVTPSA-N 1 3 208.309 0.840 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335150623 170012348 /nfs/dbraw/zinc/01/23/48/170012348.db2.gz PBPOEQJBYLGKPQ-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335150623 170012349 /nfs/dbraw/zinc/01/23/49/170012349.db2.gz PBPOEQJBYLGKPQ-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)C1 ZINC000040464013 170014962 /nfs/dbraw/zinc/01/49/62/170014962.db2.gz GMMJRYOEPXPMCZ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC(C)C)C1 ZINC000040464013 170014963 /nfs/dbraw/zinc/01/49/63/170014963.db2.gz GMMJRYOEPXPMCZ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310390158 170015429 /nfs/dbraw/zinc/01/54/29/170015429.db2.gz RKFWHDXNGZKLHX-RKDXNWHRSA-N 1 3 249.305 0.427 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310390158 170015430 /nfs/dbraw/zinc/01/54/30/170015430.db2.gz RKFWHDXNGZKLHX-RKDXNWHRSA-N 1 3 249.305 0.427 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC000107895344 170015491 /nfs/dbraw/zinc/01/54/91/170015491.db2.gz BFPXIUNGBSCZAX-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC000107895344 170015492 /nfs/dbraw/zinc/01/54/92/170015492.db2.gz BFPXIUNGBSCZAX-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC)[C@@H](C)C1 ZINC000246244327 170017016 /nfs/dbraw/zinc/01/70/16/170017016.db2.gz JECQIJLBTFMYMS-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC)[C@@H](C)C1 ZINC000246244327 170017017 /nfs/dbraw/zinc/01/70/17/170017017.db2.gz JECQIJLBTFMYMS-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608865 170018808 /nfs/dbraw/zinc/01/88/08/170018808.db2.gz UFJRPAWHTQKHSN-AVGNSLFASA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608865 170018809 /nfs/dbraw/zinc/01/88/09/170018809.db2.gz UFJRPAWHTQKHSN-AVGNSLFASA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999509 170019856 /nfs/dbraw/zinc/01/98/56/170019856.db2.gz UFJRPAWHTQKHSN-UPJWGTAASA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999509 170019857 /nfs/dbraw/zinc/01/98/57/170019857.db2.gz UFJRPAWHTQKHSN-UPJWGTAASA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H](COC)OC)[C@@H](C)C1 ZINC000358428913 170021069 /nfs/dbraw/zinc/02/10/69/170021069.db2.gz DWKKBHSVJCZMOF-XQQFMLRXSA-N 1 3 244.379 0.968 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H](COC)OC)[C@@H](C)C1 ZINC000358428913 170021070 /nfs/dbraw/zinc/02/10/70/170021070.db2.gz DWKKBHSVJCZMOF-XQQFMLRXSA-N 1 3 244.379 0.968 20 0 BCADHO CCNC(=O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366563052 170051414 /nfs/dbraw/zinc/05/14/14/170051414.db2.gz UBFHMJFMBDEKIJ-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CCNC(=O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366563052 170051415 /nfs/dbraw/zinc/05/14/15/170051415.db2.gz UBFHMJFMBDEKIJ-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CCNC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000377267896 170051584 /nfs/dbraw/zinc/05/15/84/170051584.db2.gz QYOUSKRVDMSDRP-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCNC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000377267896 170051585 /nfs/dbraw/zinc/05/15/85/170051585.db2.gz QYOUSKRVDMSDRP-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000078802644 170072705 /nfs/dbraw/zinc/07/27/05/170072705.db2.gz DPFBBPOTZBEYGD-UHFFFAOYSA-N 1 3 230.356 0.141 20 0 BCADHO CCNC(=O)[C@H](C)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000250242605 170095873 /nfs/dbraw/zinc/09/58/73/170095873.db2.gz HNTZFDZMTXUWRW-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000236947889 170114415 /nfs/dbraw/zinc/11/44/15/170114415.db2.gz XLEVIHIPQZEZJL-DTWKUNHWSA-N 1 3 201.314 0.086 20 0 BCADHO CC[C@@H](CCO)NC[C@H](O)C[NH+]1CCCC1 ZINC000217810765 411551849 /nfs/dbraw/zinc/55/18/49/411551849.db2.gz AIEJCEPNOCGRGW-RYUDHWBXSA-N 1 3 230.352 0.194 20 0 BCADHO CCOC(=O)CC[N@H+](C)C1CCNCC1 ZINC000042430802 170203887 /nfs/dbraw/zinc/20/38/87/170203887.db2.gz KUOWOLLTRDRUJI-UHFFFAOYSA-N 1 3 214.309 0.623 20 0 BCADHO CCOC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000042430802 170203888 /nfs/dbraw/zinc/20/38/88/170203888.db2.gz KUOWOLLTRDRUJI-UHFFFAOYSA-N 1 3 214.309 0.623 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000368311493 170207218 /nfs/dbraw/zinc/20/72/18/170207218.db2.gz AKMJWKWRIWQVSQ-ZDUSSCGKSA-N 1 3 240.347 0.967 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000368311493 170207219 /nfs/dbraw/zinc/20/72/19/170207219.db2.gz AKMJWKWRIWQVSQ-ZDUSSCGKSA-N 1 3 240.347 0.967 20 0 BCADHO CN1CC[C@]2(C1)CCC[N@H+](CCOCCO)C2 ZINC000660659802 411614599 /nfs/dbraw/zinc/61/45/99/411614599.db2.gz RJYLVPVXYAXXMF-ZDUSSCGKSA-N 1 3 242.363 0.413 20 0 BCADHO CN1CC[C@]2(C1)CCC[N@@H+](CCOCCO)C2 ZINC000660659802 411614600 /nfs/dbraw/zinc/61/46/00/411614600.db2.gz RJYLVPVXYAXXMF-ZDUSSCGKSA-N 1 3 242.363 0.413 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@H](C)CCO ZINC000660920167 411673498 /nfs/dbraw/zinc/67/34/98/411673498.db2.gz ONXHDHFTJMUOML-NEPJUHHUSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000660920167 411673502 /nfs/dbraw/zinc/67/35/02/411673502.db2.gz ONXHDHFTJMUOML-NEPJUHHUSA-N 1 3 232.368 0.390 20 0 BCADHO C([NH2+]CC12CC(C1)CN2)C1CCOCC1 ZINC000663502869 411688268 /nfs/dbraw/zinc/68/82/68/411688268.db2.gz YQPVYPJZRFRVPP-UHFFFAOYSA-N 1 3 210.321 0.755 20 0 BCADHO C(NCC12CC(C1)C[NH2+]2)C1CCOCC1 ZINC000663502869 411688273 /nfs/dbraw/zinc/68/82/73/411688273.db2.gz YQPVYPJZRFRVPP-UHFFFAOYSA-N 1 3 210.321 0.755 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[NH+](C)C ZINC000011959303 170794391 /nfs/dbraw/zinc/79/43/91/170794391.db2.gz UFPGKKCEKGXULP-ZJUUUORDSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H](O)CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662150107 412009316 /nfs/dbraw/zinc/00/93/16/412009316.db2.gz UDESQOJSHRDGSA-WCQYABFASA-N 1 3 242.363 0.288 20 0 BCADHO CC[C@@H](O)C[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662149080 412009533 /nfs/dbraw/zinc/00/95/33/412009533.db2.gz MWFAFLADLSKGPK-CHWSQXEVSA-N 1 3 242.363 0.288 20 0 BCADHO COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@@H](C)N)OC ZINC000662235792 412034257 /nfs/dbraw/zinc/03/42/57/412034257.db2.gz SVVGTPZYEFBBGG-GRYCIOLGSA-N 1 3 230.352 0.850 20 0 BCADHO COC[C@H](C[N@H+]1CCCC[C@@H]1[C@@H](C)N)OC ZINC000662235792 412034263 /nfs/dbraw/zinc/03/42/63/412034263.db2.gz SVVGTPZYEFBBGG-GRYCIOLGSA-N 1 3 230.352 0.850 20 0 BCADHO [NH3+]C[C@@H]1CCCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662243697 412039781 /nfs/dbraw/zinc/03/97/81/412039781.db2.gz OXZNUPZQHXXMOK-NWDGAFQWSA-N 1 3 239.363 0.321 20 0 BCADHO CC1(C)C[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662243970 412039815 /nfs/dbraw/zinc/03/98/15/412039815.db2.gz FFMSABLISIRRPI-LLVKDONJSA-N 1 3 239.363 0.191 20 0 BCADHO COC[C@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255082 412048420 /nfs/dbraw/zinc/04/84/20/412048420.db2.gz OFXHTDIAXWOQQN-RYUDHWBXSA-N 1 3 240.347 0.476 20 0 BCADHO COC[C@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255082 412048422 /nfs/dbraw/zinc/04/84/22/412048422.db2.gz OFXHTDIAXWOQQN-RYUDHWBXSA-N 1 3 240.347 0.476 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662273201 412064785 /nfs/dbraw/zinc/06/47/85/412064785.db2.gz MVYSXCMIHGZKLS-RYUDHWBXSA-N 1 3 227.352 0.178 20 0 BCADHO COC[C@H](C[N@H+](C)C1(CN)CCC1)OC ZINC000662273289 412066181 /nfs/dbraw/zinc/06/61/81/412066181.db2.gz LIQJGDGFIQKVDT-JTQLQIEISA-N 1 3 216.325 0.461 20 0 BCADHO COC[C@H](C[N@@H+](C)C1(CN)CCC1)OC ZINC000662273289 412066184 /nfs/dbraw/zinc/06/61/84/412066184.db2.gz LIQJGDGFIQKVDT-JTQLQIEISA-N 1 3 216.325 0.461 20 0 BCADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000665044603 412066681 /nfs/dbraw/zinc/06/66/81/412066681.db2.gz WGHJQJXQRLBGMM-MNOVXSKESA-N 1 3 244.383 0.576 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)[C@@H](C)C[NH2+]1 ZINC000662274843 412066963 /nfs/dbraw/zinc/06/69/63/412066963.db2.gz NBMJHAPHQBYAFG-GRYCIOLGSA-N 1 3 239.363 0.190 20 0 BCADHO [NH3+][C@@H]1Cc2ccccc2N(C[C@H]2CNCCO2)C1 ZINC000662280531 412070761 /nfs/dbraw/zinc/07/07/61/412070761.db2.gz DUYLACCPTZNSAJ-CHWSQXEVSA-N 1 3 247.342 0.365 20 0 BCADHO C[C@@H]1C[C@H](C)N(C[C@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662282403 412071953 /nfs/dbraw/zinc/07/19/53/412071953.db2.gz HEZBNYMWEDDTTK-YVECIDJPSA-N 1 3 241.379 0.280 20 0 BCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH3+])N(CC)CC ZINC000359429342 171223191 /nfs/dbraw/zinc/22/31/91/171223191.db2.gz RFLSGBYQNVTPTO-GHMZBOCLSA-N 1 3 229.368 0.912 20 0 BCADHO C[NH2+]CCCN(C)C[C@@H]1CCC2(CNC2)O1 ZINC000662281556 412072684 /nfs/dbraw/zinc/07/26/84/412072684.db2.gz NUBIUKCSJPOZIK-NSHDSACASA-N 1 3 227.352 0.049 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000377789987 171225453 /nfs/dbraw/zinc/22/54/53/171225453.db2.gz VSQOTWYWAMQFDK-QJPTWQEYSA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000377789985 171225504 /nfs/dbraw/zinc/22/55/04/171225504.db2.gz VSQOTWYWAMQFDK-GRYCIOLGSA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@H](C(=O)NCC[N@H+](CC)C1CC1)N(C)C ZINC000125114939 171228035 /nfs/dbraw/zinc/22/80/35/171228035.db2.gz SEGCDRZHUDOBJK-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@H](C(=O)NCC[N@@H+](CC)C1CC1)N(C)C ZINC000125114939 171228037 /nfs/dbraw/zinc/22/80/37/171228037.db2.gz SEGCDRZHUDOBJK-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000226396354 171305687 /nfs/dbraw/zinc/30/56/87/171305687.db2.gz IMZACFKZTYHTHS-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000226396354 171305690 /nfs/dbraw/zinc/30/56/90/171305690.db2.gz IMZACFKZTYHTHS-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO OCC1(NCCCCCF)CC[NH2+]CC1 ZINC000662287025 412079670 /nfs/dbraw/zinc/07/96/70/412079670.db2.gz QCDOIHXGOIIQSM-UHFFFAOYSA-N 1 3 218.316 0.830 20 0 BCADHO C[C@@H](C(N)=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291919 412080873 /nfs/dbraw/zinc/08/08/73/412080873.db2.gz ARPBGKGEYICAMS-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000134105777 171369546 /nfs/dbraw/zinc/36/95/46/171369546.db2.gz XBTQQLFEDXMCAZ-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812622 171369748 /nfs/dbraw/zinc/36/97/48/171369748.db2.gz MIRHUBURNMQKPO-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812622 171369751 /nfs/dbraw/zinc/36/97/51/171369751.db2.gz MIRHUBURNMQKPO-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC[NH2+]C ZINC000069803175 171393327 /nfs/dbraw/zinc/39/33/27/171393327.db2.gz GGULXHLERNTQFO-IUCAKERBSA-N 1 3 201.314 0.038 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365227474 171394541 /nfs/dbraw/zinc/39/45/41/171394541.db2.gz RTSHAIMCLOICPU-YFKTTZPYSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000237030612 171395875 /nfs/dbraw/zinc/39/58/75/171395875.db2.gz KFWNEKDHTQIJCW-UWVGGRQHSA-N 1 3 229.368 0.864 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124305959 171396399 /nfs/dbraw/zinc/39/63/99/171396399.db2.gz WLTYLKIQFYCTJX-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000662388262 412139944 /nfs/dbraw/zinc/13/99/44/412139944.db2.gz OZZKXKNZHFMMEK-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO COCC1(N(C)C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299753 412086705 /nfs/dbraw/zinc/08/67/05/412086705.db2.gz WSYHPZDKBGCDDE-NSHDSACASA-N 1 3 240.347 0.618 20 0 BCADHO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCCN ZINC000662301230 412087692 /nfs/dbraw/zinc/08/76/92/412087692.db2.gz PMDRXCVYXFLKDJ-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCN ZINC000662301230 412087697 /nfs/dbraw/zinc/08/76/97/412087697.db2.gz PMDRXCVYXFLKDJ-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H](CO)[C@H]1CCCCN1CCC[NH3+] ZINC000662301230 412087700 /nfs/dbraw/zinc/08/77/00/412087700.db2.gz PMDRXCVYXFLKDJ-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316216 412092829 /nfs/dbraw/zinc/09/28/29/412092829.db2.gz XJJMBGCGENTCDZ-CHWSQXEVSA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316216 412092833 /nfs/dbraw/zinc/09/28/33/412092833.db2.gz XJJMBGCGENTCDZ-CHWSQXEVSA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(C1)CCCOC2 ZINC000662316216 412092837 /nfs/dbraw/zinc/09/28/37/412092837.db2.gz XJJMBGCGENTCDZ-CHWSQXEVSA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314411 412096938 /nfs/dbraw/zinc/09/69/38/412096938.db2.gz PABORIIHQOULCV-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314411 412096944 /nfs/dbraw/zinc/09/69/44/412096944.db2.gz PABORIIHQOULCV-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO CC12CC(C1)C[N@@H+]2C[C@@H]1CCC2(CNC2)O1 ZINC000662338252 412108100 /nfs/dbraw/zinc/10/81/00/412108100.db2.gz PLONFXWDQQVCCJ-CXQJBGSLSA-N 1 3 222.332 0.992 20 0 BCADHO CC12CC(C1)C[N@H+]2C[C@@H]1CCC2(CNC2)O1 ZINC000662338252 412108101 /nfs/dbraw/zinc/10/81/01/412108101.db2.gz PLONFXWDQQVCCJ-CXQJBGSLSA-N 1 3 222.332 0.992 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H]1CCCO1 ZINC000665236388 412176867 /nfs/dbraw/zinc/17/68/67/412176867.db2.gz LTIUUIYYBSGKCL-NNYUYHANSA-N 1 3 228.336 0.507 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000662450911 412180231 /nfs/dbraw/zinc/18/02/31/412180231.db2.gz FLZWTPUXXBEIAS-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000662472189 412188435 /nfs/dbraw/zinc/18/84/35/412188435.db2.gz PNYAEUDQBFCNNH-SRVKXCTJSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000662474103 412188676 /nfs/dbraw/zinc/18/86/76/412188676.db2.gz UCAQWJLEAIWFEK-WOPDTQHZSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1cc2c(s1)CCNC2 ZINC000662553912 412214804 /nfs/dbraw/zinc/21/48/04/412214804.db2.gz NUQQHQQXXTVZCT-SSDOTTSWSA-N 1 3 239.344 0.471 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665244609 412189691 /nfs/dbraw/zinc/18/96/91/412189691.db2.gz RWNLYSSEJXSWQK-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000665244609 412189693 /nfs/dbraw/zinc/18/96/93/412189693.db2.gz RWNLYSSEJXSWQK-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000662497429 412194987 /nfs/dbraw/zinc/19/49/87/412194987.db2.gz IESDRMMPOMUNOJ-QXEWZRGKSA-N 1 3 225.336 0.193 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000662496823 412195045 /nfs/dbraw/zinc/19/50/45/412195045.db2.gz BWZXMRHNENHEEB-CMPLNLGQSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000662498163 412196401 /nfs/dbraw/zinc/19/64/01/412196401.db2.gz PBBITJRCSBZPCK-ADEWGFFLSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000662514198 412201746 /nfs/dbraw/zinc/20/17/46/412201746.db2.gz LIRBXOGIUVDUHD-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](CNC(=O)c1cccc2c1CNC2)[NH+](C)C ZINC000662526271 412205065 /nfs/dbraw/zinc/20/50/65/412205065.db2.gz BGYMJVZBGPAQRO-JTQLQIEISA-N 1 3 247.342 0.970 20 0 BCADHO C[C@H](CNC(=O)c1cccc2c1CNC2)[NH+](C)C ZINC000662526273 412205561 /nfs/dbraw/zinc/20/55/61/412205561.db2.gz BGYMJVZBGPAQRO-SNVBAGLBSA-N 1 3 247.342 0.970 20 0 BCADHO CC(C)NCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662549412 412212244 /nfs/dbraw/zinc/21/22/44/412212244.db2.gz OTMAQORKJJXANG-FOSCPWQOSA-N 1 3 239.363 0.726 20 0 BCADHO NC1(C(=O)N2CC[C@@H]([NH3+])C2)CC2(CCC2)C1 ZINC000662394226 412145025 /nfs/dbraw/zinc/14/50/25/412145025.db2.gz PWMCSYKMGBWBTO-SECBINFHSA-N 1 3 223.320 0.208 20 0 BCADHO C[C@H]1CNCCN1C(=O)c1cccc2c1CNC2 ZINC000662404189 412150166 /nfs/dbraw/zinc/15/01/66/412150166.db2.gz PYQZIKXFKAHRJV-JTQLQIEISA-N 1 3 245.326 0.724 20 0 BCADHO C[C@H]1CNCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662404189 412150170 /nfs/dbraw/zinc/15/01/70/412150170.db2.gz PYQZIKXFKAHRJV-JTQLQIEISA-N 1 3 245.326 0.724 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000662405610 412151986 /nfs/dbraw/zinc/15/19/86/412151986.db2.gz ZPMAILWHBRLGGS-UTLUCORTSA-N 1 3 213.325 0.099 20 0 BCADHO CC[NH2+]CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662408910 412154911 /nfs/dbraw/zinc/15/49/11/412154911.db2.gz CWLSPBFHYLBTAJ-UHFFFAOYSA-N 1 3 225.336 0.374 20 0 BCADHO CC[NH2+]CCNC(=O)c1cccc2c1CCNC2 ZINC000662410887 412155789 /nfs/dbraw/zinc/15/57/89/412155789.db2.gz DNZNSGHLMZZRNS-UHFFFAOYSA-N 1 3 247.342 0.672 20 0 BCADHO CC(C)(C[NH3+])NC(=O)c1cccc2c1CCNC2 ZINC000662411793 412156056 /nfs/dbraw/zinc/15/60/56/412156056.db2.gz YQBTVKHOBQQRPN-UHFFFAOYSA-N 1 3 247.342 0.799 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)c1cccc2c1CCNC2 ZINC000662418118 412159708 /nfs/dbraw/zinc/15/97/08/412159708.db2.gz PINALFBVRGEVQP-SNVBAGLBSA-N 1 3 247.342 0.752 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCCCN1 ZINC000665272368 412214195 /nfs/dbraw/zinc/21/41/95/412214195.db2.gz DGFALWCJGAOWQR-OUAUKWLOSA-N 1 3 225.336 0.385 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662666097 412265017 /nfs/dbraw/zinc/26/50/17/412265017.db2.gz QMJONOMEJYDCNN-MGCOHNPYSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662693947 412267437 /nfs/dbraw/zinc/26/74/37/412267437.db2.gz NGAHYDMMQJUNKN-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)C1CCN(CC)CC1 ZINC000662673576 412267542 /nfs/dbraw/zinc/26/75/42/412267542.db2.gz OAXFFAHTGSEJMC-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683656 412269163 /nfs/dbraw/zinc/26/91/63/412269163.db2.gz VJLPTEAYRIHXNG-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@H](C(=O)N1CC2CC1(C[NH3+])C2)C1CCC1 ZINC000662683941 412270595 /nfs/dbraw/zinc/27/05/95/412270595.db2.gz XNEGQJIQKSQRFN-BSTRBVHOSA-N 1 3 223.320 0.064 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000662702631 412275389 /nfs/dbraw/zinc/27/53/89/412275389.db2.gz AQJFQWVIHLSBHU-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000662703511 412276804 /nfs/dbraw/zinc/27/68/04/412276804.db2.gz LBJZXNIAHCRHFX-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000662707801 412278142 /nfs/dbraw/zinc/27/81/42/412278142.db2.gz IACLIRCRGPZJJG-IJLUTSLNSA-N 1 3 237.347 0.420 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662711297 412280140 /nfs/dbraw/zinc/28/01/40/412280140.db2.gz BBGYGLQYXNUGMQ-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662726024 412284319 /nfs/dbraw/zinc/28/43/19/412284319.db2.gz YJZQQXFYLVHETQ-MNOVXSKESA-N 1 3 229.368 0.849 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000662560570 412219179 /nfs/dbraw/zinc/21/91/79/412219179.db2.gz JINCFAVBVSUAQD-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662565932 412221509 /nfs/dbraw/zinc/22/15/09/412221509.db2.gz ASXGSMHGCKCVSS-RKDXNWHRSA-N 1 3 233.315 0.755 20 0 BCADHO CC(C)NCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000662567345 412222691 /nfs/dbraw/zinc/22/26/91/412222691.db2.gz UWSQIKPMUSLAGP-SSDOTTSWSA-N 1 3 223.267 0.083 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)CCN1CCCCC1 ZINC000662583131 412228501 /nfs/dbraw/zinc/22/85/01/412228501.db2.gz BFPZAFAAZNXIIH-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)CCN1CCCCC1 ZINC000662584012 412228590 /nfs/dbraw/zinc/22/85/90/412228590.db2.gz JXLNZDCCNOBRSW-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)NCC(=O)N1CCC(CC[NH3+])CC1 ZINC000662583145 412229192 /nfs/dbraw/zinc/22/91/92/412229192.db2.gz BQUWLJAOMPURJL-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589735 412232019 /nfs/dbraw/zinc/23/20/19/412232019.db2.gz CZCSHBHGPQIXIV-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589735 412232024 /nfs/dbraw/zinc/23/20/24/412232024.db2.gz CZCSHBHGPQIXIV-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592388 412233722 /nfs/dbraw/zinc/23/37/22/412233722.db2.gz FUGYABKEJUPCGC-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662612351 412241918 /nfs/dbraw/zinc/24/19/18/412241918.db2.gz OOXMNYBBNRVOLF-LLVKDONJSA-N 1 3 215.341 0.700 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662612353 412242353 /nfs/dbraw/zinc/24/23/53/412242353.db2.gz OOXMNYBBNRVOLF-NSHDSACASA-N 1 3 215.341 0.700 20 0 BCADHO CC[C@H](N[C@H](C)C[NH2+]C)[C@H]1CCOC1 ZINC000665295624 412242706 /nfs/dbraw/zinc/24/27/06/412242706.db2.gz GRKPHDPTRUQROY-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO C[NH2+]C[C@@H](C)N[C@H](C)C1CCOCC1 ZINC000665296688 412244817 /nfs/dbraw/zinc/24/48/17/412244817.db2.gz WLRUUMAVGZGATA-NXEZZACHSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CCN(C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000662619706 412244806 /nfs/dbraw/zinc/24/48/06/412244806.db2.gz NTZPUKMUPLZWRQ-OUAUKWLOSA-N 1 3 241.379 0.959 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCOCCF)C1 ZINC000665298933 412247824 /nfs/dbraw/zinc/24/78/24/412247824.db2.gz CHXVCZFRODBHAP-ZJUUUORDSA-N 1 3 204.289 0.832 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)S(C)(=O)=O ZINC000665298833 412247926 /nfs/dbraw/zinc/24/79/26/412247926.db2.gz ALLXJMWPVRBGPO-KXUCPTDWSA-N 1 3 234.365 0.137 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CC3([NH3+])CC3)[C@H]2C1 ZINC000662804640 412306307 /nfs/dbraw/zinc/30/63/07/412306307.db2.gz GEJVKOHQBGSQEI-MNOVXSKESA-N 1 3 237.347 0.420 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CC3([NH3+])CC3)[C@@H]2C1 ZINC000662804644 412306759 /nfs/dbraw/zinc/30/67/59/412306759.db2.gz GEJVKOHQBGSQEI-WDEREUQCSA-N 1 3 237.347 0.420 20 0 BCADHO CC[C@H](NC)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000662815377 412309129 /nfs/dbraw/zinc/30/91/29/412309129.db2.gz DJGMZISLUFFUKI-NEPJUHHUSA-N 1 3 247.342 0.901 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCCN(C(C)C)CC1 ZINC000662820794 412310770 /nfs/dbraw/zinc/31/07/70/412310770.db2.gz CSSRNROUAVZORT-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837779 412316625 /nfs/dbraw/zinc/31/66/25/412316625.db2.gz KZICEJBNLOMQAC-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837779 412316627 /nfs/dbraw/zinc/31/66/27/412316627.db2.gz KZICEJBNLOMQAC-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000662845070 412319516 /nfs/dbraw/zinc/31/95/16/412319516.db2.gz KFFYAWJOHBVXAV-SNVBAGLBSA-N 1 3 229.368 0.768 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CNCCC1(F)F ZINC000662844846 412319605 /nfs/dbraw/zinc/31/96/05/412319605.db2.gz FWZLTLBKFWUXNV-QMMMGPOBSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@H](CCNC(=O)C1(N)CCCC1)[NH+](C)C ZINC000662859130 412326326 /nfs/dbraw/zinc/32/63/26/412326326.db2.gz KELIRGJLUKQURE-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)[NH+](C)C ZINC000662858710 412326973 /nfs/dbraw/zinc/32/69/73/412326973.db2.gz HPYHJYLVTVEZHM-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1(N)CC1 ZINC000662886119 412336198 /nfs/dbraw/zinc/33/61/98/412336198.db2.gz BHAUCKUNXADKPC-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000662910591 412341996 /nfs/dbraw/zinc/34/19/96/412341996.db2.gz PTAQWAAYDFIJQL-NNYUYHANSA-N 1 3 237.347 0.052 20 0 BCADHO O=C(NCC12CC(C1)C[NH2+]2)C1(NC2CC2)CCC1 ZINC000662922433 412346277 /nfs/dbraw/zinc/34/62/77/412346277.db2.gz ADSKAVPDDARPBF-UHFFFAOYSA-N 1 3 249.358 0.529 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCCN1 ZINC000662924865 412347165 /nfs/dbraw/zinc/34/71/65/412347165.db2.gz KAZHMLHMGHCHIS-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000662944906 412351702 /nfs/dbraw/zinc/35/17/02/412351702.db2.gz ANPWGIZWFRQBHN-DBIOUOCHSA-N 1 3 243.326 0.272 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[NH2+]C ZINC000662954331 412353584 /nfs/dbraw/zinc/35/35/84/412353584.db2.gz UPMFZMJLTLRDBH-YIZRAAEISA-N 1 3 201.314 0.084 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000662954768 412353599 /nfs/dbraw/zinc/35/35/99/412353599.db2.gz ZIOKOFRBQPXZLC-CMPLNLGQSA-N 1 3 235.331 0.453 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000662965157 412357401 /nfs/dbraw/zinc/35/74/01/412357401.db2.gz IDOUFDQTKICAMA-NXEZZACHSA-N 1 3 215.341 0.297 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000662965164 412358120 /nfs/dbraw/zinc/35/81/20/412358120.db2.gz IDOUFDQTKICAMA-ZJUUUORDSA-N 1 3 215.341 0.297 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000662967142 412358253 /nfs/dbraw/zinc/35/82/53/412358253.db2.gz FSMQMGZNAVTDIK-NXEZZACHSA-N 1 3 227.352 0.489 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1NCCCC1(C)C ZINC000662967143 412358607 /nfs/dbraw/zinc/35/86/07/412358607.db2.gz FSMQMGZNAVTDIK-UWVGGRQHSA-N 1 3 227.352 0.489 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662970141 412360669 /nfs/dbraw/zinc/36/06/69/412360669.db2.gz VDQKDJBSBHFVGD-VIFPVBQESA-N 1 3 233.315 0.628 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662744640 412289572 /nfs/dbraw/zinc/28/95/72/412289572.db2.gz BFDJADRTJMQATN-DCAQKATOSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748080 412289900 /nfs/dbraw/zinc/28/99/00/412289900.db2.gz KZWFTBVMVVXWRW-IVZWLZJFSA-N 1 3 231.315 0.272 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748107 412290127 /nfs/dbraw/zinc/29/01/27/412290127.db2.gz LRTWUJOCYPVXSR-NXEZZACHSA-N 1 3 231.315 0.226 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754359 412291367 /nfs/dbraw/zinc/29/13/67/412291367.db2.gz LMQOSCTXAVMFGX-MWLCHTKSSA-N 1 3 237.347 0.467 20 0 BCADHO CCC[NH2+]CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662759637 412292975 /nfs/dbraw/zinc/29/29/75/412292975.db2.gz AJKCKBPSQJHYBT-UHFFFAOYSA-N 1 3 239.363 0.764 20 0 BCADHO C[C@H]1CN(C(=O)CC2([NH3+])CC2)[C@@H](C)CN1 ZINC000662764004 412295037 /nfs/dbraw/zinc/29/50/37/412295037.db2.gz HCLNZZJNDHHGJE-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC1([NH3+])CC1 ZINC000662764003 412295128 /nfs/dbraw/zinc/29/51/28/412295128.db2.gz HCLNZZJNDHHGJE-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000662774180 412297960 /nfs/dbraw/zinc/29/79/60/412297960.db2.gz LZYWVLCVUXJIDX-NXEZZACHSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000662774182 412298317 /nfs/dbraw/zinc/29/83/17/412298317.db2.gz LZYWVLCVUXJIDX-UWVGGRQHSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999893 412366034 /nfs/dbraw/zinc/36/60/34/412366034.db2.gz CWHVKDUVLJZTTM-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999893 412366036 /nfs/dbraw/zinc/36/60/36/412366036.db2.gz CWHVKDUVLJZTTM-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000662785954 412301778 /nfs/dbraw/zinc/30/17/78/412301778.db2.gz XJQAHEVSHDFHSD-SNVBAGLBSA-N 1 3 239.363 0.905 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662787685 412302768 /nfs/dbraw/zinc/30/27/68/412302768.db2.gz AYQSIVIZTGHBOL-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCNc2cnccn2)C1 ZINC000572542008 412303025 /nfs/dbraw/zinc/30/30/25/412303025.db2.gz PZMZOFHJBNSQBK-WDEREUQCSA-N 1 3 235.335 0.748 20 0 BCADHO CCn1cc(CC[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cn1 ZINC000375723344 172159927 /nfs/dbraw/zinc/15/99/27/172159927.db2.gz PFVWCUJMFPJWMC-OKILXGFUSA-N 1 3 248.374 0.939 20 0 BCADHO CCn1cc(CC[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cn1 ZINC000375723344 172159928 /nfs/dbraw/zinc/15/99/28/172159928.db2.gz PFVWCUJMFPJWMC-OKILXGFUSA-N 1 3 248.374 0.939 20 0 BCADHO CN(C)C(=O)CCN(C)C1CC[NH2+]CC1 ZINC000037898272 172357737 /nfs/dbraw/zinc/35/77/37/172357737.db2.gz WRDVOETUVWQJBC-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CN(C)C(=O)CC[N@H+](C)C1CCNCC1 ZINC000037898272 172357739 /nfs/dbraw/zinc/35/77/39/172357739.db2.gz WRDVOETUVWQJBC-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CN(C)C(=O)CC[N@@H+](C)C1CCNCC1 ZINC000037898272 172357740 /nfs/dbraw/zinc/35/77/40/172357740.db2.gz WRDVOETUVWQJBC-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CN(C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000050931265 172456129 /nfs/dbraw/zinc/45/61/29/172456129.db2.gz PHIKCEMOIZUSEW-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CN1CCCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336678711 173018278 /nfs/dbraw/zinc/01/82/78/173018278.db2.gz CXTIWPUKDUBHIX-CYBMUJFWSA-N 1 3 241.379 0.079 20 0 BCADHO CN1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336678711 173018281 /nfs/dbraw/zinc/01/82/81/173018281.db2.gz CXTIWPUKDUBHIX-CYBMUJFWSA-N 1 3 241.379 0.079 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H]1CO ZINC000305649945 173028340 /nfs/dbraw/zinc/02/83/40/173028340.db2.gz UADKQUVEIVBWKQ-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1CO ZINC000305649945 173028342 /nfs/dbraw/zinc/02/83/42/173028342.db2.gz UADKQUVEIVBWKQ-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000224046505 173030122 /nfs/dbraw/zinc/03/01/22/173030122.db2.gz QYAMNNVLVGAEPJ-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(C)(C)N ZINC000371262370 173032658 /nfs/dbraw/zinc/03/26/58/173032658.db2.gz LGEQTKZOYYBGFR-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C(C)(C)N ZINC000371262370 173032660 /nfs/dbraw/zinc/03/26/60/173032660.db2.gz LGEQTKZOYYBGFR-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262925 173034952 /nfs/dbraw/zinc/03/49/52/173034952.db2.gz RRHFEBNWZHQZOO-GHMZBOCLSA-N 1 3 237.347 0.563 20 0 BCADHO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262925 173034953 /nfs/dbraw/zinc/03/49/53/173034953.db2.gz RRHFEBNWZHQZOO-GHMZBOCLSA-N 1 3 237.347 0.563 20 0 BCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)N ZINC000237085126 173039586 /nfs/dbraw/zinc/03/95/86/173039586.db2.gz VYTJXGFPPFXUSD-JTQLQIEISA-N 1 3 227.352 0.524 20 0 BCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)N ZINC000237085126 173039590 /nfs/dbraw/zinc/03/95/90/173039590.db2.gz VYTJXGFPPFXUSD-JTQLQIEISA-N 1 3 227.352 0.524 20 0 BCADHO CN1CCC[C@H]1CC[NH+]1CCC(O)CC1 ZINC000305146958 173051031 /nfs/dbraw/zinc/05/10/31/173051031.db2.gz YQWCFMIEJIZHBQ-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CC[NH+]1CCC(C(N)=O)CC1 ZINC000124648396 173051316 /nfs/dbraw/zinc/05/13/16/173051316.db2.gz SVJMIFFHNOCCBJ-LBPRGKRZSA-N 1 3 239.363 0.668 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000226394828 173052610 /nfs/dbraw/zinc/05/26/10/173052610.db2.gz RVQQMYVYWKRONE-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333934974 173054817 /nfs/dbraw/zinc/05/48/17/173054817.db2.gz JAGRBYYSZLMISQ-QWRGUYRKSA-N 1 3 240.351 0.213 20 0 BCADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC(F)F ZINC000309221326 173055139 /nfs/dbraw/zinc/05/51/39/173055139.db2.gz YEAFOXKKCHNACM-JGVFFNPUSA-N 1 3 235.278 0.179 20 0 BCADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC(F)F ZINC000309221326 173055142 /nfs/dbraw/zinc/05/51/42/173055142.db2.gz YEAFOXKKCHNACM-JGVFFNPUSA-N 1 3 235.278 0.179 20 0 BCADHO CN1CC[C@@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC000336732904 173138156 /nfs/dbraw/zinc/13/81/56/173138156.db2.gz ZWWRQZSJJVKSDA-GFCCVEGCSA-N 1 3 235.335 0.306 20 0 BCADHO CN1CC[C@@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC000336732904 173138158 /nfs/dbraw/zinc/13/81/58/173138158.db2.gz ZWWRQZSJJVKSDA-GFCCVEGCSA-N 1 3 235.335 0.306 20 0 BCADHO CN1C[C@H]([NH2+][C@@H]2CCCC[C@H]2CN)CCC1=O ZINC000250640025 173194430 /nfs/dbraw/zinc/19/44/30/173194430.db2.gz SWFMGFZMEUDIFH-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CN1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CCC1=O ZINC000250640025 173194431 /nfs/dbraw/zinc/19/44/31/173194431.db2.gz SWFMGFZMEUDIFH-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CNC(=O)CCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000226437662 173247805 /nfs/dbraw/zinc/24/78/05/173247805.db2.gz BTRKKNHTGLXWGY-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CNC(=O)CCN(C)C[C@H]1CCC[NH2+]C1 ZINC000226437668 173248718 /nfs/dbraw/zinc/24/87/18/173248718.db2.gz BTRKKNHTGLXWGY-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359089654 173280744 /nfs/dbraw/zinc/28/07/44/173280744.db2.gz BSTVUVJDGVUCAE-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359089654 173280745 /nfs/dbraw/zinc/28/07/45/173280745.db2.gz BSTVUVJDGVUCAE-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@H](C)NCCC[NH+](C)C ZINC000308582214 173281917 /nfs/dbraw/zinc/28/19/17/173281917.db2.gz GYMBUZSTRXUEKQ-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000358288763 173282678 /nfs/dbraw/zinc/28/26/78/173282678.db2.gz OHUVEHZWMSBIQW-GRYCIOLGSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000358288763 173282679 /nfs/dbraw/zinc/28/26/79/173282679.db2.gz OHUVEHZWMSBIQW-GRYCIOLGSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124942445 173293704 /nfs/dbraw/zinc/29/37/04/173293704.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)CC[C@@H]1CCC[N@H+]1C ZINC000124942445 173293705 /nfs/dbraw/zinc/29/37/05/173293705.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000124942445 173293706 /nfs/dbraw/zinc/29/37/06/173293706.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124942445 173293707 /nfs/dbraw/zinc/29/37/07/173293707.db2.gz QTDUDCQSQJPJMQ-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)CN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124942623 173301004 /nfs/dbraw/zinc/30/10/04/173301004.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)CN(C)CC[C@@H]1CCC[N@H+]1C ZINC000124942623 173301005 /nfs/dbraw/zinc/30/10/05/173301005.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000124942623 173301006 /nfs/dbraw/zinc/30/10/06/173301006.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124942623 173301007 /nfs/dbraw/zinc/30/10/07/173301007.db2.gz QTDUDCQSQJPJMQ-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CNCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000237179113 173323780 /nfs/dbraw/zinc/32/37/80/173323780.db2.gz FSPNYDAXTNYQCB-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CNCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000237179113 173323782 /nfs/dbraw/zinc/32/37/82/173323782.db2.gz FSPNYDAXTNYQCB-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370771177 173327749 /nfs/dbraw/zinc/32/77/49/173327749.db2.gz GCUYCUIBEUDIMM-TUAOUCFPSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370771177 173327751 /nfs/dbraw/zinc/32/77/51/173327751.db2.gz GCUYCUIBEUDIMM-TUAOUCFPSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237271084 173332682 /nfs/dbraw/zinc/33/26/82/173332682.db2.gz QBPBCUTWMURVGJ-SNVBAGLBSA-N 1 3 213.325 0.230 20 0 BCADHO CNCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000166740985 173334329 /nfs/dbraw/zinc/33/43/29/173334329.db2.gz PFJXUTGMOHGMHT-UHFFFAOYSA-N 1 3 235.331 0.949 20 0 BCADHO C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000237312847 173338371 /nfs/dbraw/zinc/33/83/71/173338371.db2.gz QODXMNDORDKZRD-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCCCC1 ZINC000043606346 173340249 /nfs/dbraw/zinc/34/02/49/173340249.db2.gz DEAQATSHIHNMBV-UHFFFAOYSA-N 1 3 213.325 0.198 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357236257 173341198 /nfs/dbraw/zinc/34/11/98/173341198.db2.gz CLQZAKGSMHKXOP-UWVGGRQHSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000367644080 173342220 /nfs/dbraw/zinc/34/22/20/173342220.db2.gz QWSPVVBJVDLLCU-UHFFFAOYSA-N 1 3 234.303 0.275 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000237194569 173362544 /nfs/dbraw/zinc/36/25/44/173362544.db2.gz RPGXZIJBPIOUMU-VXGBXAGGSA-N 1 3 241.379 0.690 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000261551637 173374090 /nfs/dbraw/zinc/37/40/90/173374090.db2.gz QQEITJAYVCHWQL-LPEHRKFASA-N 1 3 213.325 0.051 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000132958834 173374626 /nfs/dbraw/zinc/37/46/26/173374626.db2.gz ZRSYQZAVMJVZQR-AXFHLTTASA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000132959031 173374688 /nfs/dbraw/zinc/37/46/88/173374688.db2.gz ZRSYQZAVMJVZQR-DCAQKATOSA-N 1 3 227.352 0.441 20 0 BCADHO COCC(C)(C)CNC[C@H](O)C[NH+]1CCCC1 ZINC000336705912 174073188 /nfs/dbraw/zinc/07/31/88/174073188.db2.gz LHNRYAZMMAIVTM-LBPRGKRZSA-N 1 3 244.379 0.705 20 0 BCADHO COCCOCCN1CCCC[C@@H]1CC[NH3+] ZINC000070481637 174353820 /nfs/dbraw/zinc/35/38/20/174353820.db2.gz WSWDKMZLPRYXEL-GFCCVEGCSA-N 1 3 230.352 0.853 20 0 BCADHO C[C@H]1CNC[C@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640261 487628760 /nfs/dbraw/zinc/62/87/60/487628760.db2.gz GXJPQWPYXWILKB-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO COc1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000083381507 175264935 /nfs/dbraw/zinc/26/49/35/175264935.db2.gz PQAJUWGIWOKSLQ-UHFFFAOYSA-N 1 3 249.358 0.690 20 0 BCADHO C[C@@H](C(=O)N[C@@H](C)C[NH3+])[C@H](N)c1ccccc1 ZINC000262518524 175711133 /nfs/dbraw/zinc/71/11/33/175711133.db2.gz HMWADAHRFQJFED-UMNHJUIQSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N(C)C ZINC000134528791 175723059 /nfs/dbraw/zinc/72/30/59/175723059.db2.gz MLOYHYFKXJPDNS-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CN ZINC000237668601 176070380 /nfs/dbraw/zinc/07/03/80/176070380.db2.gz GNHRANFWBIRYRK-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CN ZINC000237668601 176070383 /nfs/dbraw/zinc/07/03/83/176070383.db2.gz GNHRANFWBIRYRK-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C[C@H]1C[NH3+] ZINC000332446904 176159797 /nfs/dbraw/zinc/15/97/97/176159797.db2.gz MHOQTQKOINDETO-JLLWLGSASA-N 1 3 239.363 0.557 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000332472012 176185563 /nfs/dbraw/zinc/18/55/63/176185563.db2.gz MOTGRQSKZLUEAK-MIMYLULJSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C)C[C@H]1[NH3+] ZINC000333948727 176251628 /nfs/dbraw/zinc/25/16/28/176251628.db2.gz WOYYIXBTNDEQIE-OUAUKWLOSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000356371884 176255714 /nfs/dbraw/zinc/25/57/14/176255714.db2.gz HHSCLEIEYKYYCB-DBIOUOCHSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1CN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000108356758 176267722 /nfs/dbraw/zinc/26/77/22/176267722.db2.gz JNEJUWQHHRHPLY-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000362740282 176270330 /nfs/dbraw/zinc/27/03/30/176270330.db2.gz HXWWWPLYMZSOIC-WOPDTQHZSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000362740282 176270331 /nfs/dbraw/zinc/27/03/31/176270331.db2.gz HXWWWPLYMZSOIC-WOPDTQHZSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCN(C)C ZINC000362877199 176276342 /nfs/dbraw/zinc/27/63/42/176276342.db2.gz RZJVMQKHTCSWBW-GHMZBOCLSA-N 1 3 227.352 0.204 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCN(C)C ZINC000362877199 176276343 /nfs/dbraw/zinc/27/63/43/176276343.db2.gz RZJVMQKHTCSWBW-GHMZBOCLSA-N 1 3 227.352 0.204 20 0 BCADHO C[C@@H]1CN(CCOCC[NH3+])CCS1 ZINC000123511704 176292250 /nfs/dbraw/zinc/29/22/50/176292250.db2.gz NNUBDRHUIUQLHG-SECBINFHSA-N 1 3 204.339 0.399 20 0 BCADHO C[C@@H]1COCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000354409874 176340078 /nfs/dbraw/zinc/34/00/78/176340078.db2.gz LVCBTYJFRDQPTB-NEPJUHHUSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CN)C1 ZINC000237464026 176361015 /nfs/dbraw/zinc/36/10/15/176361015.db2.gz IRWXSEILVWLIKV-GHMZBOCLSA-N 1 3 227.352 0.429 20 0 BCADHO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1C[NH3+] ZINC000331470068 176363421 /nfs/dbraw/zinc/36/34/21/176363421.db2.gz VYYFGUJGVNTYOS-ILAIQSSSSA-N 1 3 225.336 0.165 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)CCN1C ZINC000132969972 176372675 /nfs/dbraw/zinc/37/26/75/176372675.db2.gz CGQGCZVXCRJMTL-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO NC1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCC1 ZINC000335451761 487634418 /nfs/dbraw/zinc/63/44/18/487634418.db2.gz GFGVWMZBXVWLCB-GFCCVEGCSA-N 1 3 237.347 0.470 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CCCCC1 ZINC000049575509 176756629 /nfs/dbraw/zinc/75/66/29/176756629.db2.gz ZLTLGNVOLBAXDP-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1CCC[N@H+](CCNC(=O)C2(N)CC2)C1 ZINC000237497741 177097476 /nfs/dbraw/zinc/09/74/76/177097476.db2.gz VCGHZLQITYKZBF-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1CCC[N@@H+](CCNC(=O)C2(N)CC2)C1 ZINC000237497741 177097477 /nfs/dbraw/zinc/09/74/77/177097477.db2.gz VCGHZLQITYKZBF-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237498512 177098669 /nfs/dbraw/zinc/09/86/69/177098669.db2.gz RJWZCSDWSCFEJG-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCC[C@@](CNC(=O)CN)([NH+](C)C)C1 ZINC000040670496 177127567 /nfs/dbraw/zinc/12/75/67/177127567.db2.gz NNFNRKIXHDZCIX-CMPLNLGQSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670654 177143790 /nfs/dbraw/zinc/14/37/90/177143790.db2.gz UFAYGOWCKXXSTQ-GVXVVHGQSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000336343915 177157583 /nfs/dbraw/zinc/15/75/83/177157583.db2.gz CWGFRCYRYGTVBG-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336343915 177157584 /nfs/dbraw/zinc/15/75/84/177157584.db2.gz CWGFRCYRYGTVBG-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCCN(C)C2CC2)C1 ZINC000127159550 177175534 /nfs/dbraw/zinc/17/55/34/177175534.db2.gz SJBLJAHBVNDXMC-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)NCCN2CCCC2)C1 ZINC000126124234 177175785 /nfs/dbraw/zinc/17/57/85/177175785.db2.gz WTXGSKGCDXAJCA-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH2+]CC1 ZINC000336516378 177185866 /nfs/dbraw/zinc/18/58/66/177185866.db2.gz AHMXZACPQVXXJB-PHIMTYICSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333668326 177220446 /nfs/dbraw/zinc/22/04/46/177220446.db2.gz MRBATDPEVOPWOL-HBNTYKKESA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1 ZINC000131880709 177224027 /nfs/dbraw/zinc/22/40/27/177224027.db2.gz KPBCFWZXIZCSBO-WCQYABFASA-N 1 3 247.342 0.377 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000331821207 177240114 /nfs/dbraw/zinc/24/01/14/177240114.db2.gz ZGUDSWHAQZDEOW-NGZCFLSTSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1C ZINC000132941710 177328168 /nfs/dbraw/zinc/32/81/68/177328168.db2.gz HTUDXGYCEJBVNO-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@H+]1C ZINC000132941710 177328171 /nfs/dbraw/zinc/32/81/71/177328171.db2.gz HTUDXGYCEJBVNO-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCOCCO ZINC000036908377 177332305 /nfs/dbraw/zinc/33/23/05/177332305.db2.gz AUILJWBNYPIDRC-GRYCIOLGSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCOCCO ZINC000036908377 177332307 /nfs/dbraw/zinc/33/23/07/177332307.db2.gz AUILJWBNYPIDRC-GRYCIOLGSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@H]1NCCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H]1C ZINC000333859234 177396779 /nfs/dbraw/zinc/39/67/79/177396779.db2.gz RQIHRPROKAAMJF-MXWKQRLJSA-N 1 3 240.351 0.130 20 0 BCADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000167659933 487641498 /nfs/dbraw/zinc/64/14/98/487641498.db2.gz KTQCAYYXICGKOY-RYUDHWBXSA-N 1 3 237.347 0.339 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)/C=C/C[NH+](C)C ZINC000492110591 225935019 /nfs/dbraw/zinc/93/50/19/225935019.db2.gz PIMWWJTVQRIWIR-WMADIVHISA-N 1 3 239.363 0.657 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)/C=C/C[NH+](C)C ZINC000493172123 226145793 /nfs/dbraw/zinc/14/57/93/226145793.db2.gz PGNQEPCXNJJDIQ-WAFBPQNNSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000493172123 226145796 /nfs/dbraw/zinc/14/57/96/226145796.db2.gz PGNQEPCXNJJDIQ-WAFBPQNNSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000493172123 226145799 /nfs/dbraw/zinc/14/57/99/226145799.db2.gz PGNQEPCXNJJDIQ-WAFBPQNNSA-N 1 3 239.363 0.657 20 0 BCADHO CN1CC[C@H]2CN(C(=O)/C=C\C[NH+](C)C)C[C@H]21 ZINC000493824458 226255923 /nfs/dbraw/zinc/25/59/23/226255923.db2.gz OQURKDODUXEWPJ-KBIXYVOKSA-N 1 3 237.347 0.267 20 0 BCADHO C[C@H](NCC1=CCN(C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560767 226346359 /nfs/dbraw/zinc/34/63/59/226346359.db2.gz HUKSSWOPPBAOOB-WCQYABFASA-N 1 3 223.364 0.978 20 0 BCADHO O[C@@H]1CCCC[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329315 487657963 /nfs/dbraw/zinc/65/79/63/487657963.db2.gz HAKBZMWXOBCITC-WUHRBBMRSA-N 1 3 224.348 0.689 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678064 487660166 /nfs/dbraw/zinc/66/01/66/487660166.db2.gz QAKJOYJECHYFAV-FRRDWIJNSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678064 487660171 /nfs/dbraw/zinc/66/01/71/487660171.db2.gz QAKJOYJECHYFAV-FRRDWIJNSA-N 1 3 244.379 0.390 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000335720945 487661684 /nfs/dbraw/zinc/66/16/84/487661684.db2.gz UWOOMEXHQMZJMF-ZJUUUORDSA-N 1 3 225.336 0.644 20 0 BCADHO COc1ccc2c(c1)OC[C@@H](NCCC[NH3+])C2 ZINC000415113002 487667960 /nfs/dbraw/zinc/66/79/60/487667960.db2.gz SDNFMQKZFNQDAQ-NSHDSACASA-N 1 3 236.315 0.937 20 0 BCADHO CN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082545995 487669385 /nfs/dbraw/zinc/66/93/85/487669385.db2.gz BXPNVNOKMNZLPR-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO [NH3+]CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000087618511 487672550 /nfs/dbraw/zinc/67/25/50/487672550.db2.gz QRTJRWGOXJSWFQ-LBPRGKRZSA-N 1 3 233.315 0.338 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[NH+](C)C ZINC000174591574 229387237 /nfs/dbraw/zinc/38/72/37/229387237.db2.gz CUXSEAFVQSXQGU-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)OCCN(C)CCOCC[NH3+] ZINC000087978057 487693490 /nfs/dbraw/zinc/69/34/90/487693490.db2.gz YVIXQKHSFZDRFE-UHFFFAOYSA-N 1 3 204.314 0.319 20 0 BCADHO CN(CCNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000082772586 487696533 /nfs/dbraw/zinc/69/65/33/487696533.db2.gz LCISADJNEYUEQC-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398949783 262772912 /nfs/dbraw/zinc/77/29/12/262772912.db2.gz BHHWLVGBIVJJMF-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO CN(CCCF)CCN1CC[NH2+]CC1 ZINC000088026350 487699653 /nfs/dbraw/zinc/69/96/53/487699653.db2.gz ROQIOQOZCQMBLD-UHFFFAOYSA-N 1 3 203.305 0.183 20 0 BCADHO CC(C)[C@H](C(=O)NCC[NH2+]C1CC1)N(C)C ZINC000151513295 487701904 /nfs/dbraw/zinc/70/19/04/487701904.db2.gz GTTOFAYMERXIAZ-LLVKDONJSA-N 1 3 227.352 0.441 20 0 BCADHO CN1CCC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000669403143 487705863 /nfs/dbraw/zinc/70/58/63/487705863.db2.gz LNNXRIFHCDYQRB-WDEREUQCSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000669403382 487706573 /nfs/dbraw/zinc/70/65/73/487706573.db2.gz YACIAUWNPCLLHS-IVZWLZJFSA-N 1 3 228.340 0.116 20 0 BCADHO O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCCCN1 ZINC000033792078 487707388 /nfs/dbraw/zinc/70/73/88/487707388.db2.gz OHMZVNUOFZJEOH-GHMZBOCLSA-N 1 3 225.336 0.387 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCNCC1(C)C ZINC000309272872 487708073 /nfs/dbraw/zinc/70/80/73/487708073.db2.gz LNIIIDKHJMUCDG-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO NCCC[NH2+]CCn1cnc2ccccc21 ZINC000163291702 487708195 /nfs/dbraw/zinc/70/81/95/487708195.db2.gz OZJONIOVJVQDTN-UHFFFAOYSA-N 1 3 218.304 0.975 20 0 BCADHO [NH3+]CCCNCCn1cnc2ccccc21 ZINC000163291702 487708203 /nfs/dbraw/zinc/70/82/03/487708203.db2.gz OZJONIOVJVQDTN-UHFFFAOYSA-N 1 3 218.304 0.975 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662824991 487722930 /nfs/dbraw/zinc/72/29/30/487722930.db2.gz XLKBFRNUQSQUNK-UWVGGRQHSA-N 1 3 239.363 0.903 20 0 BCADHO CN(C[C@H]1CC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250356395 487730940 /nfs/dbraw/zinc/73/09/40/487730940.db2.gz BXPNVNOKMNZLPR-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000226397354 487731254 /nfs/dbraw/zinc/73/12/54/487731254.db2.gz URFJDLVGNSNWJO-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CNC(=O)CC1([NH3+])CCC1)N(C)C1CC1 ZINC000226399559 487734159 /nfs/dbraw/zinc/73/41/59/487734159.db2.gz ZHBITDNEGQYLFR-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403714 487734364 /nfs/dbraw/zinc/73/43/64/487734364.db2.gz HOZUDCICINUDKJ-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403714 487734370 /nfs/dbraw/zinc/73/43/70/487734370.db2.gz HOZUDCICINUDKJ-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO O=C1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[C@@H]2N1 ZINC000250680151 487739402 /nfs/dbraw/zinc/73/94/02/487739402.db2.gz XXXZBBWWRRQJPX-TUAOUCFPSA-N 1 3 237.347 0.196 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000155244587 487740263 /nfs/dbraw/zinc/74/02/63/487740263.db2.gz IMLPWSGYQLPZTO-IUCAKERBSA-N 1 3 201.314 0.167 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](C)O)C1 ZINC000076453490 487741848 /nfs/dbraw/zinc/74/18/48/487741848.db2.gz RXFYIRWIPGXFBJ-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CCC[N@H+]1CC[C@H](CNC[C@@H](C)O)C1 ZINC000076453490 487741851 /nfs/dbraw/zinc/74/18/51/487741851.db2.gz RXFYIRWIPGXFBJ-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076453490 487741859 /nfs/dbraw/zinc/74/18/59/487741859.db2.gz RXFYIRWIPGXFBJ-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CC(=O)N1CCC(N[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000401724591 487763290 /nfs/dbraw/zinc/76/32/90/487763290.db2.gz KUGDDPOLOYFDLV-ZWNOBZJWSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CC[C@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617391 487772709 /nfs/dbraw/zinc/77/27/09/487772709.db2.gz GWMARFHHFKJWFT-AAEUAGOBSA-N 1 3 237.347 0.293 20 0 BCADHO CN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617391 487772713 /nfs/dbraw/zinc/77/27/13/487772713.db2.gz GWMARFHHFKJWFT-AAEUAGOBSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCN ZINC000414745107 487822343 /nfs/dbraw/zinc/82/23/43/487822343.db2.gz PBALKYKNSPEJLI-OUAUKWLOSA-N 1 3 200.326 0.817 20 0 BCADHO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCN ZINC000414745107 487822346 /nfs/dbraw/zinc/82/23/46/487822346.db2.gz PBALKYKNSPEJLI-OUAUKWLOSA-N 1 3 200.326 0.817 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCCCN1 ZINC000386382683 487842932 /nfs/dbraw/zinc/84/29/32/487842932.db2.gz DGFALWCJGAOWQR-DCAQKATOSA-N 1 3 225.336 0.385 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000389891711 487844794 /nfs/dbraw/zinc/84/47/94/487844794.db2.gz OAPRNXBACKJOBY-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000389891711 487844799 /nfs/dbraw/zinc/84/47/99/487844799.db2.gz OAPRNXBACKJOBY-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000569603556 322972432 /nfs/dbraw/zinc/97/24/32/322972432.db2.gz RJSASJYUNOAJFW-AXFHLTTASA-N 1 3 227.352 0.617 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655514495 487887228 /nfs/dbraw/zinc/88/72/28/487887228.db2.gz RSPYZXOQZFAGGW-SSDOTTSWSA-N 1 3 241.257 0.334 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H](CN)C(F)(F)F ZINC000655516257 487898243 /nfs/dbraw/zinc/89/82/43/487898243.db2.gz QVSAXWDXUXLMSW-NTSWFWBYSA-N 1 3 227.230 0.120 20 0 BCADHO CN(C)C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000653493387 487926723 /nfs/dbraw/zinc/92/67/23/487926723.db2.gz UQJCUDPLWMNGFI-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000157850093 487927036 /nfs/dbraw/zinc/92/70/36/487927036.db2.gz UDPUGIAJTPPTKU-WDEREUQCSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000157850361 487927296 /nfs/dbraw/zinc/92/72/96/487927296.db2.gz UDPUGIAJTPPTKU-QWRGUYRKSA-N 1 3 227.352 0.583 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364272 487934211 /nfs/dbraw/zinc/93/42/11/487934211.db2.gz CHWFBXTZCHZGCP-NXEZZACHSA-N 1 3 234.290 0.688 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364272 487934215 /nfs/dbraw/zinc/93/42/15/487934215.db2.gz CHWFBXTZCHZGCP-NXEZZACHSA-N 1 3 234.290 0.688 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364275 487934136 /nfs/dbraw/zinc/93/41/36/487934136.db2.gz CHWFBXTZCHZGCP-ZJUUUORDSA-N 1 3 234.290 0.688 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364275 487934139 /nfs/dbraw/zinc/93/41/39/487934139.db2.gz CHWFBXTZCHZGCP-ZJUUUORDSA-N 1 3 234.290 0.688 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000235227678 487936658 /nfs/dbraw/zinc/93/66/58/487936658.db2.gz TWKJCGDIAOIBMA-BBBLOLIVSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH3+])N1CCCCC1 ZINC000194896763 487950500 /nfs/dbraw/zinc/95/05/00/487950500.db2.gz FDNZILFXXDJGLN-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@@H](CNC(=O)CCCC[NH3+])c1ccccc1 ZINC000569482892 322967771 /nfs/dbraw/zinc/96/77/71/322967771.db2.gz XUYLPJJEVFUTGE-LBPRGKRZSA-N 1 3 235.331 0.932 20 0 BCADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000397489215 323021207 /nfs/dbraw/zinc/02/12/07/323021207.db2.gz YFHPTMYRXFFLMR-IJLUTSLNSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000397489215 323021208 /nfs/dbraw/zinc/02/12/08/323021208.db2.gz YFHPTMYRXFFLMR-IJLUTSLNSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397489215 323021209 /nfs/dbraw/zinc/02/12/09/323021209.db2.gz YFHPTMYRXFFLMR-IJLUTSLNSA-N 1 3 241.379 0.770 20 0 BCADHO N[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000569720841 323038697 /nfs/dbraw/zinc/03/86/97/323038697.db2.gz LOIZLHPWOXYDPJ-ONGXEEELSA-N 1 3 225.336 0.230 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)CC(F)F ZINC000570214727 323052960 /nfs/dbraw/zinc/05/29/60/323052960.db2.gz BNFIPEGXUHKAIK-LYFYHCNISA-N 1 3 223.267 0.211 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000570214729 323052985 /nfs/dbraw/zinc/05/29/85/323052985.db2.gz BNFIPEGXUHKAIK-XVMARJQXSA-N 1 3 223.267 0.211 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)C1CCC1 ZINC000570319589 323056025 /nfs/dbraw/zinc/05/60/25/323056025.db2.gz JYYAZEFSBOEPJI-SNVBAGLBSA-N 1 3 213.325 0.230 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC1CC[NH2+]CC1 ZINC000570395868 323058312 /nfs/dbraw/zinc/05/83/12/323058312.db2.gz ACNAKHVQCVPXPM-GFCCVEGCSA-N 1 3 227.352 0.620 20 0 BCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC[NH3+] ZINC000570827294 323071949 /nfs/dbraw/zinc/07/19/49/323071949.db2.gz OPLFOSCNTGROAP-NSHDSACASA-N 1 3 242.367 0.365 20 0 BCADHO NC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000570841810 323072496 /nfs/dbraw/zinc/07/24/96/323072496.db2.gz NQJHYSFCOVPGDV-NDBYEHHHSA-N 1 3 245.326 0.063 20 0 BCADHO CC(C)[NH2+]CCCN[C@@H]1CN(C)C[C@@H]1C ZINC000570918474 323074218 /nfs/dbraw/zinc/07/42/18/323074218.db2.gz PGJTZEDQVLDDFD-NWDGAFQWSA-N 1 3 213.369 0.914 20 0 BCADHO COCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570928629 323074493 /nfs/dbraw/zinc/07/44/93/323074493.db2.gz KQKIFOUDFQTXGP-NSHDSACASA-N 1 3 228.336 0.320 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCC1 ZINC000531357264 323088042 /nfs/dbraw/zinc/08/80/42/323088042.db2.gz MVBRMXBOQAPXCP-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000494573458 323088644 /nfs/dbraw/zinc/08/86/44/323088644.db2.gz FZKVEFNSERDCMN-GARJFASQSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503509 323089897 /nfs/dbraw/zinc/08/98/97/323089897.db2.gz SRCSQMGRXBSMRJ-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000563086958 323090663 /nfs/dbraw/zinc/09/06/63/323090663.db2.gz XEMLOHUDALMGPE-QMMMGPOBSA-N 1 3 211.309 0.125 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000563109163 323092998 /nfs/dbraw/zinc/09/29/98/323092998.db2.gz ZMFXUZICBYECDK-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000563116842 323093257 /nfs/dbraw/zinc/09/32/57/323093257.db2.gz OMTDNCCTSFFJRQ-AEJSXWLSSA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000563119133 323094003 /nfs/dbraw/zinc/09/40/03/323094003.db2.gz LEXPSAZYQZWAIX-WCQYABFASA-N 1 3 247.342 0.727 20 0 BCADHO CC1(CN2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000563135606 323094411 /nfs/dbraw/zinc/09/44/11/323094411.db2.gz RNSGRMHGOLYEAS-LBPRGKRZSA-N 1 3 223.364 0.766 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000563160312 323097394 /nfs/dbraw/zinc/09/73/94/323097394.db2.gz JLLMYQMDIYQLSH-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000563160312 323097395 /nfs/dbraw/zinc/09/73/95/323097395.db2.gz JLLMYQMDIYQLSH-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563169272 323099721 /nfs/dbraw/zinc/09/97/21/323099721.db2.gz GJRLBAGUQXINQP-CIUDSAMLSA-N 1 3 201.314 0.212 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563200961 323101464 /nfs/dbraw/zinc/10/14/64/323101464.db2.gz CTLQCRFRBCRIJB-IJLUTSLNSA-N 1 3 239.363 0.680 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567925302 323101512 /nfs/dbraw/zinc/10/15/12/323101512.db2.gz ITMDTTRVCJPGQB-VGMNWLOBSA-N 1 3 233.381 0.309 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563338714 323119180 /nfs/dbraw/zinc/11/91/80/323119180.db2.gz MURFFHBFZFZZQF-SNVBAGLBSA-N 1 3 213.325 0.311 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CNCCC2(F)F)C1 ZINC000563423081 323124329 /nfs/dbraw/zinc/12/43/29/323124329.db2.gz CRZUETNFEMIRQR-UTLUCORTSA-N 1 3 233.306 0.843 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000563583030 323130464 /nfs/dbraw/zinc/13/04/64/323130464.db2.gz FREGUGGBDPHIIU-ZDUSSCGKSA-N 1 3 249.358 0.845 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000563583045 323130477 /nfs/dbraw/zinc/13/04/77/323130477.db2.gz HNUWBOFVZGUSJJ-IJLUTSLNSA-N 1 3 239.363 0.490 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000571083168 323135196 /nfs/dbraw/zinc/13/51/96/323135196.db2.gz GIFYVFBOUSSVAS-ONGXEEELSA-N 1 3 215.341 0.748 20 0 BCADHO CC(C)(N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571325645 323141415 /nfs/dbraw/zinc/14/14/15/323141415.db2.gz VJMXYAVFEMTDRH-VIFPVBQESA-N 1 3 213.325 0.372 20 0 BCADHO COC[C@H](C)[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000571443584 323145036 /nfs/dbraw/zinc/14/50/36/323145036.db2.gz YLXFOGLXFQIXHM-RYUDHWBXSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@H](C)[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000571443584 323145037 /nfs/dbraw/zinc/14/50/37/323145037.db2.gz YLXFOGLXFQIXHM-RYUDHWBXSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@H](C)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571443584 323145038 /nfs/dbraw/zinc/14/50/38/323145038.db2.gz YLXFOGLXFQIXHM-RYUDHWBXSA-N 1 3 242.363 0.709 20 0 BCADHO COCCOCCN1CCC(CC[NH3+])CC1 ZINC000070535989 323196811 /nfs/dbraw/zinc/19/68/11/323196811.db2.gz VUARDDHVWVSFRL-UHFFFAOYSA-N 1 3 230.352 0.710 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000399106717 323196929 /nfs/dbraw/zinc/19/69/29/323196929.db2.gz XVVCAPIENNMHRQ-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCN1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530181417 323205636 /nfs/dbraw/zinc/20/56/36/323205636.db2.gz JSCGXTYKRZNMCL-GFCCVEGCSA-N 1 3 227.352 0.049 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2COCCN2)CC1 ZINC000530181417 323205637 /nfs/dbraw/zinc/20/56/37/323205637.db2.gz JSCGXTYKRZNMCL-GFCCVEGCSA-N 1 3 227.352 0.049 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000532217327 323208948 /nfs/dbraw/zinc/20/89/48/323208948.db2.gz NKLZAEALNIAYII-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000532217327 323208949 /nfs/dbraw/zinc/20/89/49/323208949.db2.gz NKLZAEALNIAYII-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CC(C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210974 323246206 /nfs/dbraw/zinc/24/62/06/323246206.db2.gz JUPWUFUNVMECLH-UHFFFAOYSA-N 1 3 229.368 0.594 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089256 323383344 /nfs/dbraw/zinc/38/33/44/323383344.db2.gz FVDNLMRZZJWPRH-BBBLOLIVSA-N 1 3 215.341 0.426 20 0 BCADHO [NH3+]CC[C@H](NC(=O)[C@H]1CCCCN1)C(F)F ZINC000571763586 323475013 /nfs/dbraw/zinc/47/50/13/323475013.db2.gz KHNJZQHQGOFIHU-JGVFFNPUSA-N 1 3 235.278 0.227 20 0 BCADHO O=C(CC[NH2+]C1CC1)NCCNc1ccncc1 ZINC000571776365 323479069 /nfs/dbraw/zinc/47/90/69/323479069.db2.gz ZEMVUJIAAJDSDU-UHFFFAOYSA-N 1 3 248.330 0.174 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](C)C[NH2+]C ZINC000086068553 324117567 /nfs/dbraw/zinc/11/75/67/324117567.db2.gz LARHSTXQGVKLJJ-NSHDSACASA-N 1 3 229.368 0.642 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000572499733 324135180 /nfs/dbraw/zinc/13/51/80/324135180.db2.gz ZWXGVQSBJAABRH-YPMHNXCESA-N 1 3 249.358 0.658 20 0 BCADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000572526049 324189999 /nfs/dbraw/zinc/18/99/99/324189999.db2.gz YLDQMFCIBFEAJX-LLVKDONJSA-N 1 3 221.304 0.499 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000131869649 325188119 /nfs/dbraw/zinc/18/81/19/325188119.db2.gz JTSWTDYVSXZGJI-WCQYABFASA-N 1 3 249.358 0.528 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000131870081 325188409 /nfs/dbraw/zinc/18/84/09/325188409.db2.gz JTSWTDYVSXZGJI-AAEUAGOBSA-N 1 3 249.358 0.528 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC1=CC[NH2+]CC1 ZINC000564327919 325383250 /nfs/dbraw/zinc/38/32/50/325383250.db2.gz FWYVWMBUKNMYEY-LBPRGKRZSA-N 1 3 225.336 0.540 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000564956776 325833714 /nfs/dbraw/zinc/83/37/14/325833714.db2.gz SCVXTOXHTFCQNP-AXFHLTTASA-N 1 3 227.352 0.603 20 0 BCADHO CN[C@@H](C)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000565214414 325876906 /nfs/dbraw/zinc/87/69/06/325876906.db2.gz OOUAQJZPLUCPJP-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO CN[C@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000565214454 325877031 /nfs/dbraw/zinc/87/70/31/325877031.db2.gz PDMQNTAZUBFWHF-DVVUODLYSA-N 1 3 225.336 0.099 20 0 BCADHO [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3CCN3)cc2C1 ZINC000565652054 325938489 /nfs/dbraw/zinc/93/84/89/325938489.db2.gz FGJLWKPQBJOZFJ-JOYOIKCWSA-N 1 3 246.314 0.198 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCC[NH3+] ZINC000566190354 326009624 /nfs/dbraw/zinc/00/96/24/326009624.db2.gz TYRLZXOOZXCAMB-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000566201707 326011974 /nfs/dbraw/zinc/01/19/74/326011974.db2.gz YAWBHQBZIZJHFC-ZJUUUORDSA-N 1 3 225.336 0.454 20 0 BCADHO NC[C@H](C(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC000566203540 326012385 /nfs/dbraw/zinc/01/23/85/326012385.db2.gz LBDYCJCJNPNCNI-NSHDSACASA-N 1 3 239.294 0.333 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566213635 326014808 /nfs/dbraw/zinc/01/48/08/326014808.db2.gz ZBVRAWCCEDBXIW-HBNTYKKESA-N 1 3 225.336 0.228 20 0 BCADHO C[NH+](C)C[C@@H](O)CNC[C@H](O)CC1CCCC1 ZINC000566233418 326019923 /nfs/dbraw/zinc/01/99/23/326019923.db2.gz JPDRYCBIKYLHCM-OLZOCXBDSA-N 1 3 244.379 0.440 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566412411 326041047 /nfs/dbraw/zinc/04/10/47/326041047.db2.gz VVXJQGGKRWRZRQ-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000566618780 326068593 /nfs/dbraw/zinc/06/85/93/326068593.db2.gz FVRKRRDBQHRRRH-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC000566736686 326078407 /nfs/dbraw/zinc/07/84/07/326078407.db2.gz LYYWQYFFLIBAAK-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO C[C@@H](O)[C@@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000566910882 326092907 /nfs/dbraw/zinc/09/29/07/326092907.db2.gz KTQQUADXXVAKBF-VXGBXAGGSA-N 1 3 243.395 0.371 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000566913067 326093488 /nfs/dbraw/zinc/09/34/88/326093488.db2.gz PKVSANCNXFNQLS-JBLDHEPKSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(N)C(F)(F)F)CC[NH2+]1 ZINC000567047546 326106201 /nfs/dbraw/zinc/10/62/01/326106201.db2.gz IZPJJOVGFGTQJV-VQVTYTSYSA-N 1 3 239.241 0.133 20 0 BCADHO CC[NH2+]CCCN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000567159326 326125562 /nfs/dbraw/zinc/12/55/62/326125562.db2.gz GBPQUCCNUZKTFK-STQMWFEESA-N 1 3 241.379 0.343 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCSC ZINC000567232856 326147548 /nfs/dbraw/zinc/14/75/48/326147548.db2.gz NFJCMXCIKRVOGI-VHSXEESVSA-N 1 3 247.408 0.701 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)C1(N)CCC1 ZINC000567268506 326153350 /nfs/dbraw/zinc/15/33/50/326153350.db2.gz CTVNOTFZBKAHMY-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000309784629 326163012 /nfs/dbraw/zinc/16/30/12/326163012.db2.gz NSFLIWUGFWMTEB-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000309823349 326170442 /nfs/dbraw/zinc/17/04/42/326170442.db2.gz WVEWHSHMXFQGAX-FRRDWIJNSA-N 1 3 225.380 0.868 20 0 BCADHO CSC[C@@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000567378085 326179043 /nfs/dbraw/zinc/17/90/43/326179043.db2.gz OPDXFIPZHYGSTJ-UWVGGRQHSA-N 1 3 220.382 0.640 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000567383893 326180756 /nfs/dbraw/zinc/18/07/56/326180756.db2.gz CZEBFVFKXACOFD-GWCFXTLKSA-N 1 3 239.363 0.633 20 0 BCADHO COC[C@H](C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000310250747 326188254 /nfs/dbraw/zinc/18/82/54/326188254.db2.gz NZJXIZZAWVUTME-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO COC[C@H](C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000310250747 326188256 /nfs/dbraw/zinc/18/82/56/326188256.db2.gz NZJXIZZAWVUTME-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567469984 326199219 /nfs/dbraw/zinc/19/92/19/326199219.db2.gz FLQDJYCHFJCABG-AXFHLTTASA-N 1 3 227.352 0.603 20 0 BCADHO CCC[C@H](C(=O)NCC[N@H+](C)CC)N(C)C ZINC000155882153 326213664 /nfs/dbraw/zinc/21/36/64/326213664.db2.gz SZRBUJDTSPCUBO-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CCC[C@H](C(=O)NCC[N@@H+](C)CC)N(C)C ZINC000155882153 326213666 /nfs/dbraw/zinc/21/36/66/326213666.db2.gz SZRBUJDTSPCUBO-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO C[C@@H]([NH3+])CN1CCNC[C@H]1c1cccnc1 ZINC000567614051 326229577 /nfs/dbraw/zinc/22/95/77/326229577.db2.gz ZYRLVAUCUYMREA-PWSUYJOCSA-N 1 3 220.320 0.375 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H]1CCCCN1 ZINC000572586000 326239811 /nfs/dbraw/zinc/23/98/11/326239811.db2.gz GNIRDYLQJFCETJ-LLVKDONJSA-N 1 3 227.352 0.633 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(N)=O)C1 ZINC000567685195 326244761 /nfs/dbraw/zinc/24/47/61/326244761.db2.gz XDLNMOPTZAKMAT-NSHDSACASA-N 1 3 227.352 0.429 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(N)=O)C1 ZINC000567685195 326244762 /nfs/dbraw/zinc/24/47/62/326244762.db2.gz XDLNMOPTZAKMAT-NSHDSACASA-N 1 3 227.352 0.429 20 0 BCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc2c(c1)CNC2 ZINC000567733366 326252801 /nfs/dbraw/zinc/25/28/01/326252801.db2.gz FCIFGKWOBRUDNP-ITGUQSILSA-N 1 3 243.310 0.237 20 0 BCADHO CC[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000567815103 326262033 /nfs/dbraw/zinc/26/20/33/326262033.db2.gz YVXYWIKMMZUXQV-LLVKDONJSA-N 1 3 237.303 0.700 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)C2(N)CCC2)C1 ZINC000567837232 326267122 /nfs/dbraw/zinc/26/71/22/326267122.db2.gz CGQNDMZBDBPDTL-SNVBAGLBSA-N 1 3 211.309 0.065 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000567839292 326267800 /nfs/dbraw/zinc/26/78/00/326267800.db2.gz GGOHWFFKKRKYNQ-JQWIXIFHSA-N 1 3 227.352 0.476 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000157349906 326269614 /nfs/dbraw/zinc/26/96/14/326269614.db2.gz MGWREXRNPUVUCP-VIFPVBQESA-N 1 3 247.408 0.571 20 0 BCADHO [NH3+]CCCN1CCNC[C@@H]1c1cccnc1 ZINC000567871040 326273969 /nfs/dbraw/zinc/27/39/69/326273969.db2.gz LDDHFWSDUMWVIJ-GFCCVEGCSA-N 1 3 220.320 0.377 20 0 BCADHO CNC[C@H](O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000567876132 326275411 /nfs/dbraw/zinc/27/54/11/326275411.db2.gz PBBWQPAQTJIHFY-CXQJBGSLSA-N 1 3 230.352 0.098 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)N(C)C ZINC000158276718 326314740 /nfs/dbraw/zinc/31/47/40/326314740.db2.gz FVUQJBHQWRSMFF-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)N(C)C ZINC000158276718 326314741 /nfs/dbraw/zinc/31/47/41/326314741.db2.gz FVUQJBHQWRSMFF-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)C1 ZINC000568248190 326334281 /nfs/dbraw/zinc/33/42/81/326334281.db2.gz JVNVFZWPBSUTCC-RVMXOQNASA-N 1 3 242.363 0.491 20 0 BCADHO NC(=O)C1(C[NH2+][C@H]2CCC[C@H](N)C2)CCCC1 ZINC000568249089 326334738 /nfs/dbraw/zinc/33/47/38/326334738.db2.gz HFRTVWCTQKAJBV-QWRGUYRKSA-N 1 3 239.363 0.892 20 0 BCADHO NC(=O)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000568249089 326334740 /nfs/dbraw/zinc/33/47/40/326334740.db2.gz HFRTVWCTQKAJBV-QWRGUYRKSA-N 1 3 239.363 0.892 20 0 BCADHO CCN(CCNC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000568294406 326342631 /nfs/dbraw/zinc/34/26/31/326342631.db2.gz QTOUKRLDUAFYQJ-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](N)c1ccccc1 ZINC000568738229 326374077 /nfs/dbraw/zinc/37/40/77/326374077.db2.gz ZJRJDWJEOPUNIE-DRZSPHRISA-N 1 3 247.342 0.801 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000568747761 326374658 /nfs/dbraw/zinc/37/46/58/326374658.db2.gz MGPLAEDULRTXIL-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000568760774 326375505 /nfs/dbraw/zinc/37/55/05/326375505.db2.gz BCUHXDJNNLQXNG-ZDCRXTMVSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000568879360 326381057 /nfs/dbraw/zinc/38/10/57/326381057.db2.gz XOIOFOHYCSBEKW-UWVGGRQHSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000568998817 326385782 /nfs/dbraw/zinc/38/57/82/326385782.db2.gz GGOHWFFKKRKYNQ-PWSUYJOCSA-N 1 3 227.352 0.476 20 0 BCADHO C[NH+](C)CCc1ccc(CNCCC(N)=O)cc1 ZINC000569214923 326395429 /nfs/dbraw/zinc/39/54/29/326395429.db2.gz XZZQZAWKXMJHJJ-UHFFFAOYSA-N 1 3 249.358 0.756 20 0 BCADHO CSC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000569232715 326396462 /nfs/dbraw/zinc/39/64/62/326396462.db2.gz JSEZPZQBVPSFFV-PWSUYJOCSA-N 1 3 244.404 0.950 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000572999498 326424050 /nfs/dbraw/zinc/42/40/50/326424050.db2.gz CGHYNASWJOUYJG-UWVGGRQHSA-N 1 3 245.392 0.183 20 0 BCADHO CC[NH2+]CCCNC(=O)C1(N)CCCC1 ZINC000309502622 487979690 /nfs/dbraw/zinc/97/96/90/487979690.db2.gz VENREKIEBBKLBT-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CC[C@@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000229934841 487999798 /nfs/dbraw/zinc/99/97/98/487999798.db2.gz UBEAHEFXPKXHMW-SNVBAGLBSA-N 1 3 223.324 0.784 20 0 BCADHO C[C@H](CO)C[N@H+](C)CCCN(C)CCN(C)C ZINC000677221225 488002891 /nfs/dbraw/zinc/00/28/91/488002891.db2.gz DMKMGOLAUFXACX-ZDUSSCGKSA-N 1 3 245.411 0.430 20 0 BCADHO C[C@H](CO)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000677221225 488002897 /nfs/dbraw/zinc/00/28/97/488002897.db2.gz DMKMGOLAUFXACX-ZDUSSCGKSA-N 1 3 245.411 0.430 20 0 BCADHO CN(CC[C@@H]1CC[NH2+]C1)CC(=O)N1CCCC1 ZINC000396740791 488003716 /nfs/dbraw/zinc/00/37/16/488003716.db2.gz PSHGXIVELLKIKV-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000309646838 488010203 /nfs/dbraw/zinc/01/02/03/488010203.db2.gz QUOLQNFYGUVIPW-BETUJISGSA-N 1 3 224.348 0.954 20 0 BCADHO CC1CCN(CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000084183964 488034996 /nfs/dbraw/zinc/03/49/96/488034996.db2.gz VUQIZJPYAIPLQK-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395285 488049153 /nfs/dbraw/zinc/04/91/53/488049153.db2.gz LPNMIOROEZAXCS-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669490896 488053084 /nfs/dbraw/zinc/05/30/84/488053084.db2.gz DJRGPWUVTNAXKJ-KOLCDFICSA-N 1 3 240.351 0.117 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(CC)CC ZINC000449569074 488072116 /nfs/dbraw/zinc/07/21/16/488072116.db2.gz GBYLMIDNDCTOTA-KXNHARMFSA-N 1 3 239.363 0.441 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(CC)CC ZINC000449569075 488072124 /nfs/dbraw/zinc/07/21/24/488072124.db2.gz GBYLMIDNDCTOTA-WHOHXGKFSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)N(C)CC(=O)NCC[NH2+]C1CC1 ZINC000236648916 488079519 /nfs/dbraw/zinc/07/95/19/488079519.db2.gz ZTONQKZDYLOAPI-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000389442419 488096983 /nfs/dbraw/zinc/09/69/83/488096983.db2.gz OFEFDNIUMULFMV-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000389442419 488096987 /nfs/dbraw/zinc/09/69/87/488096987.db2.gz OFEFDNIUMULFMV-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237052752 488101619 /nfs/dbraw/zinc/10/16/19/488101619.db2.gz ILQMUVYMCQHWCY-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237052752 488101621 /nfs/dbraw/zinc/10/16/21/488101621.db2.gz ILQMUVYMCQHWCY-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CN1CCC(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000237105239 488104078 /nfs/dbraw/zinc/10/40/78/488104078.db2.gz AGLANFYQKSNXCF-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000389662450 488104889 /nfs/dbraw/zinc/10/48/89/488104889.db2.gz SDKKBSRBSCPWJT-YPMHNXCESA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000389664982 488105900 /nfs/dbraw/zinc/10/59/00/488105900.db2.gz SVTUSMVGTSHXGT-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000389664979 488105992 /nfs/dbraw/zinc/10/59/92/488105992.db2.gz SVTUSMVGTSHXGT-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@]1(C(=O)NC[C@@H](N)c2ccccc2)CCC[NH2+]1 ZINC000669510723 488113469 /nfs/dbraw/zinc/11/34/69/488113469.db2.gz XNFSXEFUJPRAGB-OCCSQVGLSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512035 488116918 /nfs/dbraw/zinc/11/69/18/488116918.db2.gz SPAPTGQOMUANKX-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCC1(C)C ZINC000669512432 488118818 /nfs/dbraw/zinc/11/88/18/488118818.db2.gz VBEORDCFWDLSNJ-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CC(C)C ZINC000669512730 488119713 /nfs/dbraw/zinc/11/97/13/488119713.db2.gz KZWFCRYUTXMTPR-GHMZBOCLSA-N 1 3 229.368 0.994 20 0 BCADHO CN1CCC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000258579501 488122918 /nfs/dbraw/zinc/12/29/18/488122918.db2.gz PUQBFPLSUUPFIO-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514721 488124484 /nfs/dbraw/zinc/12/44/84/488124484.db2.gz CFKWCNBDNWEZGI-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC[C@H](C)[NH3+])CCN1 ZINC000669514989 488125218 /nfs/dbraw/zinc/12/52/18/488125218.db2.gz ZNXWNWXUKICFBT-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000258652551 488126210 /nfs/dbraw/zinc/12/62/10/488126210.db2.gz SHPXGBQOGZDBHI-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO C1CC1N1CCC(N[C@H]2CC[NH2+]C2)CC1 ZINC000086727863 487537507 /nfs/dbraw/zinc/53/75/07/487537507.db2.gz XFYRIPLWKXWZKM-NSHDSACASA-N 1 3 209.337 0.565 20 0 BCADHO C[C@H](CCO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000085131491 488132125 /nfs/dbraw/zinc/13/21/25/488132125.db2.gz SVTIHWXVLZLMJB-NEPJUHHUSA-N 1 3 230.352 0.051 20 0 BCADHO COC[C@@H](CN[C@H]1CC[NH2+]CC1(C)C)OC ZINC000300857407 487541024 /nfs/dbraw/zinc/54/10/24/487541024.db2.gz OQLKUTLQPMHSOR-MNOVXSKESA-N 1 3 230.352 0.626 20 0 BCADHO COC[C@@H](C[NH2+][C@H]1CCNCC1(C)C)OC ZINC000300857407 487541033 /nfs/dbraw/zinc/54/10/33/487541033.db2.gz OQLKUTLQPMHSOR-MNOVXSKESA-N 1 3 230.352 0.626 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@@H](C)N1CCCC1 ZINC000161041721 487473648 /nfs/dbraw/zinc/47/36/48/487473648.db2.gz NGTALKDOFBHBFQ-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](CNC(=O)CC1([NH3+])CCC1)N1CCCC1 ZINC000161063962 487474804 /nfs/dbraw/zinc/47/48/04/487474804.db2.gz LURAMYKFONTONJ-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CCN1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000391496143 487481259 /nfs/dbraw/zinc/48/12/59/487481259.db2.gz GXOXIUAVCRINLE-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000086067807 487477862 /nfs/dbraw/zinc/47/78/62/487477862.db2.gz ZGNWYABTMPDFPL-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CN1C1CC1 ZINC000237506881 487479003 /nfs/dbraw/zinc/47/90/03/487479003.db2.gz RIAGQNPMJIUTBD-NXEZZACHSA-N 1 3 239.363 0.855 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN(C)C1CC1 ZINC000062010201 487492456 /nfs/dbraw/zinc/49/24/56/487492456.db2.gz IQQPNKHUCJQEHG-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000669318269 487520581 /nfs/dbraw/zinc/52/05/81/487520581.db2.gz KLTDLBRHNICBOZ-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662273673 487521749 /nfs/dbraw/zinc/52/17/49/487521749.db2.gz XTKPEFQURADFDC-QJPTWQEYSA-N 1 3 239.363 0.190 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000162049670 487534297 /nfs/dbraw/zinc/53/42/97/487534297.db2.gz ZMIHDILHYZNGMA-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CC[C@@H]1[NH3+] ZINC000662243805 490041055 /nfs/dbraw/zinc/04/10/55/490041055.db2.gz KGKNFTAOHXSOAC-UTUOFQBUSA-N 1 3 239.363 0.177 20 0 BCADHO N[C@H](CNC(=O)CC[NH3+])c1ccccc1 ZINC000309634552 490045030 /nfs/dbraw/zinc/04/50/30/490045030.db2.gz SAFWBZOVPGYCOH-SNVBAGLBSA-N 1 3 207.277 0.151 20 0 BCADHO NC(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000353425861 487704256 /nfs/dbraw/zinc/70/42/56/487704256.db2.gz IAOBQRGMFOUICF-QYNIQEEDSA-N 1 3 239.241 0.262 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000309217115 488059954 /nfs/dbraw/zinc/05/99/54/488059954.db2.gz FTIXDVQEPJEFGR-RYUDHWBXSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]1CO ZINC000309217115 488059958 /nfs/dbraw/zinc/05/99/58/488059958.db2.gz FTIXDVQEPJEFGR-RYUDHWBXSA-N 1 3 230.352 0.144 20 0 BCADHO CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000380131294 488174585 /nfs/dbraw/zinc/17/45/85/488174585.db2.gz SWAQBDIGVOVWFR-PSASIEDQSA-N 1 3 201.314 0.213 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990837 488178801 /nfs/dbraw/zinc/17/88/01/488178801.db2.gz YOZZOPIXQGNBKS-UPJWGTAASA-N 1 3 240.347 0.210 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990837 488178805 /nfs/dbraw/zinc/17/88/05/488178805.db2.gz YOZZOPIXQGNBKS-UPJWGTAASA-N 1 3 240.347 0.210 20 0 BCADHO CC(C)(C[NH3+])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000167657948 488183411 /nfs/dbraw/zinc/18/34/11/488183411.db2.gz OEKLIGVBHPNHIR-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000037477078 488186548 /nfs/dbraw/zinc/18/65/48/488186548.db2.gz OVVXFTIPXBBPFR-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CO[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@H]1C ZINC000299903444 488193997 /nfs/dbraw/zinc/19/39/97/488193997.db2.gz DTNMGZYMBZRQCI-IJLUTSLNSA-N 1 3 212.337 0.953 20 0 BCADHO CC1CCN(CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000398066697 488206986 /nfs/dbraw/zinc/20/69/86/488206986.db2.gz DOPQAICCRNEIJC-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN3CC[C@H]2C3)CC[N@@H+]1C ZINC000615573428 490240702 /nfs/dbraw/zinc/24/07/02/490240702.db2.gz NKEKDFNAMDMZOX-GRYCIOLGSA-N 1 3 237.347 0.243 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN3CC[C@H]2C3)CC[N@H+]1C ZINC000615573428 490240706 /nfs/dbraw/zinc/24/07/06/490240706.db2.gz NKEKDFNAMDMZOX-GRYCIOLGSA-N 1 3 237.347 0.243 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000212547629 490297731 /nfs/dbraw/zinc/29/77/31/490297731.db2.gz IHTAALPMXIMOJZ-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653214791 490390769 /nfs/dbraw/zinc/39/07/69/490390769.db2.gz BHSAKVUSAAQIRF-VIFPVBQESA-N 1 3 213.325 0.215 20 0 BCADHO CN(CC[NH+]1CCCCC1)C[C@H]1CNCCO1 ZINC000126615901 491131994 /nfs/dbraw/zinc/13/19/94/491131994.db2.gz WYPHJENVSPUAQX-CYBMUJFWSA-N 1 3 241.379 0.393 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351826835 535492363 /nfs/dbraw/zinc/49/23/63/535492363.db2.gz JTZMQSOXTLGJMM-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000494310806 533793492 /nfs/dbraw/zinc/79/34/92/533793492.db2.gz LCBCJRUMEVTCLL-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000494310801 533794238 /nfs/dbraw/zinc/79/42/38/533794238.db2.gz LCBCJRUMEVTCLL-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO CCN1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000335305550 535516796 /nfs/dbraw/zinc/51/67/96/535516796.db2.gz QMOXPOXRGSEDRX-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](NCCOCCN(C)C)[C@H]1CCC[NH2+]1 ZINC000400438626 533858792 /nfs/dbraw/zinc/85/87/92/533858792.db2.gz LVOABESDBLMUGI-NWDGAFQWSA-N 1 3 229.368 0.295 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)CCC[NH2+]C ZINC000087471789 535521113 /nfs/dbraw/zinc/52/11/13/535521113.db2.gz QBZWUOWSPZRTBV-LLVKDONJSA-N 1 3 215.341 0.572 20 0 BCADHO CN1CCC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891403216 582678601 /nfs/dbraw/zinc/67/86/01/582678601.db2.gz KEHSIRDJHFPOOX-DCAQKATOSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[NH+](C)C ZINC000174591562 534226360 /nfs/dbraw/zinc/22/63/60/534226360.db2.gz CUXSEAFVQSXQGU-TXEJJXNPSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(C)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000309032790 527801910 /nfs/dbraw/zinc/80/19/10/527801910.db2.gz FZFFEUOCBCYWMG-NEPJUHHUSA-N 1 3 213.369 0.868 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494900322 527818522 /nfs/dbraw/zinc/81/85/22/527818522.db2.gz JBDXAQLFIDTMLL-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494689349 527823989 /nfs/dbraw/zinc/82/39/89/527823989.db2.gz HAYQJJYSVAOWPC-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CCOC(=O)N1CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000496878521 529022568 /nfs/dbraw/zinc/02/25/68/529022568.db2.gz ZJBOAIDGZDWCPW-AXFHLTTASA-N 1 3 243.351 0.933 20 0 BCADHO CCCNC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000084221180 535049658 /nfs/dbraw/zinc/04/96/58/535049658.db2.gz XMPGSXFHLKWICO-QWRGUYRKSA-N 1 3 227.352 0.620 20 0 BCADHO CCCNC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000084221180 535049667 /nfs/dbraw/zinc/04/96/67/535049667.db2.gz XMPGSXFHLKWICO-QWRGUYRKSA-N 1 3 227.352 0.620 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248563437 535049931 /nfs/dbraw/zinc/04/99/31/535049931.db2.gz BGPKDDGURFSVQU-NAKRPEOUSA-N 1 3 225.336 0.165 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)N(C)C ZINC000262590174 535135683 /nfs/dbraw/zinc/13/56/83/535135683.db2.gz QUAMEKJSVMJLFZ-NEPJUHHUSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)N)C1 ZINC000166354519 535174996 /nfs/dbraw/zinc/17/49/96/535174996.db2.gz HYAFWPUHZFKSDY-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](C)N)C1 ZINC000166354519 535175001 /nfs/dbraw/zinc/17/50/01/535175001.db2.gz HYAFWPUHZFKSDY-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)([NH3+])CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000335284618 535201964 /nfs/dbraw/zinc/20/19/64/535201964.db2.gz GDMSKORZMOFGNJ-SNVBAGLBSA-N 1 3 240.351 0.213 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]([NH3+])CC(F)F)CCN1 ZINC000335599286 535341313 /nfs/dbraw/zinc/34/13/13/535341313.db2.gz SXPCTNVSUJQOGT-ZETCQYMHSA-N 1 3 235.278 0.179 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261929268 535481185 /nfs/dbraw/zinc/48/11/85/535481185.db2.gz YRZLHLMXRNVANT-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262824249 535493785 /nfs/dbraw/zinc/49/37/85/535493785.db2.gz PVESDRCXECQJCX-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261544808 535529393 /nfs/dbraw/zinc/52/93/93/535529393.db2.gz JCUPIYJYTFLKEQ-MWLCHTKSSA-N 1 3 213.325 0.357 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000252433434 535560131 /nfs/dbraw/zinc/56/01/31/535560131.db2.gz LSAZYPIATNNIAL-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000164367204 535577813 /nfs/dbraw/zinc/57/78/13/535577813.db2.gz UEPRILLIBJGIPC-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262652203 535760077 /nfs/dbraw/zinc/76/00/77/535760077.db2.gz VMGAZXYBWDHEFT-MDZLAQPJSA-N 1 3 239.363 0.857 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335939358 535942205 /nfs/dbraw/zinc/94/22/05/535942205.db2.gz FLAFIJACXINVNH-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335939358 535942210 /nfs/dbraw/zinc/94/22/10/535942210.db2.gz FLAFIJACXINVNH-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C)C[C@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346844096 535969407 /nfs/dbraw/zinc/96/94/07/535969407.db2.gz YTCCNBGUPKFKQZ-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO CN(CC[NH3+])C(=O)[C@H]1CNCc2ccccc21 ZINC000335402053 536367676 /nfs/dbraw/zinc/36/76/76/536367676.db2.gz YMHCDYBZDCRAAR-LBPRGKRZSA-N 1 3 233.315 0.291 20 0 BCADHO CN(CCNC(=O)[C@@H]1CCCCC[NH2+]1)C1CC1 ZINC000081001028 536384427 /nfs/dbraw/zinc/38/44/27/536384427.db2.gz YSZZOGVRZPJSNQ-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261540043 536391272 /nfs/dbraw/zinc/39/12/72/536391272.db2.gz DCOLRPRIGZQOBA-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)OC ZINC000227711670 536854478 /nfs/dbraw/zinc/85/44/78/536854478.db2.gz MVMGRKJPDCPJBB-QNWHQSFQSA-N 1 3 244.379 0.966 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000227711670 536854482 /nfs/dbraw/zinc/85/44/82/536854482.db2.gz MVMGRKJPDCPJBB-QNWHQSFQSA-N 1 3 244.379 0.966 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CCCCC[NH3+] ZINC000224044436 583182280 /nfs/dbraw/zinc/18/22/80/583182280.db2.gz ZNIQKAGSKARXSC-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)NC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000112800796 588817243 /nfs/dbraw/zinc/81/72/43/588817243.db2.gz KVSQNQOQAGPMDU-SNVBAGLBSA-N 1 3 212.341 0.993 20 0 BCADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC000855416014 588832134 /nfs/dbraw/zinc/83/21/34/588832134.db2.gz RWGLAQIALPSCIT-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891403219 582678489 /nfs/dbraw/zinc/67/84/89/582678489.db2.gz KEHSIRDJHFPOOX-OUAUKWLOSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCN(C)C1CC1 ZINC000891545052 582695569 /nfs/dbraw/zinc/69/55/69/582695569.db2.gz HQHNVAOXJCKVPF-VHSXEESVSA-N 1 3 240.351 0.212 20 0 BCADHO OCc1cnccc1NCC[NH+]1CCCCC1 ZINC000891838238 582728432 /nfs/dbraw/zinc/72/84/32/582728432.db2.gz ZDGBTSBISQAFAY-UHFFFAOYSA-N 1 3 235.331 0.894 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N1CCNCCC12CCC2 ZINC000892093115 582789126 /nfs/dbraw/zinc/78/91/26/582789126.db2.gz MSWSPEXRROTSJS-JTQLQIEISA-N 1 3 240.351 0.261 20 0 BCADHO C[NH+]1CCC(CNc2ccncc2CO)CC1 ZINC000892254542 582813937 /nfs/dbraw/zinc/81/39/37/582813937.db2.gz OYSKZOZAZMEJMD-UHFFFAOYSA-N 1 3 235.331 0.750 20 0 BCADHO CN1CCC[NH+]=C1NCCNC(C)(C)C ZINC000849006063 582822698 /nfs/dbraw/zinc/82/26/98/582822698.db2.gz PXFUVECRKTUHOU-UHFFFAOYSA-N 1 3 212.341 0.656 20 0 BCADHO Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)nc(N)[nH+]1 ZINC000135266878 582871545 /nfs/dbraw/zinc/87/15/45/582871545.db2.gz AQDFQBWLBXMOPC-AOOOYVTPSA-N 1 3 235.335 0.896 20 0 BCADHO CCN1CCCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857111671 588889425 /nfs/dbraw/zinc/88/94/25/588889425.db2.gz RIWYCVJNIAMULE-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N(C)CCN1CCCC1 ZINC000857112597 588889629 /nfs/dbraw/zinc/88/96/29/588889629.db2.gz GKUDZWDNEBDBES-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000877243173 583304816 /nfs/dbraw/zinc/30/48/16/583304816.db2.gz IIPSVHTVTUOLDL-CIUDSAMLSA-N 1 3 247.289 0.085 20 0 BCADHO CCO[C@H](CC[NH+](C)C)CNCc1c[nH]cn1 ZINC000894399002 583448777 /nfs/dbraw/zinc/44/87/77/583448777.db2.gz BWUVFENJTRGFTH-GFCCVEGCSA-N 1 3 240.351 0.856 20 0 BCADHO CNC(=O)CCCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880141445 583475376 /nfs/dbraw/zinc/47/53/76/583475376.db2.gz IMXODQIAWMGENI-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)CCCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880141445 583475377 /nfs/dbraw/zinc/47/53/77/583475377.db2.gz IMXODQIAWMGENI-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000894519228 583476947 /nfs/dbraw/zinc/47/69/47/583476947.db2.gz GHJKQKKKXCKXOI-GFCCVEGCSA-N 1 3 239.363 0.526 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000894519228 583476949 /nfs/dbraw/zinc/47/69/49/583476949.db2.gz GHJKQKKKXCKXOI-GFCCVEGCSA-N 1 3 239.363 0.526 20 0 BCADHO C[C@H](CC[NH2+]C1CCN(C=O)CC1)N(C)C ZINC000895427709 583668513 /nfs/dbraw/zinc/66/85/13/583668513.db2.gz DSGLTMQQCAOMHN-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC3CC3)CC[C@H]21 ZINC000870982262 583932930 /nfs/dbraw/zinc/93/29/30/583932930.db2.gz MDIJDXXCWBHZIH-ZYHUDNBSSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)CNC3CC3)CC[C@H]21 ZINC000870982262 583932932 /nfs/dbraw/zinc/93/29/32/583932932.db2.gz MDIJDXXCWBHZIH-ZYHUDNBSSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H](NC(=[NH2+])NCCNc1ccncc1)C1CC1 ZINC000899265201 584189727 /nfs/dbraw/zinc/18/97/27/584189727.db2.gz UIVQMRUBMQEEQQ-SNVBAGLBSA-N 1 3 247.346 0.828 20 0 BCADHO C[C@@H](NC(=[NH2+])NCCCN(C)C)C1CC1 ZINC000899263590 584191261 /nfs/dbraw/zinc/19/12/61/584191261.db2.gz DSEDSDZYYSTWDZ-SECBINFHSA-N 1 3 212.341 0.851 20 0 BCADHO OC1(c2ccc(C=C3C[NH2+]C3)cc2)CNC1 ZINC000899328588 584197945 /nfs/dbraw/zinc/19/79/45/584197945.db2.gz WCNYRYGTQWZEGN-UHFFFAOYSA-N 1 3 216.284 0.464 20 0 BCADHO C[NH+]1CCC2(CCN2CCC(N)=O)CC1 ZINC000899911672 584253403 /nfs/dbraw/zinc/25/34/03/584253403.db2.gz WHGFBYKFBOQDPB-UHFFFAOYSA-N 1 3 211.309 0.032 20 0 BCADHO CN1CCC2(CC[N@@H+]2CCC(N)=O)CC1 ZINC000899911672 584253404 /nfs/dbraw/zinc/25/34/04/584253404.db2.gz WHGFBYKFBOQDPB-UHFFFAOYSA-N 1 3 211.309 0.032 20 0 BCADHO CN1CCC2(CC[N@H+]2CCC(N)=O)CC1 ZINC000899911672 584253405 /nfs/dbraw/zinc/25/34/05/584253405.db2.gz WHGFBYKFBOQDPB-UHFFFAOYSA-N 1 3 211.309 0.032 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2COCCO2)C1 ZINC000902319399 584551597 /nfs/dbraw/zinc/55/15/97/584551597.db2.gz NCMQKQBHCFAKCD-NEPJUHHUSA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@@H](CCO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358320 584570463 /nfs/dbraw/zinc/57/04/63/584570463.db2.gz AHSCDBISGURVDX-VXGBXAGGSA-N 1 3 244.379 0.752 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358311 584570649 /nfs/dbraw/zinc/57/06/49/584570649.db2.gz AHSCDBISGURVDX-NEPJUHHUSA-N 1 3 244.379 0.752 20 0 BCADHO CC(C)(CN[C@H]1CC[NH2+]CC(C)(C)C1)C(N)=O ZINC000902364221 584573146 /nfs/dbraw/zinc/57/31/46/584573146.db2.gz PYGZMVUIIQZTLU-JTQLQIEISA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)(C[NH2+][C@H]1CCNCC(C)(C)C1)C(N)=O ZINC000902364221 584573148 /nfs/dbraw/zinc/57/31/48/584573148.db2.gz PYGZMVUIIQZTLU-JTQLQIEISA-N 1 3 241.379 0.866 20 0 BCADHO CN(C)C[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365345 584573352 /nfs/dbraw/zinc/57/33/52/584573352.db2.gz ZGRIWBZLOIEINE-RYUDHWBXSA-N 1 3 243.395 0.277 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383195 584576597 /nfs/dbraw/zinc/57/65/97/584576597.db2.gz CZCZNKOSSVGNSW-MNOVXSKESA-N 1 3 230.352 0.362 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2COCCN2)C1 ZINC000902397025 584585538 /nfs/dbraw/zinc/58/55/38/584585538.db2.gz LUVTUYHBMIRFBM-VXGBXAGGSA-N 1 3 241.379 0.343 20 0 BCADHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCON ZINC000902416651 584590235 /nfs/dbraw/zinc/59/02/35/584590235.db2.gz VOGXRMOUUIPTRT-VWYCJHECSA-N 1 3 227.352 0.633 20 0 BCADHO CC1(C)[C@@H](NCCCON)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902416651 584590236 /nfs/dbraw/zinc/59/02/36/584590236.db2.gz VOGXRMOUUIPTRT-VWYCJHECSA-N 1 3 227.352 0.633 20 0 BCADHO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902441589 584597945 /nfs/dbraw/zinc/59/79/45/584597945.db2.gz FEPYIVSFPCNKOL-VWYCJHECSA-N 1 3 212.337 0.999 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@@H](C)C[C@H](C)[NH3+] ZINC000902456218 584609896 /nfs/dbraw/zinc/60/98/96/584609896.db2.gz ODOCJKSWASNHHI-UKKRHICBSA-N 1 3 216.325 0.506 20 0 BCADHO Cn1nnnc1CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000902458011 584610165 /nfs/dbraw/zinc/61/01/65/584610165.db2.gz WRHIPGLKOZSIQC-UWVGGRQHSA-N 1 3 238.339 0.002 20 0 BCADHO Cn1nnnc1CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000902458011 584610166 /nfs/dbraw/zinc/61/01/66/584610166.db2.gz WRHIPGLKOZSIQC-UWVGGRQHSA-N 1 3 238.339 0.002 20 0 BCADHO Cn1nnnc1CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000902458015 584610204 /nfs/dbraw/zinc/61/02/04/584610204.db2.gz WRHIPGLKOZSIQC-ZJUUUORDSA-N 1 3 238.339 0.002 20 0 BCADHO Cn1nnnc1CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000902458015 584610205 /nfs/dbraw/zinc/61/02/05/584610205.db2.gz WRHIPGLKOZSIQC-ZJUUUORDSA-N 1 3 238.339 0.002 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466237 584613807 /nfs/dbraw/zinc/61/38/07/584613807.db2.gz KRVAHMLNPMXFBN-NAWOPXAZSA-N 1 3 239.363 0.236 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470823 584616772 /nfs/dbraw/zinc/61/67/72/584616772.db2.gz HGLIZGVUWGEIHH-YRASXDPISA-N 1 3 235.375 0.952 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000902512591 584623286 /nfs/dbraw/zinc/62/32/86/584623286.db2.gz ASWIYQCGVUDCSR-GARJFASQSA-N 1 3 216.325 0.114 20 0 BCADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cn(C)nn1 ZINC000903042983 584720601 /nfs/dbraw/zinc/72/06/01/584720601.db2.gz MRKMQUCJDUEIHI-GARJFASQSA-N 1 3 237.351 0.806 20 0 BCADHO CN(Cc1cn[nH]c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903444275 584769186 /nfs/dbraw/zinc/76/91/86/584769186.db2.gz RLLZWZVSESEZKP-KOLCDFICSA-N 1 3 208.309 0.969 20 0 BCADHO FC(F)[C@H]1CNCCN1C[C@H]1CCC[NH2+]1 ZINC000903451860 584771785 /nfs/dbraw/zinc/77/17/85/584771785.db2.gz FDPJBFUWATXUPC-RKDXNWHRSA-N 1 3 219.279 0.277 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCNC[C@@H]1C(F)F ZINC000903452634 584771855 /nfs/dbraw/zinc/77/18/55/584771855.db2.gz OTHGSQKPDSTUBH-KXUCPTDWSA-N 1 3 233.306 0.381 20 0 BCADHO Cn1ccnc1[C@H]1CNCCN1C[C@H]1CCC[NH2+]1 ZINC000903453090 584772504 /nfs/dbraw/zinc/77/25/04/584772504.db2.gz YXXACOMEHSWFJX-VXGBXAGGSA-N 1 3 249.362 0.118 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCNC[C@H]2C(F)F)C1 ZINC000903452856 584772594 /nfs/dbraw/zinc/77/25/94/584772594.db2.gz SXCPPNCQMGJUNA-AEJSXWLSSA-N 1 3 233.306 0.653 20 0 BCADHO COC(=O)C[C@H]1CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455340 584773835 /nfs/dbraw/zinc/77/38/35/584773835.db2.gz UPUZDBHZFNKGAI-GRYCIOLGSA-N 1 3 240.347 0.869 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)N(C)C[C@@H]1C ZINC000903455554 584774083 /nfs/dbraw/zinc/77/40/83/584774083.db2.gz ZTLUOGGIQYTYTJ-VOAKCMCISA-N 1 3 225.380 0.866 20 0 BCADHO COC[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903456691 584774236 /nfs/dbraw/zinc/77/42/36/584774236.db2.gz IXWFPKSULUJNRC-RNJOBUHISA-N 1 3 242.363 0.850 20 0 BCADHO CO[C@H]1COCC[C@H]1N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481809 584778185 /nfs/dbraw/zinc/77/81/85/584778185.db2.gz NKMGCWZDCUAFJH-XQHKEYJVSA-N 1 3 242.363 0.578 20 0 BCADHO C[C@@]1([C@H]2CCC[N@H+](CCCN)C2)COC(=O)N1 ZINC000903560813 584782405 /nfs/dbraw/zinc/78/24/05/584782405.db2.gz AUUFECPIKWUKEC-JQWIXIFHSA-N 1 3 241.335 0.546 20 0 BCADHO C[C@@]1([C@H]2CCC[N@@H+](CCCN)C2)COC(=O)N1 ZINC000903560813 584782406 /nfs/dbraw/zinc/78/24/06/584782406.db2.gz AUUFECPIKWUKEC-JQWIXIFHSA-N 1 3 241.335 0.546 20 0 BCADHO CC1(C)CN(C[C@H]2CCC3(CNC3)O2)C[C@H]1[NH3+] ZINC000903557318 584783311 /nfs/dbraw/zinc/78/33/11/584783311.db2.gz NORLXDQPGZVJNM-GHMZBOCLSA-N 1 3 239.363 0.177 20 0 BCADHO C[C@](C[NH3+])(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC1 ZINC000903716997 584792100 /nfs/dbraw/zinc/79/21/00/584792100.db2.gz GFDQACXZGWYVAS-LPTSXCQYSA-N 1 3 240.347 0.507 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@@](C)(C[NH3+])C1CC1 ZINC000903718098 584792663 /nfs/dbraw/zinc/79/26/63/584792663.db2.gz ZPUBNPHRBGZMMD-NDMJEZRESA-N 1 3 240.347 0.903 20 0 BCADHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000903729720 584792918 /nfs/dbraw/zinc/79/29/18/584792918.db2.gz RHFQPHXWUQSNFW-AVGNSLFASA-N 1 3 240.347 0.476 20 0 BCADHO COC[C@](C)(CCO)NC[C@H]1CCCC[NH2+]C1 ZINC000903732804 584793082 /nfs/dbraw/zinc/79/30/82/584793082.db2.gz HZNKKCFEJAIXHX-STQMWFEESA-N 1 3 244.379 0.753 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903763213 584797061 /nfs/dbraw/zinc/79/70/61/584797061.db2.gz INCXSWXBEPAWSJ-NZEXEKPDSA-N 1 3 240.347 0.650 20 0 BCADHO O[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903763004 584797206 /nfs/dbraw/zinc/79/72/06/584797206.db2.gz GORKFAZZJOEQJS-JHJVBQTASA-N 1 3 240.347 0.212 20 0 BCADHO CCN(CCC(=O)NC)C[C@@H]1CCCC[NH2+]C1 ZINC000903826924 584804959 /nfs/dbraw/zinc/80/49/59/584804959.db2.gz ODMSIGRBBOTECZ-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@H]1CCOCCN1CCOCC[NH3+] ZINC000903831924 584806047 /nfs/dbraw/zinc/80/60/47/584806047.db2.gz OHTYAQGZGBSDPE-JTQLQIEISA-N 1 3 202.298 0.073 20 0 BCADHO C[C@H]1CCOCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903833448 584806191 /nfs/dbraw/zinc/80/61/91/584806191.db2.gz WVOAHQBNXYJEFB-NWDGAFQWSA-N 1 3 240.347 0.618 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CC[C@H](O)[C@@H](F)C2)C1 ZINC000903838836 584807298 /nfs/dbraw/zinc/80/72/98/584807298.db2.gz FXDAFMNPMABEOO-VLEAKVRGSA-N 1 3 216.300 0.519 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903857001 584810447 /nfs/dbraw/zinc/81/04/47/584810447.db2.gz BTPALCMDNYTZPU-AAEUAGOBSA-N 1 3 234.347 0.776 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903857001 584810448 /nfs/dbraw/zinc/81/04/48/584810448.db2.gz BTPALCMDNYTZPU-AAEUAGOBSA-N 1 3 234.347 0.776 20 0 BCADHO C[C@]12CSC[C@H]1C[N@@H+]([C@H]1C[C@H](N)C[C@@H]1O)C2 ZINC000903870425 584814450 /nfs/dbraw/zinc/81/44/50/584814450.db2.gz GXCOHBNKXOCIKB-DGORSVRFSA-N 1 3 242.388 0.522 20 0 BCADHO C[C@]12CSC[C@H]1C[N@H+]([C@H]1C[C@H](N)C[C@@H]1O)C2 ZINC000903870425 584814451 /nfs/dbraw/zinc/81/44/51/584814451.db2.gz GXCOHBNKXOCIKB-DGORSVRFSA-N 1 3 242.388 0.522 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871527 584815304 /nfs/dbraw/zinc/81/53/04/584815304.db2.gz RAXGCSVZSKVUAZ-GRYCIOLGSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871527 584815306 /nfs/dbraw/zinc/81/53/06/584815306.db2.gz RAXGCSVZSKVUAZ-GRYCIOLGSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871527 584815308 /nfs/dbraw/zinc/81/53/08/584815308.db2.gz RAXGCSVZSKVUAZ-GRYCIOLGSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]CCCNC1(CC(N)=O)CCCCC1 ZINC000903874426 584815852 /nfs/dbraw/zinc/81/58/52/584815852.db2.gz ADRPRFJPRDXUSQ-UHFFFAOYSA-N 1 3 227.352 0.764 20 0 BCADHO CC[C@H]1C(=O)NCCCN1CC[C@H]1CC[NH2+]C1 ZINC000903882574 584818429 /nfs/dbraw/zinc/81/84/29/584818429.db2.gz OFNCKWUQBYERRL-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO N[C@H](CC(F)F)C[N@H+](CCCO)C1CC1 ZINC000903893756 584818780 /nfs/dbraw/zinc/81/87/80/584818780.db2.gz ZBGWRXYGNAVVKW-MRVPVSSYSA-N 1 3 222.279 0.816 20 0 BCADHO N[C@H](CC(F)F)C[N@@H+](CCCO)C1CC1 ZINC000903893756 584818782 /nfs/dbraw/zinc/81/87/82/584818782.db2.gz ZBGWRXYGNAVVKW-MRVPVSSYSA-N 1 3 222.279 0.816 20 0 BCADHO C[C@H](O)CC[N@H+](C)C[C@H](N)CC(F)F ZINC000903897018 584819937 /nfs/dbraw/zinc/81/99/37/584819937.db2.gz XUULQEGQHJCRRV-JGVFFNPUSA-N 1 3 210.268 0.672 20 0 BCADHO C[C@H](O)CC[N@@H+](C)C[C@H](N)CC(F)F ZINC000903897018 584819938 /nfs/dbraw/zinc/81/99/38/584819938.db2.gz XUULQEGQHJCRRV-JGVFFNPUSA-N 1 3 210.268 0.672 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@@H]([NH3+])CC(F)F ZINC000903923576 584823498 /nfs/dbraw/zinc/82/34/98/584823498.db2.gz XQLKIFGBAUEYQR-BDAKNGLRSA-N 1 3 232.278 0.844 20 0 BCADHO CC(=O)N1C[C@@H]2C[N@@H+](CC(C)(C)N)C[C@@H]2C1 ZINC000903940120 584828661 /nfs/dbraw/zinc/82/86/61/584828661.db2.gz XUBVIUGJAIYAQL-PHIMTYICSA-N 1 3 225.336 0.134 20 0 BCADHO CC(=O)N1C[C@@H]2C[N@H+](CC(C)(C)N)C[C@@H]2C1 ZINC000903940120 584828663 /nfs/dbraw/zinc/82/86/63/584828663.db2.gz XUBVIUGJAIYAQL-PHIMTYICSA-N 1 3 225.336 0.134 20 0 BCADHO Nc1ccnc(CNCC23CC(C2)C[NH2+]3)c1 ZINC000903953646 584831256 /nfs/dbraw/zinc/83/12/56/584831256.db2.gz IBOVQOYASRZBKO-UHFFFAOYSA-N 1 3 218.304 0.505 20 0 BCADHO C[C@@]1(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000903953389 584831452 /nfs/dbraw/zinc/83/14/52/584831452.db2.gz DWLFDSKMNVTPJT-QNWHQSFQSA-N 1 3 224.348 0.689 20 0 BCADHO C[C@H]1C[NH2+]C[C@@H](NCc2cc(N)ccn2)C1 ZINC000903953319 584831685 /nfs/dbraw/zinc/83/16/85/584831685.db2.gz CXOMEEKTLAHJJX-KOLCDFICSA-N 1 3 220.320 0.751 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cc[nH]n1 ZINC000903974457 584832678 /nfs/dbraw/zinc/83/26/78/584832678.db2.gz NQDJMKUYSBKZTP-NXEZZACHSA-N 1 3 208.309 0.745 20 0 BCADHO CCOC[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968450 584835171 /nfs/dbraw/zinc/83/51/71/584835171.db2.gz WOEXNCXVASPHIF-VWYCJHECSA-N 1 3 200.326 0.857 20 0 BCADHO CC[N@H+](CCC(N)=O)C[C@@H](N)CC(C)C ZINC000903987366 584835991 /nfs/dbraw/zinc/83/59/91/584835991.db2.gz DKFWNXCGZVIZJZ-JTQLQIEISA-N 1 3 215.341 0.557 20 0 BCADHO CC[N@@H+](CCC(N)=O)C[C@@H](N)CC(C)C ZINC000903987366 584835992 /nfs/dbraw/zinc/83/59/92/584835992.db2.gz DKFWNXCGZVIZJZ-JTQLQIEISA-N 1 3 215.341 0.557 20 0 BCADHO C[C@]1(CN2CC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904315878 584860376 /nfs/dbraw/zinc/86/03/76/584860376.db2.gz GAUVBINWOMSRLY-RYUDHWBXSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@]1(C[N@@H+]2CC[C@H](CO)C2)CCCNC1 ZINC000904315878 584860377 /nfs/dbraw/zinc/86/03/77/584860377.db2.gz GAUVBINWOMSRLY-RYUDHWBXSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@]1(C[N@H+]2CC[C@H](CO)C2)CCCNC1 ZINC000904315878 584860378 /nfs/dbraw/zinc/86/03/78/584860378.db2.gz GAUVBINWOMSRLY-RYUDHWBXSA-N 1 3 212.337 0.690 20 0 BCADHO CCN(CC)C(=O)CN(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904300977 584861230 /nfs/dbraw/zinc/86/12/30/584861230.db2.gz DCJQJMIONZEFOM-PHIMTYICSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@]1(CN2CCC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301534 584861523 /nfs/dbraw/zinc/86/15/23/584861523.db2.gz NCNOCUAILXARII-DGCLKSJQSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904301534 584861524 /nfs/dbraw/zinc/86/15/24/584861524.db2.gz NCNOCUAILXARII-DGCLKSJQSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C[N@H+]2CCC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904301534 584861526 /nfs/dbraw/zinc/86/15/26/584861526.db2.gz NCNOCUAILXARII-DGCLKSJQSA-N 1 3 239.363 0.573 20 0 BCADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000904301292 584861603 /nfs/dbraw/zinc/86/16/03/584861603.db2.gz DCQQMVXWMIQKTC-WDEREUQCSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000904301292 584861604 /nfs/dbraw/zinc/86/16/04/584861604.db2.gz DCQQMVXWMIQKTC-WDEREUQCSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@@]1(CN2CC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904302570 584861803 /nfs/dbraw/zinc/86/18/03/584861803.db2.gz YCGMEZBJGROJCD-CMPLNLGQSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C[N@@H+]2CC[C@H](C(N)=O)C2)CCCNC1 ZINC000904302570 584861804 /nfs/dbraw/zinc/86/18/04/584861804.db2.gz YCGMEZBJGROJCD-CMPLNLGQSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C[N@H+]2CC[C@H](C(N)=O)C2)CCCNC1 ZINC000904302570 584861805 /nfs/dbraw/zinc/86/18/05/584861805.db2.gz YCGMEZBJGROJCD-CMPLNLGQSA-N 1 3 225.336 0.183 20 0 BCADHO CN(CC(=O)NC(C)(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904305509 584862028 /nfs/dbraw/zinc/86/20/28/584862028.db2.gz PGLKWECPMSDVFG-AOOOYVTPSA-N 1 3 227.352 0.570 20 0 BCADHO CN(CC(=O)N1CCCC1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904306020 584862323 /nfs/dbraw/zinc/86/23/23/584862323.db2.gz YIDVMIVMBQVKEY-PHIMTYICSA-N 1 3 225.336 0.278 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)CC[C@H]3C2)C1 ZINC000904336904 584863158 /nfs/dbraw/zinc/86/31/58/584863158.db2.gz XXRCUDODJAVWSJ-AXFHLTTASA-N 1 3 223.320 0.030 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCOC[C@H]2C2CC2)C1 ZINC000904323732 584864546 /nfs/dbraw/zinc/86/45/46/584864546.db2.gz RIXWZCAPVHDTQP-WCQGTBRESA-N 1 3 210.321 0.835 20 0 BCADHO COCCC[N@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904346413 584868636 /nfs/dbraw/zinc/86/86/36/584868636.db2.gz UCLSQJKBRXWSHT-CYBMUJFWSA-N 1 3 244.379 0.707 20 0 BCADHO COCCC[N@@H+](CCO)C[C@]1(C)CCCNC1 ZINC000904346413 584868638 /nfs/dbraw/zinc/86/86/38/584868638.db2.gz UCLSQJKBRXWSHT-CYBMUJFWSA-N 1 3 244.379 0.707 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCNC[C@H]2c2ccncc2)C1 ZINC000904350129 584868875 /nfs/dbraw/zinc/86/88/75/584868875.db2.gz GOMBUTNNAFFGMY-YUTCNCBUSA-N 1 3 246.358 0.765 20 0 BCADHO Nc1ccc(CNCCC[C@@H]2CCC[NH2+]2)nn1 ZINC000904355536 584871324 /nfs/dbraw/zinc/87/13/24/584871324.db2.gz TYRLHKKFTZEYKY-SNVBAGLBSA-N 1 3 235.335 0.681 20 0 BCADHO C[C@@H](C[NH3+])NCc1ccc(N2CCNCC2)o1 ZINC000904355763 584871365 /nfs/dbraw/zinc/87/13/65/584871365.db2.gz RVTLOPBLDUTZGS-JTQLQIEISA-N 1 3 238.335 0.126 20 0 BCADHO COC1(C[NH+]2CCNCCNCC2)CCCC1 ZINC000904396936 584875624 /nfs/dbraw/zinc/87/56/24/584875624.db2.gz ZABZNQHUUNOTGV-UHFFFAOYSA-N 1 3 241.379 0.440 20 0 BCADHO COC[C@@]1(C)CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380802 584876934 /nfs/dbraw/zinc/87/69/34/584876934.db2.gz GZUOPGLGIODJCV-GRYCIOLGSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@@H]1CN(Cc2cnc(N)cn2)CC[C@H]1C[NH3+] ZINC000904409844 584878826 /nfs/dbraw/zinc/87/88/26/584878826.db2.gz JSIHHBJGDZLGKL-ZJUUUORDSA-N 1 3 235.335 0.476 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+]C1(C(N)=O)CCCC1 ZINC000767429130 585520072 /nfs/dbraw/zinc/52/00/72/585520072.db2.gz KTPKQHQEGDBCBW-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO OCC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803379 585600558 /nfs/dbraw/zinc/60/05/58/585600558.db2.gz ZRFUQVUGZZMZRD-QWHCGFSZSA-N 1 3 242.363 0.194 20 0 BCADHO C[C@@H](CCO)[NH2+]CCCN1CCCN(C)CC1 ZINC000779346423 585752151 /nfs/dbraw/zinc/75/21/51/585752151.db2.gz WNKLHWLSORAASX-ZDUSSCGKSA-N 1 3 243.395 0.375 20 0 BCADHO C[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327758 585921937 /nfs/dbraw/zinc/92/19/37/585921937.db2.gz RNQPHYPHRGVPAM-NWDGAFQWSA-N 1 3 235.331 0.973 20 0 BCADHO C[C@@H](CNC(=S)NCCN(C)C)C[NH+](C)C ZINC000793260958 586015460 /nfs/dbraw/zinc/01/54/60/586015460.db2.gz VMOJGBVBSRZNIU-JTQLQIEISA-N 1 3 246.424 0.210 20 0 BCADHO C[C@H](CCO)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799726201 586194568 /nfs/dbraw/zinc/19/45/68/586194568.db2.gz MISNSMZEROAJCF-GFCCVEGCSA-N 1 3 243.395 0.373 20 0 BCADHO C[C@@H](CN(C)C)NC(=S)NCCC[NH+](C)C ZINC000806590879 586415274 /nfs/dbraw/zinc/41/52/74/586415274.db2.gz JXYLPQXWBDEVLR-JTQLQIEISA-N 1 3 246.424 0.352 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(C)C1 ZINC000817890318 586831794 /nfs/dbraw/zinc/83/17/94/586831794.db2.gz RTRNBQWFCPFDKG-WOPDTQHZSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)C[C@H](O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000817906359 586837416 /nfs/dbraw/zinc/83/74/16/586837416.db2.gz YQEXRAIZUIPZJI-AXFHLTTASA-N 1 3 200.326 0.863 20 0 BCADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CNC1CC1 ZINC000818474220 586893511 /nfs/dbraw/zinc/89/35/11/586893511.db2.gz VCPZZXGJLCWYSE-CLYYMRHHSA-N 1 3 237.347 0.609 20 0 BCADHO NCc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000818532507 586898613 /nfs/dbraw/zinc/89/86/13/586898613.db2.gz NBLSOPYVHHZBIV-LBPRGKRZSA-N 1 3 247.342 0.875 20 0 BCADHO NCc1cccc(C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000818541638 586899117 /nfs/dbraw/zinc/89/91/17/586899117.db2.gz DGTYHAACYJMXAB-LBPRGKRZSA-N 1 3 233.315 0.627 20 0 BCADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818559105 586900733 /nfs/dbraw/zinc/90/07/33/586900733.db2.gz YJWZHLQKWVYKGW-OUAUKWLOSA-N 1 3 249.314 0.158 20 0 BCADHO NCc1cccc(C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000818579953 586902602 /nfs/dbraw/zinc/90/26/02/586902602.db2.gz YASOAJUWGTZHCG-UHFFFAOYSA-N 1 3 245.326 0.795 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818594579 586904467 /nfs/dbraw/zinc/90/44/67/586904467.db2.gz RGYKCUIBVXLTOV-CQSZACIVSA-N 1 3 247.342 0.956 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)CN1CCCC1 ZINC000822339629 587163410 /nfs/dbraw/zinc/16/34/10/587163410.db2.gz HXEKVRYROKCNHC-UHFFFAOYSA-N 1 3 241.379 0.882 20 0 BCADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC000823160765 587206281 /nfs/dbraw/zinc/20/62/81/587206281.db2.gz JLLYKACJLBPUKN-NEPJUHHUSA-N 1 3 239.363 0.633 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825558988 587325299 /nfs/dbraw/zinc/32/52/99/587325299.db2.gz WGVWWSSSXVJQON-KXNHARMFSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000831970284 587640310 /nfs/dbraw/zinc/64/03/10/587640310.db2.gz BPLTYITZRBQEEI-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C[NH2+]CC1CC1 ZINC000831971063 587640761 /nfs/dbraw/zinc/64/07/61/587640761.db2.gz QLBIFGLQJQDKQK-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832603865 587668609 /nfs/dbraw/zinc/66/86/09/587668609.db2.gz POPDKQVFQDTEDS-QMMMGPOBSA-N 1 3 223.276 0.310 20 0 BCADHO C[C@H]1CN(C(=O)c2cccc(CN)c2)CC[C@H]1[NH3+] ZINC000832737513 587681484 /nfs/dbraw/zinc/68/14/84/587681484.db2.gz XEPDNFDIZNGGQR-GXFFZTMASA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832829343 587692819 /nfs/dbraw/zinc/69/28/19/587692819.db2.gz QMOVPPXTJRDWFM-BMQDGWLCSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)c1cccc(CN)c1 ZINC000834341414 587751195 /nfs/dbraw/zinc/75/11/95/587751195.db2.gz UCWFSDMXIUXSQK-VIFPVBQESA-N 1 3 221.304 0.470 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000834582553 587760014 /nfs/dbraw/zinc/76/00/14/587760014.db2.gz SDAMUXYXMVTDTL-VHSXEESVSA-N 1 3 225.336 0.385 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000834608800 587760623 /nfs/dbraw/zinc/76/06/23/587760623.db2.gz SDSRFCAXZUHWHY-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000834791298 587767268 /nfs/dbraw/zinc/76/72/68/587767268.db2.gz GRLFLYUYLRFALL-ONGXEEELSA-N 1 3 237.347 0.385 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000834846068 587768605 /nfs/dbraw/zinc/76/86/05/587768605.db2.gz MRDVFXSONAYKIM-HTQZYQBOSA-N 1 3 247.289 0.098 20 0 BCADHO N[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848030 587977204 /nfs/dbraw/zinc/97/72/04/587977204.db2.gz QRLYAEBCOZGWPZ-STQMWFEESA-N 1 3 247.342 0.930 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841845691 587977271 /nfs/dbraw/zinc/97/72/71/587977271.db2.gz GDHLTXMXPXPDFP-KOLCDFICSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841850319 587978070 /nfs/dbraw/zinc/97/80/70/587978070.db2.gz KUJSYIGFPAEQIV-NGZCFLSTSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000841850423 587978245 /nfs/dbraw/zinc/97/82/45/587978245.db2.gz SQNCBINXAGDNGB-WDEREUQCSA-N 1 3 247.342 0.968 20 0 BCADHO CN(CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000842471859 588028815 /nfs/dbraw/zinc/02/88/15/588028815.db2.gz DJBUUVXTCRHWPN-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514559 588032257 /nfs/dbraw/zinc/03/22/57/588032257.db2.gz XZJQBSGBCPBACG-MWLCHTKSSA-N 1 3 211.309 0.078 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000843058934 588078101 /nfs/dbraw/zinc/07/81/01/588078101.db2.gz CKOUQXDLYNIWPI-SNVBAGLBSA-N 1 3 228.336 0.809 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000843058934 588078103 /nfs/dbraw/zinc/07/81/03/588078103.db2.gz CKOUQXDLYNIWPI-SNVBAGLBSA-N 1 3 228.336 0.809 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](N[C@@H]2CNCCC2(F)F)C1 ZINC000843125860 588081967 /nfs/dbraw/zinc/08/19/67/588081967.db2.gz JRILDDPKUQVXDB-IVZWLZJFSA-N 1 3 233.306 0.571 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCN1CCOC1=O ZINC000843356295 588103145 /nfs/dbraw/zinc/10/31/45/588103145.db2.gz TVGJNACOPNGINI-NSHDSACASA-N 1 3 229.324 0.402 20 0 BCADHO C[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000843455839 588111691 /nfs/dbraw/zinc/11/16/91/588111691.db2.gz WMIRVVQPLDWRBK-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO NC1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000843452890 588111829 /nfs/dbraw/zinc/11/18/29/588111829.db2.gz VABOULHPKOAZDT-UHFFFAOYSA-N 1 3 223.320 0.080 20 0 BCADHO C[C@H]1NCCN(C(=O)CCCCC[NH3+])[C@H]1C ZINC000843474352 588114161 /nfs/dbraw/zinc/11/41/61/588114161.db2.gz YNJHVAZWNGKGDW-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1(F)CC1 ZINC000843788998 588140408 /nfs/dbraw/zinc/14/04/08/588140408.db2.gz QZSWRTPKHAYVRF-UHFFFAOYSA-N 1 3 245.342 0.440 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000844170810 588171467 /nfs/dbraw/zinc/17/14/67/588171467.db2.gz DHHCTTZPHOKXNB-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000844170810 588171468 /nfs/dbraw/zinc/17/14/68/588171468.db2.gz DHHCTTZPHOKXNB-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844188677 588171618 /nfs/dbraw/zinc/17/16/18/588171618.db2.gz XSSSXSMPTLDNSP-ZYHUDNBSSA-N 1 3 243.326 0.146 20 0 BCADHO CCNCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000844178340 588172549 /nfs/dbraw/zinc/17/25/49/588172549.db2.gz PKSXADYSJWHLBZ-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000844178340 588172550 /nfs/dbraw/zinc/17/25/50/588172550.db2.gz PKSXADYSJWHLBZ-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CCN(CC)CC(=O)NCCCCCC[NH3+] ZINC000844201031 588173337 /nfs/dbraw/zinc/17/33/37/588173337.db2.gz LBJLLNDDPABPEC-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO CCNCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846696150 588283214 /nfs/dbraw/zinc/28/32/14/588283214.db2.gz XRZISAZNBAVSGE-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO O=C(NCCC1CC[NH2+]CC1)[C@@]1(F)CCNC1 ZINC000846700166 588283507 /nfs/dbraw/zinc/28/35/07/588283507.db2.gz QZSPMWYJDPCUOI-GFCCVEGCSA-N 1 3 243.326 0.194 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H](CCO)C1CC1 ZINC000846855323 588293278 /nfs/dbraw/zinc/29/32/78/588293278.db2.gz UQUGDBTVNRNNLC-VXGBXAGGSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CCO)C1CC1 ZINC000846855323 588293279 /nfs/dbraw/zinc/29/32/79/588293279.db2.gz UQUGDBTVNRNNLC-VXGBXAGGSA-N 1 3 230.352 0.050 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848431847 588384080 /nfs/dbraw/zinc/38/40/80/588384080.db2.gz PKPHDAIEOOYUKA-FOGDFJRCSA-N 1 3 239.363 0.583 20 0 BCADHO CCNCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848432202 588384168 /nfs/dbraw/zinc/38/41/68/588384168.db2.gz VHCLNEBBXOHVDM-AOOOYVTPSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848438402 588385001 /nfs/dbraw/zinc/38/50/01/588385001.db2.gz SOEKZAFZKLRXAM-CAHLUQPWSA-N 1 3 239.241 0.133 20 0 BCADHO CCS(=O)(=O)CC[NH2+]C[C@H]1C[C@@H](N(C)C)C1 ZINC000848676970 588405181 /nfs/dbraw/zinc/40/51/81/588405181.db2.gz XRKYDDLYINUTQK-PHIMTYICSA-N 1 3 248.392 0.351 20 0 BCADHO CC1(CN[C@H]2CCC[C@H]([NH3+])C2)OCCCO1 ZINC000848722139 588408598 /nfs/dbraw/zinc/40/85/98/588408598.db2.gz KDYRCZKJVQBTLD-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722355 588408698 /nfs/dbraw/zinc/40/86/98/588408698.db2.gz SLGNIPOBDFQHAK-NGZCFLSTSA-N 1 3 241.335 0.685 20 0 BCADHO C[C@@H]1CN(C(=[NH2+])NCCCN(C)C)CCO1 ZINC000848980349 588423083 /nfs/dbraw/zinc/42/30/83/588423083.db2.gz CURURELPJJELQL-SNVBAGLBSA-N 1 3 228.340 0.183 20 0 BCADHO CCNC(=[NH2+])NC[C@@H](CC)N1CCCC1 ZINC000848986447 588425572 /nfs/dbraw/zinc/42/55/72/588425572.db2.gz SEPJYNIDRPXQAL-SNVBAGLBSA-N 1 3 212.341 0.995 20 0 BCADHO CCNC(=[NH2+])NC[C@H](CC)N1CCCC1 ZINC000848986446 588425641 /nfs/dbraw/zinc/42/56/41/588425641.db2.gz SEPJYNIDRPXQAL-JTQLQIEISA-N 1 3 212.341 0.995 20 0 BCADHO CC(C)NC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987855 588426187 /nfs/dbraw/zinc/42/61/87/588426187.db2.gz ISLNUQXVCXMPTR-UHFFFAOYSA-N 1 3 242.367 0.356 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])NC1CCC1 ZINC000848993183 588427786 /nfs/dbraw/zinc/42/77/86/588427786.db2.gz FOBYAOBWYZUVEJ-UHFFFAOYSA-N 1 3 242.367 0.621 20 0 BCADHO CN1CCC[NH+]=C1NCCNc1ccncc1 ZINC000848995240 588428522 /nfs/dbraw/zinc/42/85/22/588428522.db2.gz LJDPWICDVQNHSH-UHFFFAOYSA-N 1 3 233.319 0.197 20 0 BCADHO CC(C)(C)NC(=[NH2+])NCCNc1ccncc1 ZINC000848995182 588428795 /nfs/dbraw/zinc/42/87/95/588428795.db2.gz CEFYQLONEPXPIG-UHFFFAOYSA-N 1 3 235.335 0.828 20 0 BCADHO CCCNC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004586 588431785 /nfs/dbraw/zinc/43/17/85/588431785.db2.gz QBNPXVYTPNBLCN-SNVBAGLBSA-N 1 3 212.341 0.852 20 0 BCADHO COCCNC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004320 588431879 /nfs/dbraw/zinc/43/18/79/588431879.db2.gz MNRYEQSXIPTGOP-JTQLQIEISA-N 1 3 228.340 0.089 20 0 BCADHO CN(C)CCN(C)CCCNC(=[NH2+])NC1CC1 ZINC000849028123 588441613 /nfs/dbraw/zinc/44/16/13/588441613.db2.gz FOHNEMPWGBVKAL-UHFFFAOYSA-N 1 3 241.383 0.146 20 0 BCADHO C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)CN(C)C ZINC000849030823 588442699 /nfs/dbraw/zinc/44/26/99/588442699.db2.gz YEWQQFVSWBTXGE-WDEREUQCSA-N 1 3 242.367 0.429 20 0 BCADHO CC(C)(C)NCCNC1=[NH+]CCCCN1 ZINC000849215981 588462247 /nfs/dbraw/zinc/46/22/47/588462247.db2.gz NUXCFFLGMGQGHH-UHFFFAOYSA-N 1 3 212.341 0.704 20 0 BCADHO CC(C)NCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000851630869 588612037 /nfs/dbraw/zinc/61/20/37/588612037.db2.gz MXEOWDIGNPSFDF-UHFFFAOYSA-N 1 3 249.358 0.802 20 0 BCADHO CC(C)NCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851634318 588612190 /nfs/dbraw/zinc/61/21/90/588612190.db2.gz CIUOKZQHDMYWHE-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@](C[NH3+])(NCCOC(F)F)C1CC1 ZINC000852740694 588698290 /nfs/dbraw/zinc/69/82/90/588698290.db2.gz JVOFBZYKJGFBLC-SECBINFHSA-N 1 3 208.252 0.943 20 0 BCADHO C([C@H]1CNCCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852747891 588699702 /nfs/dbraw/zinc/69/97/02/588699702.db2.gz ASBFQOPVVPJVJM-CHWSQXEVSA-N 1 3 239.363 0.050 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H]1NCC12CCCC2 ZINC000852824996 588706147 /nfs/dbraw/zinc/70/61/47/588706147.db2.gz FUHHXCGNIRIYOJ-SNVBAGLBSA-N 1 3 225.336 0.244 20 0 BCADHO N[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CC[C@H]1F ZINC000852869582 588709400 /nfs/dbraw/zinc/70/94/00/588709400.db2.gz IAOJCFTZWCRPQW-OPRDCNLKSA-N 1 3 229.299 0.012 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852870290 588709562 /nfs/dbraw/zinc/70/95/62/588709562.db2.gz RGTFAHFZMLJITG-SZEHBUNVSA-N 1 3 229.299 0.025 20 0 BCADHO NC[C@@H]1CC(C(=O)Nc2ccc(C[NH3+])cc2)=NO1 ZINC000852876488 588710361 /nfs/dbraw/zinc/71/03/61/588710361.db2.gz JQJJTVNFBBISGM-JTQLQIEISA-N 1 3 248.286 0.187 20 0 BCADHO C[C@H]1NCCN(C(=O)C=C2CC[NH2+]CC2)[C@H]1C ZINC000852878094 588710558 /nfs/dbraw/zinc/71/05/58/588710558.db2.gz HSZUUIMIZSXEMK-MNOVXSKESA-N 1 3 237.347 0.505 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000852878821 588710600 /nfs/dbraw/zinc/71/06/00/588710600.db2.gz PTEJYPIIQNJADK-QMMMGPOBSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)NCC(=O)NCCCCCC[NH3+] ZINC000852895100 588712002 /nfs/dbraw/zinc/71/20/02/588712002.db2.gz SBADKYWHQKFYJS-UHFFFAOYSA-N 1 3 215.341 0.620 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000861582478 589168920 /nfs/dbraw/zinc/16/89/20/589168920.db2.gz XDPYNZIYBGOGFP-ZJUUUORDSA-N 1 3 240.351 0.212 20 0 BCADHO CC(=O)NCCC[N@@H+](C)CCCN1CCCC1 ZINC000118966193 589224588 /nfs/dbraw/zinc/22/45/88/589224588.db2.gz VVHNGBKVOOGDDA-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CC(=O)NCCC[N@H+](C)CCCN1CCCC1 ZINC000118966193 589224590 /nfs/dbraw/zinc/22/45/90/589224590.db2.gz VVHNGBKVOOGDDA-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO Cc1ccc(CNCCOCCC[NH3+])cn1 ZINC000863484023 589292393 /nfs/dbraw/zinc/29/23/93/589292393.db2.gz GSKJPAKJMMZVLB-UHFFFAOYSA-N 1 3 223.320 0.845 20 0 BCADHO CCn1ncc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000863540866 589296537 /nfs/dbraw/zinc/29/65/37/589296537.db2.gz USVJZUYRLGEIAA-QJPTWQEYSA-N 1 3 249.362 0.776 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)N(C)C ZINC000863584812 589301584 /nfs/dbraw/zinc/30/15/84/589301584.db2.gz DWEWQYGYQMAUIB-RKDXNWHRSA-N 1 3 249.305 0.440 20 0 BCADHO C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)N1CCCC1 ZINC000864454309 589366199 /nfs/dbraw/zinc/36/61/99/589366199.db2.gz WKJLFLQIVSKUMW-GMTAPVOTSA-N 1 3 224.352 0.993 20 0 BCADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCCNc1ccncc1 ZINC000864455283 589366558 /nfs/dbraw/zinc/36/65/58/589366558.db2.gz LVHHTSUBTYEWMN-MWLCHTKSSA-N 1 3 233.319 0.438 20 0 BCADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000864462281 589369789 /nfs/dbraw/zinc/36/97/89/589369789.db2.gz LBMPQLMIDSSURE-MWLCHTKSSA-N 1 3 222.336 0.771 20 0 BCADHO C[C@H](CN)[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659907 589508334 /nfs/dbraw/zinc/50/83/34/589508334.db2.gz XMRSKUATUWCXHR-SNVBAGLBSA-N 1 3 235.331 0.607 20 0 BCADHO C[C@H](CN)[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659907 589508335 /nfs/dbraw/zinc/50/83/35/589508335.db2.gz XMRSKUATUWCXHR-SNVBAGLBSA-N 1 3 235.331 0.607 20 0 BCADHO NC(=O)c1ccc(CCN2CC[C@@H](C[NH3+])C2)cc1 ZINC000866659731 589508405 /nfs/dbraw/zinc/50/84/05/589508405.db2.gz SRHQIISFNQYQRD-LBPRGKRZSA-N 1 3 247.342 0.609 20 0 BCADHO O[C@@H]1CCN(CCCC2CC[NH2+]CC2)C[C@@H]1O ZINC000866702889 589513402 /nfs/dbraw/zinc/51/34/02/589513402.db2.gz ICKDREHIQAEXNE-OLZOCXBDSA-N 1 3 242.363 0.194 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CNCCO3)CC[C@@H]21 ZINC000866704747 589513715 /nfs/dbraw/zinc/51/37/15/589513715.db2.gz XKZFLEQCCMCGMT-AGIUHOORSA-N 1 3 239.363 0.001 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CNCCO3)CC[C@@H]21 ZINC000866704747 589513716 /nfs/dbraw/zinc/51/37/16/589513716.db2.gz XKZFLEQCCMCGMT-AGIUHOORSA-N 1 3 239.363 0.001 20 0 BCADHO CC(C)(N)C(=O)Nc1cc(F)cc(C[NH3+])c1 ZINC000868069575 589547778 /nfs/dbraw/zinc/54/77/78/589547778.db2.gz PAPZPBSOFDWJFD-UHFFFAOYSA-N 1 3 225.267 0.960 20 0 BCADHO C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)[C@@H](C)CN1 ZINC000870912534 589696747 /nfs/dbraw/zinc/69/67/47/589696747.db2.gz HIHZWZNYDQYLCI-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)N(C)C ZINC000870921094 589697217 /nfs/dbraw/zinc/69/72/17/589697217.db2.gz LSWJDLNXASQXCD-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000870928964 589697641 /nfs/dbraw/zinc/69/76/41/589697641.db2.gz NICAIGMHNQUEJZ-KXUCPTDWSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000870928953 589697858 /nfs/dbraw/zinc/69/78/58/589697858.db2.gz NICAIGMHNQUEJZ-BBBLOLIVSA-N 1 3 225.336 0.465 20 0 BCADHO CC1(C)CN(C(=O)CC[NH2+]CC2CC2)CCN1 ZINC000870944468 589700049 /nfs/dbraw/zinc/70/00/49/589700049.db2.gz BSCJLPRQZIRWJM-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N(C)C ZINC000870965223 589702127 /nfs/dbraw/zinc/70/21/27/589702127.db2.gz LLBBQCLAGSDOFF-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964463 589702194 /nfs/dbraw/zinc/70/21/94/589702194.db2.gz FMMRSASCPHBCFV-XQQFMLRXSA-N 1 3 247.342 0.410 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968739 589702741 /nfs/dbraw/zinc/70/27/41/589702741.db2.gz CGBHZDHKDVFRCB-AEJSXWLSSA-N 1 3 213.325 0.213 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968747 589702914 /nfs/dbraw/zinc/70/29/14/589702914.db2.gz CRQVXSPZKYBFAV-WCABBAIRSA-N 1 3 213.325 0.357 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)CNC3CC3)CC[C@@H]21 ZINC000870982260 589705180 /nfs/dbraw/zinc/70/51/80/589705180.db2.gz MDIJDXXCWBHZIH-PWSUYJOCSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)CNC3CC3)CC[C@@H]21 ZINC000870982260 589705182 /nfs/dbraw/zinc/70/51/82/589705182.db2.gz MDIJDXXCWBHZIH-PWSUYJOCSA-N 1 3 237.347 0.291 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983920 589705453 /nfs/dbraw/zinc/70/54/53/589705453.db2.gz CZIBHQLFONZMNQ-SCZZXKLOSA-N 1 3 213.325 0.228 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870985864 589706168 /nfs/dbraw/zinc/70/61/68/589706168.db2.gz FARGRIZKSHPVLB-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991646 589708118 /nfs/dbraw/zinc/70/81/18/589708118.db2.gz FXQDZWDVTIXCES-BXKDBHETSA-N 1 3 227.352 0.557 20 0 BCADHO CN(C(=O)C[C@H]([NH3+])C1CC1)C1CCN(C)CC1 ZINC000123525721 589747093 /nfs/dbraw/zinc/74/70/93/589747093.db2.gz AMTLBLZAINBJRR-LBPRGKRZSA-N 1 3 239.363 0.666 20 0 BCADHO CC(=O)C1CCN(CCOCC[NH3+])CC1 ZINC000872146708 589885102 /nfs/dbraw/zinc/88/51/02/589885102.db2.gz VRIWURDIDGNEIB-UHFFFAOYSA-N 1 3 214.309 0.263 20 0 BCADHO CC1(C)CCNCCN1C(=O)C1CC[NH2+]CC1 ZINC000872289711 589906391 /nfs/dbraw/zinc/90/63/91/589906391.db2.gz AFVGQSHHNSBODJ-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCCC1(C)C ZINC000872297437 589907912 /nfs/dbraw/zinc/90/79/12/589907912.db2.gz PDJGMEJMTQZXRV-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)CCNCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000872301849 589908201 /nfs/dbraw/zinc/90/82/01/589908201.db2.gz WKXXGTIYIHKBSI-LLVKDONJSA-N 1 3 237.347 0.634 20 0 BCADHO CN(Cc1cnc(N)cn1)C1CCC([NH3+])CC1 ZINC000873202128 589992621 /nfs/dbraw/zinc/99/26/21/589992621.db2.gz ULSDUTYSQOQBDW-UHFFFAOYSA-N 1 3 235.335 0.761 20 0 BCADHO FC(F)[C@@H]1CNCCN1CC12CC(C1)C[NH2+]2 ZINC000873210570 589993928 /nfs/dbraw/zinc/99/39/28/589993928.db2.gz KGHWJGOXOZGKRH-YUCVTWSNSA-N 1 3 231.290 0.277 20 0 BCADHO C[C@H](CCCC[NH3+])NCc1cnc(N)cn1 ZINC000873212196 589995767 /nfs/dbraw/zinc/99/57/67/589995767.db2.gz JSYIRIQXOHWYGQ-SECBINFHSA-N 1 3 223.324 0.666 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245984 590006257 /nfs/dbraw/zinc/00/62/57/590006257.db2.gz QVJGULSJBWXKCF-GHMZBOCLSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873252210 590009138 /nfs/dbraw/zinc/00/91/38/590009138.db2.gz QDGQQLBMDGPWCB-BBBLOLIVSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000873257117 590011408 /nfs/dbraw/zinc/01/14/08/590011408.db2.gz RUTJDJAPTXAAPI-OPRDCNLKSA-N 1 3 208.309 0.808 20 0 BCADHO CN(C(=O)CN1CCCC1)C1CC[NH+](C)CC1 ZINC000873724977 590068813 /nfs/dbraw/zinc/06/88/13/590068813.db2.gz XGKAVNURHJEPQQ-UHFFFAOYSA-N 1 3 239.363 0.635 20 0 BCADHO CN1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000874432736 590110503 /nfs/dbraw/zinc/11/05/03/590110503.db2.gz QJEHXOBDKXXSQK-AOOOYVTPSA-N 1 3 240.351 0.117 20 0 BCADHO CN(CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876735306 590234272 /nfs/dbraw/zinc/23/42/72/590234272.db2.gz CZYYDBOKYANIHU-QWRGUYRKSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1)N(C)C ZINC000876735524 590234293 /nfs/dbraw/zinc/23/42/93/590234293.db2.gz PCKXTTNMXPVDRL-PBWNMSGQSA-N 1 3 239.363 0.609 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876732666 590234405 /nfs/dbraw/zinc/23/44/05/590234405.db2.gz CGNIGQKYXLSANW-MXWKQRLJSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)N(C)C ZINC000876735523 590234683 /nfs/dbraw/zinc/23/46/83/590234683.db2.gz PCKXTTNMXPVDRL-JIVBQCDMSA-N 1 3 239.363 0.609 20 0 BCADHO CN(CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)C1CC1 ZINC000876735305 590234686 /nfs/dbraw/zinc/23/46/86/590234686.db2.gz CZYYDBOKYANIHU-MNOVXSKESA-N 1 3 239.363 0.570 20 0 BCADHO CN(CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876735307 590234689 /nfs/dbraw/zinc/23/46/89/590234689.db2.gz CZYYDBOKYANIHU-WDEREUQCSA-N 1 3 239.363 0.570 20 0 BCADHO CN(CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876737457 590235126 /nfs/dbraw/zinc/23/51/26/590235126.db2.gz QWADFSUOYIZTLG-MWLCHTKSSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C)CN1 ZINC000876796792 590242528 /nfs/dbraw/zinc/24/25/28/590242528.db2.gz JDLLUUBAMZISJY-CHWFTXMASA-N 1 3 239.363 0.569 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1C ZINC000876831001 590247288 /nfs/dbraw/zinc/24/72/88/590247288.db2.gz BYEQODHXNKXILT-WRWGMCAJSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1C ZINC000876831768 590247657 /nfs/dbraw/zinc/24/76/57/590247657.db2.gz JUBGRIBHRUTKGO-XGEHTFHBSA-N 1 3 247.289 0.035 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000876831576 590247670 /nfs/dbraw/zinc/24/76/70/590247670.db2.gz HKAAWFWNKRBHID-XWLWVQCSSA-N 1 3 243.326 0.143 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000876956280 590260796 /nfs/dbraw/zinc/26/07/96/590260796.db2.gz ITFKJRIRYUYEON-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000876956281 590261071 /nfs/dbraw/zinc/26/10/71/590261071.db2.gz ITFKJRIRYUYEON-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876978704 590264283 /nfs/dbraw/zinc/26/42/83/590264283.db2.gz NYEBSEOMEPQIFH-KYXWUPHJSA-N 1 3 243.326 0.258 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877005290 590267784 /nfs/dbraw/zinc/26/77/84/590267784.db2.gz QYPWAFBZCKZQCG-GXSJLCMTSA-N 1 3 237.347 0.528 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@]1(F)CCNC1 ZINC000877002457 590267921 /nfs/dbraw/zinc/26/79/21/590267921.db2.gz VHIFVHRNEYSHBZ-ONGXEEELSA-N 1 3 241.310 0.089 20 0 BCADHO CCN(CC[NH3+])C(=O)C1CCN(C2CC2)CC1 ZINC000877006067 590268474 /nfs/dbraw/zinc/26/84/74/590268474.db2.gz GDFGGZKPHXXVAB-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000877102215 590283269 /nfs/dbraw/zinc/28/32/69/590283269.db2.gz BYNHNBNECDSNFL-SFYZADRCSA-N 1 3 235.278 0.037 20 0 BCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH3+])N(CC)CC ZINC000877102167 590283402 /nfs/dbraw/zinc/28/34/02/590283402.db2.gz ASFKNQIASHCBKW-QWRGUYRKSA-N 1 3 229.368 0.912 20 0 BCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH3+])N(CC)CC ZINC000877102168 590283457 /nfs/dbraw/zinc/28/34/57/590283457.db2.gz ASFKNQIASHCBKW-WDEREUQCSA-N 1 3 229.368 0.912 20 0 BCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH3+])N(C)C ZINC000877104355 590284027 /nfs/dbraw/zinc/28/40/27/590284027.db2.gz ANAXTRLUOFWACT-RKDXNWHRSA-N 1 3 201.314 0.132 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877126409 590289929 /nfs/dbraw/zinc/28/99/29/590289929.db2.gz JYTCGFGTMUGHAL-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877126410 590290084 /nfs/dbraw/zinc/29/00/84/590290084.db2.gz JYTCGFGTMUGHAL-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158036 590293770 /nfs/dbraw/zinc/29/37/70/590293770.db2.gz OSTBELYGJIBRFI-SECBINFHSA-N 1 3 227.352 0.618 20 0 BCADHO N[C@H](C(=O)N1C2CCC1(C[NH3+])CC2)C1CCC1 ZINC000877185494 590298473 /nfs/dbraw/zinc/29/84/73/590298473.db2.gz CDOIQHIBEUSVGV-AKJDGMEZSA-N 1 3 237.347 0.596 20 0 BCADHO [NH3+]CC1(NC(=O)[C@]2(F)CCNC2)CCCCC1 ZINC000877205947 590301004 /nfs/dbraw/zinc/30/10/04/590301004.db2.gz YZHTZJPVMWMEML-LBPRGKRZSA-N 1 3 243.326 0.466 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242062 590302163 /nfs/dbraw/zinc/30/21/63/590302163.db2.gz BCRVTOFYMRDMKI-OUAUKWLOSA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+][C@H]1C[C@H](CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000877243163 590302485 /nfs/dbraw/zinc/30/24/85/590302485.db2.gz HXPJOFYQEMRGPS-MGCOHNPYSA-N 1 3 237.347 0.515 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC000877244764 590302936 /nfs/dbraw/zinc/30/29/36/590302936.db2.gz NSRRKILKNZAZMS-DTORHVGOSA-N 1 3 211.309 0.111 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243675 590303139 /nfs/dbraw/zinc/30/31/39/590303139.db2.gz RPXXKUQKCZMREM-IMSYWVGJSA-N 1 3 213.325 0.213 20 0 BCADHO CCNCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877259543 590304286 /nfs/dbraw/zinc/30/42/86/590304286.db2.gz GWXKIYWRULQLOM-ZDUSSCGKSA-N 1 3 241.379 0.819 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000877253158 590304388 /nfs/dbraw/zinc/30/43/88/590304388.db2.gz MIPGHIAZEJOFIE-PWSUYJOCSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877342828 590317566 /nfs/dbraw/zinc/31/75/66/590317566.db2.gz FWWKABKVOPGZFB-GWCFXTLKSA-N 1 3 247.342 0.412 20 0 BCADHO CC(C)([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346287 590318940 /nfs/dbraw/zinc/31/89/40/590318940.db2.gz AMXVPAIHBXXGGQ-LBPRGKRZSA-N 1 3 247.342 0.554 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393152 590322064 /nfs/dbraw/zinc/32/20/64/590322064.db2.gz WDASVUHAHSVEIA-OPQQBVKSSA-N 1 3 237.347 0.385 20 0 BCADHO CC[C@@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390727 590322499 /nfs/dbraw/zinc/32/24/99/590322499.db2.gz LVNOLGBWUGXOLR-YWVKMMECSA-N 1 3 211.309 0.125 20 0 BCADHO CCCN(C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391045 590322515 /nfs/dbraw/zinc/32/25/15/590322515.db2.gz MAMONKIYHVSBKF-DGCLKSJQSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877444480 590328728 /nfs/dbraw/zinc/32/87/28/590328728.db2.gz MEEKJEQZHKBEDA-SECBINFHSA-N 1 3 201.314 0.311 20 0 BCADHO CC(C)[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877444484 590329077 /nfs/dbraw/zinc/32/90/77/590329077.db2.gz MIXWFXPUVHWXEQ-NSHDSACASA-N 1 3 229.368 0.947 20 0 BCADHO CC(C)[C@H](O)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000877982256 590464982 /nfs/dbraw/zinc/46/49/82/590464982.db2.gz NEGAGYFCRZZZCE-IJLUTSLNSA-N 1 3 212.337 0.545 20 0 BCADHO CC(C)[C@@H](O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982258 590465026 /nfs/dbraw/zinc/46/50/26/590465026.db2.gz NEGAGYFCRZZZCE-TUAOUCFPSA-N 1 3 212.337 0.545 20 0 BCADHO CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879573769 590811744 /nfs/dbraw/zinc/81/17/44/590811744.db2.gz RCUJKGZVFOUZPS-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879573769 590811746 /nfs/dbraw/zinc/81/17/46/590811746.db2.gz RCUJKGZVFOUZPS-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879578613 590817353 /nfs/dbraw/zinc/81/73/53/590817353.db2.gz FYWJXZWLSLLNNK-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879578613 590817356 /nfs/dbraw/zinc/81/73/56/590817356.db2.gz FYWJXZWLSLLNNK-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1)OC ZINC000879581339 590820568 /nfs/dbraw/zinc/82/05/68/590820568.db2.gz YRCFIYBGUNBIJN-AVGNSLFASA-N 1 3 242.363 0.674 20 0 BCADHO COC[C@H](C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1)OC ZINC000879581339 590820569 /nfs/dbraw/zinc/82/05/69/590820569.db2.gz YRCFIYBGUNBIJN-AVGNSLFASA-N 1 3 242.363 0.674 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)N(C)C ZINC000129810120 591410207 /nfs/dbraw/zinc/41/02/07/591410207.db2.gz MCYJLZZKCRLZAU-WPRPVWTQSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)CN1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883421969 591656997 /nfs/dbraw/zinc/65/69/97/591656997.db2.gz AVNPBGQXMBMXJI-STQMWFEESA-N 1 3 243.370 0.960 20 0 BCADHO N[C@@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CC[C@H]1F ZINC000883436022 591665229 /nfs/dbraw/zinc/66/52/29/591665229.db2.gz ISNGJNODVQOATB-AXTSPUMRSA-N 1 3 219.279 0.058 20 0 BCADHO C[NH2+]C[C@H]1CCCCN1C[C@H]1CNCCO1 ZINC000883450283 591671636 /nfs/dbraw/zinc/67/16/36/591671636.db2.gz IBCBIUTVRZZHKL-VXGBXAGGSA-N 1 3 227.352 0.049 20 0 BCADHO CN(C[C@@H]1CNCCO1)C1(C[NH3+])CCCCC1 ZINC000883455180 591672990 /nfs/dbraw/zinc/67/29/90/591672990.db2.gz WDDZIQUEOBFHKP-LBPRGKRZSA-N 1 3 241.379 0.568 20 0 BCADHO C[C@H](NC(=O)[C@H](N)CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000884019409 591801365 /nfs/dbraw/zinc/80/13/65/591801365.db2.gz SLEWWYWVIGUMLP-MVWJERBFSA-N 1 3 239.363 0.618 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000884030198 591813552 /nfs/dbraw/zinc/81/35/52/591813552.db2.gz JAXVNOXWCIJCAK-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884031813 591814921 /nfs/dbraw/zinc/81/49/21/591814921.db2.gz ZZWWZYMVOGHFMV-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884033687 591816319 /nfs/dbraw/zinc/81/63/19/591816319.db2.gz REIJDBFSHBIJOP-DLOVCJGASA-N 1 3 239.363 0.700 20 0 BCADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCNCC1(C)C ZINC000884037592 591818321 /nfs/dbraw/zinc/81/83/21/591818321.db2.gz GCLWMYFQCYOVBT-JTQLQIEISA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)C ZINC000884199158 591872851 /nfs/dbraw/zinc/87/28/51/591872851.db2.gz QWVYUYIHLDBFBR-MNOVXSKESA-N 1 3 229.368 0.687 20 0 BCADHO C[C@@]1(CNC(=O)[C@@H](N)CC2CC2)CCC[NH2+]C1 ZINC000884246966 591883120 /nfs/dbraw/zinc/88/31/20/591883120.db2.gz DTEFBMRANXLCBF-WCQYABFASA-N 1 3 239.363 0.620 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884372578 591918384 /nfs/dbraw/zinc/91/83/84/591918384.db2.gz PLRRPZHNTOPXSM-XKSSXDPKSA-N 1 3 213.325 0.356 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000884293479 591895465 /nfs/dbraw/zinc/89/54/65/591895465.db2.gz DHXQIHFVQGQLCC-IJLUTSLNSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884292232 591896131 /nfs/dbraw/zinc/89/61/31/591896131.db2.gz UCBIERMLFRFETM-MWLCHTKSSA-N 1 3 227.352 0.748 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000884296624 591896750 /nfs/dbraw/zinc/89/67/50/591896750.db2.gz BPEPKKOYKVFKFG-HTQZYQBOSA-N 1 3 235.278 0.213 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884296342 591896906 /nfs/dbraw/zinc/89/69/06/591896906.db2.gz VKHBUWPLUATVLT-WCBMZHEXSA-N 1 3 213.325 0.357 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884304431 591899547 /nfs/dbraw/zinc/89/95/47/591899547.db2.gz OPXWJKWQEUOTDE-NXEZZACHSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C[C@@H]1C[NH3+] ZINC000884341334 591906351 /nfs/dbraw/zinc/90/63/51/591906351.db2.gz WSAFQPHEDXRSFV-USWWRNFRSA-N 1 3 239.363 0.557 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000884347596 591908871 /nfs/dbraw/zinc/90/88/71/591908871.db2.gz YJKIVLCCHFBQCW-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000884358861 591912515 /nfs/dbraw/zinc/91/25/15/591912515.db2.gz ZNUCGPISUYEMDO-HBNTYKKESA-N 1 3 241.379 0.815 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363803 591916586 /nfs/dbraw/zinc/91/65/86/591916586.db2.gz JAPUJWFNDNPXNT-AXFHLTTASA-N 1 3 241.379 0.992 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)[C@H](C[NH3+])C1 ZINC000884411912 591928030 /nfs/dbraw/zinc/92/80/30/591928030.db2.gz CBYPNBCZKUFCMU-USWWRNFRSA-N 1 3 239.363 0.700 20 0 BCADHO O=C(CC[C@@H]1CC[NH2+]C1)NCCN1CCCC1 ZINC000134480510 591930098 /nfs/dbraw/zinc/93/00/98/591930098.db2.gz HOZQNUNZBOMQJO-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000884426879 591930685 /nfs/dbraw/zinc/93/06/85/591930685.db2.gz XOYSOYSLRPKGOL-NQBHXWOUSA-N 1 3 237.347 0.454 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884434410 591933282 /nfs/dbraw/zinc/93/32/82/591933282.db2.gz LEODFVVACWSVML-OUAUKWLOSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N(C)C ZINC000134528832 591935008 /nfs/dbraw/zinc/93/50/08/591935008.db2.gz MLOYHYFKXJPDNS-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449608 591937318 /nfs/dbraw/zinc/93/73/18/591937318.db2.gz JLTPPUSNBBFNAK-QWRGUYRKSA-N 1 3 243.351 0.080 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464482 591942130 /nfs/dbraw/zinc/94/21/30/591942130.db2.gz QTKABNYDNQCXSE-LLVKDONJSA-N 1 3 239.363 0.892 20 0 BCADHO C([C@@H]1C[C@@]12CCOC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885961392 592116131 /nfs/dbraw/zinc/11/61/31/592116131.db2.gz XBFJAIXCPDUXNU-QNWHQSFQSA-N 1 3 222.332 0.564 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)CCN1C ZINC000137448641 592183704 /nfs/dbraw/zinc/18/37/04/592183704.db2.gz KKQPPIOPTIUYRQ-USWWRNFRSA-N 1 3 239.363 0.713 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827132 592349919 /nfs/dbraw/zinc/34/99/19/592349919.db2.gz FHGVDZOGHXMAHV-QJPTWQEYSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886827132 592349923 /nfs/dbraw/zinc/34/99/23/592349923.db2.gz FHGVDZOGHXMAHV-QJPTWQEYSA-N 1 3 210.321 0.836 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828196 592351233 /nfs/dbraw/zinc/35/12/33/592351233.db2.gz ZABDFWCUDOHTHV-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886828196 592351239 /nfs/dbraw/zinc/35/12/39/592351239.db2.gz ZABDFWCUDOHTHV-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@H]2C[C@]23CCOC3)C1 ZINC000886828196 592351241 /nfs/dbraw/zinc/35/12/41/592351241.db2.gz ZABDFWCUDOHTHV-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1C[C@]12CCOC2 ZINC000886840328 592360392 /nfs/dbraw/zinc/36/03/92/592360392.db2.gz ZEXRCWRUUPSTOG-BJDJZHNGSA-N 1 3 210.321 0.835 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886840329 592361090 /nfs/dbraw/zinc/36/10/90/592361090.db2.gz ZEXRCWRUUPSTOG-FIQHERPVSA-N 1 3 210.321 0.835 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857939 592369996 /nfs/dbraw/zinc/36/99/96/592369996.db2.gz GLKDOPZHSGGVKC-AXFHLTTASA-N 1 3 230.377 0.252 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857939 592369999 /nfs/dbraw/zinc/36/99/99/592369999.db2.gz GLKDOPZHSGGVKC-AXFHLTTASA-N 1 3 230.377 0.252 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886857939 592370004 /nfs/dbraw/zinc/37/00/04/592370004.db2.gz GLKDOPZHSGGVKC-AXFHLTTASA-N 1 3 230.377 0.252 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859971 592371858 /nfs/dbraw/zinc/37/18/58/592371858.db2.gz MDDJTPFFENTYKB-XQQFMLRXSA-N 1 3 242.363 0.458 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859971 592371864 /nfs/dbraw/zinc/37/18/64/592371864.db2.gz MDDJTPFFENTYKB-XQQFMLRXSA-N 1 3 242.363 0.458 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@H]([C@H]2CCCO2)C1 ZINC000886859971 592371869 /nfs/dbraw/zinc/37/18/69/592371869.db2.gz MDDJTPFFENTYKB-XQQFMLRXSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCCO ZINC000887131080 592449177 /nfs/dbraw/zinc/44/91/77/592449177.db2.gz QQEJNOZRRQJHBX-GFCCVEGCSA-N 1 3 235.331 0.975 20 0 BCADHO C[C@@H]1CCN(CCNC(=[NH2+])NCC2CC2)C1 ZINC000887354304 592487404 /nfs/dbraw/zinc/48/74/04/592487404.db2.gz YNIXAYIJMUMQLV-SNVBAGLBSA-N 1 3 224.352 0.852 20 0 BCADHO C[C@@H]1OCC[C@]1(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000300423876 592512828 /nfs/dbraw/zinc/51/28/28/592512828.db2.gz XEMWWDNGBPQNLP-AVGNSLFASA-N 1 3 242.363 0.600 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@@H](N)CC2CC2)CC1 ZINC000302674571 592551621 /nfs/dbraw/zinc/55/16/21/592551621.db2.gz MYKRYEYYCSDUMT-LBPRGKRZSA-N 1 3 239.363 0.572 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000302695367 592552273 /nfs/dbraw/zinc/55/22/73/592552273.db2.gz UKKQJSQPUSYBQH-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000302695372 592552324 /nfs/dbraw/zinc/55/23/24/592552324.db2.gz UKKQJSQPUSYBQH-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000302716087 592553408 /nfs/dbraw/zinc/55/34/08/592553408.db2.gz ZIHBCIXEAHSLAX-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000302716087 592553409 /nfs/dbraw/zinc/55/34/09/592553409.db2.gz ZIHBCIXEAHSLAX-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO Cn1cnc(CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925702368 634378110 /nfs/dbraw/zinc/37/81/10/634378110.db2.gz BWGCDQJQPVYGPC-GHMZBOCLSA-N 1 3 249.362 0.607 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1N[C@H]1CNCCC1(F)F ZINC000925707604 634395392 /nfs/dbraw/zinc/39/53/92/634395392.db2.gz LXZMBKSKKMUAKH-BDAKNGLRSA-N 1 3 233.306 0.714 20 0 BCADHO C[NH2+]CCCN1CCCCC[C@H]1CO ZINC000124775725 634432376 /nfs/dbraw/zinc/43/23/76/634432376.db2.gz DGBLSRBJCWJEGF-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO CN1CCC[C@H]1CN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716575 634449191 /nfs/dbraw/zinc/44/91/91/634449191.db2.gz AJUJMBSUYJVSBI-SDDRHHMPSA-N 1 3 223.364 0.940 20 0 BCADHO CCC[C@@H](O)CCN[C@@H](C)C1C[NH2+]C1 ZINC000925857571 635549875 /nfs/dbraw/zinc/54/98/75/635549875.db2.gz MOEIVUVNLVJHGF-GXSJLCMTSA-N 1 3 200.326 0.735 20 0 BCADHO CN(C)C(=O)CN(C)CCCCCC[NH3+] ZINC000308941725 631744443 /nfs/dbraw/zinc/74/44/43/631744443.db2.gz VCAACWJKIWOYQU-UHFFFAOYSA-N 1 3 215.341 0.526 20 0 BCADHO CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022713235 631811080 /nfs/dbraw/zinc/81/10/80/631811080.db2.gz IMWYFKIDEAGHCO-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC)C1)N(C)C ZINC000972353744 631971376 /nfs/dbraw/zinc/97/13/76/631971376.db2.gz HTKLNAIDIIXUAZ-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC)C1)N(C)C ZINC000972353744 631971383 /nfs/dbraw/zinc/97/13/83/631971383.db2.gz HTKLNAIDIIXUAZ-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO CCN(CC[C@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919199 632012035 /nfs/dbraw/zinc/01/20/35/632012035.db2.gz MHGWBHNUEMSONU-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001023025156 632108681 /nfs/dbraw/zinc/10/86/81/632108681.db2.gz YAFIQSWETJBTSL-AOOOYVTPSA-N 1 3 236.319 0.517 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130139526 632439294 /nfs/dbraw/zinc/43/92/94/632439294.db2.gz MNCNNPRXMOZKPN-QJPTWQEYSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130139526 632439300 /nfs/dbraw/zinc/43/93/00/632439300.db2.gz MNCNNPRXMOZKPN-QJPTWQEYSA-N 1 3 241.379 0.959 20 0 BCADHO COCCNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000066245310 632861242 /nfs/dbraw/zinc/86/12/42/632861242.db2.gz RJLGCQMYIITDHA-JTQLQIEISA-N 1 3 228.340 0.021 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549489 632956095 /nfs/dbraw/zinc/95/60/95/632956095.db2.gz UFIQUWKVKVZHSI-ZRUFSTJUSA-N 1 3 240.351 0.116 20 0 BCADHO CN(C(=O)[C@@H](N)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000178601314 633127002 /nfs/dbraw/zinc/12/70/02/633127002.db2.gz LWJBZHWVZQTPOA-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO Cc1cc(NC[C@H](C)C[NH+](C)C)nc(N)n1 ZINC000309806396 633763643 /nfs/dbraw/zinc/76/36/43/633763643.db2.gz XRRXIOCBDXYYDG-QMMMGPOBSA-N 1 3 223.324 0.977 20 0 BCADHO Cc1nccn1CCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328511297 633777332 /nfs/dbraw/zinc/77/73/32/633777332.db2.gz BMKPUXVKGIWZTL-YHQUGGNUSA-N 1 3 246.358 0.778 20 0 BCADHO CN1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328570402 633779946 /nfs/dbraw/zinc/77/99/46/633779946.db2.gz ROQLVSUIIVTNCU-BSCCGWMCSA-N 1 3 235.375 0.667 20 0 BCADHO C(C1CC1)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000019933588 633804418 /nfs/dbraw/zinc/80/44/18/633804418.db2.gz BNSGZMQVILGTFU-CYBMUJFWSA-N 1 3 223.364 0.766 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1NCCN1CCCC1 ZINC000925509850 633848955 /nfs/dbraw/zinc/84/89/55/633848955.db2.gz RGFIMFQQVBZYBH-NSHDSACASA-N 1 3 211.353 0.812 20 0 BCADHO COC[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983010 634025099 /nfs/dbraw/zinc/02/50/99/634025099.db2.gz NLWVWGXHLGZBCF-CHWSQXEVSA-N 1 3 242.363 0.411 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925685139 634299753 /nfs/dbraw/zinc/29/97/53/634299753.db2.gz GMIMUFXLCGRTPU-NOOOWODRSA-N 1 3 242.363 0.896 20 0 BCADHO CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734586 634311640 /nfs/dbraw/zinc/31/16/40/634311640.db2.gz PYHLVKBDACWBHE-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@@H]1CN)CC2 ZINC000925893491 635620422 /nfs/dbraw/zinc/62/04/22/635620422.db2.gz OOUQPCUCZPKVNZ-GMTAPVOTSA-N 1 3 249.362 0.389 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C)CN1 ZINC000870912509 636382286 /nfs/dbraw/zinc/38/22/86/636382286.db2.gz GYQLYPYOHXQHKN-YFVNTRNASA-N 1 3 237.347 0.323 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000237540836 636503563 /nfs/dbraw/zinc/50/35/63/636503563.db2.gz NYJPONZHXAHPBW-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CC[NH2+]CCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000418316284 636541282 /nfs/dbraw/zinc/54/12/82/636541282.db2.gz JMCZHWQSBHGWJY-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987059403 636620732 /nfs/dbraw/zinc/62/07/32/636620732.db2.gz QPEADOSVJCNYPK-KOLCDFICSA-N 1 3 236.319 0.551 20 0 BCADHO CNC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000323014942 636888266 /nfs/dbraw/zinc/88/82/66/636888266.db2.gz IJFYXFYNIACYGG-YEJSDXFRSA-N 1 3 239.363 0.726 20 0 BCADHO CNC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000323014942 636888270 /nfs/dbraw/zinc/88/82/70/636888270.db2.gz IJFYXFYNIACYGG-YEJSDXFRSA-N 1 3 239.363 0.726 20 0 BCADHO CN1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CN)CCC1=O ZINC000089146597 636904475 /nfs/dbraw/zinc/90/44/75/636904475.db2.gz SWFMGFZMEUDIFH-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000089140045 636905029 /nfs/dbraw/zinc/90/50/29/636905029.db2.gz CGYHBPLYAIUEQA-RYUDHWBXSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)C(=O)NCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000089140045 636905030 /nfs/dbraw/zinc/90/50/30/636905030.db2.gz CGYHBPLYAIUEQA-RYUDHWBXSA-N 1 3 241.379 0.866 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CNCCO3)CC[C@@H]21 ZINC000866704762 636933704 /nfs/dbraw/zinc/93/37/04/636933704.db2.gz XKZFLEQCCMCGMT-UPJWGTAASA-N 1 3 239.363 0.001 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CNCCO3)CC[C@@H]21 ZINC000866704762 636933708 /nfs/dbraw/zinc/93/37/08/636933708.db2.gz XKZFLEQCCMCGMT-UPJWGTAASA-N 1 3 239.363 0.001 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CNCCO3)CC[C@H]21 ZINC000866704750 636933785 /nfs/dbraw/zinc/93/37/85/636933785.db2.gz XKZFLEQCCMCGMT-FRRDWIJNSA-N 1 3 239.363 0.001 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CNCCO3)CC[C@H]21 ZINC000866704750 636933789 /nfs/dbraw/zinc/93/37/89/636933789.db2.gz XKZFLEQCCMCGMT-FRRDWIJNSA-N 1 3 239.363 0.001 20 0 BCADHO CCO[C@H](CN[C@@H](COC)C1CC1)C[NH+](C)C ZINC000926961185 636973684 /nfs/dbraw/zinc/97/36/84/636973684.db2.gz IFRYEURYYCRWOI-OLZOCXBDSA-N 1 3 244.379 0.968 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NCC2(CO)COC2)C1 ZINC000902363478 637298308 /nfs/dbraw/zinc/29/83/08/637298308.db2.gz VKQWQIPFCSRJSY-NSHDSACASA-N 1 3 242.363 0.363 20 0 BCADHO N[C@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000903551322 637372354 /nfs/dbraw/zinc/37/23/54/637372354.db2.gz FHGVDZOGHXMAHV-WOPDTQHZSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000903551322 637372359 /nfs/dbraw/zinc/37/23/59/637372359.db2.gz FHGVDZOGHXMAHV-WOPDTQHZSA-N 1 3 210.321 0.836 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)C2(O)CCC2)CC1 ZINC000905026948 637574002 /nfs/dbraw/zinc/57/40/02/637574002.db2.gz OVIAYFJMKUBHOJ-LBPRGKRZSA-N 1 3 242.363 0.336 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)[C@H]1C ZINC001074885715 711444594 /nfs/dbraw/zinc/44/45/94/711444594.db2.gz SVKLKMHFMHJERS-SRVKXCTJSA-N 1 3 241.379 0.926 20 0 BCADHO C[N@H+](C[C@@H](O)CNCC[C@H](O)C1CC1)C1CC1 ZINC000905689492 637884165 /nfs/dbraw/zinc/88/41/65/637884165.db2.gz ARWXIABBWKRXAE-STQMWFEESA-N 1 3 242.363 0.192 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCC[C@H](O)C1CC1)C1CC1 ZINC000905689492 637884167 /nfs/dbraw/zinc/88/41/67/637884167.db2.gz ARWXIABBWKRXAE-STQMWFEESA-N 1 3 242.363 0.192 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000906086129 638045031 /nfs/dbraw/zinc/04/50/31/638045031.db2.gz XTPPGQIEJHNXPZ-SNVBAGLBSA-N 1 3 229.368 0.864 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000906092206 638047723 /nfs/dbraw/zinc/04/77/23/638047723.db2.gz UYIOECQVOJPVTM-QJPTWQEYSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000906092195 638048465 /nfs/dbraw/zinc/04/84/65/638048465.db2.gz UPIPMFDCNKRXJO-XHNCKOQMSA-N 1 3 201.314 0.212 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000906091388 638048968 /nfs/dbraw/zinc/04/89/68/638048968.db2.gz FBNOQJRCJYOQOT-HBNTYKKESA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000906091524 638049581 /nfs/dbraw/zinc/04/95/81/638049581.db2.gz IMEJNBYVFHPDPJ-OUAUKWLOSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000906091390 638049820 /nfs/dbraw/zinc/04/98/20/638049820.db2.gz FBNOQJRCJYOQOT-MXWKQRLJSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000906092311 638050682 /nfs/dbraw/zinc/05/06/82/638050682.db2.gz KURLBDPVAZLQPB-QJPTWQEYSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000906092265 638050999 /nfs/dbraw/zinc/05/09/99/638050999.db2.gz XPHQHITVLCMUMU-GRYCIOLGSA-N 1 3 241.379 0.803 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)N(C)C ZINC000908414512 638698806 /nfs/dbraw/zinc/69/88/06/638698806.db2.gz QARFTAWPPWQJPS-GRYCIOLGSA-N 1 3 241.379 0.878 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911671720 639696156 /nfs/dbraw/zinc/69/61/56/639696156.db2.gz AOCFJYVYLVUOSC-JQWIXIFHSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670369 639696762 /nfs/dbraw/zinc/69/67/62/639696762.db2.gz KNPLWYDEBWSCFV-ZYHUDNBSSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911773089 639795469 /nfs/dbraw/zinc/79/54/69/639795469.db2.gz AKIGAAKHYAYZSL-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833327 639845423 /nfs/dbraw/zinc/84/54/23/639845423.db2.gz KRVJWZFYDZWKED-VXGBXAGGSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911848979 639858500 /nfs/dbraw/zinc/85/85/00/639858500.db2.gz XUAUSAHAXTXLNX-HBNTYKKESA-N 1 3 237.347 0.337 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC000911848913 639858996 /nfs/dbraw/zinc/85/89/96/639858996.db2.gz WOJMIAYYKWOTJF-YTWAJWBKSA-N 1 3 237.347 0.180 20 0 BCADHO COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435177 640201851 /nfs/dbraw/zinc/20/18/51/640201851.db2.gz HYFFNHSSXXQHNW-SDDRHHMPSA-N 1 3 212.337 0.905 20 0 BCADHO COC[C@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435177 640201854 /nfs/dbraw/zinc/20/18/54/640201854.db2.gz HYFFNHSSXXQHNW-SDDRHHMPSA-N 1 3 212.337 0.905 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3COCCO3)C[C@@H]2C1 ZINC000931439290 640205730 /nfs/dbraw/zinc/20/57/30/640205730.db2.gz TYGIBDKUHILNQP-FRRDWIJNSA-N 1 3 240.347 0.285 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3COCCO3)C[C@@H]2C1 ZINC000931439290 640205732 /nfs/dbraw/zinc/20/57/32/640205732.db2.gz TYGIBDKUHILNQP-FRRDWIJNSA-N 1 3 240.347 0.285 20 0 BCADHO C[N@@H+]1C[C@@H]2CN(CCc3c[nH]nn3)C[C@]2(C)C1 ZINC000933734342 640759977 /nfs/dbraw/zinc/75/99/77/640759977.db2.gz QZWCRPFMVASCLY-PWSUYJOCSA-N 1 3 235.335 0.231 20 0 BCADHO C[N@H+]1C[C@@H]2CN(CCc3c[nH]nn3)C[C@]2(C)C1 ZINC000933734342 640759982 /nfs/dbraw/zinc/75/99/82/640759982.db2.gz QZWCRPFMVASCLY-PWSUYJOCSA-N 1 3 235.335 0.231 20 0 BCADHO CCOC[C@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000227212740 640821423 /nfs/dbraw/zinc/82/14/23/640821423.db2.gz ZYFJCQAREHTESE-GMTAPVOTSA-N 1 3 216.325 0.053 20 0 BCADHO CCN(CC)C(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227766148 640848157 /nfs/dbraw/zinc/84/81/57/640848157.db2.gz QXLOUGGVZAWNRX-RYUDHWBXSA-N 1 3 241.379 0.772 20 0 BCADHO CCNC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767855 640848196 /nfs/dbraw/zinc/84/81/96/640848196.db2.gz DKQZCWUTVYWOEY-UWVGGRQHSA-N 1 3 213.325 0.039 20 0 BCADHO CC(C)CNC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767138 640848202 /nfs/dbraw/zinc/84/82/02/640848202.db2.gz AANNFPAGAOUKDM-RYUDHWBXSA-N 1 3 241.379 0.675 20 0 BCADHO CC(C)NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227767665 640848217 /nfs/dbraw/zinc/84/82/17/640848217.db2.gz IHVIVCITQCQPPB-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CN1CCC[C@H]1CNC(=O)c1cccc(C[NH3+])c1 ZINC000230418626 641053605 /nfs/dbraw/zinc/05/36/05/641053605.db2.gz NKZSBJZSUTZHMI-ZDUSSCGKSA-N 1 3 247.342 0.969 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000130136912 641387633 /nfs/dbraw/zinc/38/76/33/641387633.db2.gz LOYYVRZOESWWCI-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153187003 641717947 /nfs/dbraw/zinc/71/79/47/641717947.db2.gz NSWYNXPHBZHRKT-GARJFASQSA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848474 641762252 /nfs/dbraw/zinc/76/22/52/641762252.db2.gz SJVWFSQPQMNIHD-ZDEQEGDKSA-N 1 3 242.363 0.144 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848474 641762255 /nfs/dbraw/zinc/76/22/55/641762255.db2.gz SJVWFSQPQMNIHD-ZDEQEGDKSA-N 1 3 242.363 0.144 20 0 BCADHO CN1CC[C@H](NC(=S)NCCC[NH+](C)C)C1 ZINC000919717432 642381119 /nfs/dbraw/zinc/38/11/19/642381119.db2.gz HFWXJLXJTWDYAH-JTQLQIEISA-N 1 3 244.408 0.106 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000068890906 642806740 /nfs/dbraw/zinc/80/67/40/642806740.db2.gz JRAGREYLGPEALV-GARJFASQSA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000068890906 642806743 /nfs/dbraw/zinc/80/67/43/642806743.db2.gz JRAGREYLGPEALV-GARJFASQSA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000068890888 642806421 /nfs/dbraw/zinc/80/64/21/642806421.db2.gz ITYHMKRSPRLNGQ-AXFHLTTASA-N 1 3 216.325 0.053 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968921971 642821072 /nfs/dbraw/zinc/82/10/72/642821072.db2.gz PNLQSZOKSSDTDR-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CCC[N@H+](C[C@H](O)COCC)C1CCNCC1 ZINC000069280006 642845702 /nfs/dbraw/zinc/84/57/02/642845702.db2.gz JOOIKUSYMJPLAH-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO CCC[N@@H+](C[C@H](O)COCC)C1CCNCC1 ZINC000069280006 642845707 /nfs/dbraw/zinc/84/57/07/642845707.db2.gz JOOIKUSYMJPLAH-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001018999529 643017298 /nfs/dbraw/zinc/01/72/98/643017298.db2.gz WMMPXVGSEMJLPO-RYUDHWBXSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)N(C)C ZINC001019032478 643018224 /nfs/dbraw/zinc/01/82/24/643018224.db2.gz ZDTZLPSZFGUMAL-WDEREUQCSA-N 1 3 245.342 0.487 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001019394391 643030002 /nfs/dbraw/zinc/03/00/02/643030002.db2.gz FPZMPFCDPGANAM-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001019381222 643031402 /nfs/dbraw/zinc/03/14/02/643031402.db2.gz BEOWUEORTDUQNI-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019437386 643032545 /nfs/dbraw/zinc/03/25/45/643032545.db2.gz LZNUBHYPFMRBFJ-JTQLQIEISA-N 1 3 236.319 0.553 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186876 643281941 /nfs/dbraw/zinc/28/19/41/643281941.db2.gz YMIXOAGEFFGJNG-LLVKDONJSA-N 1 3 225.336 0.006 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186876 643281944 /nfs/dbraw/zinc/28/19/44/643281944.db2.gz YMIXOAGEFFGJNG-LLVKDONJSA-N 1 3 225.336 0.006 20 0 BCADHO CC(C)[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970719818 643514878 /nfs/dbraw/zinc/51/48/78/643514878.db2.gz LKOCTKIJZLGOEY-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997014074 643574447 /nfs/dbraw/zinc/57/44/47/643574447.db2.gz FPVBZSXYRVSHJX-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999471281 643736899 /nfs/dbraw/zinc/73/68/99/643736899.db2.gz BPUUYKVWWHIBRL-UHFFFAOYSA-N 1 3 236.319 0.551 20 0 BCADHO CC(=O)NCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000929313460 644074640 /nfs/dbraw/zinc/07/46/40/644074640.db2.gz YMCJWVXVKNQLLY-CHWSQXEVSA-N 1 3 239.363 0.444 20 0 BCADHO OC[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000923004478 644228229 /nfs/dbraw/zinc/22/82/29/644228229.db2.gz FDZIICJRLYUAJT-LPWJVIDDSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000923004478 644228234 /nfs/dbraw/zinc/22/82/34/644228234.db2.gz FDZIICJRLYUAJT-LPWJVIDDSA-N 1 3 224.348 0.974 20 0 BCADHO CCOCC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923282765 644319062 /nfs/dbraw/zinc/31/90/62/644319062.db2.gz XQMTUKVHIACEIF-NWDGAFQWSA-N 1 3 230.352 0.445 20 0 BCADHO CSC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288967 644322092 /nfs/dbraw/zinc/32/20/92/644322092.db2.gz NGLNVBOQDKMGBI-AEJSXWLSSA-N 1 3 218.366 0.379 20 0 BCADHO CC(C)[C@@](C)(CN)[NH2+]C[C@@H](O)C(F)(F)F ZINC000923295542 644331522 /nfs/dbraw/zinc/33/15/22/644331522.db2.gz CLCMOYONHGEHHT-HTQZYQBOSA-N 1 3 228.258 0.873 20 0 BCADHO C[C@](C[NH3+])(NCCO[C@H]1CCOC1)C1CC1 ZINC000923295757 644333737 /nfs/dbraw/zinc/33/37/37/644333737.db2.gz GLCLKUGFNGDBPV-NWDGAFQWSA-N 1 3 228.336 0.509 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296034 644334600 /nfs/dbraw/zinc/33/46/00/644334600.db2.gz NLIMHIFEVXZPOW-RYUDHWBXSA-N 1 3 232.368 0.735 20 0 BCADHO CSC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923297074 644336315 /nfs/dbraw/zinc/33/63/15/644336315.db2.gz XNSPFLVHZVBNGB-ZJUUUORDSA-N 1 3 218.366 0.427 20 0 BCADHO C[C@H]1CSCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315293 644345075 /nfs/dbraw/zinc/34/50/75/644345075.db2.gz FWHFWNPRZMMCTG-WDEREUQCSA-N 1 3 242.388 0.802 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923333191 644354093 /nfs/dbraw/zinc/35/40/93/644354093.db2.gz VLQVLOHXSBSURT-FRRDWIJNSA-N 1 3 244.379 0.689 20 0 BCADHO CC[C@H]1CN(C[C@@H](O)COC)CC[C@H]1[NH3+] ZINC000923343090 644362984 /nfs/dbraw/zinc/36/29/84/644362984.db2.gz BXYXYMQGJFHTTF-HBNTYKKESA-N 1 3 216.325 0.053 20 0 BCADHO NCC(CN)[NH2+]CCCOCc1ccccc1 ZINC000923354366 644369171 /nfs/dbraw/zinc/36/91/71/644369171.db2.gz MGIWZFLVMFHUMW-UHFFFAOYSA-N 1 3 237.347 0.469 20 0 BCADHO C[C@@H]1CCCC[C@H]1OCCNC(CN)C[NH3+] ZINC000923352195 644369717 /nfs/dbraw/zinc/36/97/17/644369717.db2.gz QIONQQOATSZPBV-ZYHUDNBSSA-N 1 3 229.368 0.457 20 0 BCADHO NCC(C[NH3+])NCc1nc2ccccc2s1 ZINC000923353819 644369931 /nfs/dbraw/zinc/36/99/31/644369931.db2.gz AXOCLZGVKFDWOS-UHFFFAOYSA-N 1 3 236.344 0.672 20 0 BCADHO NCC(C[NH3+])NCCOc1ccccc1Cl ZINC000923353138 644370632 /nfs/dbraw/zinc/37/06/32/644370632.db2.gz UMQQVPVHORCQTA-UHFFFAOYSA-N 1 3 243.738 0.594 20 0 BCADHO CC1(C)CCC[C@@H](C[NH2+]C(CN)CN)O1 ZINC000923356366 644372126 /nfs/dbraw/zinc/37/21/26/644372126.db2.gz MDOUXOMIWIFXMM-JTQLQIEISA-N 1 3 215.341 0.210 20 0 BCADHO NCC(CN)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000923359137 644373303 /nfs/dbraw/zinc/37/33/03/644373303.db2.gz MOXSLBKODFVWOM-GFCCVEGCSA-N 1 3 233.359 0.982 20 0 BCADHO CCOCC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923370444 644380430 /nfs/dbraw/zinc/38/04/30/644380430.db2.gz OTAXJELWXLEKCR-VXGBXAGGSA-N 1 3 244.379 0.752 20 0 BCADHO CCOCC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923370444 644380432 /nfs/dbraw/zinc/38/04/32/644380432.db2.gz OTAXJELWXLEKCR-VXGBXAGGSA-N 1 3 244.379 0.752 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCO[C@@H]1CCOC1 ZINC000923368235 644381416 /nfs/dbraw/zinc/38/14/16/644381416.db2.gz OJPXCKFOICBMPK-MNOVXSKESA-N 1 3 230.352 0.755 20 0 BCADHO CC(C)COC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368757 644381828 /nfs/dbraw/zinc/38/18/28/644381828.db2.gz SLZCTBIPPNPPSF-RYUDHWBXSA-N 1 3 246.395 0.983 20 0 BCADHO CCOC[C@@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923371635 644383324 /nfs/dbraw/zinc/38/33/24/644383324.db2.gz CNYKXHAZTFZBLG-QWHCGFSZSA-N 1 3 244.379 0.881 20 0 BCADHO CCOCCOCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375417 644388382 /nfs/dbraw/zinc/38/83/82/644388382.db2.gz LVOZQISSKGUXPM-STQMWFEESA-N 1 3 244.379 0.956 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H](c3cccnc3)C2)C1 ZINC000923384080 644395647 /nfs/dbraw/zinc/39/56/47/644395647.db2.gz RYWQORJSDXUQMI-RFGFWPKPSA-N 1 3 247.342 0.722 20 0 BCADHO CC[N@H+](CCN)C[C@H](O)Cc1ccccc1 ZINC000923402556 644407794 /nfs/dbraw/zinc/40/77/94/644407794.db2.gz YCTNPEUWSXJLLX-CYBMUJFWSA-N 1 3 222.332 0.871 20 0 BCADHO CC[N@@H+](CCN)C[C@H](O)Cc1ccccc1 ZINC000923402556 644407798 /nfs/dbraw/zinc/40/77/98/644407798.db2.gz YCTNPEUWSXJLLX-CYBMUJFWSA-N 1 3 222.332 0.871 20 0 BCADHO CCOCC[C@@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000923415950 644408659 /nfs/dbraw/zinc/40/86/59/644408659.db2.gz SORTWHPAZWMBCE-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO CCOCC[C@@H](O)C[N@H+]1CCNCCC1(C)C ZINC000923415950 644408665 /nfs/dbraw/zinc/40/86/65/644408665.db2.gz SORTWHPAZWMBCE-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923392659 644408839 /nfs/dbraw/zinc/40/88/39/644408839.db2.gz KQEJUPRYHFFPDT-TUAOUCFPSA-N 1 3 230.352 0.586 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923412760 644414725 /nfs/dbraw/zinc/41/47/25/644414725.db2.gz ASQXMSGHKKAESW-WCQYABFASA-N 1 3 244.379 0.691 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923412760 644414730 /nfs/dbraw/zinc/41/47/30/644414730.db2.gz ASQXMSGHKKAESW-WCQYABFASA-N 1 3 244.379 0.691 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923423662 644418547 /nfs/dbraw/zinc/41/85/47/644418547.db2.gz YGNYLFOCMHWIKS-GRYCIOLGSA-N 1 3 244.379 0.735 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923423662 644418552 /nfs/dbraw/zinc/41/85/52/644418552.db2.gz YGNYLFOCMHWIKS-GRYCIOLGSA-N 1 3 244.379 0.735 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCNCCC12CCC2 ZINC000923424376 644419806 /nfs/dbraw/zinc/41/98/06/644419806.db2.gz WZIXSVSHJLRFBP-LLVKDONJSA-N 1 3 244.404 0.928 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCNCCC12CCC2 ZINC000923424376 644419809 /nfs/dbraw/zinc/41/98/09/644419809.db2.gz WZIXSVSHJLRFBP-LLVKDONJSA-N 1 3 244.404 0.928 20 0 BCADHO CCOCCOCCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423745 644419922 /nfs/dbraw/zinc/41/99/22/644419922.db2.gz YTZFUGTYIWAYMQ-MNOVXSKESA-N 1 3 230.352 0.755 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923423673 644420661 /nfs/dbraw/zinc/42/06/61/644420661.db2.gz YGNYLFOCMHWIKS-WOPDTQHZSA-N 1 3 244.379 0.735 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923423673 644420662 /nfs/dbraw/zinc/42/06/62/644420662.db2.gz YGNYLFOCMHWIKS-WOPDTQHZSA-N 1 3 244.379 0.735 20 0 BCADHO COC[C@@H](O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923429275 644421435 /nfs/dbraw/zinc/42/14/35/644421435.db2.gz YJQADAQGUOYFTQ-QWHCGFSZSA-N 1 3 242.363 0.459 20 0 BCADHO CCCCOC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419473 644424750 /nfs/dbraw/zinc/42/47/50/644424750.db2.gz APPFANBUKVWOSJ-IJLUTSLNSA-N 1 3 244.379 0.879 20 0 BCADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923419473 644424756 /nfs/dbraw/zinc/42/47/56/644424756.db2.gz APPFANBUKVWOSJ-IJLUTSLNSA-N 1 3 244.379 0.879 20 0 BCADHO C([C@@H]1CCCCO1)N1CCNCC[NH2+]CC1 ZINC000923460323 644437755 /nfs/dbraw/zinc/43/77/55/644437755.db2.gz MKRSOOFVMJOLTP-LBPRGKRZSA-N 1 3 227.352 0.050 20 0 BCADHO Cc1nc([C@@H](C)N2CC[C@@H](CC[NH3+])C2)n[nH]1 ZINC000923480588 644458680 /nfs/dbraw/zinc/45/86/80/644458680.db2.gz JNYGTTAVJSGOBN-PSASIEDQSA-N 1 3 223.324 0.845 20 0 BCADHO C[C@@H]1CN(Cc2cncn2C)CC[C@H]1C[NH3+] ZINC000923497311 644470862 /nfs/dbraw/zinc/47/08/62/644470862.db2.gz DOIDRTBAAJAOLV-MNOVXSKESA-N 1 3 222.336 0.837 20 0 BCADHO CCCNC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923497760 644472646 /nfs/dbraw/zinc/47/26/46/644472646.db2.gz DLAXMOLLGSCWRP-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499332 644472979 /nfs/dbraw/zinc/47/29/79/644472979.db2.gz JYGKJQUWGDMLPD-HLTSFMKQSA-N 1 3 240.269 0.826 20 0 BCADHO Cn1cc(CCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515006 644477123 /nfs/dbraw/zinc/47/71/23/644477123.db2.gz ACRQRAHNJOYOHM-QWHCGFSZSA-N 1 3 234.347 0.504 20 0 BCADHO Cn1cncc1CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515988 644481571 /nfs/dbraw/zinc/48/15/71/644481571.db2.gz PTRTVYREXPIPET-NWDGAFQWSA-N 1 3 234.347 0.504 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534817 644488415 /nfs/dbraw/zinc/48/84/15/644488415.db2.gz XWVQLDBLSYOYBE-STQMWFEESA-N 1 3 239.363 0.193 20 0 BCADHO Cc1cc(NC[C@H](C)[NH+](C)C)nc(N)n1 ZINC000087031384 644494013 /nfs/dbraw/zinc/49/40/13/644494013.db2.gz YXDYJVXDKLQGQP-QMMMGPOBSA-N 1 3 209.297 0.729 20 0 BCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)CC[C@H]1C[NH3+] ZINC000251566815 644810840 /nfs/dbraw/zinc/81/08/40/644810840.db2.gz BVRNVUKXYYMBLF-MNOVXSKESA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H]1CN(CC(=O)NC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251839000 644826885 /nfs/dbraw/zinc/82/68/85/644826885.db2.gz QGXAUDIGTGGZKQ-QWRGUYRKSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CN(CC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000251922693 644830494 /nfs/dbraw/zinc/83/04/94/644830494.db2.gz YBXYSARATSPUSO-NEPJUHHUSA-N 1 3 239.363 0.526 20 0 BCADHO CON(C)C(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000819106857 645004839 /nfs/dbraw/zinc/00/48/39/645004839.db2.gz ZGIVETWXQIAWME-MNOVXSKESA-N 1 3 243.351 0.469 20 0 BCADHO CON(C)C(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000819106857 645004836 /nfs/dbraw/zinc/00/48/36/645004836.db2.gz ZGIVETWXQIAWME-MNOVXSKESA-N 1 3 243.351 0.469 20 0 BCADHO CC1(C)CN(C(=O)C[C@@H]([NH3+])C2CC2)CCN1 ZINC000841858130 645231254 /nfs/dbraw/zinc/23/12/54/645231254.db2.gz ZKLABAKXNMHWEC-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000843506569 645294125 /nfs/dbraw/zinc/29/41/25/645294125.db2.gz WOKSTMARXUCZOA-SNVBAGLBSA-N 1 3 229.368 0.995 20 0 BCADHO C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)n1 ZINC000926665774 645343770 /nfs/dbraw/zinc/34/37/70/645343770.db2.gz LXNUMCVSHDIFHL-GARJFASQSA-N 1 3 237.351 0.806 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C/CO ZINC000926688368 645358789 /nfs/dbraw/zinc/35/87/89/645358789.db2.gz HQJVHSYPOGGZPT-ALPHMJAXSA-N 1 3 210.321 0.465 20 0 BCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCO ZINC000849023447 645447355 /nfs/dbraw/zinc/44/73/55/645447355.db2.gz VNKKSBJIJZISLB-LLVKDONJSA-N 1 3 242.367 0.357 20 0 BCADHO COC(=O)[C@@]1(F)CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000852753177 645488865 /nfs/dbraw/zinc/48/88/65/645488865.db2.gz AIKWNVBHFUNALY-ZYHUDNBSSA-N 1 3 244.310 0.573 20 0 BCADHO C[NH2+]CCOCCN(C)CCOC(F)F ZINC000863554384 645704257 /nfs/dbraw/zinc/70/42/57/645704257.db2.gz YAHPRSBBMJGCIQ-UHFFFAOYSA-N 1 3 226.267 0.393 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N(C)C ZINC000877371830 645792877 /nfs/dbraw/zinc/79/28/77/645792877.db2.gz PALLUVYRYOIXEN-GMXVVIOVSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884269491 645872111 /nfs/dbraw/zinc/87/21/11/645872111.db2.gz PCMRLXYTUPKPIC-MIMYLULJSA-N 1 3 225.336 0.228 20 0 BCADHO C[NH2+]CCCN(C)C[C@H]1C[C@@]12CCOC2 ZINC000886839580 645891768 /nfs/dbraw/zinc/89/17/68/645891768.db2.gz HWDQSDCQHRMFPZ-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CCCN1CCC([N@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929779281 646307470 /nfs/dbraw/zinc/30/74/70/646307470.db2.gz YNMQEMHKNMIKLM-AAEUAGOBSA-N 1 3 244.379 0.534 20 0 BCADHO CCCN1CCC([N@@H+](C)C[C@H](O)[C@H](C)O)CC1 ZINC000929779281 646307477 /nfs/dbraw/zinc/30/74/77/646307477.db2.gz YNMQEMHKNMIKLM-AAEUAGOBSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H]1CCCCN1CCN[C@H]1C[NH2+]CCOC1 ZINC000925552799 646328359 /nfs/dbraw/zinc/32/83/59/646328359.db2.gz ZOYMCFDFMSHSPZ-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553479 646328612 /nfs/dbraw/zinc/32/86/12/646328612.db2.gz SLKNMBNEYVNIBL-MDZLAQPJSA-N 1 3 239.363 0.047 20 0 BCADHO C[C@H]1CCCCN1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925552798 646329534 /nfs/dbraw/zinc/32/95/34/646329534.db2.gz ZOYMCFDFMSHSPZ-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO CCn1cnnc1CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925575103 646341580 /nfs/dbraw/zinc/34/15/80/646341580.db2.gz UXVBEIMCINECDN-QWRGUYRKSA-N 1 3 249.362 0.700 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@]1(O)CCOC1 ZINC000925625459 646372566 /nfs/dbraw/zinc/37/25/66/646372566.db2.gz FNKCOGVWEVDNNI-HNGCFSAESA-N 1 3 240.347 0.068 20 0 BCADHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@H]2CCCNC2=O)C1 ZINC000925679852 646407548 /nfs/dbraw/zinc/40/75/48/646407548.db2.gz MXGPDVMWYKKBPG-DCAQKATOSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]([NH3+])[C@H](NC[C@@H]1CNCCO1)c1ccccc1 ZINC000925706192 646430442 /nfs/dbraw/zinc/43/04/42/646430442.db2.gz MKZOEVPOKMOIAG-UBHSHLNASA-N 1 3 249.358 0.653 20 0 BCADHO C[C@H]([NH3+])[C@@H](NC[C@@H]1CNCCO1)c1ccccc1 ZINC000925706187 646431225 /nfs/dbraw/zinc/43/12/25/646431225.db2.gz MKZOEVPOKMOIAG-FPMFFAJLSA-N 1 3 249.358 0.653 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCc1cc(N)ccn1 ZINC000925765703 646467179 /nfs/dbraw/zinc/46/71/79/646467179.db2.gz CQFCPRFOZOHIQQ-RKDXNWHRSA-N 1 3 208.309 0.879 20 0 BCADHO Nc1ccnc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1 ZINC000925768778 646470054 /nfs/dbraw/zinc/47/00/54/646470054.db2.gz XCPCDNLSNCUPPJ-WESMLRFZSA-N 1 3 244.342 0.750 20 0 BCADHO CCOCCOCCN[C@H]1CCC[NH2+]CC1 ZINC000925874373 646525975 /nfs/dbraw/zinc/52/59/75/646525975.db2.gz IXCVOOKRVTVYLJ-LBPRGKRZSA-N 1 3 230.352 0.771 20 0 BCADHO [NH3+][C@@H]1C[C@H](NCCO[C@@H]2CCOC2)C12CCC2 ZINC000925876163 646526055 /nfs/dbraw/zinc/52/60/55/646526055.db2.gz XXTVAJGNHQOCNC-UTUOFQBUSA-N 1 3 240.347 0.651 20 0 BCADHO C[C@@H](NCCOC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000925878273 646527365 /nfs/dbraw/zinc/52/73/65/646527365.db2.gz UCAARNOBZPWHMD-NEPJUHHUSA-N 1 3 242.363 0.770 20 0 BCADHO CC[C@H](CCO)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396562492 711701815 /nfs/dbraw/zinc/70/18/15/711701815.db2.gz ILUMXSWYJNOZEQ-GMTAPVOTSA-N 1 3 200.326 0.878 20 0 BCADHO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131863785 711949588 /nfs/dbraw/zinc/94/95/88/711949588.db2.gz CVMQUVZGLISJAB-OPRDCNLKSA-N 1 3 245.392 0.276 20 0 BCADHO CN(C[C@@H]1CCCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703489756 712077489 /nfs/dbraw/zinc/07/74/89/712077489.db2.gz LTWCWDYPRRSRGM-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1COC[C@@H]1N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000710965442 712269457 /nfs/dbraw/zinc/26/94/57/712269457.db2.gz VDFPCTRYMWNRPW-LMLFDSFASA-N 1 3 210.321 0.881 20 0 BCADHO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000710965442 712269458 /nfs/dbraw/zinc/26/94/58/712269458.db2.gz VDFPCTRYMWNRPW-LMLFDSFASA-N 1 3 210.321 0.881 20 0 BCADHO COC1(OC)CC[C@@H]1NCC1=CC[N@H+](C)CC1 ZINC000710986510 712271544 /nfs/dbraw/zinc/27/15/44/712271544.db2.gz DWIOMSVAGVPYDX-LBPRGKRZSA-N 1 3 240.347 0.989 20 0 BCADHO COC1(OC)CC[C@@H]1NCC1=CC[N@@H+](C)CC1 ZINC000710986510 712271545 /nfs/dbraw/zinc/27/15/45/712271545.db2.gz DWIOMSVAGVPYDX-LBPRGKRZSA-N 1 3 240.347 0.989 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712675408 712440199 /nfs/dbraw/zinc/44/01/99/712440199.db2.gz YRUSBXGKCUANAU-NSHDSACASA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712675408 712440200 /nfs/dbraw/zinc/44/02/00/712440200.db2.gz YRUSBXGKCUANAU-NSHDSACASA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712675408 712440201 /nfs/dbraw/zinc/44/02/01/712440201.db2.gz YRUSBXGKCUANAU-NSHDSACASA-N 1 3 241.379 0.912 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCNCCC12CCC2 ZINC000713204516 712454732 /nfs/dbraw/zinc/45/47/32/712454732.db2.gz NGANFWGWPXOVHJ-LLVKDONJSA-N 1 3 228.336 0.212 20 0 BCADHO COC[C@H](O)C[N@H+]1CCNCCC12CCC2 ZINC000713204516 712454733 /nfs/dbraw/zinc/45/47/33/712454733.db2.gz NGANFWGWPXOVHJ-LLVKDONJSA-N 1 3 228.336 0.212 20 0 BCADHO COCCN(C[C@@H]1CC[NH2+]C1)C1CCOCC1 ZINC000716416829 712559733 /nfs/dbraw/zinc/55/97/33/712559733.db2.gz XELQHRKAZUTREO-GFCCVEGCSA-N 1 3 242.363 0.723 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000380144402 712699139 /nfs/dbraw/zinc/69/91/39/712699139.db2.gz WKXYSXIHSDOCQF-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@H+]1CCC[C@@H]1C ZINC000380144402 712699140 /nfs/dbraw/zinc/69/91/40/712699140.db2.gz WKXYSXIHSDOCQF-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720898771 712874929 /nfs/dbraw/zinc/87/49/29/712874929.db2.gz LDQCHINXUBFPQF-YFKTTZPYSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720896706 712876595 /nfs/dbraw/zinc/87/65/95/712876595.db2.gz DHSIGCVARHPOKH-GRYCIOLGSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720895503 712876600 /nfs/dbraw/zinc/87/66/00/712876600.db2.gz XWGJZHOOZNRBSB-OPRDCNLKSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720895503 712876602 /nfs/dbraw/zinc/87/66/02/712876602.db2.gz XWGJZHOOZNRBSB-OPRDCNLKSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720895503 712876603 /nfs/dbraw/zinc/87/66/03/712876603.db2.gz XWGJZHOOZNRBSB-OPRDCNLKSA-N 1 3 211.309 0.029 20 0 BCADHO CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028043 710717384 /nfs/dbraw/zinc/71/73/84/710717384.db2.gz LZKYIVLIBMDYPU-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028043 710717387 /nfs/dbraw/zinc/71/73/87/710717387.db2.gz LZKYIVLIBMDYPU-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CC(=O)N(C)C1 ZINC000723599121 710728755 /nfs/dbraw/zinc/72/87/55/710728755.db2.gz IIBNMKMIBSEGOU-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1CCO[C@H]1CCOC1 ZINC000724921487 710749383 /nfs/dbraw/zinc/74/93/83/710749383.db2.gz LTGPIVLIDNFEOC-OLZOCXBDSA-N 1 3 242.363 0.995 20 0 BCADHO COCC(COC)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000385010352 711002899 /nfs/dbraw/zinc/00/28/99/711002899.db2.gz XRUUXXHKVMFZTE-QWRGUYRKSA-N 1 3 230.352 0.565 20 0 BCADHO C[C@H]1CN(CC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000133092513 710968221 /nfs/dbraw/zinc/96/82/21/710968221.db2.gz SRKDFMAGSNMQQL-VHSXEESVSA-N 1 3 225.336 0.182 20 0 BCADHO CC(=O)N1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000390607097 711127953 /nfs/dbraw/zinc/12/79/53/711127953.db2.gz YDXCIZCETJPHQC-NEPJUHHUSA-N 1 3 225.336 0.278 20 0 BCADHO CC[C@@H]1CN(C(COC)COC)CC[C@H]1[NH3+] ZINC000395339120 711208482 /nfs/dbraw/zinc/20/84/82/711208482.db2.gz ARNBANXJCXOXEO-ZYHUDNBSSA-N 1 3 230.352 0.707 20 0 BCADHO Cc1nccn1CCN[C@H]1CCC[NH2+][C@H]1C ZINC000396609326 711359011 /nfs/dbraw/zinc/35/90/11/711359011.db2.gz AYJQBAHEPHQRJV-JQWIXIFHSA-N 1 3 222.336 0.922 20 0 BCADHO Cc1nccn1CC[NH2+][C@H]1CCCN[C@H]1C ZINC000396609326 711359020 /nfs/dbraw/zinc/35/90/20/711359020.db2.gz AYJQBAHEPHQRJV-JQWIXIFHSA-N 1 3 222.336 0.922 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCOC[C@H](C)C1 ZINC000399284003 711425417 /nfs/dbraw/zinc/42/54/17/711425417.db2.gz VEVHMPKUFPNHPS-UTUOFQBUSA-N 1 3 212.337 0.810 20 0 BCADHO C[C@@H]1COCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000383035324 710841608 /nfs/dbraw/zinc/84/16/08/710841608.db2.gz FMKRPXVAQZEKKN-VTAXGKEESA-N 1 3 236.359 0.997 20 0 BCADHO COCC(COC)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000384974215 711001507 /nfs/dbraw/zinc/00/15/07/711001507.db2.gz PTRBVVMQPALEEA-AAEUAGOBSA-N 1 3 242.363 0.709 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NCCC1(CO)CC1 ZINC000396645277 711362511 /nfs/dbraw/zinc/36/25/11/711362511.db2.gz BYKUTBHWONTIDL-GHMZBOCLSA-N 1 3 212.337 0.879 20 0 BCADHO CCS(=O)(=O)CCN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723910557 711544671 /nfs/dbraw/zinc/54/46/71/711544671.db2.gz VKFFKNCKRRDAOL-GHMZBOCLSA-N 1 3 248.392 0.338 20 0 BCADHO CCNC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000133081563 711558962 /nfs/dbraw/zinc/55/89/62/711558962.db2.gz DKQZCWUTVYWOEY-ZJUUUORDSA-N 1 3 213.325 0.039 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724562483 711592546 /nfs/dbraw/zinc/59/25/46/711592546.db2.gz GYAKILAVYQDLAT-ZDEQEGDKSA-N 1 3 240.347 0.461 20 0 BCADHO CN(C[C@@H]1C[C@H]2COC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000724564247 711592756 /nfs/dbraw/zinc/59/27/56/711592756.db2.gz RRGRMOXLNBTELK-SRVKXCTJSA-N 1 3 242.363 0.707 20 0 BCADHO CO[C@@H]1CCOC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000724887086 711625470 /nfs/dbraw/zinc/62/54/70/711625470.db2.gz NXRFNZYOJFLZPD-JHJVBQTASA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCC(=O)N(C)C ZINC000396591679 711702402 /nfs/dbraw/zinc/70/24/02/711702402.db2.gz CLWLVGDAGZTNQU-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CN(CCO[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724945015 711744500 /nfs/dbraw/zinc/74/45/00/711744500.db2.gz WAAMRCVWVFTJON-UTUOFQBUSA-N 1 3 228.336 0.319 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000069724259 711893586 /nfs/dbraw/zinc/89/35/86/711893586.db2.gz XWESNKIIEFVGEG-IUCAKERBSA-N 1 3 240.269 0.970 20 0 BCADHO N[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCSC2)C12CCC2 ZINC000702273592 712043835 /nfs/dbraw/zinc/04/38/35/712043835.db2.gz UYDKYHQQVQNLDA-MXWKQRLJSA-N 1 3 242.388 0.714 20 0 BCADHO CC[C@@H](CO)[NH2+]CC[C@H]1CCCN1C ZINC000707891354 712173548 /nfs/dbraw/zinc/17/35/48/712173548.db2.gz CUBIMLVGOAXZBL-WDEREUQCSA-N 1 3 200.326 0.831 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000709272170 712218970 /nfs/dbraw/zinc/21/89/70/712218970.db2.gz BOQVEVQNEMYVLG-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCOC1)[NH2+]2 ZINC000709385171 712220484 /nfs/dbraw/zinc/22/04/84/712220484.db2.gz JANBVFBNQPADCW-YBXAARCKSA-N 1 3 210.321 0.894 20 0 BCADHO NCC(C[NH3+])NCc1cnc2ccccc2c1 ZINC000710057116 712243447 /nfs/dbraw/zinc/24/34/47/712243447.db2.gz NRKINLPGJMEFQM-UHFFFAOYSA-N 1 3 230.315 0.610 20 0 BCADHO C[C@@H]1COC[C@@H]1N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000710965448 712269447 /nfs/dbraw/zinc/26/94/47/712269447.db2.gz VDFPCTRYMWNRPW-YTWAJWBKSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000710965448 712269448 /nfs/dbraw/zinc/26/94/48/712269448.db2.gz VDFPCTRYMWNRPW-YTWAJWBKSA-N 1 3 210.321 0.881 20 0 BCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NCCN1CCCC1 ZINC000711310278 712293776 /nfs/dbraw/zinc/29/37/76/712293776.db2.gz JFARTENCRRMBLZ-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712303115 712395356 /nfs/dbraw/zinc/39/53/56/712395356.db2.gz AWLXFDLTESXIJO-LOWDOPEQSA-N 1 3 242.363 0.002 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000712303115 712395358 /nfs/dbraw/zinc/39/53/58/712395358.db2.gz AWLXFDLTESXIJO-LOWDOPEQSA-N 1 3 242.363 0.002 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@@H](N)CC2CC2)CC1 ZINC000379760512 712398070 /nfs/dbraw/zinc/39/80/70/712398070.db2.gz DFOONYUXQFBKIN-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCN(C(=O)C(C)(C)[NH3+])CCC1(C)C ZINC000712669004 712439977 /nfs/dbraw/zinc/43/99/77/712439977.db2.gz NYLRSDFLMPDCLD-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CCNCCC12CCC2 ZINC000713159906 712453353 /nfs/dbraw/zinc/45/33/53/712453353.db2.gz UAWQCHKYSZRBFD-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CCNCCC12CCC2 ZINC000713159906 712453355 /nfs/dbraw/zinc/45/33/55/712453355.db2.gz UAWQCHKYSZRBFD-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714440355 712488744 /nfs/dbraw/zinc/48/87/44/712488744.db2.gz SVWYHDOHACVSDO-NSHDSACASA-N 1 3 241.379 0.947 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718461532 712763964 /nfs/dbraw/zinc/76/39/64/712763964.db2.gz UWINZVIEFKVETK-RUJICJSRSA-N 1 3 239.363 0.748 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029441 712800241 /nfs/dbraw/zinc/80/02/41/712800241.db2.gz BEWRVKXGJMWVEC-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCCCC1 ZINC000038029441 712800242 /nfs/dbraw/zinc/80/02/42/712800242.db2.gz BEWRVKXGJMWVEC-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CNC(=O)CNC1CC1)[NH+]1CCCCC1 ZINC000038029520 712800311 /nfs/dbraw/zinc/80/03/11/712800311.db2.gz PDSHLBKXZYOGLN-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCN(CCOCC[NH3+])CCO1 ZINC000719771401 712823990 /nfs/dbraw/zinc/82/39/90/712823990.db2.gz VVEYWZDNFGUYNL-JTQLQIEISA-N 1 3 202.298 0.073 20 0 BCADHO C[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416468 712841135 /nfs/dbraw/zinc/84/11/35/712841135.db2.gz PZYJQSNTCWNGDE-RYUDHWBXSA-N 1 3 240.347 0.618 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901474 712875839 /nfs/dbraw/zinc/87/58/39/712875839.db2.gz SALRTASNGGPNAT-WHOHXGKFSA-N 1 3 237.347 0.419 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720894651 712876046 /nfs/dbraw/zinc/87/60/46/712876046.db2.gz WGWKBLQNRYCSSF-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896449 712876906 /nfs/dbraw/zinc/87/69/06/712876906.db2.gz DGHKLVVFSITYJB-NXEZZACHSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C)C1CC1 ZINC000649319495 398142722 /nfs/dbraw/zinc/14/27/22/398142722.db2.gz BRBOYJMQWVULKA-YJQGPUDQSA-N 1 3 237.347 0.051 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000228765330 168322252 /nfs/dbraw/zinc/32/22/52/168322252.db2.gz MFDHLWFVXMXZFT-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000257704724 349482208 /nfs/dbraw/zinc/48/22/08/349482208.db2.gz PEIPLCWNFAJLMW-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000649342021 398158872 /nfs/dbraw/zinc/15/88/72/398158872.db2.gz HUECNIDAEDKLQZ-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000649342084 398159038 /nfs/dbraw/zinc/15/90/38/398159038.db2.gz LFIUWJKKMXVDSM-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000063166154 349500391 /nfs/dbraw/zinc/50/03/91/349500391.db2.gz RZPBDTOYIMQRGN-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO C[NH2+]CC1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000063166155 349500623 /nfs/dbraw/zinc/50/06/23/349500623.db2.gz RZPBDTOYIMQRGN-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000062972779 349503595 /nfs/dbraw/zinc/50/35/95/349503595.db2.gz ZLGCNEAGDMCYRP-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCC(=O)N(C)C ZINC000422941653 398159488 /nfs/dbraw/zinc/15/94/88/398159488.db2.gz VGONUYSHYKTRDK-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO COCCN(C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422906128 398157138 /nfs/dbraw/zinc/15/71/38/398157138.db2.gz JEQANALMMTVLKI-STQMWFEESA-N 1 3 243.395 0.542 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000649341579 398157908 /nfs/dbraw/zinc/15/79/08/398157908.db2.gz JCRKRQYFNAMQNL-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649341575 398158019 /nfs/dbraw/zinc/15/80/19/398158019.db2.gz INNNRDHAYAPGRS-QWRGUYRKSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CC[C@H](C)C1 ZINC000649341582 398158140 /nfs/dbraw/zinc/15/81/40/398158140.db2.gz JCRKRQYFNAMQNL-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348465 398162510 /nfs/dbraw/zinc/16/25/10/398162510.db2.gz LRDKJXYBIUMOGJ-AHRFKUBPSA-N 1 3 249.358 0.051 20 0 BCADHO O[C@@H](CNCC1(O)CCC1)C[NH+]1CCCCC1 ZINC000380102241 398186314 /nfs/dbraw/zinc/18/63/14/398186314.db2.gz XOVSQGYMUIZVBP-LBPRGKRZSA-N 1 3 242.363 0.338 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)CC(F)F)C1 ZINC000576230840 365531580 /nfs/dbraw/zinc/53/15/80/365531580.db2.gz PUYBNMRNVPZTRZ-IUCAKERBSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CC(F)F)C1 ZINC000576230840 365531582 /nfs/dbraw/zinc/53/15/82/365531582.db2.gz PUYBNMRNVPZTRZ-IUCAKERBSA-N 1 3 249.305 0.427 20 0 BCADHO NC1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCC1 ZINC000573089973 398209378 /nfs/dbraw/zinc/20/93/78/398209378.db2.gz WRTMMGNXELLWGW-JTQLQIEISA-N 1 3 225.336 0.516 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000576291662 365554918 /nfs/dbraw/zinc/55/49/18/365554918.db2.gz OQNWUJBSVUZESM-YFKTTZPYSA-N 1 3 239.363 0.761 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000576291662 365554921 /nfs/dbraw/zinc/55/49/21/365554921.db2.gz OQNWUJBSVUZESM-YFKTTZPYSA-N 1 3 239.363 0.761 20 0 BCADHO Cn1nccc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000069723864 398214216 /nfs/dbraw/zinc/21/42/16/398214216.db2.gz DXXCKCUVRAENMP-NSHDSACASA-N 1 3 222.336 0.981 20 0 BCADHO Cc1noc(CCCN2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000576346689 365572381 /nfs/dbraw/zinc/57/23/81/365572381.db2.gz VNBGPJQGKZHYHM-ONGXEEELSA-N 1 3 238.335 0.980 20 0 BCADHO CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386680844 398216343 /nfs/dbraw/zinc/21/63/43/398216343.db2.gz IFBUMRZMDJKMBW-TUAOUCFPSA-N 1 3 230.352 0.192 20 0 BCADHO Cn1cc(CCN[C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000649420007 398218702 /nfs/dbraw/zinc/21/87/02/398218702.db2.gz URPNMTCIMDGBRK-NSHDSACASA-N 1 3 224.352 0.926 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CCSC ZINC000576397771 365585858 /nfs/dbraw/zinc/58/58/58/365585858.db2.gz NGXBERNBFPFEJR-SECBINFHSA-N 1 3 247.408 0.701 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N(C)CCN(C)C ZINC000418381389 192030511 /nfs/dbraw/zinc/03/05/11/192030511.db2.gz GHVQLQGYUIZILZ-JTQLQIEISA-N 1 3 230.356 0.173 20 0 BCADHO COCCC[N@H+](CCO)CC[C@H]1CCCN1C ZINC000189876204 398226576 /nfs/dbraw/zinc/22/65/76/398226576.db2.gz UQVKZIZZYUBWCS-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO COCCC[N@@H+](CCO)CC[C@H]1CCCN1C ZINC000189876204 398226579 /nfs/dbraw/zinc/22/65/79/398226579.db2.gz UQVKZIZZYUBWCS-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418384030 192031109 /nfs/dbraw/zinc/03/11/09/192031109.db2.gz NVCYWASOONWYIG-JTQLQIEISA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H](CN[C@@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563910 398228287 /nfs/dbraw/zinc/22/82/87/398228287.db2.gz XYRDOUNNWFLZOS-ONGXEEELSA-N 1 3 248.392 0.384 20 0 BCADHO Cn1cc(CCN[C@@](C)(C[NH3+])C2CC2)cn1 ZINC000430568130 398229002 /nfs/dbraw/zinc/22/90/02/398229002.db2.gz FLHOULOHHKFCEW-LBPRGKRZSA-N 1 3 222.336 0.680 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418403753 192033765 /nfs/dbraw/zinc/03/37/65/192033765.db2.gz JUTCLUDAQXNWAF-HBNTYKKESA-N 1 3 242.367 0.362 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC000629965302 361812536 /nfs/dbraw/zinc/81/25/36/361812536.db2.gz SFYMLOHLSGWSKF-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+](CCO)C[C@H](O)CN(C)C(C)C ZINC000379875681 398239487 /nfs/dbraw/zinc/23/94/87/398239487.db2.gz SPLBBGLSBXRDMV-LLVKDONJSA-N 1 3 218.341 0.002 20 0 BCADHO CC[N@@H+](CCO)C[C@H](O)CN(C)C(C)C ZINC000379875681 398239491 /nfs/dbraw/zinc/23/94/91/398239491.db2.gz SPLBBGLSBXRDMV-LLVKDONJSA-N 1 3 218.341 0.002 20 0 BCADHO C[C@@H]1CCN(CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000381253839 398244081 /nfs/dbraw/zinc/24/40/81/398244081.db2.gz PJSYVQFAKDPKIB-ZYHUDNBSSA-N 1 3 222.336 0.869 20 0 BCADHO CC[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000380136408 398244111 /nfs/dbraw/zinc/24/41/11/398244111.db2.gz UQMNZXLENNNGRB-QMMMGPOBSA-N 1 3 201.314 0.228 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)C1CCC1 ZINC000576507190 365611914 /nfs/dbraw/zinc/61/19/14/365611914.db2.gz OSLHDUMGADBZKY-NSHDSACASA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1OCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336778249 398245150 /nfs/dbraw/zinc/24/51/50/398245150.db2.gz KUICDSLTQALJAC-WDEREUQCSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000669528888 488176616 /nfs/dbraw/zinc/17/66/16/488176616.db2.gz PPVRYQHALLWSKT-ATZCPNFKSA-N 1 3 240.351 0.116 20 0 BCADHO Cc1c[nH+]ccc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580903394 398250857 /nfs/dbraw/zinc/25/08/57/398250857.db2.gz SRGJKTJSCFBJQU-WDEREUQCSA-N 1 3 246.314 0.138 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000323018461 259309419 /nfs/dbraw/zinc/30/94/19/259309419.db2.gz IWHUPDQEDUYTPX-HBNTYKKESA-N 1 3 227.352 0.631 20 0 BCADHO CCN(CC)CC(=O)NCCC[NH2+]C1CC1 ZINC000576706180 365665669 /nfs/dbraw/zinc/66/56/69/365665669.db2.gz DJZJPWHOJIIIJW-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC1 ZINC000576754668 365676658 /nfs/dbraw/zinc/67/66/58/365676658.db2.gz XINOWZMMSROOLS-BDAKNGLRSA-N 1 3 211.309 0.111 20 0 BCADHO CCC[NH2+]CCNC(=O)N(C)CCN(C)C ZINC000418469657 192038351 /nfs/dbraw/zinc/03/83/51/192038351.db2.gz IQJNJXOKKMEDJM-UHFFFAOYSA-N 1 3 230.356 0.189 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)NCCN(C)C ZINC000418477524 192039665 /nfs/dbraw/zinc/03/96/65/192039665.db2.gz XXINIISAVSQIKX-SNVBAGLBSA-N 1 3 230.356 0.365 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334925562 398274516 /nfs/dbraw/zinc/27/45/16/398274516.db2.gz LPKCEHZERVMQOS-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO CCC[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418489278 192041691 /nfs/dbraw/zinc/04/16/91/192041691.db2.gz NCIOLSZJTNLBIE-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](C(=O)NCCN(C)C1CC1)[C@H](C)[NH3+] ZINC000165436680 361840529 /nfs/dbraw/zinc/84/05/29/361840529.db2.gz KEDFNDNBRSLJEN-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418496532 192042146 /nfs/dbraw/zinc/04/21/46/192042146.db2.gz VKFSXLJWSATHSC-QWRGUYRKSA-N 1 3 242.367 0.317 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(CCn2cccn2)C1 ZINC000082651672 398277190 /nfs/dbraw/zinc/27/71/90/398277190.db2.gz XRGJNIPRTRWWDF-NWDGAFQWSA-N 1 3 222.336 0.942 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](C)N)C(C)C ZINC000167201385 361862403 /nfs/dbraw/zinc/86/24/03/361862403.db2.gz XFDNYTVNFKYYOT-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](C)N)C(C)C ZINC000167201385 361862407 /nfs/dbraw/zinc/86/24/07/361862407.db2.gz XFDNYTVNFKYYOT-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)[C@@H](C(=O)NC1CCN(C)CC1)[C@H](C)[NH3+] ZINC000399628570 342739307 /nfs/dbraw/zinc/73/93/07/342739307.db2.gz FIXKPTGQTRLGNN-CMPLNLGQSA-N 1 3 241.379 0.816 20 0 BCADHO CN(CC(=O)NC(C)(C)C[NH+](C)C)C1CCC1 ZINC000630007947 361892716 /nfs/dbraw/zinc/89/27/16/361892716.db2.gz RIGMDEJNSYPRBM-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464142 398288787 /nfs/dbraw/zinc/28/87/87/398288787.db2.gz IUHOFHBLGIJFMH-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000335464748 398289598 /nfs/dbraw/zinc/28/95/98/398289598.db2.gz METUWCLVXVMRKB-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1C ZINC000335464748 398289601 /nfs/dbraw/zinc/28/96/01/398289601.db2.gz METUWCLVXVMRKB-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCNC(C)(C)C1 ZINC000335621902 136240137 /nfs/dbraw/zinc/24/01/37/136240137.db2.gz BQNWFKPYVCDEPM-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000335621917 136240187 /nfs/dbraw/zinc/24/01/87/136240187.db2.gz CAXPFVUSIMEODD-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000335621919 136240189 /nfs/dbraw/zinc/24/01/89/136240189.db2.gz CAXPFVUSIMEODD-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418516893 192045943 /nfs/dbraw/zinc/04/59/43/192045943.db2.gz UALLTRSSVMGRQW-GHMZBOCLSA-N 1 3 242.367 0.458 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000379894631 538981005 /nfs/dbraw/zinc/98/10/05/538981005.db2.gz BWGWBMQPQVPWEE-NSHDSACASA-N 1 3 213.325 0.135 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000379894631 538981006 /nfs/dbraw/zinc/98/10/06/538981006.db2.gz BWGWBMQPQVPWEE-NSHDSACASA-N 1 3 213.325 0.135 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000379894631 538981007 /nfs/dbraw/zinc/98/10/07/538981007.db2.gz BWGWBMQPQVPWEE-NSHDSACASA-N 1 3 213.325 0.135 20 0 BCADHO CC(C)(C)[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000380057198 538984185 /nfs/dbraw/zinc/98/41/85/538984185.db2.gz YOSFLACDYHDPMZ-GARJFASQSA-N 1 3 212.337 0.545 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822070 398294685 /nfs/dbraw/zinc/29/46/85/398294685.db2.gz JAHJURALENNSES-WYUUTHIRSA-N 1 3 237.347 0.052 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418521185 192046810 /nfs/dbraw/zinc/04/68/10/192046810.db2.gz IBZPLCACABIERM-UTLUCORTSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618667 539026718 /nfs/dbraw/zinc/02/67/18/539026718.db2.gz HRVZOCJCULIFPX-LPWJVIDDSA-N 1 3 224.348 0.953 20 0 BCADHO CC[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000309747743 342847566 /nfs/dbraw/zinc/84/75/66/342847566.db2.gz GBFRWWVPSGYLKZ-GXSJLCMTSA-N 1 3 213.325 0.230 20 0 BCADHO CN(C)CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418538950 192049167 /nfs/dbraw/zinc/04/91/67/192049167.db2.gz LKGFYRLWWMASTG-LBPRGKRZSA-N 1 3 242.367 0.237 20 0 BCADHO CO[C@H](CNCCC[NH+](C)C)C1CC1 ZINC000382156997 398307730 /nfs/dbraw/zinc/30/77/30/398307730.db2.gz RLIQABUIEZRBRV-LLVKDONJSA-N 1 3 200.326 0.953 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132945210 398309920 /nfs/dbraw/zinc/30/99/20/398309920.db2.gz HOZUDCICINUDKJ-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132945210 398309921 /nfs/dbraw/zinc/30/99/21/398309921.db2.gz HOZUDCICINUDKJ-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000236789182 398316781 /nfs/dbraw/zinc/31/67/81/398316781.db2.gz WGDRWWUYLKZHQC-NHCYSSNCSA-N 1 3 239.363 0.711 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000167341651 136245428 /nfs/dbraw/zinc/24/54/28/136245428.db2.gz NGCNSHGCDDZUGY-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000167341550 136245504 /nfs/dbraw/zinc/24/55/04/136245504.db2.gz NGCNSHGCDDZUGY-WDEREUQCSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCN(C)C ZINC000418556402 192050102 /nfs/dbraw/zinc/05/01/02/192050102.db2.gz OVWVWBFONPMCHE-MNOVXSKESA-N 1 3 242.367 0.187 20 0 BCADHO C[C@H]1NCCN(C(=O)CC[NH2+]C2CC2)[C@H]1C ZINC000584004271 342900083 /nfs/dbraw/zinc/90/00/83/342900083.db2.gz FYWJJVNSEBMPJW-ZJUUUORDSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC[NH2+]C1CC1 ZINC000584004270 342900097 /nfs/dbraw/zinc/90/00/97/342900097.db2.gz FYWJJVNSEBMPJW-VHSXEESVSA-N 1 3 225.336 0.337 20 0 BCADHO CCN1CCC(N(C)C(=O)CC[NH3+])CC1 ZINC000036135352 342893002 /nfs/dbraw/zinc/89/30/02/342893002.db2.gz IKKLCARURREJFD-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CC[NH+]1CCC(NC(=O)NCCN(C)C)CC1 ZINC000133348842 323018661 /nfs/dbraw/zinc/01/86/61/323018661.db2.gz CYJSRMFVVMYXCY-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N(C)CCN1CCCC1 ZINC000418571278 192052335 /nfs/dbraw/zinc/05/23/35/192052335.db2.gz RJDDCWUWOYMXME-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)[NH2+]C ZINC000308979015 529417442 /nfs/dbraw/zinc/41/74/42/529417442.db2.gz HLHFHEWQAKHUHE-VGMNWLOBSA-N 1 3 201.314 0.084 20 0 BCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)N ZINC000037001287 342915401 /nfs/dbraw/zinc/91/54/01/342915401.db2.gz LXDJCPSHEJRFDS-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN1CCCC1 ZINC000037480179 398328388 /nfs/dbraw/zinc/32/83/88/398328388.db2.gz LNBLERBJSLBYIS-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH+](C)CCCNC(=O)C1(N)CCCC1 ZINC000037479405 398328436 /nfs/dbraw/zinc/32/84/36/398328436.db2.gz XCWBBIRXVPWSGG-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)(O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128054427 398333671 /nfs/dbraw/zinc/33/36/71/398333671.db2.gz XQMDIAPYVNXUII-WDEREUQCSA-N 1 3 212.337 0.974 20 0 BCADHO CC(C)(O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128054427 398333672 /nfs/dbraw/zinc/33/36/72/398333672.db2.gz XQMDIAPYVNXUII-WDEREUQCSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CNC(=O)C1(N)CCCC1)[NH+](C)C ZINC000038089349 398335935 /nfs/dbraw/zinc/33/59/35/398335935.db2.gz AMZJDGYNTCWKEY-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N(C)C ZINC000038089213 398335955 /nfs/dbraw/zinc/33/59/55/398335955.db2.gz QJTLHBCIAXWPKM-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[NH2+]C(C)C ZINC000041680306 488191898 /nfs/dbraw/zinc/19/18/98/488191898.db2.gz HQHRIALTAVJNJA-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCCN2CCOCC2)C1 ZINC000351849741 136257920 /nfs/dbraw/zinc/25/79/20/136257920.db2.gz HAWZFJMUTOTTTH-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362514104 187219551 /nfs/dbraw/zinc/21/95/51/187219551.db2.gz VLEHQPYDRVSMAY-GFCCVEGCSA-N 1 3 241.379 0.879 20 0 BCADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050460708 343022503 /nfs/dbraw/zinc/02/25/03/343022503.db2.gz NMUOEVGLKKIPFK-OLZOCXBDSA-N 1 3 247.342 0.712 20 0 BCADHO CC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309517931 259343529 /nfs/dbraw/zinc/34/35/29/259343529.db2.gz ZFXBJSUTSICTDJ-NXEZZACHSA-N 1 3 211.309 0.077 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373054362 187223858 /nfs/dbraw/zinc/22/38/58/187223858.db2.gz VSDPKSBJGHDNJE-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)C[NH+]1CCCC1 ZINC000062082713 343047379 /nfs/dbraw/zinc/04/73/79/343047379.db2.gz HMAAGVFCXYUENZ-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089326 343059097 /nfs/dbraw/zinc/05/90/97/343059097.db2.gz VYYOGWPNJYLODT-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CN(CCC[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000576837845 365700379 /nfs/dbraw/zinc/70/03/79/365700379.db2.gz FQJQLBIZORJPEC-JTQLQIEISA-N 1 3 240.351 0.213 20 0 BCADHO CC[C@](C)(N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584880932 343081556 /nfs/dbraw/zinc/08/15/56/343081556.db2.gz BEKQRQFSQISPAF-SCZZXKLOSA-N 1 3 209.297 0.396 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000236648282 343105494 /nfs/dbraw/zinc/10/54/94/343105494.db2.gz CXPGLCHGYVRDFQ-QWRGUYRKSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)Cn1cccn1 ZINC000049556989 343111809 /nfs/dbraw/zinc/11/18/09/343111809.db2.gz IORUFOHZFBJFKW-RYUDHWBXSA-N 1 3 240.351 0.174 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000236872671 343113166 /nfs/dbraw/zinc/11/31/66/343113166.db2.gz RDWYGPJQVIOKNL-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000236872671 343113167 /nfs/dbraw/zinc/11/31/67/343113167.db2.gz RDWYGPJQVIOKNL-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418687777 192060615 /nfs/dbraw/zinc/06/06/15/192060615.db2.gz AJUCJIZNWDPMAE-AXTSPUMRSA-N 1 3 228.340 0.114 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC(C)(C)C1 ZINC000576879303 365712738 /nfs/dbraw/zinc/71/27/38/365712738.db2.gz FDXJWDLPQFSZQX-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC(C)(C)C1 ZINC000576879303 365712739 /nfs/dbraw/zinc/71/27/39/365712739.db2.gz FDXJWDLPQFSZQX-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC(C)(C)C1 ZINC000576879303 365712741 /nfs/dbraw/zinc/71/27/41/365712741.db2.gz FDXJWDLPQFSZQX-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)C2(N)CC2)c1 ZINC000237203636 343130850 /nfs/dbraw/zinc/13/08/50/343130850.db2.gz ZGWXFQCMIMTMFO-UHFFFAOYSA-N 1 3 219.288 0.836 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000092956244 343149737 /nfs/dbraw/zinc/14/97/37/343149737.db2.gz HTCKKOVSIDOEPS-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](C(=O)NCCC[NH3+])[C@H](N)c1ccccc1 ZINC000131714155 343184600 /nfs/dbraw/zinc/18/46/00/343184600.db2.gz NRGAZYGDKLXEOP-JQWIXIFHSA-N 1 3 235.331 0.788 20 0 BCADHO CC[NH+]1CCC(CNC(=O)C2(N)CCC2)CC1 ZINC000148186817 343196140 /nfs/dbraw/zinc/19/61/40/343196140.db2.gz SRQLAFVHPXVEMW-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000161081555 343204109 /nfs/dbraw/zinc/20/41/09/343204109.db2.gz IEZDGSFOMDCTSF-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CCN1C ZINC000398073944 488207592 /nfs/dbraw/zinc/20/75/92/488207592.db2.gz AVAUGHRBQPFWQP-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000163553593 343206827 /nfs/dbraw/zinc/20/68/27/343206827.db2.gz ZTRNBBWYRMZPQO-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@H](CN)C[C@H]1C ZINC000163553593 343206828 /nfs/dbraw/zinc/20/68/28/343206828.db2.gz ZTRNBBWYRMZPQO-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000163553400 343206891 /nfs/dbraw/zinc/20/68/91/343206891.db2.gz ZTRNBBWYRMZPQO-GMTAPVOTSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000163553400 343206892 /nfs/dbraw/zinc/20/68/92/343206892.db2.gz ZTRNBBWYRMZPQO-GMTAPVOTSA-N 1 3 200.326 0.938 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCCCC[NH3+])C1 ZINC000167421501 343209231 /nfs/dbraw/zinc/20/92/31/343209231.db2.gz NDFMWJWMXJNNJK-ZJUUUORDSA-N 1 3 213.325 0.230 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000165391376 343211276 /nfs/dbraw/zinc/21/12/76/343211276.db2.gz JUDJUOCBIVYZMH-DCAQKATOSA-N 1 3 227.352 0.428 20 0 BCADHO C[NH2+]CCCNC(=O)C1CCN(C2CC2)CC1 ZINC000569721389 323038611 /nfs/dbraw/zinc/03/86/11/323038611.db2.gz WUYZQZFAWWYDFA-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398065708 488206868 /nfs/dbraw/zinc/20/68/68/488206868.db2.gz JGFUNBAULCLFFB-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO C[NH+](C)CC1CCN(C[C@H]2CNCCO2)CC1 ZINC000043802888 488209989 /nfs/dbraw/zinc/20/99/89/488209989.db2.gz PCKQDYVFEHTAOO-CYBMUJFWSA-N 1 3 241.379 0.248 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418703079 192062009 /nfs/dbraw/zinc/06/20/09/192062009.db2.gz BENWIVWUXIQQKN-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO Cc1nccn1CCC[N@@H+]1CCCNCC1 ZINC000348755018 136297078 /nfs/dbraw/zinc/29/70/78/136297078.db2.gz DWTFNFFRHLUIHB-UHFFFAOYSA-N 1 3 222.336 0.877 20 0 BCADHO Cc1nccn1CCC[N@H+]1CCCNCC1 ZINC000348755018 136297079 /nfs/dbraw/zinc/29/70/79/136297079.db2.gz DWTFNFFRHLUIHB-UHFFFAOYSA-N 1 3 222.336 0.877 20 0 BCADHO C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)N(C)C ZINC000038089234 343370353 /nfs/dbraw/zinc/37/03/53/343370353.db2.gz LSLNLWBYVJUJSO-JTQLQIEISA-N 1 3 235.331 0.825 20 0 BCADHO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000335652784 136305594 /nfs/dbraw/zinc/30/55/94/136305594.db2.gz BBBQZENWAVTRSK-DTWKUNHWSA-N 1 3 247.289 0.099 20 0 BCADHO NC1(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000335657953 136306862 /nfs/dbraw/zinc/30/68/62/136306862.db2.gz PTFNQXJCGINCKT-UHFFFAOYSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000335662875 136315351 /nfs/dbraw/zinc/31/53/51/136315351.db2.gz PMFPXDQLUQWAJY-GHMZBOCLSA-N 1 3 237.347 0.326 20 0 BCADHO CC(C)[C@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000166230594 136315691 /nfs/dbraw/zinc/31/56/91/136315691.db2.gz ADQPXUTWIRFGTN-ZDUSSCGKSA-N 1 3 225.380 0.870 20 0 BCADHO CC(C)[C@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000166230594 136315692 /nfs/dbraw/zinc/31/56/92/136315692.db2.gz ADQPXUTWIRFGTN-ZDUSSCGKSA-N 1 3 225.380 0.870 20 0 BCADHO C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040430933 343402585 /nfs/dbraw/zinc/40/25/85/343402585.db2.gz XFYBZUXCROCCGL-PWSUYJOCSA-N 1 3 235.331 0.753 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000349189143 136330835 /nfs/dbraw/zinc/33/08/35/136330835.db2.gz FEWZOYQLRVOSCX-QWHCGFSZSA-N 1 3 243.395 0.494 20 0 BCADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000310344639 343451268 /nfs/dbraw/zinc/45/12/68/343451268.db2.gz DWWSXALQQNPCNV-DTWKUNHWSA-N 1 3 249.305 0.522 20 0 BCADHO CCC[N@@H+]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000083961260 343511518 /nfs/dbraw/zinc/51/15/18/343511518.db2.gz VSEFQNLISZEQQA-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CCC[N@H+]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000083961260 343511519 /nfs/dbraw/zinc/51/15/19/343511519.db2.gz VSEFQNLISZEQQA-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CC[C@H](C(=O)N(C)CC1CN(C)C1)[NH+](C)C ZINC000618192397 343584059 /nfs/dbraw/zinc/58/40/59/343584059.db2.gz MGLMSWUGFZDQDN-LLVKDONJSA-N 1 3 227.352 0.347 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000086068913 343609330 /nfs/dbraw/zinc/60/93/30/343609330.db2.gz ZNWDRCSIZMYHPB-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H](C)N1 ZINC000153807121 323053740 /nfs/dbraw/zinc/05/37/40/323053740.db2.gz XRIMRZDHSXSINJ-AOOOYVTPSA-N 1 3 225.336 0.195 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000309000698 346954110 /nfs/dbraw/zinc/95/41/10/346954110.db2.gz OAXLELRBKWJLJT-DTWKUNHWSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000309000700 346954290 /nfs/dbraw/zinc/95/42/90/346954290.db2.gz OAXLELRBKWJLJT-RKDXNWHRSA-N 1 3 201.314 0.357 20 0 BCADHO [NH3+]C1(CNC(=O)CNC2CC2)CCCCC1 ZINC000153904009 343706025 /nfs/dbraw/zinc/70/60/25/343706025.db2.gz JXHMBYRGSMNETK-UHFFFAOYSA-N 1 3 225.336 0.516 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)NC(C)(C)CN(C)C ZINC000418716919 192064203 /nfs/dbraw/zinc/06/42/03/192064203.db2.gz ZAMJVBCVOXRZEW-SNVBAGLBSA-N 1 3 244.383 0.753 20 0 BCADHO C[C@@H](NC(=O)N(C)CCN(C)C1CC1)[C@H](C)[NH3+] ZINC000418733001 192064898 /nfs/dbraw/zinc/06/48/98/192064898.db2.gz UZHFOIAZHWQZDB-VHSXEESVSA-N 1 3 242.367 0.458 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418731484 192065541 /nfs/dbraw/zinc/06/55/41/192065541.db2.gz SVYONPPIHKTRAJ-MNOVXSKESA-N 1 3 244.383 0.704 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(N)CCC1 ZINC000584231077 343776058 /nfs/dbraw/zinc/77/60/58/343776058.db2.gz WQTXTEVWBOZFLF-IUCAKERBSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(N)CC1 ZINC000262133548 349853031 /nfs/dbraw/zinc/85/30/31/349853031.db2.gz NBWWPAZRYQPODY-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(N)CC1 ZINC000262133548 349853033 /nfs/dbraw/zinc/85/30/33/349853033.db2.gz NBWWPAZRYQPODY-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C1(N)CC2(CCC2)C1 ZINC000621703227 343755947 /nfs/dbraw/zinc/75/59/47/343755947.db2.gz ASSHAPXNUXKERJ-VIFPVBQESA-N 1 3 225.336 0.502 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000584113029 343759548 /nfs/dbraw/zinc/75/95/48/343759548.db2.gz WYLMKWLFDBHHGR-VPOLOUISSA-N 1 3 243.326 0.320 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000309258581 347005849 /nfs/dbraw/zinc/00/58/49/347005849.db2.gz HEJFREQJIHBRDP-GUBZILKMSA-N 1 3 213.325 0.165 20 0 BCADHO Cc1cc(CN2CCC(O)(C[NH3+])CC2)ccn1 ZINC000621776471 343899514 /nfs/dbraw/zinc/89/95/14/343899514.db2.gz LZVIDOMRXFCNLJ-UHFFFAOYSA-N 1 3 235.331 0.676 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621784522 343909421 /nfs/dbraw/zinc/90/94/21/343909421.db2.gz QCKVXAZXQOHHMJ-YPMHNXCESA-N 1 3 239.363 0.668 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621784522 343909424 /nfs/dbraw/zinc/90/94/24/343909424.db2.gz QCKVXAZXQOHHMJ-YPMHNXCESA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)(N)C(=O)NCCC[NH+]1CCCCC1 ZINC000040920518 187355279 /nfs/dbraw/zinc/35/52/79/187355279.db2.gz CZLHWLWEBJVZMM-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)(CO)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000395122429 362257076 /nfs/dbraw/zinc/25/70/76/362257076.db2.gz VAOHJVNTXGIOKJ-GFCCVEGCSA-N 1 3 244.379 0.441 20 0 BCADHO C[C@H](CN1CCOCC1)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000570720937 323068498 /nfs/dbraw/zinc/06/84/98/323068498.db2.gz PTJHVCZYQCCSQN-AGIUHOORSA-N 1 3 241.379 0.376 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000130462817 344139989 /nfs/dbraw/zinc/13/99/89/344139989.db2.gz MFMWRGBUOGHKMY-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000130462817 344139990 /nfs/dbraw/zinc/13/99/90/344139990.db2.gz MFMWRGBUOGHKMY-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](N)CC ZINC000130583589 344150116 /nfs/dbraw/zinc/15/01/16/344150116.db2.gz RTWNMKYKXQZFHE-GHMZBOCLSA-N 1 3 245.367 0.197 20 0 BCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](N)CC ZINC000130583796 344150263 /nfs/dbraw/zinc/15/02/63/344150263.db2.gz RTWNMKYKXQZFHE-WDEREUQCSA-N 1 3 245.367 0.197 20 0 BCADHO CC[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000130628451 344151073 /nfs/dbraw/zinc/15/10/73/344151073.db2.gz NBTBOEDYFPPHEA-SECBINFHSA-N 1 3 213.325 0.230 20 0 BCADHO C[C@H]1C[C@@H](NCCOCCO)CC[N@@H+]1C ZINC000129749685 344214467 /nfs/dbraw/zinc/21/44/67/344214467.db2.gz SXKWBEVMVLZQQE-QWRGUYRKSA-N 1 3 216.325 0.068 20 0 BCADHO C[C@H]1C[C@@H](NCCOCCO)CC[N@H+]1C ZINC000129749685 344214470 /nfs/dbraw/zinc/21/44/70/344214470.db2.gz SXKWBEVMVLZQQE-QWRGUYRKSA-N 1 3 216.325 0.068 20 0 BCADHO CCCNC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403836 344216828 /nfs/dbraw/zinc/21/68/28/344216828.db2.gz VYGLIHCLUMJSHK-QWRGUYRKSA-N 1 3 227.352 0.762 20 0 BCADHO CCCNC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086403836 344216831 /nfs/dbraw/zinc/21/68/31/344216831.db2.gz VYGLIHCLUMJSHK-QWRGUYRKSA-N 1 3 227.352 0.762 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000622044769 344229433 /nfs/dbraw/zinc/22/94/33/344229433.db2.gz RXVFYYFFOCQRML-YNEHKIRRSA-N 1 3 239.363 0.714 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000622044769 344229435 /nfs/dbraw/zinc/22/94/35/344229435.db2.gz RXVFYYFFOCQRML-YNEHKIRRSA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000580324101 347037887 /nfs/dbraw/zinc/03/78/87/347037887.db2.gz ZCWXIKNHFYGPIF-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000131772551 344234974 /nfs/dbraw/zinc/23/49/74/344234974.db2.gz VXJJDAYUULWWAZ-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N(C)C ZINC000126877848 344186016 /nfs/dbraw/zinc/18/60/16/344186016.db2.gz ZQGMBXAAJMBCCZ-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N(C)C ZINC000126877848 344186018 /nfs/dbraw/zinc/18/60/18/344186018.db2.gz ZQGMBXAAJMBCCZ-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000084420104 344192043 /nfs/dbraw/zinc/19/20/43/344192043.db2.gz FLPDRTDYCUKPHJ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CC(C)C[C@H](CNC(=O)[C@H](C)N)[NH+](C)C ZINC000040831280 187289773 /nfs/dbraw/zinc/28/97/73/187289773.db2.gz MRYHWMRBNKOEGZ-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752452 344203534 /nfs/dbraw/zinc/20/35/34/344203534.db2.gz LZJZIXHUZJUCHB-MNOVXSKESA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752451 344203542 /nfs/dbraw/zinc/20/35/42/344203542.db2.gz LZJZIXHUZJUCHB-GHMZBOCLSA-N 1 3 241.379 0.864 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000634752547 344204797 /nfs/dbraw/zinc/20/47/97/344204797.db2.gz OCANSEVCARVEFY-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752817 344205451 /nfs/dbraw/zinc/20/54/51/344205451.db2.gz STWKFZLMZUFQAL-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CN1CCC(O)(C[NH2+][C@H]2CCCOC2)CC1 ZINC000336759948 537843632 /nfs/dbraw/zinc/84/36/32/537843632.db2.gz JJUCTXQABKYYMO-NSHDSACASA-N 1 3 228.336 0.212 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763827 344276088 /nfs/dbraw/zinc/27/60/88/344276088.db2.gz DQBUFHUHOPJHQQ-LLVKDONJSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N(C)C ZINC000634769841 344283864 /nfs/dbraw/zinc/28/38/64/344283864.db2.gz QBEGAZDLHGFAGM-MDZLAQPJSA-N 1 3 239.363 0.585 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769668 344284095 /nfs/dbraw/zinc/28/40/95/344284095.db2.gz JUHFSEKCCJSGHS-MFKMUULPSA-N 1 3 248.330 0.519 20 0 BCADHO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000093214316 344312507 /nfs/dbraw/zinc/31/25/07/344312507.db2.gz VDRMBFNVLZHHQU-POSLAHMBSA-N 1 3 239.363 0.890 20 0 BCADHO NC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000093214319 344312736 /nfs/dbraw/zinc/31/27/36/344312736.db2.gz VDRMBFNVLZHHQU-RUJICJSRSA-N 1 3 239.363 0.890 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CCCCC(=O)OC)C1 ZINC000600705370 344360242 /nfs/dbraw/zinc/36/02/42/344360242.db2.gz QUCFCEZESMXLLA-NSHDSACASA-N 1 3 228.336 0.871 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000381255796 344301595 /nfs/dbraw/zinc/30/15/95/344301595.db2.gz QTBBJVDEXQJTRT-UTLUCORTSA-N 1 3 215.341 0.459 20 0 BCADHO CCSCCN(C)CCOCC[NH2+]C ZINC000600729250 344364003 /nfs/dbraw/zinc/36/40/03/344364003.db2.gz UGMUCYDPPLPRHJ-UHFFFAOYSA-N 1 3 220.382 0.907 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092950579 344306619 /nfs/dbraw/zinc/30/66/19/344306619.db2.gz VLEHGQDIBFRTEJ-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000584290957 344425969 /nfs/dbraw/zinc/42/59/69/344425969.db2.gz QWPXOWASVWKJQR-VHSXEESVSA-N 1 3 245.392 0.325 20 0 BCADHO COC(=O)C1CCC([NH2+][C@@H]2CCNC2)CC1 ZINC000600770821 344371764 /nfs/dbraw/zinc/37/17/64/344371764.db2.gz GTOOFQMBDFBJGS-VQXHTEKXSA-N 1 3 226.320 0.670 20 0 BCADHO Cn1nccc1CC[N@H+](C)C1(CN)CCC1 ZINC000385324771 344394326 /nfs/dbraw/zinc/39/43/26/344394326.db2.gz JHCOTPUVQGMSRH-UHFFFAOYSA-N 1 3 222.336 0.776 20 0 BCADHO Cn1nccc1CC[N@@H+](C)C1(CN)CCC1 ZINC000385324771 344394327 /nfs/dbraw/zinc/39/43/27/344394327.db2.gz JHCOTPUVQGMSRH-UHFFFAOYSA-N 1 3 222.336 0.776 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000040920268 344410964 /nfs/dbraw/zinc/41/09/64/344410964.db2.gz GBITUVCHXRSXFZ-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)N ZINC000041680132 344439683 /nfs/dbraw/zinc/43/96/83/344439683.db2.gz IRNWBKDDDVLBLG-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000159055296 344506089 /nfs/dbraw/zinc/50/60/89/344506089.db2.gz BFWNHEJYUSAWNA-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000564941315 344474613 /nfs/dbraw/zinc/47/46/13/344474613.db2.gz QTKWEKVYQTZIDK-NSHDSACASA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577278357 344481688 /nfs/dbraw/zinc/48/16/88/344481688.db2.gz CPXXBLVDOCFUPG-HBNTYKKESA-N 1 3 225.336 0.038 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)CCC[NH3+] ZINC000036999101 344485289 /nfs/dbraw/zinc/48/52/89/344485289.db2.gz BOCFJBWCMUIDFP-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CN1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000037478284 344508836 /nfs/dbraw/zinc/50/88/36/344508836.db2.gz ZATOSJDZXREQNN-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000044751639 344546164 /nfs/dbraw/zinc/54/61/64/344546164.db2.gz YCOQXKBRRVFSGS-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO O=C([C@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000037812579 344591059 /nfs/dbraw/zinc/59/10/59/344591059.db2.gz AYEYRUHJTMUZHD-NWDGAFQWSA-N 1 3 237.347 0.293 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000237066440 344587960 /nfs/dbraw/zinc/58/79/60/344587960.db2.gz HIUDLVAMUBRFBU-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N(C)CCN(C)C1CC1 ZINC000641494347 362461023 /nfs/dbraw/zinc/46/10/23/362461023.db2.gz VIYVZTQLNMADID-VIFPVBQESA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000574276322 344730601 /nfs/dbraw/zinc/73/06/01/344730601.db2.gz VIOZYYCHYUPBMA-YIZRAAEISA-N 1 3 247.289 0.098 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753562 323077033 /nfs/dbraw/zinc/07/70/33/323077033.db2.gz RWBLPQSBCDCLIJ-WDEREUQCSA-N 1 3 223.324 0.528 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000390112492 259380312 /nfs/dbraw/zinc/38/03/12/259380312.db2.gz AZHIKPFXUUZFQL-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000578378971 344845367 /nfs/dbraw/zinc/84/53/67/344845367.db2.gz UVALXFQHESDPCV-WPRPVWTQSA-N 1 3 201.314 0.084 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088898 537872724 /nfs/dbraw/zinc/87/27/24/537872724.db2.gz DSCHOTQXZYPWIS-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088898 537872736 /nfs/dbraw/zinc/87/27/36/537872736.db2.gz DSCHOTQXZYPWIS-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CCOC[C@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000583435726 344953527 /nfs/dbraw/zinc/95/35/27/344953527.db2.gz BANBDQXLCUTXEV-VXGBXAGGSA-N 1 3 246.395 0.950 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCN(C)C ZINC000339236116 537877901 /nfs/dbraw/zinc/87/79/01/537877901.db2.gz QTSADADXOIBSIJ-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCCN(C)C ZINC000339236116 537877909 /nfs/dbraw/zinc/87/79/09/537877909.db2.gz QTSADADXOIBSIJ-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCN(C)C ZINC000339236115 537877929 /nfs/dbraw/zinc/87/79/29/537877929.db2.gz QTSADADXOIBSIJ-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCCN(C)C ZINC000339236115 537877941 /nfs/dbraw/zinc/87/79/41/537877941.db2.gz QTSADADXOIBSIJ-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455434 187297081 /nfs/dbraw/zinc/29/70/81/187297081.db2.gz BNWBCLOOZVWAIW-SRVKXCTJSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455434 187297082 /nfs/dbraw/zinc/29/70/82/187297082.db2.gz BNWBCLOOZVWAIW-SRVKXCTJSA-N 1 3 239.363 0.665 20 0 BCADHO COC[C@@H](CO)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000234887976 537881147 /nfs/dbraw/zinc/88/11/47/537881147.db2.gz OTSAFYPQXCVRRA-CMPLNLGQSA-N 1 3 230.352 0.314 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H]([NH3+])C[C@H]1C ZINC000583448481 344997141 /nfs/dbraw/zinc/99/71/41/344997141.db2.gz COGXHOPAOAEPLO-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)CC(F)F ZINC000574876631 345068070 /nfs/dbraw/zinc/06/80/70/345068070.db2.gz AASFQQRXFYKZDK-XHNCKOQMSA-N 1 3 249.305 0.697 20 0 BCADHO C[C@@]1(F)CNCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994624 345182517 /nfs/dbraw/zinc/18/25/17/345182517.db2.gz JCVZFYQYXJEVOL-MOENNCHZSA-N 1 3 227.327 0.372 20 0 BCADHO CC(C)[C@H](C[NH3+])CN1CCNC[C@@](C)(F)C1 ZINC000634994645 345182792 /nfs/dbraw/zinc/18/27/92/345182792.db2.gz JNDJIRRPBIIAGG-VXGBXAGGSA-N 1 3 231.359 0.851 20 0 BCADHO CN(C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635068068 345236622 /nfs/dbraw/zinc/23/66/22/345236622.db2.gz FVBMQYWTEOOFRA-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO C(N1CCN(C2CCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634993927 345192214 /nfs/dbraw/zinc/19/22/14/345192214.db2.gz KKFODCHESFWACP-UHFFFAOYSA-N 1 3 235.375 0.909 20 0 BCADHO CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000635004260 345207552 /nfs/dbraw/zinc/20/75/52/345207552.db2.gz NUMMRYONIFJZEE-UMSGYPCISA-N 1 3 244.379 0.879 20 0 BCADHO C[C@@H](CC(N)=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008133 345216118 /nfs/dbraw/zinc/21/61/18/345216118.db2.gz ZRPUATZASXFTKO-WCQYABFASA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635008133 345216123 /nfs/dbraw/zinc/21/61/23/345216123.db2.gz ZRPUATZASXFTKO-WCQYABFASA-N 1 3 249.358 0.800 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)CNC2CC2)cc1 ZINC000130985125 345290677 /nfs/dbraw/zinc/29/06/77/345290677.db2.gz HBJLYJXJPAULBZ-UHFFFAOYSA-N 1 3 219.288 0.836 20 0 BCADHO CC(C)[NH+]1CCC(N[C@@H]2CC[C@H]2O)CC1 ZINC000335247936 187303052 /nfs/dbraw/zinc/30/30/52/187303052.db2.gz FTKNPUCIJHSFCW-VXGBXAGGSA-N 1 3 212.337 0.972 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000494573460 323088663 /nfs/dbraw/zinc/08/86/63/323088663.db2.gz FZKVEFNSERDCMN-HBNTYKKESA-N 1 3 227.352 0.556 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CC1 ZINC000531357559 323088049 /nfs/dbraw/zinc/08/80/49/323088049.db2.gz BKQLWLTVWFCDMG-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO CN(C)Cc1ccc(C(=O)NCC[NH3+])cc1 ZINC000082262496 345499295 /nfs/dbraw/zinc/49/92/95/345499295.db2.gz VSDRLLNMINJYSN-UHFFFAOYSA-N 1 3 221.304 0.437 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000252852070 345588485 /nfs/dbraw/zinc/58/84/85/345588485.db2.gz IIMMJBYBGQKDOM-RCWTZXSCSA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000563109726 323092902 /nfs/dbraw/zinc/09/29/02/323092902.db2.gz KXGGNGCBFNLNNE-MWLCHTKSSA-N 1 3 221.304 0.192 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000146552498 345713981 /nfs/dbraw/zinc/71/39/81/345713981.db2.gz IHTAALPMXIMOJZ-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+]CCCN1CCNC[C@@H]1c1ccncc1 ZINC000196816059 345725339 /nfs/dbraw/zinc/72/53/39/345725339.db2.gz XTLPHSOXUBVUOQ-GFCCVEGCSA-N 1 3 220.320 0.377 20 0 BCADHO CCOC[C@@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000069278668 349943654 /nfs/dbraw/zinc/94/36/54/349943654.db2.gz ZNSGGQOKJAVCRC-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000069278668 349943659 /nfs/dbraw/zinc/94/36/59/349943659.db2.gz ZNSGGQOKJAVCRC-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000069277612 349943837 /nfs/dbraw/zinc/94/38/37/349943837.db2.gz UKEHDSLNGPQDTH-DGCLKSJQSA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069277612 349943842 /nfs/dbraw/zinc/94/38/42/349943842.db2.gz UKEHDSLNGPQDTH-DGCLKSJQSA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000069277612 349943845 /nfs/dbraw/zinc/94/38/45/349943845.db2.gz UKEHDSLNGPQDTH-DGCLKSJQSA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000069278656 349944057 /nfs/dbraw/zinc/94/40/57/349944057.db2.gz ZNSGGQOKJAVCRC-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000069278656 349944060 /nfs/dbraw/zinc/94/40/60/349944060.db2.gz ZNSGGQOKJAVCRC-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CN1CCC[C@@H](C[N@H+](C)C[C@H]2COCCO2)C1 ZINC000336676048 187320794 /nfs/dbraw/zinc/32/07/94/187320794.db2.gz ALPNGXUVNOPNEL-OLZOCXBDSA-N 1 3 242.363 0.675 20 0 BCADHO CN1CCC[C@@H](C[N@@H+](C)C[C@H]2COCCO2)C1 ZINC000336676048 187320796 /nfs/dbraw/zinc/32/07/96/187320796.db2.gz ALPNGXUVNOPNEL-OLZOCXBDSA-N 1 3 242.363 0.675 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC ZINC000300369623 346433107 /nfs/dbraw/zinc/43/31/07/346433107.db2.gz ZELRULRALFHVTO-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC ZINC000300369623 346433108 /nfs/dbraw/zinc/43/31/08/346433108.db2.gz ZELRULRALFHVTO-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396190 346434726 /nfs/dbraw/zinc/43/47/26/346434726.db2.gz BANGPYYPQDYHQL-UKKRHICBSA-N 1 3 232.393 0.958 20 0 BCADHO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CCc1cncn1C ZINC000641798781 362746942 /nfs/dbraw/zinc/74/69/42/362746942.db2.gz IFAFKIXQWMYOOP-MDZLAQPJSA-N 1 3 236.363 0.939 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCc1cncn1C ZINC000641798781 362746948 /nfs/dbraw/zinc/74/69/48/362746948.db2.gz IFAFKIXQWMYOOP-MDZLAQPJSA-N 1 3 236.363 0.939 20 0 BCADHO Cn1cncc1CC[N@H+](C)C1CCNCC1 ZINC000641797103 362741564 /nfs/dbraw/zinc/74/15/64/362741564.db2.gz UKTZHWJOANVWKM-UHFFFAOYSA-N 1 3 222.336 0.646 20 0 BCADHO Cn1cncc1CC[N@@H+](C)C1CCNCC1 ZINC000641797103 362741567 /nfs/dbraw/zinc/74/15/67/362741567.db2.gz UKTZHWJOANVWKM-UHFFFAOYSA-N 1 3 222.336 0.646 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236834166 535048127 /nfs/dbraw/zinc/04/81/27/535048127.db2.gz MDEWQBWIQWUSTB-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342714052 535049638 /nfs/dbraw/zinc/04/96/38/535049638.db2.gz OOJADTDXJXTTOW-YFKTTZPYSA-N 1 3 239.363 0.556 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOC1CCOCC1 ZINC000641801724 362756532 /nfs/dbraw/zinc/75/65/32/362756532.db2.gz UBCPUSCYFJOTHC-RYUDHWBXSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000641801724 362756538 /nfs/dbraw/zinc/75/65/38/362756538.db2.gz UBCPUSCYFJOTHC-RYUDHWBXSA-N 1 3 242.363 0.897 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186868961 346541721 /nfs/dbraw/zinc/54/17/21/346541721.db2.gz KOGRTRQZDRGLRK-LPEHRKFASA-N 1 3 245.392 0.181 20 0 BCADHO CC[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000580201527 346658373 /nfs/dbraw/zinc/65/83/73/346658373.db2.gz RNGJJBOMJXRWFV-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000577176304 365858939 /nfs/dbraw/zinc/85/89/39/365858939.db2.gz QORMNSQQCKXPAQ-CYBMUJFWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1CCCNC1 ZINC000251834215 133647739 /nfs/dbraw/zinc/64/77/39/133647739.db2.gz NQBDEPUFWOLEAX-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1CCCNC1 ZINC000251834215 133647740 /nfs/dbraw/zinc/64/77/40/133647740.db2.gz NQBDEPUFWOLEAX-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000310534191 347291202 /nfs/dbraw/zinc/29/12/02/347291202.db2.gz OVHXVHNEFPGVMQ-GFCCVEGCSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C)C(C)(C)C1 ZINC000310534191 347291204 /nfs/dbraw/zinc/29/12/04/347291204.db2.gz OVHXVHNEFPGVMQ-GFCCVEGCSA-N 1 3 243.395 0.325 20 0 BCADHO CC[C@@H](O)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000115739209 347254218 /nfs/dbraw/zinc/25/42/18/347254218.db2.gz DDHJVNVMDLZAAK-CYBMUJFWSA-N 1 3 244.379 0.536 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C ZINC000571401968 323143621 /nfs/dbraw/zinc/14/36/21/323143621.db2.gz CMHDVRFFDQYHHM-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H](C)N ZINC000019519783 347339173 /nfs/dbraw/zinc/33/91/73/347339173.db2.gz NEQZUXINMHLDOE-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000571432003 323144593 /nfs/dbraw/zinc/14/45/93/323144593.db2.gz AHHOAZOIXUCMHU-NXEZZACHSA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@@H](C(=O)NCC1([NH3+])CCC1)N(C)C ZINC000390673398 347422104 /nfs/dbraw/zinc/42/21/04/347422104.db2.gz WEUUTPTVIBLJQL-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](C)NC1CC1 ZINC000382963404 347510210 /nfs/dbraw/zinc/51/02/10/347510210.db2.gz PIBOIJFUOWLPOI-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000591430094 347655302 /nfs/dbraw/zinc/65/53/02/347655302.db2.gz XTCXSEATEJXJQT-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000591430094 347655304 /nfs/dbraw/zinc/65/53/04/347655304.db2.gz XTCXSEATEJXJQT-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)[C@H](C)[NH3+] ZINC000252882378 347670376 /nfs/dbraw/zinc/67/03/76/347670376.db2.gz ZJTBOPNSRAYPRX-UTLUCORTSA-N 1 3 225.336 0.323 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000592336457 347768532 /nfs/dbraw/zinc/76/85/32/347768532.db2.gz AMNSGPKHYBJIMQ-VHSXEESVSA-N 1 3 247.408 0.701 20 0 BCADHO COC(=O)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000594581088 348076427 /nfs/dbraw/zinc/07/64/27/348076427.db2.gz MUZSYEACLYLUIH-NXEZZACHSA-N 1 3 226.320 0.799 20 0 BCADHO COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCCC[NH+](C)C ZINC000594920699 348155186 /nfs/dbraw/zinc/15/51/86/348155186.db2.gz HHGBHLGVLBTNMV-OUAUKWLOSA-N 1 3 228.336 0.725 20 0 BCADHO COC(=O)CC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595508359 348265023 /nfs/dbraw/zinc/26/50/23/348265023.db2.gz WDZPDTYPXQCSAE-ZDUSSCGKSA-N 1 3 240.347 0.967 20 0 BCADHO COC(=O)CC[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595508359 348265025 /nfs/dbraw/zinc/26/50/25/348265025.db2.gz WDZPDTYPXQCSAE-ZDUSSCGKSA-N 1 3 240.347 0.967 20 0 BCADHO CSCC[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934550 348393560 /nfs/dbraw/zinc/39/35/60/348393560.db2.gz OHNYDKPMKHAULV-QMMMGPOBSA-N 1 3 233.381 0.263 20 0 BCADHO CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595903547 348395084 /nfs/dbraw/zinc/39/50/84/348395084.db2.gz XYCZOJFDQANUNB-GARJFASQSA-N 1 3 225.336 0.275 20 0 BCADHO CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595903547 348395086 /nfs/dbraw/zinc/39/50/86/348395086.db2.gz XYCZOJFDQANUNB-GARJFASQSA-N 1 3 225.336 0.275 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000070318090 323186521 /nfs/dbraw/zinc/18/65/21/323186521.db2.gz OLNPJNCRIZTQQD-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO CCN(C)CCNC(=O)CC[NH2+]C(C)C ZINC000054133337 348892594 /nfs/dbraw/zinc/89/25/94/348892594.db2.gz VYMRXFRUDAAORK-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000054075528 348877616 /nfs/dbraw/zinc/87/76/16/348877616.db2.gz QKUSVPAYMOYZEB-NSHDSACASA-N 1 3 229.368 0.641 20 0 BCADHO CCN1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000054075698 348878010 /nfs/dbraw/zinc/87/80/10/348878010.db2.gz GFICQDRVHIDPGC-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513900 362939984 /nfs/dbraw/zinc/93/99/84/362939984.db2.gz QYEDQRUGOSRFEM-VXGBXAGGSA-N 1 3 244.379 0.846 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513900 362939979 /nfs/dbraw/zinc/93/99/79/362939979.db2.gz QYEDQRUGOSRFEM-VXGBXAGGSA-N 1 3 244.379 0.846 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)NC)C1 ZINC000250340516 349169665 /nfs/dbraw/zinc/16/96/65/349169665.db2.gz PRYYJHYAMLSLIS-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)NC)C1 ZINC000250340516 349169668 /nfs/dbraw/zinc/16/96/68/349169668.db2.gz PRYYJHYAMLSLIS-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000250400877 349171065 /nfs/dbraw/zinc/17/10/65/349171065.db2.gz SKLUKIFSVJSGGH-JHJVBQTASA-N 1 3 240.395 0.092 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252616024 349207851 /nfs/dbraw/zinc/20/78/51/349207851.db2.gz ZMTSMNAXMBASTK-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000252123949 349196719 /nfs/dbraw/zinc/19/67/19/349196719.db2.gz LEAFDMPDRAXVEF-BJDJZHNGSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N1CCCC1 ZINC000252479096 349203533 /nfs/dbraw/zinc/20/35/33/349203533.db2.gz HHHXWCPKIHXIST-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@H]2COCCN2)[C@H](C)C1 ZINC000530226750 323219582 /nfs/dbraw/zinc/21/95/82/323219582.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H]2COCCN2)[C@H](C)C1 ZINC000530226750 323219584 /nfs/dbraw/zinc/21/95/84/323219584.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H]2COCCN2)[C@H](C)C1 ZINC000530226750 323219585 /nfs/dbraw/zinc/21/95/85/323219585.db2.gz YJPXLLTZNBGHFW-AGIUHOORSA-N 1 3 241.379 0.295 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000567831500 349307044 /nfs/dbraw/zinc/30/70/44/349307044.db2.gz CDDOWXCQNWRSGD-NHCYSSNCSA-N 1 3 227.352 0.700 20 0 BCADHO NC[C@@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000061612673 349376325 /nfs/dbraw/zinc/37/63/25/349376325.db2.gz TYKCCZBZSYSISV-LLVKDONJSA-N 1 3 221.304 0.194 20 0 BCADHO N#Cc1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000397008501 350042249 /nfs/dbraw/zinc/04/22/49/350042249.db2.gz CYUMLYCFOLAYNT-UHFFFAOYSA-N 1 3 245.326 0.844 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2COCCN2C)CC1 ZINC000624171691 350052096 /nfs/dbraw/zinc/05/20/96/350052096.db2.gz AQLUPQFWGXQCMO-CYBMUJFWSA-N 1 3 241.379 0.391 20 0 BCADHO CC[C@H]1CN(CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251723020 538052111 /nfs/dbraw/zinc/05/21/11/538052111.db2.gz KBVOTZRKVWBDBI-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422740215 192449110 /nfs/dbraw/zinc/44/91/10/192449110.db2.gz BCFQGCDJZBLEHL-MNOVXSKESA-N 1 3 239.363 0.749 20 0 BCADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236648025 191059887 /nfs/dbraw/zinc/05/98/87/191059887.db2.gz FNKZGGQGDWXPEG-NSHDSACASA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236716445 191060584 /nfs/dbraw/zinc/06/05/84/191060584.db2.gz FZKVEFNSERDCMN-AXFHLTTASA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000427565299 191082261 /nfs/dbraw/zinc/08/22/61/191082261.db2.gz NDTDFJYDKSSMBD-TUAOUCFPSA-N 1 3 241.379 0.687 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427604380 191083678 /nfs/dbraw/zinc/08/36/78/191083678.db2.gz PBJYPOAVNGOWLW-VWYCJHECSA-N 1 3 227.352 0.618 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427592102 191083080 /nfs/dbraw/zinc/08/30/80/191083080.db2.gz OEWGEERCHIWCRA-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309258579 350242720 /nfs/dbraw/zinc/24/27/20/350242720.db2.gz HEJFREQJIHBRDP-BBBLOLIVSA-N 1 3 213.325 0.165 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N(CC)CC ZINC000428207150 191091916 /nfs/dbraw/zinc/09/19/16/191091916.db2.gz UTVUPKFVPSRNTB-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)CNC1CC1 ZINC000309366404 350354119 /nfs/dbraw/zinc/35/41/19/350354119.db2.gz BHUPTVIRUKNNGE-SECBINFHSA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)C1(C)C[NH2+]C1 ZINC000399490443 323335940 /nfs/dbraw/zinc/33/59/40/323335940.db2.gz SXZVASLZTRDVRJ-LLVKDONJSA-N 1 3 241.379 0.688 20 0 BCADHO COCC[C@H](COC)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000309346269 323344859 /nfs/dbraw/zinc/34/48/59/323344859.db2.gz MGWHAXDDANLPHV-QJPTWQEYSA-N 1 3 230.352 0.897 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC[NH2+]C1CC1 ZINC000637339554 350465713 /nfs/dbraw/zinc/46/57/13/350465713.db2.gz JMKKFIQEVWJAJJ-VHSXEESVSA-N 1 3 240.351 0.130 20 0 BCADHO CO[C@@H](CN)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000227342157 350493109 /nfs/dbraw/zinc/49/31/09/350493109.db2.gz BMIURSXBTCFJLF-NSHDSACASA-N 1 3 245.367 0.195 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCSCC2)C1 ZINC000230931754 350609729 /nfs/dbraw/zinc/60/97/29/350609729.db2.gz GSFYNXLOQXYGMN-VXGBXAGGSA-N 1 3 243.420 0.895 20 0 BCADHO C[NH+](C)C1(CNCCC(N)=O)CCCCC1 ZINC000309501438 350615715 /nfs/dbraw/zinc/61/57/15/350615715.db2.gz ZVAIYZWCFLEBCJ-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCCO1 ZINC000346608333 365990358 /nfs/dbraw/zinc/99/03/58/365990358.db2.gz PKCKBXKGXMWLQS-NEPJUHHUSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237472497 350750451 /nfs/dbraw/zinc/75/04/51/350750451.db2.gz COHZOHIZHCXMBH-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407796 350831242 /nfs/dbraw/zinc/83/12/42/350831242.db2.gz WPGRRXZDIPPUFG-SDDRHHMPSA-N 1 3 226.364 0.887 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407796 350831244 /nfs/dbraw/zinc/83/12/44/350831244.db2.gz WPGRRXZDIPPUFG-SDDRHHMPSA-N 1 3 226.364 0.887 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000571402551 350974524 /nfs/dbraw/zinc/97/45/24/350974524.db2.gz RFRSUKMKCCNZCR-SDDRHHMPSA-N 1 3 239.363 0.809 20 0 BCADHO CNC(=O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000398309994 351024088 /nfs/dbraw/zinc/02/40/88/351024088.db2.gz XHDGAHLFBDFAAK-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO CC[C@H](C(=O)N1CCNC[C@H]1C)[NH+](C)C ZINC000637817746 351662492 /nfs/dbraw/zinc/66/24/92/351662492.db2.gz BSCWUPONFQOUHX-NXEZZACHSA-N 1 3 213.325 0.147 20 0 BCADHO CN(CC(=O)N1CCC[C@@H]([NH3+])C1)CC(C)(C)C ZINC000637797116 351624147 /nfs/dbraw/zinc/62/41/47/351624147.db2.gz JUROTPGFVZDDED-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CN(CC(=O)N1CCC([NH3+])CC1)CC(C)(C)C ZINC000637797428 351629910 /nfs/dbraw/zinc/62/99/10/351629910.db2.gz BBWOIFOEGCFLLR-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000637835286 351686303 /nfs/dbraw/zinc/68/63/03/351686303.db2.gz GFWRTJXSKUKRBH-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000637836144 351687517 /nfs/dbraw/zinc/68/75/17/351687517.db2.gz SNZHTIPVEMPQMC-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO CCN[C@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834601 351688966 /nfs/dbraw/zinc/68/89/66/351688966.db2.gz YICNFYWZAJZFGV-ZJUUUORDSA-N 1 3 213.325 0.100 20 0 BCADHO CN(CC(=O)N(C)[C@H]1CC[NH2+]C1)CC(C)(C)C ZINC000637837672 351692192 /nfs/dbraw/zinc/69/21/92/351692192.db2.gz KOGISZQQLDCYDP-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838796 351694069 /nfs/dbraw/zinc/69/40/69/351694069.db2.gz CGAYZHVROINPLE-AEJSXWLSSA-N 1 3 213.325 0.193 20 0 BCADHO CN(CC(=O)N1CC[C@H](C[NH3+])C1)CC(C)(C)C ZINC000637822330 351666696 /nfs/dbraw/zinc/66/66/96/351666696.db2.gz JUOJPRLKISPTAN-LLVKDONJSA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000637857180 351716846 /nfs/dbraw/zinc/71/68/46/351716846.db2.gz NCLDBXZQRXDCKW-SECBINFHSA-N 1 3 215.341 0.603 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCNCC1(C)C ZINC000637857597 351718153 /nfs/dbraw/zinc/71/81/53/351718153.db2.gz RIZUAZURFQASIW-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CCC(C)C ZINC000637861300 351722157 /nfs/dbraw/zinc/72/21/57/351722157.db2.gz FBZPXJLQSCRBQA-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CCC(C)C ZINC000637861302 351722286 /nfs/dbraw/zinc/72/22/86/351722286.db2.gz FBZPXJLQSCRBQA-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CO[C@]1(C[NH+]2CCC(N(C)C)CC2)CCOC1 ZINC000637928009 351803361 /nfs/dbraw/zinc/80/33/61/351803361.db2.gz SBECTMXDIVRIAM-ZDUSSCGKSA-N 1 3 242.363 0.818 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049844 351927591 /nfs/dbraw/zinc/92/75/91/351927591.db2.gz OZHWCLXCMMLBGU-VXGBXAGGSA-N 1 3 237.347 0.634 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)NCCN2CCCCC2)C1 ZINC000638055966 351931960 /nfs/dbraw/zinc/93/19/60/351931960.db2.gz VHIQUGIZDDQNTQ-LBPRGKRZSA-N 1 3 237.347 0.636 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000638056942 351932854 /nfs/dbraw/zinc/93/28/54/351932854.db2.gz SEZXIWVWKALMEE-NSHDSACASA-N 1 3 249.358 0.777 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000638068042 351937697 /nfs/dbraw/zinc/93/76/97/351937697.db2.gz ALQOGZUEHHGHME-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638072547 351945016 /nfs/dbraw/zinc/94/50/16/351945016.db2.gz NXAWVUQVRHMDDN-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638072547 351945019 /nfs/dbraw/zinc/94/50/19/351945019.db2.gz NXAWVUQVRHMDDN-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000638075242 351946843 /nfs/dbraw/zinc/94/68/43/351946843.db2.gz DAMYKDZEXGMUMD-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638076334 351949765 /nfs/dbraw/zinc/94/97/65/351949765.db2.gz KKWDNYZVQARALJ-WDEREUQCSA-N 1 3 223.320 0.244 20 0 BCADHO CN1CCC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638077838 351951122 /nfs/dbraw/zinc/95/11/22/351951122.db2.gz BHBRBMHFGPZHKT-MNOVXSKESA-N 1 3 223.320 0.244 20 0 BCADHO CN1CCC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638079311 351954456 /nfs/dbraw/zinc/95/44/56/351954456.db2.gz RWHOCNPNNKGSJW-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000638082000 351955599 /nfs/dbraw/zinc/95/55/99/351955599.db2.gz RPUDUBBZLCHYJQ-MNOVXSKESA-N 1 3 235.331 0.387 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000638150053 352011076 /nfs/dbraw/zinc/01/10/76/352011076.db2.gz VHXQCAUXYQDIDD-SRVKXCTJSA-N 1 3 241.379 0.946 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638086692 351963988 /nfs/dbraw/zinc/96/39/88/351963988.db2.gz UMSZVIQSYHQWDI-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO CCCCN(C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638091088 351967642 /nfs/dbraw/zinc/96/76/42/351967642.db2.gz PNSDPCZBPVLAJP-LBPRGKRZSA-N 1 3 239.363 0.882 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000638093137 351971582 /nfs/dbraw/zinc/97/15/82/351971582.db2.gz BOOVQHQVJWTNCV-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000638151190 352012145 /nfs/dbraw/zinc/01/21/45/352012145.db2.gz ARZPSVKDWWVJQL-QWRGUYRKSA-N 1 3 227.352 0.603 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN(CC)C1CC1 ZINC000638096959 351976665 /nfs/dbraw/zinc/97/66/65/351976665.db2.gz ONMBQBOCBRPXGD-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000638100611 351980688 /nfs/dbraw/zinc/98/06/88/351980688.db2.gz LNQBVLCPCHTVNF-ZYHUDNBSSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638127661 351999161 /nfs/dbraw/zinc/99/91/61/351999161.db2.gz XEVBAFJIMOLIGD-JQWIXIFHSA-N 1 3 237.347 0.492 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000638133518 352000704 /nfs/dbraw/zinc/00/07/04/352000704.db2.gz IIGXRRQEFNXQPG-UMNHJUIQSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638134478 352002664 /nfs/dbraw/zinc/00/26/64/352002664.db2.gz NODKZHRWUAEHRF-XWIASGKRSA-N 1 3 249.358 0.633 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000638136337 352003039 /nfs/dbraw/zinc/00/30/39/352003039.db2.gz YDEJZEDFWCVKEW-MXWKQRLJSA-N 1 3 239.363 0.726 20 0 BCADHO CC[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N(C)C ZINC000638139016 352005143 /nfs/dbraw/zinc/00/51/43/352005143.db2.gz RYULSHCFWYMGOL-VXGBXAGGSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)N(C)C ZINC000638139011 352005197 /nfs/dbraw/zinc/00/51/97/352005197.db2.gz RYULSHCFWYMGOL-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000638194855 352057077 /nfs/dbraw/zinc/05/70/77/352057077.db2.gz JZINNDFBCQYJRL-JTQLQIEISA-N 1 3 247.342 0.904 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000638197215 352059705 /nfs/dbraw/zinc/05/97/05/352059705.db2.gz VSOGGCGHWPDCQS-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638199097 352062650 /nfs/dbraw/zinc/06/26/50/352062650.db2.gz HCNOWGWUWFHSOV-UWVGGRQHSA-N 1 3 236.319 0.647 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638203583 352064805 /nfs/dbraw/zinc/06/48/05/352064805.db2.gz GDIFDMNWSQRAFY-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1NCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC000638203582 352065214 /nfs/dbraw/zinc/06/52/14/352065214.db2.gz GDIFDMNWSQRAFY-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638201367 352065699 /nfs/dbraw/zinc/06/56/99/352065699.db2.gz VQVNYHHWNZKBDX-BBBLOLIVSA-N 1 3 213.325 0.371 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000638201388 352065826 /nfs/dbraw/zinc/06/58/26/352065826.db2.gz VQVNYHHWNZKBDX-UTLUCORTSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@H](C(=O)N1CCN[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000638205595 352067471 /nfs/dbraw/zinc/06/74/71/352067471.db2.gz IMDBGFYVUKRMFP-GARJFASQSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638208926 352071666 /nfs/dbraw/zinc/07/16/66/352071666.db2.gz WVXPZRXRUGVZBX-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638208928 352071742 /nfs/dbraw/zinc/07/17/42/352071742.db2.gz WVXPZRXRUGVZBX-WOPDTQHZSA-N 1 3 241.379 0.959 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000638156098 352018903 /nfs/dbraw/zinc/01/89/03/352018903.db2.gz GTFPNXGHQSDASN-IVZWLZJFSA-N 1 3 213.325 0.193 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000638156061 352019049 /nfs/dbraw/zinc/01/90/49/352019049.db2.gz RGEPXZXLZWDCDE-VIFPVBQESA-N 1 3 248.330 0.664 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638156100 352019059 /nfs/dbraw/zinc/01/90/59/352019059.db2.gz GTFPNXGHQSDASN-LPEHRKFASA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)NC[C@H]1C)[NH+](C)C ZINC000638157979 352022094 /nfs/dbraw/zinc/02/20/94/352022094.db2.gz NMKACZUHXLBWTA-GMTAPVOTSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638158030 352025595 /nfs/dbraw/zinc/02/55/95/352025595.db2.gz NYHPJJBRTAPWEH-WOPDTQHZSA-N 1 3 241.379 0.959 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000638286879 352122960 /nfs/dbraw/zinc/12/29/60/352122960.db2.gz RULUXXFDWGXKPQ-UTUOFQBUSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000638287975 352124480 /nfs/dbraw/zinc/12/44/80/352124480.db2.gz YOFFKZQAVDHQRA-QJPTWQEYSA-N 1 3 241.379 0.783 20 0 BCADHO CO[C@H](CNCCC[NH+](C)C)C1CCOCC1 ZINC000638288967 352127019 /nfs/dbraw/zinc/12/70/19/352127019.db2.gz HIYAKYATOZPEFA-CYBMUJFWSA-N 1 3 244.379 0.969 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638303402 352133175 /nfs/dbraw/zinc/13/31/75/352133175.db2.gz FLRTYHOAKPMOQU-NSHDSACASA-N 1 3 237.347 0.587 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000638256080 352102961 /nfs/dbraw/zinc/10/29/61/352102961.db2.gz OQZSHWDNFHYLPF-SSDOTTSWSA-N 1 3 246.261 0.359 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000638256084 352103166 /nfs/dbraw/zinc/10/31/66/352103166.db2.gz OQZSHWDNFHYLPF-ZETCQYMHSA-N 1 3 246.261 0.359 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CCC(C)C ZINC000638260248 352104289 /nfs/dbraw/zinc/10/42/89/352104289.db2.gz XJXDGNQKPACVCJ-NXEZZACHSA-N 1 3 215.341 0.603 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000638266657 352106341 /nfs/dbraw/zinc/10/63/41/352106341.db2.gz CYICSTONCBYGTH-TUAOUCFPSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000638266659 352106653 /nfs/dbraw/zinc/10/66/53/352106653.db2.gz CYICSTONCBYGTH-WOPDTQHZSA-N 1 3 241.379 0.994 20 0 BCADHO CC1(C)CN(C(=O)CCC2C[NH2+]C2)CCN1 ZINC000638271675 352109575 /nfs/dbraw/zinc/10/95/75/352109575.db2.gz ZMIBLDFNADJACJ-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638335797 352154635 /nfs/dbraw/zinc/15/46/35/352154635.db2.gz UKVOTQINROCMNS-GARJFASQSA-N 1 3 227.352 0.698 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CCC(C)C ZINC000638345833 352165023 /nfs/dbraw/zinc/16/50/23/352165023.db2.gz FFZPVUMZOUKUGO-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000638365410 352176297 /nfs/dbraw/zinc/17/62/97/352176297.db2.gz ZWQDLHHETOSIGG-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C1CC1 ZINC000638375508 352185068 /nfs/dbraw/zinc/18/50/68/352185068.db2.gz ZDXIWGPYZIFUAV-UHFFFAOYSA-N 1 3 236.319 0.519 20 0 BCADHO CCCN(CCN(C)C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638376305 352186376 /nfs/dbraw/zinc/18/63/76/352186376.db2.gz JKVRWXDFTBCWTJ-LBPRGKRZSA-N 1 3 239.363 0.834 20 0 BCADHO CCN1CC[C@H](C[NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000638381360 352193039 /nfs/dbraw/zinc/19/30/39/352193039.db2.gz KWPVDBAMIUAMSU-OLZOCXBDSA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC[C@@]2(OC)CCOC2)C1 ZINC000638381360 352193041 /nfs/dbraw/zinc/19/30/41/352193041.db2.gz KWPVDBAMIUAMSU-OLZOCXBDSA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@H+]1CC[C@H](CNC[C@@]2(OC)CCOC2)C1 ZINC000638381360 352193042 /nfs/dbraw/zinc/19/30/42/352193042.db2.gz KWPVDBAMIUAMSU-OLZOCXBDSA-N 1 3 242.363 0.723 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C)N(C)C ZINC000638429785 352237807 /nfs/dbraw/zinc/23/78/07/352237807.db2.gz AEGZERPQHNKAOH-IUCAKERBSA-N 1 3 201.314 0.051 20 0 BCADHO CC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000219372004 363134672 /nfs/dbraw/zinc/13/46/72/363134672.db2.gz WNDHGJBZHXQZDZ-HBNTYKKESA-N 1 3 200.326 0.864 20 0 BCADHO NC1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000638499885 352319095 /nfs/dbraw/zinc/31/90/95/352319095.db2.gz SKMZUGQGCXOYLC-JTQLQIEISA-N 1 3 237.347 0.659 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499588 352319548 /nfs/dbraw/zinc/31/95/48/352319548.db2.gz QWTZRBVLKHUZAL-CMPLNLGQSA-N 1 3 239.363 0.905 20 0 BCADHO CC[C@H](C(=O)N(CC)CC[NH3+])N(C)C ZINC000638511953 352335739 /nfs/dbraw/zinc/33/57/39/352335739.db2.gz CVKTZLBKYACGCK-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO N[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511410 352336291 /nfs/dbraw/zinc/33/62/91/352336291.db2.gz OXCNROCGGVKTSG-GHMZBOCLSA-N 1 3 237.347 0.515 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513602 352339152 /nfs/dbraw/zinc/33/91/52/352339152.db2.gz NQVDGRNZGKZJAZ-VHSXEESVSA-N 1 3 225.336 0.385 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H](CN)c1ccccc1 ZINC000638522649 352355925 /nfs/dbraw/zinc/35/59/25/352355925.db2.gz MCSNNUIAGRWEBA-LBPRGKRZSA-N 1 3 235.331 0.536 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H]1CNCc2ccccc21 ZINC000638515604 352344556 /nfs/dbraw/zinc/34/45/56/352344556.db2.gz AHFUWNLESHFIPV-CYBMUJFWSA-N 1 3 247.342 0.681 20 0 BCADHO CCN(CC[NH3+])C(=O)C[C@H](N)c1ccccc1 ZINC000638517645 352348311 /nfs/dbraw/zinc/34/83/11/352348311.db2.gz YBNHTNNUTBBDEW-LBPRGKRZSA-N 1 3 235.331 0.884 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN1C)[C@@H](C)[NH3+] ZINC000638528505 352361825 /nfs/dbraw/zinc/36/18/25/352361825.db2.gz KCBGKNDBRBCNHM-IJLUTSLNSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000638528885 352361964 /nfs/dbraw/zinc/36/19/64/352361964.db2.gz VOXBXTADWROICB-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000638528302 352362985 /nfs/dbraw/zinc/36/29/85/352362985.db2.gz DWKWFORBWOYJLU-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567465 352394605 /nfs/dbraw/zinc/39/46/05/352394605.db2.gz MMOVSVRZYJCIMG-HOSYDEDBSA-N 1 3 227.352 0.761 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H](N)CC(C)C ZINC000638522919 352357498 /nfs/dbraw/zinc/35/74/98/352357498.db2.gz VDYHBAAAYQKHKB-VIFPVBQESA-N 1 3 201.314 0.167 20 0 BCADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000638586529 352415282 /nfs/dbraw/zinc/41/52/82/352415282.db2.gz SCLXKJNPECTLMG-SNVBAGLBSA-N 1 3 245.367 0.054 20 0 BCADHO C[NH2+]CCOCCN(C)C(=O)[C@@H](N)CC(C)C ZINC000638586600 352416539 /nfs/dbraw/zinc/41/65/39/352416539.db2.gz UUBWRYTXENDKEF-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO C[NH2+]CCOCCN(C)C(=O)[C@H](N)CC(C)C ZINC000638586598 352416639 /nfs/dbraw/zinc/41/66/39/352416639.db2.gz UUBWRYTXENDKEF-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000638641185 352483216 /nfs/dbraw/zinc/48/32/16/352483216.db2.gz DGDAFGOTEZSABI-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643907 352486033 /nfs/dbraw/zinc/48/60/33/352486033.db2.gz NEBOGDGGOBIUDU-MMWGEVLESA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CC(F)F)C[NH2+]1 ZINC000638643626 352486089 /nfs/dbraw/zinc/48/60/89/352486089.db2.gz MQDAEZCKOBFLEO-CSMHCCOUSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)C2CCN(C)CC2)C[NH2+]1 ZINC000638644880 352488530 /nfs/dbraw/zinc/48/85/30/352488530.db2.gz IRHJYBMYJGUHCU-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H]2NCC2(C)C)C[NH2+]1 ZINC000638645692 352489540 /nfs/dbraw/zinc/48/95/40/352489540.db2.gz WRFOUWOVCVSEJZ-UTLUCORTSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)C2(N)CCC2)C[NH2+]1 ZINC000638646047 352489823 /nfs/dbraw/zinc/48/98/23/352489823.db2.gz XLLXBDHLXYMZLN-IUCAKERBSA-N 1 3 211.309 0.125 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653911 352496584 /nfs/dbraw/zinc/49/65/84/352496584.db2.gz IQTWELHZXCQJBK-UMNHJUIQSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)C2(N)CCCCC2)C[NH2+]1 ZINC000638655882 352498508 /nfs/dbraw/zinc/49/85/08/352498508.db2.gz RSAQKNYSHHTWNX-MNOVXSKESA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCCOCCC[NH3+] ZINC000638664123 352506088 /nfs/dbraw/zinc/50/60/88/352506088.db2.gz QSMNGNKOVVSMRY-LLVKDONJSA-N 1 3 245.367 0.232 20 0 BCADHO CN(CCOCC[NH3+])C(=O)C1(N)CCCCC1 ZINC000638680420 352518877 /nfs/dbraw/zinc/51/88/77/352518877.db2.gz PWSPONSQECVBNW-UHFFFAOYSA-N 1 3 243.351 0.082 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638727834 352586263 /nfs/dbraw/zinc/58/62/63/352586263.db2.gz MIXXRJFRFQAWAM-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)C(C)(C)[NH3+] ZINC000040921030 352599900 /nfs/dbraw/zinc/59/99/00/352599900.db2.gz NSRKSUHUOSDFSN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000041680055 352615900 /nfs/dbraw/zinc/61/59/00/352615900.db2.gz CBPGIOGPKTVYAA-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514414 352653807 /nfs/dbraw/zinc/65/38/07/352653807.db2.gz MSRJWOZMLCSYIG-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCCCC1 ZINC000044806756 352657436 /nfs/dbraw/zinc/65/74/36/352657436.db2.gz SFMPOWSGAZSAOW-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638765234 352703936 /nfs/dbraw/zinc/70/39/36/352703936.db2.gz FFHMSRJNFWHHNA-IONNQARKSA-N 1 3 222.292 0.127 20 0 BCADHO C[C@@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803095 352975988 /nfs/dbraw/zinc/97/59/88/352975988.db2.gz DXXVRDHSNLOJIY-MRVPVSSYSA-N 1 3 235.287 0.218 20 0 BCADHO CC[NH+]1CCC(NCCC(=O)N(C)C)CC1 ZINC000037503198 358473770 /nfs/dbraw/zinc/47/37/70/358473770.db2.gz NVYHKTXYEGXTST-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638841973 353018100 /nfs/dbraw/zinc/01/81/00/353018100.db2.gz IFWKTIKVMQDNAA-SECBINFHSA-N 1 3 233.315 0.296 20 0 BCADHO CO[C@@]1(C[NH2+]CC2=CCN(C)CC2)CCOC1 ZINC000638838535 353023325 /nfs/dbraw/zinc/02/33/25/353023325.db2.gz LCXOIITYJMCSRK-CYBMUJFWSA-N 1 3 240.347 0.643 20 0 BCADHO CC1([NH+]2CCCC2)CCN(C(=O)CN)CC1 ZINC000638860152 353035997 /nfs/dbraw/zinc/03/59/97/353035997.db2.gz VUWRWKKZGXRAHH-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(CC)CC ZINC000638913832 353072135 /nfs/dbraw/zinc/07/21/35/353072135.db2.gz DYLARVOLVXTPCR-SDDRHHMPSA-N 1 3 239.363 0.680 20 0 BCADHO N[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638913874 353072285 /nfs/dbraw/zinc/07/22/85/353072285.db2.gz GOFWZLNHKSPGGR-AVGNSLFASA-N 1 3 245.326 0.649 20 0 BCADHO NCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873483 353043694 /nfs/dbraw/zinc/04/36/94/353043694.db2.gz IEWQYMLZELJHKH-LLVKDONJSA-N 1 3 221.304 0.021 20 0 BCADHO C[C@@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873868 353043809 /nfs/dbraw/zinc/04/38/09/353043809.db2.gz MOBBONCDAAUUBS-ZYHUDNBSSA-N 1 3 235.331 0.410 20 0 BCADHO NCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873490 353043902 /nfs/dbraw/zinc/04/39/02/353043902.db2.gz IEWQYMLZELJHKH-NSHDSACASA-N 1 3 221.304 0.021 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577853825 366085697 /nfs/dbraw/zinc/08/56/97/366085697.db2.gz VPCYDFLXVVGOSJ-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916904 353080602 /nfs/dbraw/zinc/08/06/02/353080602.db2.gz GYINGFXHRKYATG-DCAQKATOSA-N 1 3 225.336 0.323 20 0 BCADHO NC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000638917492 353081206 /nfs/dbraw/zinc/08/12/06/353081206.db2.gz FUOGVOUAWZFAFD-PHIMTYICSA-N 1 3 237.347 0.611 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638934488 353098057 /nfs/dbraw/zinc/09/80/57/353098057.db2.gz IKKFLOAIISIXFJ-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000044526595 188043461 /nfs/dbraw/zinc/04/34/61/188043461.db2.gz HXYJABZZLVHKPR-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@@H](C)CN(C)C[C@H](O)C[NH3+] ZINC000336644885 188010792 /nfs/dbraw/zinc/01/07/92/188010792.db2.gz AUXOINLHSQEBFO-GHMZBOCLSA-N 1 3 202.342 0.920 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643490 358474966 /nfs/dbraw/zinc/47/49/66/358474966.db2.gz WDTGCNHBASYULQ-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643490 358474968 /nfs/dbraw/zinc/47/49/68/358474968.db2.gz WDTGCNHBASYULQ-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334226331 535203991 /nfs/dbraw/zinc/20/39/91/535203991.db2.gz MXPJSZPODUXPTJ-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CCC1([NH+](C)C)CCN(C(=O)CN)CC1 ZINC000638975559 353182379 /nfs/dbraw/zinc/18/23/79/353182379.db2.gz LESKBVKNTXFADU-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000250234552 353269818 /nfs/dbraw/zinc/26/98/18/353269818.db2.gz HBXIQPSTUIZWQX-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000250234552 353269822 /nfs/dbraw/zinc/26/98/22/353269822.db2.gz HBXIQPSTUIZWQX-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000250204594 353269872 /nfs/dbraw/zinc/26/98/72/353269872.db2.gz BUONTMXCURYTAB-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCCC1 ZINC000639023632 353282804 /nfs/dbraw/zinc/28/28/04/353282804.db2.gz XBKATKBJVKHTSE-MGCOHNPYSA-N 1 3 225.336 0.644 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639026128 353285849 /nfs/dbraw/zinc/28/58/49/353285849.db2.gz XSZIJIUNLAFHQC-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]2)CCN1C ZINC000251728198 353287888 /nfs/dbraw/zinc/28/78/88/353287888.db2.gz CGQGCZVXCRJMTL-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1CCCNC1 ZINC000251834213 353292730 /nfs/dbraw/zinc/29/27/30/353292730.db2.gz NQBDEPUFWOLEAX-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1CCCNC1 ZINC000251834213 353292732 /nfs/dbraw/zinc/29/27/32/353292732.db2.gz NQBDEPUFWOLEAX-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(N)CC1 ZINC000251944269 353293952 /nfs/dbraw/zinc/29/39/52/353293952.db2.gz ZVOCTAMAILZKJN-UWVGGRQHSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(N)CC1 ZINC000251944269 353293955 /nfs/dbraw/zinc/29/39/55/353293955.db2.gz ZVOCTAMAILZKJN-UWVGGRQHSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(N)CC1 ZINC000251944272 353294010 /nfs/dbraw/zinc/29/40/10/353294010.db2.gz ZVOCTAMAILZKJN-ZJUUUORDSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(N)CC1 ZINC000251944272 353294012 /nfs/dbraw/zinc/29/40/12/353294012.db2.gz ZVOCTAMAILZKJN-ZJUUUORDSA-N 1 3 223.320 0.173 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000252440145 353299898 /nfs/dbraw/zinc/29/98/98/353299898.db2.gz XNDBNJDIBYVZHK-QJPTWQEYSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000252440145 353299902 /nfs/dbraw/zinc/29/99/02/353299902.db2.gz XNDBNJDIBYVZHK-QJPTWQEYSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COC)C1 ZINC000563710520 353336136 /nfs/dbraw/zinc/33/61/36/353336136.db2.gz ZDBBOQGQOSPDMQ-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COC)C1 ZINC000563710520 353336139 /nfs/dbraw/zinc/33/61/39/353336139.db2.gz ZDBBOQGQOSPDMQ-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC000563710520 353336141 /nfs/dbraw/zinc/33/61/41/353336141.db2.gz ZDBBOQGQOSPDMQ-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)[NH+]1CCC(NCC(C)(C)C(N)=O)CC1 ZINC000227877680 188330663 /nfs/dbraw/zinc/33/06/63/188330663.db2.gz KEKPVIAGJKTYSG-UHFFFAOYSA-N 1 3 241.379 0.960 20 0 BCADHO OC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000085283270 538116414 /nfs/dbraw/zinc/11/64/14/538116414.db2.gz MTTRUJGSUFTGNJ-QWRGUYRKSA-N 1 3 210.321 0.443 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000364991148 188354079 /nfs/dbraw/zinc/35/40/79/188354079.db2.gz YFSZXVXATLVWDQ-SRVKXCTJSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364991148 188354080 /nfs/dbraw/zinc/35/40/80/188354080.db2.gz YFSZXVXATLVWDQ-SRVKXCTJSA-N 1 3 239.363 0.522 20 0 BCADHO CN1CC[C@]2(CC[N@H+](CCn3cccn3)C2)C1 ZINC000334509376 353411735 /nfs/dbraw/zinc/41/17/35/353411735.db2.gz MZRNSCLSUVBJKG-ZDUSSCGKSA-N 1 3 234.347 0.911 20 0 BCADHO CN1CC[C@]2(CC[N@@H+](CCn3cccn3)C2)C1 ZINC000334509376 353411738 /nfs/dbraw/zinc/41/17/38/353411738.db2.gz MZRNSCLSUVBJKG-ZDUSSCGKSA-N 1 3 234.347 0.911 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040467836 188397064 /nfs/dbraw/zinc/39/70/64/188397064.db2.gz UENIESDXHFWBSB-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040467836 188397065 /nfs/dbraw/zinc/39/70/65/188397065.db2.gz UENIESDXHFWBSB-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO COCCN(C)CCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000343301767 353467321 /nfs/dbraw/zinc/46/73/21/353467321.db2.gz JFKLYYRADOPARY-OLZOCXBDSA-N 1 3 243.395 0.494 20 0 BCADHO C[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000230217973 353476410 /nfs/dbraw/zinc/47/64/10/353476410.db2.gz XJVGBNRNZDUQEP-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000192098263 353542170 /nfs/dbraw/zinc/54/21/70/353542170.db2.gz UFTBTDXPTRRSOQ-SDDRHHMPSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000193309884 353590905 /nfs/dbraw/zinc/59/09/05/353590905.db2.gz NKQBHHFIDNAJBQ-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@]1(C(=O)NC[C@H]2CCCN2C)CCC[NH2+]1 ZINC000231786588 353655279 /nfs/dbraw/zinc/65/52/79/353655279.db2.gz DOHPQRTUZYBHEC-DGCLKSJQSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000195161369 353730349 /nfs/dbraw/zinc/73/03/49/353730349.db2.gz LKXQVZZCFGWZCB-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000195161369 353730351 /nfs/dbraw/zinc/73/03/51/353730351.db2.gz LKXQVZZCFGWZCB-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)N(C)C ZINC000343331863 353744901 /nfs/dbraw/zinc/74/49/01/353744901.db2.gz FTLQRUWYIWZYAS-LBPRGKRZSA-N 1 3 239.363 0.705 20 0 BCADHO CC[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)N(C)C ZINC000343331863 353744904 /nfs/dbraw/zinc/74/49/04/353744904.db2.gz FTLQRUWYIWZYAS-LBPRGKRZSA-N 1 3 239.363 0.705 20 0 BCADHO C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@@H](C)N1 ZINC000153439129 363261768 /nfs/dbraw/zinc/26/17/68/363261768.db2.gz XSLWQRZCMCTVCU-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000178408418 366122552 /nfs/dbraw/zinc/12/25/52/366122552.db2.gz LGTYHQVYMJTAJC-MNOVXSKESA-N 1 3 225.336 0.244 20 0 BCADHO CC(C)N1CCCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000334522120 353888610 /nfs/dbraw/zinc/88/86/10/353888610.db2.gz ZGCYTQLHFDELRU-LLVKDONJSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343442086 353889288 /nfs/dbraw/zinc/88/92/88/353889288.db2.gz RMBWKUFHDRSXQH-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO CCC[C@@H](N)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343590471 353941655 /nfs/dbraw/zinc/94/16/55/353941655.db2.gz HXKVXYKNIBSACX-HTAVTVPLSA-N 1 3 241.379 0.995 20 0 BCADHO NC[C@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454364 366126427 /nfs/dbraw/zinc/12/64/27/366126427.db2.gz QMLHQFXUVKTPHK-RYUDHWBXSA-N 1 3 233.315 0.207 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366844076 353983711 /nfs/dbraw/zinc/98/37/11/353983711.db2.gz MRWCWPGFTVPIMW-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CN(C)CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627130684 363301389 /nfs/dbraw/zinc/30/13/89/363301389.db2.gz ISSWPHVNOFWGGM-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098267 358484689 /nfs/dbraw/zinc/48/46/89/358484689.db2.gz PSVQBWZUMVWJLV-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449702299 202005400 /nfs/dbraw/zinc/00/54/00/202005400.db2.gz DMCSCSSNKXSNSM-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000334583864 354205484 /nfs/dbraw/zinc/20/54/84/354205484.db2.gz SOEMOJRDHJFJNP-RKDXNWHRSA-N 1 3 247.289 0.242 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+]C1CCNCC1 ZINC000334615525 354301515 /nfs/dbraw/zinc/30/15/15/354301515.db2.gz KHLKOOGNCZCFLW-SECBINFHSA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@@H]1CNC1CC[NH2+]CC1 ZINC000334615525 354301519 /nfs/dbraw/zinc/30/15/19/354301519.db2.gz KHLKOOGNCZCFLW-SECBINFHSA-N 1 3 233.306 0.573 20 0 BCADHO N[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000578011013 366177022 /nfs/dbraw/zinc/17/70/22/366177022.db2.gz LZQMALJYFFRFDD-GXSJLCMTSA-N 1 3 225.336 0.230 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000345690769 354732724 /nfs/dbraw/zinc/73/27/24/354732724.db2.gz KXXBQJZZBMZNCM-RKDXNWHRSA-N 1 3 249.305 0.425 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000345690767 354733030 /nfs/dbraw/zinc/73/30/30/354733030.db2.gz KXXBQJZZBMZNCM-DTWKUNHWSA-N 1 3 249.305 0.425 20 0 BCADHO C[C@@H](CNC(=O)N1CCCN(C)CC1)[NH+](C)C ZINC000335145868 354855448 /nfs/dbraw/zinc/85/54/48/354855448.db2.gz HCKDUQQERJJDMU-NSHDSACASA-N 1 3 242.367 0.284 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750836 202021260 /nfs/dbraw/zinc/02/12/60/202021260.db2.gz WTPASDNGZHJORG-RKDXNWHRSA-N 1 3 213.325 0.371 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750226 202021076 /nfs/dbraw/zinc/02/10/76/202021076.db2.gz IBQJKFUFVUEMEG-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO COC(=O)[C@@]1(C)CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346971116 355207488 /nfs/dbraw/zinc/20/74/88/355207488.db2.gz KMIUFNPIPYKPTI-AAEUAGOBSA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@@]1(C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346971116 355207490 /nfs/dbraw/zinc/20/74/90/355207490.db2.gz KMIUFNPIPYKPTI-AAEUAGOBSA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@@]1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346971116 355207491 /nfs/dbraw/zinc/20/74/91/355207491.db2.gz KMIUFNPIPYKPTI-AAEUAGOBSA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@]1(C)CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971117 355207595 /nfs/dbraw/zinc/20/75/95/355207595.db2.gz KMIUFNPIPYKPTI-DGCLKSJQSA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@]1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346971117 355207597 /nfs/dbraw/zinc/20/75/97/355207597.db2.gz KMIUFNPIPYKPTI-DGCLKSJQSA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@]1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346971117 355207599 /nfs/dbraw/zinc/20/75/99/355207599.db2.gz KMIUFNPIPYKPTI-DGCLKSJQSA-N 1 3 240.347 0.871 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000346966120 355173370 /nfs/dbraw/zinc/17/33/70/355173370.db2.gz DFNNYBYBTJLFTM-NSHDSACASA-N 1 3 237.351 0.727 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000346966120 355173374 /nfs/dbraw/zinc/17/33/74/355173374.db2.gz DFNNYBYBTJLFTM-NSHDSACASA-N 1 3 237.351 0.727 20 0 BCADHO COC[C@](C)(CCO)NC[C@H]1CCC[NH2+]C1 ZINC000346982281 355184642 /nfs/dbraw/zinc/18/46/42/355184642.db2.gz NWDSKDODARMEJO-RYUDHWBXSA-N 1 3 230.352 0.363 20 0 BCADHO COC[C@@](C)(CCO)NC[C@@H]1CCC[NH2+]C1 ZINC000346982282 355184710 /nfs/dbraw/zinc/18/47/10/355184710.db2.gz NWDSKDODARMEJO-VXGBXAGGSA-N 1 3 230.352 0.363 20 0 BCADHO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113512342 355248462 /nfs/dbraw/zinc/24/84/62/355248462.db2.gz HRDOBUXIRUCKIB-OLZOCXBDSA-N 1 3 244.379 0.656 20 0 BCADHO CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113512342 355248465 /nfs/dbraw/zinc/24/84/65/355248465.db2.gz HRDOBUXIRUCKIB-OLZOCXBDSA-N 1 3 244.379 0.656 20 0 BCADHO CNC(=O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000113516237 355234062 /nfs/dbraw/zinc/23/40/62/355234062.db2.gz LSHJEPWZEVYLHD-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C)CC[C@H]1C ZINC000335288093 355258366 /nfs/dbraw/zinc/25/83/66/355258366.db2.gz LAGCQBROKFVYKJ-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000211760384 355359441 /nfs/dbraw/zinc/35/94/41/355359441.db2.gz JRUABEXCBREGFR-WDEREUQCSA-N 1 3 227.352 0.380 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000349950914 355534444 /nfs/dbraw/zinc/53/44/44/355534444.db2.gz KQGABVQDCRJQBE-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000349950913 355534571 /nfs/dbraw/zinc/53/45/71/355534571.db2.gz KQGABVQDCRJQBE-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC(C)(C)CC[NH3+] ZINC000582182608 355651005 /nfs/dbraw/zinc/65/10/05/355651005.db2.gz LVYJLKZNVGYMET-MRVPVSSYSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000417886837 355632138 /nfs/dbraw/zinc/63/21/38/355632138.db2.gz ZGUDSWHAQZDEOW-QXEWZRGKSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000417284978 191784956 /nfs/dbraw/zinc/78/49/56/191784956.db2.gz KUNOOZNLAPPUAP-MNOVXSKESA-N 1 3 242.367 0.363 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399146679 355769067 /nfs/dbraw/zinc/76/90/67/355769067.db2.gz FABGSVIRLACLBH-JTQLQIEISA-N 1 3 225.336 0.054 20 0 BCADHO OCC[NH+](CCO)C1CCN(CC2CC2)CC1 ZINC000628369818 355878268 /nfs/dbraw/zinc/87/82/68/355878268.db2.gz CLFJMYHEORHKDC-UHFFFAOYSA-N 1 3 242.363 0.147 20 0 BCADHO CCN(CCNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000167207790 355977041 /nfs/dbraw/zinc/97/70/41/355977041.db2.gz VLKAKVDPHBDXEF-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCCNCC2)C1 ZINC000167400036 355987749 /nfs/dbraw/zinc/98/77/49/355987749.db2.gz XYNALZIXCXKFBT-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000417828625 191932456 /nfs/dbraw/zinc/93/24/56/191932456.db2.gz FQWAZZHIRCIPBR-KCJUWKMLSA-N 1 3 225.336 0.323 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417846872 191937584 /nfs/dbraw/zinc/93/75/84/191937584.db2.gz UGALMNPSQHWPQC-UTUOFQBUSA-N 1 3 241.379 0.947 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000583640980 355946879 /nfs/dbraw/zinc/94/68/79/355946879.db2.gz AIWMRGFVJHFQJW-LNFKQOIKSA-N 1 3 214.309 0.260 20 0 BCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1 ZINC000617551739 356108241 /nfs/dbraw/zinc/10/82/41/356108241.db2.gz YHDRZQGIYSGOQP-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1 ZINC000617551739 356108245 /nfs/dbraw/zinc/10/82/45/356108245.db2.gz YHDRZQGIYSGOQP-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351745963 356079421 /nfs/dbraw/zinc/07/94/21/356079421.db2.gz DESLHMPHWOMHPE-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C[NH2+]C ZINC000236825645 363459245 /nfs/dbraw/zinc/45/92/45/363459245.db2.gz OQJPNVZWFPXKID-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000418267804 192009781 /nfs/dbraw/zinc/00/97/81/192009781.db2.gz WTCHPNBKBMMYTL-ZJUUUORDSA-N 1 3 230.356 0.091 20 0 BCADHO C[NH2+]CCCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418277952 192012558 /nfs/dbraw/zinc/01/25/58/192012558.db2.gz KAYKYQHEHJEIGV-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[NH3+] ZINC000418306685 192020853 /nfs/dbraw/zinc/02/08/53/192020853.db2.gz BQDLDJUBIPACOA-NSHDSACASA-N 1 3 242.367 0.318 20 0 BCADHO CCN1CCCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000331922742 356205096 /nfs/dbraw/zinc/20/50/96/356205096.db2.gz VJWSLMOMPGDWJS-LLVKDONJSA-N 1 3 242.367 0.318 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000639457754 356243035 /nfs/dbraw/zinc/24/30/35/356243035.db2.gz XKGBHIXTPOEVAX-USZNOCQGSA-N 1 3 210.321 0.563 20 0 BCADHO CCN(C)C(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000420298639 192204336 /nfs/dbraw/zinc/20/43/36/192204336.db2.gz FMSJAYIBMDBXPV-LBPRGKRZSA-N 1 3 229.368 0.818 20 0 BCADHO CCOC(=O)CCN1CCC(C[NH2+]C)CC1 ZINC000420296154 192204413 /nfs/dbraw/zinc/20/44/13/192204413.db2.gz PZEQTXKLQYEZNV-UHFFFAOYSA-N 1 3 228.336 0.871 20 0 BCADHO CC[C@H](C(N)=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420320687 192195282 /nfs/dbraw/zinc/19/52/82/192195282.db2.gz UMIDFQKTANSIGI-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420320684 192196229 /nfs/dbraw/zinc/19/62/29/192196229.db2.gz UMIDFQKTANSIGI-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](CCNC(=O)C1CCN(C)CC1)[NH+](C)C ZINC000617754382 356313266 /nfs/dbraw/zinc/31/32/66/356313266.db2.gz VZVSBVHXNBALJD-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000617755117 356313382 /nfs/dbraw/zinc/31/33/82/356313382.db2.gz IFIGXACUMZBHMT-QWRGUYRKSA-N 1 3 229.368 0.783 20 0 BCADHO CC[C@H](C(N)=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338208 192215476 /nfs/dbraw/zinc/21/54/76/192215476.db2.gz XNGFBNQYWAVMRA-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CN(CCN[C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353390 192218539 /nfs/dbraw/zinc/21/85/39/192218539.db2.gz BUZZADHEZVKPKP-NWDGAFQWSA-N 1 3 243.395 0.670 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420299640 192208050 /nfs/dbraw/zinc/20/80/50/192208050.db2.gz BDTDYRDENMTVOI-SDDRHHMPSA-N 1 3 240.347 0.999 20 0 BCADHO CC(C)[C@@H]1C(=O)NCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420307584 192208617 /nfs/dbraw/zinc/20/86/17/192208617.db2.gz RLSDGOVOUSEVFN-NWDGAFQWSA-N 1 3 239.363 0.442 20 0 BCADHO CCOC(=O)CCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420306967 192209571 /nfs/dbraw/zinc/20/95/71/192209571.db2.gz ICQZWVMYLQPKMN-TXEJJXNPSA-N 1 3 240.347 0.871 20 0 BCADHO CC(C)OC(=O)CC[NH2+]CC1(N)CCC1 ZINC000420316464 192212045 /nfs/dbraw/zinc/21/20/45/192212045.db2.gz YFAPNXQBJDRZDI-UHFFFAOYSA-N 1 3 214.309 0.799 20 0 BCADHO COC(=O)CCN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420322631 192228298 /nfs/dbraw/zinc/22/82/98/192228298.db2.gz WXUBKNBKVSOZQD-GFCCVEGCSA-N 1 3 240.347 0.871 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCCN1CCOCC1 ZINC000420363942 192223957 /nfs/dbraw/zinc/22/39/57/192223957.db2.gz OLUVOQYSBKIVHT-LBPRGKRZSA-N 1 3 243.395 0.672 20 0 BCADHO CCC(CC)(CNC[C@@H](C)[NH3+])C(=O)OC ZINC000420381568 192234466 /nfs/dbraw/zinc/23/44/66/192234466.db2.gz XZMFOFLJWSHOJO-SECBINFHSA-N 1 3 216.325 0.903 20 0 BCADHO CC(C)OCCC[N@@H+]1CCCO[C@@H](CN)C1 ZINC000420392417 192237090 /nfs/dbraw/zinc/23/70/90/192237090.db2.gz PMAOKEXXLFKUFN-LBPRGKRZSA-N 1 3 230.352 0.851 20 0 BCADHO CC(C)OCCC[N@H+]1CCCO[C@@H](CN)C1 ZINC000420392417 192237091 /nfs/dbraw/zinc/23/70/91/192237091.db2.gz PMAOKEXXLFKUFN-LBPRGKRZSA-N 1 3 230.352 0.851 20 0 BCADHO CCOC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420418598 192240903 /nfs/dbraw/zinc/24/09/03/192240903.db2.gz XAHWVMOAWHTMNA-WDEREUQCSA-N 1 3 228.336 0.856 20 0 BCADHO [NH3+]CCOCCN1CCNC[C@@H]1c1ccccc1 ZINC000420412178 192241370 /nfs/dbraw/zinc/24/13/70/192241370.db2.gz SEWXZSJRQIUQTB-CQSZACIVSA-N 1 3 249.358 0.608 20 0 BCADHO CC(C)[NH+]1CCC(NC(=O)C(C)(C)N)CC1 ZINC000040922301 358504976 /nfs/dbraw/zinc/50/49/76/358504976.db2.gz AESOKBRCRTVYEQ-UHFFFAOYSA-N 1 3 227.352 0.713 20 0 BCADHO NC(=O)[C@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919248 181279419 /nfs/dbraw/zinc/27/94/19/181279419.db2.gz GWGBYWACNLWZSG-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH+](C)CCCNC(=O)CN1CCC(C)(C)C1 ZINC000193364370 538468620 /nfs/dbraw/zinc/46/86/20/538468620.db2.gz VXKHVGBFKSLKHE-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO COC[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167607541 134153053 /nfs/dbraw/zinc/15/30/53/134153053.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167607541 134153054 /nfs/dbraw/zinc/15/30/54/134153054.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000167607541 134153055 /nfs/dbraw/zinc/15/30/55/134153055.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000167607541 134153056 /nfs/dbraw/zinc/15/30/56/134153056.db2.gz ARZUJHBUGDKXMT-AGIUHOORSA-N 1 3 242.363 0.410 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627226538 363554973 /nfs/dbraw/zinc/55/49/73/363554973.db2.gz NCHFJLYKVQCHFM-MNOVXSKESA-N 1 3 240.351 0.071 20 0 BCADHO CCOCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762931 356687911 /nfs/dbraw/zinc/68/79/11/356687911.db2.gz PIHFUHLCBWQGBP-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO COCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762108 356685638 /nfs/dbraw/zinc/68/56/38/356685638.db2.gz GFIDNGOECLOIDW-LBPRGKRZSA-N 1 3 230.352 0.411 20 0 BCADHO C[C@@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335627 356722670 /nfs/dbraw/zinc/72/26/70/356722670.db2.gz WCSXWLPRYVEPJA-ZJUUUORDSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335627 356722673 /nfs/dbraw/zinc/72/26/73/356722673.db2.gz WCSXWLPRYVEPJA-ZJUUUORDSA-N 1 3 200.326 0.830 20 0 BCADHO C[N@@H+]1CC[C@H](NCCOCCO)CC1(C)C ZINC000623340466 356739174 /nfs/dbraw/zinc/73/91/74/356739174.db2.gz JDHDDWYAMPGENB-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO C[N@H+]1CC[C@H](NCCOCCO)CC1(C)C ZINC000623340466 356739176 /nfs/dbraw/zinc/73/91/76/356739176.db2.gz JDHDDWYAMPGENB-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO C[N@@H+]1CC[C@@H](NCCOCCO)CC1(C)C ZINC000623340465 356739353 /nfs/dbraw/zinc/73/93/53/356739353.db2.gz JDHDDWYAMPGENB-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO C[N@H+]1CC[C@@H](NCCOCCO)CC1(C)C ZINC000623340465 356739358 /nfs/dbraw/zinc/73/93/58/356739358.db2.gz JDHDDWYAMPGENB-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO CCN1CCC([NH2+]C[C@]2(O)CCN(C)C2)CC1 ZINC000358252848 356864948 /nfs/dbraw/zinc/86/49/48/356864948.db2.gz OAJPWQCCFJKRGX-CYBMUJFWSA-N 1 3 241.379 0.127 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360815668 356912216 /nfs/dbraw/zinc/91/22/16/356912216.db2.gz DSKRARZLMGAGKN-YPMHNXCESA-N 1 3 239.363 0.716 20 0 BCADHO CNC(=O)CCN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378114 356900054 /nfs/dbraw/zinc/90/00/54/356900054.db2.gz TUZWWZITQNURJP-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CNC(=O)CCN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378114 356900056 /nfs/dbraw/zinc/90/00/56/356900056.db2.gz TUZWWZITQNURJP-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000389945573 357072698 /nfs/dbraw/zinc/07/26/98/357072698.db2.gz QMTNWGNVYQRVOM-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000389945573 357072702 /nfs/dbraw/zinc/07/27/02/357072702.db2.gz QMTNWGNVYQRVOM-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO [NH3+]CCCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000582419818 357143275 /nfs/dbraw/zinc/14/32/75/357143275.db2.gz JCEUINROOYMGPY-MRVPVSSYSA-N 1 3 235.278 0.229 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000582421250 357144067 /nfs/dbraw/zinc/14/40/67/357144067.db2.gz LQWFHNXDXKGARC-JGVFFNPUSA-N 1 3 237.294 0.459 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(C)C[C@@H]2C)n1 ZINC000392383410 357151109 /nfs/dbraw/zinc/15/11/09/357151109.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 1 3 237.351 0.585 20 0 BCADHO Cc1nc(CC[NH2+][C@@H]2CCN(C)C[C@@H]2C)n[nH]1 ZINC000392383410 357151110 /nfs/dbraw/zinc/15/11/10/357151110.db2.gz HCUPISVDBBGHCA-GXSJLCMTSA-N 1 3 237.351 0.585 20 0 BCADHO Cn1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000393870563 357304213 /nfs/dbraw/zinc/30/42/13/357304213.db2.gz XWHBTDGWCCYATF-TXEJJXNPSA-N 1 3 234.347 0.852 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)C(C)(C)N)CC1 ZINC000582724573 357372330 /nfs/dbraw/zinc/37/23/30/357372330.db2.gz BYQBFOKACGQMLK-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000582724673 357372617 /nfs/dbraw/zinc/37/26/17/357372617.db2.gz CGHSZIONICYXPM-MXWKQRLJSA-N 1 3 227.352 0.413 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000582667750 357358535 /nfs/dbraw/zinc/35/85/35/357358535.db2.gz ZYCXYINERFMSAW-OYNCUSHFSA-N 1 3 213.325 0.356 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582785158 357392538 /nfs/dbraw/zinc/39/25/38/357392538.db2.gz XBSHLKYHGCFLEF-GBIKHYSHSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)CNC1CC1 ZINC000582840108 357413185 /nfs/dbraw/zinc/41/31/85/357413185.db2.gz FNQSFSSTASCRIL-SNVBAGLBSA-N 1 3 225.336 0.243 20 0 BCADHO COCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000582851154 357419476 /nfs/dbraw/zinc/41/94/76/357419476.db2.gz JJLCNZHFVVVOLK-UHFFFAOYSA-N 1 3 230.352 0.458 20 0 BCADHO [NH3+]C[C@@H]1CCCN(CCCN2CCOCC2)C1 ZINC000582907482 357433434 /nfs/dbraw/zinc/43/34/34/357433434.db2.gz IIGWPSCXTYTQHL-ZDUSSCGKSA-N 1 3 241.379 0.379 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000583024254 357452415 /nfs/dbraw/zinc/45/24/15/357452415.db2.gz ROBLEYROIKGUNM-ONGXEEELSA-N 1 3 239.363 0.631 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000583033381 357464393 /nfs/dbraw/zinc/46/43/93/357464393.db2.gz CEMSVAZXBQSMKJ-GXFFZTMASA-N 1 3 247.342 0.598 20 0 BCADHO CCN(CCC[NH+](CC)CC)C(=O)CNC ZINC000230712749 357573819 /nfs/dbraw/zinc/57/38/19/357573819.db2.gz CMHUJVZMDFHXFB-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)CNCCOC ZINC000230711961 357573935 /nfs/dbraw/zinc/57/39/35/357573935.db2.gz MQQWZXODMFAKRL-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO CC[C@H](COC)[NH2+]CCOCCN(C)C ZINC000231786922 357629054 /nfs/dbraw/zinc/62/90/54/357629054.db2.gz SUFJRGNGIDWLNJ-LLVKDONJSA-N 1 3 218.341 0.579 20 0 BCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000189013073 357600363 /nfs/dbraw/zinc/60/03/63/357600363.db2.gz NEESTKJRWVTVKA-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN[C@H](C)C1 ZINC000189013073 357600366 /nfs/dbraw/zinc/60/03/66/357600366.db2.gz NEESTKJRWVTVKA-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[N@H+](C[C@@H](O)CNCCC1(O)CCC1)C1CC1 ZINC000397700935 357645037 /nfs/dbraw/zinc/64/50/37/357645037.db2.gz ITUDQDOMJFBTHJ-LBPRGKRZSA-N 1 3 242.363 0.336 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCCC1(O)CCC1)C1CC1 ZINC000397700935 357645040 /nfs/dbraw/zinc/64/50/40/357645040.db2.gz ITUDQDOMJFBTHJ-LBPRGKRZSA-N 1 3 242.363 0.336 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709618 357648112 /nfs/dbraw/zinc/64/81/12/357648112.db2.gz BTIBEWUQCNQDFT-JFGNBEQYSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)CS1 ZINC000397709618 357648116 /nfs/dbraw/zinc/64/81/16/357648116.db2.gz BTIBEWUQCNQDFT-JFGNBEQYSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)[C@H](C)[NH3+] ZINC000583262503 357749243 /nfs/dbraw/zinc/74/92/43/357749243.db2.gz HLVKSBVXNPWWBM-HOSYDEDBSA-N 1 3 235.331 0.408 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415170 357762884 /nfs/dbraw/zinc/76/28/84/357762884.db2.gz BICUMAJUPILOCN-DGCLKSJQSA-N 1 3 244.379 0.846 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415170 357762887 /nfs/dbraw/zinc/76/28/87/357762887.db2.gz BICUMAJUPILOCN-DGCLKSJQSA-N 1 3 244.379 0.846 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000086065014 357808245 /nfs/dbraw/zinc/80/82/45/357808245.db2.gz PKPCVGPWLQINQB-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCCCC1 ZINC000086068256 357815110 /nfs/dbraw/zinc/81/51/10/357815110.db2.gz LRARIBNKLKHSLX-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000086068856 357816000 /nfs/dbraw/zinc/81/60/00/357816000.db2.gz PSPWIKJLYQBVMW-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399074933 357895118 /nfs/dbraw/zinc/89/51/18/357895118.db2.gz PGBXTAREBUBFHU-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399074933 357895121 /nfs/dbraw/zinc/89/51/21/357895121.db2.gz PGBXTAREBUBFHU-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC1(C(=O)N2CC[C@@H](N3CCCC3)C2)C[NH2+]C1 ZINC000399302252 357902154 /nfs/dbraw/zinc/90/21/54/357902154.db2.gz PGTWRLTVRWHYCK-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](C)NC)C(C)C ZINC000583822656 357958152 /nfs/dbraw/zinc/95/81/52/357958152.db2.gz SMNVTLSTIMIEQG-JTQLQIEISA-N 1 3 215.341 0.441 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](C)NC)C(C)C ZINC000583822656 357958155 /nfs/dbraw/zinc/95/81/55/357958155.db2.gz SMNVTLSTIMIEQG-JTQLQIEISA-N 1 3 215.341 0.441 20 0 BCADHO COC[C@](C)(CO)[NH2+]CC[C@H]1CCCN1C ZINC000639957650 357982087 /nfs/dbraw/zinc/98/20/87/357982087.db2.gz RIMIGPXGTWWCEI-NEPJUHHUSA-N 1 3 230.352 0.458 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219249370 357989102 /nfs/dbraw/zinc/98/91/02/357989102.db2.gz SSWZDUXQMXPMHH-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219249370 357989105 /nfs/dbraw/zinc/98/91/05/357989105.db2.gz SSWZDUXQMXPMHH-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000584473253 357990356 /nfs/dbraw/zinc/99/03/56/357990356.db2.gz VHIMYNIOGKOSRX-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000584473253 357990358 /nfs/dbraw/zinc/99/03/58/357990358.db2.gz VHIMYNIOGKOSRX-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000219941615 358010520 /nfs/dbraw/zinc/01/05/20/358010520.db2.gz LMKMHXWCPXBZFL-BDAKNGLRSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H]1C[C@@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211792 358012836 /nfs/dbraw/zinc/01/28/36/358012836.db2.gz ZFXMCWKMKBOGJH-NEPJUHHUSA-N 1 3 241.379 0.594 20 0 BCADHO C[C@@H]1C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211796 358013330 /nfs/dbraw/zinc/01/33/30/358013330.db2.gz ZFXMCWKMKBOGJH-VXGBXAGGSA-N 1 3 241.379 0.594 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000219815604 358013609 /nfs/dbraw/zinc/01/36/09/358013609.db2.gz SJCAHVFPEPQXLA-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485370 358072694 /nfs/dbraw/zinc/07/26/94/358072694.db2.gz NYGZQEJURMCWQC-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485370 358072699 /nfs/dbraw/zinc/07/26/99/358072699.db2.gz NYGZQEJURMCWQC-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999122 358064179 /nfs/dbraw/zinc/06/41/79/358064179.db2.gz YTODLUAVJVWCBK-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO COc1ccc(C[NH+](C)C)cc1NC(=O)CN ZINC000037018561 358064291 /nfs/dbraw/zinc/06/42/91/358064291.db2.gz FPCDWXCEKQZWGB-UHFFFAOYSA-N 1 3 237.303 0.654 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583871181 358068015 /nfs/dbraw/zinc/06/80/15/358068015.db2.gz QBZJOVQJNNAWJN-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000584656405 358121054 /nfs/dbraw/zinc/12/10/54/358121054.db2.gz XNFKBHIVVURBLG-LBPRGKRZSA-N 1 3 241.379 0.947 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000584665370 358126980 /nfs/dbraw/zinc/12/69/80/358126980.db2.gz KCXVPOPUVSSQFP-IJLUTSLNSA-N 1 3 230.352 0.633 20 0 BCADHO COC[C@](C)(O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000584665370 358126984 /nfs/dbraw/zinc/12/69/84/358126984.db2.gz KCXVPOPUVSSQFP-IJLUTSLNSA-N 1 3 230.352 0.633 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000584790479 358179683 /nfs/dbraw/zinc/17/96/83/358179683.db2.gz OXEPFCSLLUPPHM-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCCCNC2=O)C1 ZINC000222935801 358216157 /nfs/dbraw/zinc/21/61/57/358216157.db2.gz RCJXWLXIKOHQNH-OUAUKWLOSA-N 1 3 225.336 0.515 20 0 BCADHO CNCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624393 358244432 /nfs/dbraw/zinc/24/44/32/358244432.db2.gz RGDTWKDEEXGVPT-JTQLQIEISA-N 1 3 213.325 0.052 20 0 BCADHO CNCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624393 358244435 /nfs/dbraw/zinc/24/44/35/358244435.db2.gz RGDTWKDEEXGVPT-JTQLQIEISA-N 1 3 213.325 0.052 20 0 BCADHO O=C(CNC1CC1)NCC[NH+]1CCCCCC1 ZINC000040768299 358245638 /nfs/dbraw/zinc/24/56/38/358245638.db2.gz VMAONRUHVBAJGI-UHFFFAOYSA-N 1 3 239.363 0.731 20 0 BCADHO CCN(CCNC(=O)[C@H](C)C[NH3+])C1CC1 ZINC000218864275 134265385 /nfs/dbraw/zinc/26/53/85/134265385.db2.gz NPSFJTZLFIJDHK-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232631 491128508 /nfs/dbraw/zinc/12/85/08/491128508.db2.gz GLRSQOVRLCPKJW-AEJSXWLSSA-N 1 3 213.325 0.310 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000041680323 358333757 /nfs/dbraw/zinc/33/37/57/358333757.db2.gz CIYQNSCQFNFITB-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN(CCN(C)C)C(=O)CCC[NH3+] ZINC000041680292 358334131 /nfs/dbraw/zinc/33/41/31/358334131.db2.gz CQSZUBMDYKCLKC-UHFFFAOYSA-N 1 3 215.341 0.526 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)CCN1C ZINC000226869231 358345933 /nfs/dbraw/zinc/34/59/33/358345933.db2.gz ZZSZCJGJSKXNMZ-NQBHXWOUSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226869247 358346088 /nfs/dbraw/zinc/34/60/88/358346088.db2.gz LEAFDMPDRAXVEF-YFKTTZPYSA-N 1 3 239.363 0.583 20 0 BCADHO C([C@H]1CCCOC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282298 134274843 /nfs/dbraw/zinc/27/48/43/134274843.db2.gz HDJHWINSFNOYIX-UTUOFQBUSA-N 1 3 210.321 0.564 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000227833428 358364236 /nfs/dbraw/zinc/36/42/36/358364236.db2.gz GOAQMIDBCPXMFT-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CCNC(=O)CC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000173901398 134278357 /nfs/dbraw/zinc/27/83/57/134278357.db2.gz HAGMTVUPSSNWNP-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCNC(=O)CC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000173901398 134278358 /nfs/dbraw/zinc/27/83/58/134278358.db2.gz HAGMTVUPSSNWNP-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)CNC1CC1 ZINC000230711648 358410173 /nfs/dbraw/zinc/41/01/73/358410173.db2.gz OSEJJDGVRZXDGT-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538882 358389484 /nfs/dbraw/zinc/38/94/84/358389484.db2.gz OPSVMRKQUWZLCQ-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538882 358389488 /nfs/dbraw/zinc/38/94/88/358389488.db2.gz OPSVMRKQUWZLCQ-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CN1CCC[C@H](CNC(=O)CCC[NH3+])C1 ZINC000044538892 358389921 /nfs/dbraw/zinc/38/99/21/358389921.db2.gz QJVIIWQMZRPEDV-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN(C)C1 ZINC000044538951 358391034 /nfs/dbraw/zinc/39/10/34/358391034.db2.gz ORJBPYUBWUAQRZ-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000044538997 358391152 /nfs/dbraw/zinc/39/11/52/358391152.db2.gz CLNWRKSPKQQHNO-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000044538997 358391155 /nfs/dbraw/zinc/39/11/55/358391155.db2.gz CLNWRKSPKQQHNO-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CC1 ZINC000230191431 358396040 /nfs/dbraw/zinc/39/60/40/358396040.db2.gz IZGICFNSEFDINJ-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044805834 358554387 /nfs/dbraw/zinc/55/43/87/358554387.db2.gz VPKIBRHVOYGNAQ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000086270939 358566567 /nfs/dbraw/zinc/56/65/67/358566567.db2.gz NKXAOXKRVZWAIE-GXSJLCMTSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000086271920 358573744 /nfs/dbraw/zinc/57/37/44/358573744.db2.gz GFBFLVOYQARZMK-MWLCHTKSSA-N 1 3 225.336 0.195 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000131760098 358692608 /nfs/dbraw/zinc/69/26/08/358692608.db2.gz MDDLJZNTUSYXTG-VXGBXAGGSA-N 1 3 233.315 0.116 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCCCN1 ZINC000049559647 358695095 /nfs/dbraw/zinc/69/50/95/358695095.db2.gz VYWYJENXRJJBEP-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000176372694 134291317 /nfs/dbraw/zinc/29/13/17/134291317.db2.gz NTTWDMRWUZMXEP-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)N(C)C ZINC000133732595 358766241 /nfs/dbraw/zinc/76/62/41/358766241.db2.gz SSNLCPWSBWCMLK-NEPJUHHUSA-N 1 3 241.379 0.737 20 0 BCADHO C[C@H]1NCCN(C(=O)CCCC[NH3+])[C@H]1C ZINC000309456059 358708907 /nfs/dbraw/zinc/70/89/07/358708907.db2.gz NSNFBNFADZMLJX-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132879046 358737992 /nfs/dbraw/zinc/73/79/92/358737992.db2.gz WIYLSNZGYAVMHG-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132879046 358737994 /nfs/dbraw/zinc/73/79/94/358737994.db2.gz WIYLSNZGYAVMHG-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132974909 358741347 /nfs/dbraw/zinc/74/13/47/358741347.db2.gz MNCNNPRXMOZKPN-WOPDTQHZSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132974909 358741349 /nfs/dbraw/zinc/74/13/49/358741349.db2.gz MNCNNPRXMOZKPN-WOPDTQHZSA-N 1 3 241.379 0.959 20 0 BCADHO OCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871831 358808524 /nfs/dbraw/zinc/80/85/24/358808524.db2.gz HBLRCYCVDMDGMP-YPMHNXCESA-N 1 3 224.348 0.927 20 0 BCADHO OCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134871831 358808526 /nfs/dbraw/zinc/80/85/26/358808526.db2.gz HBLRCYCVDMDGMP-YPMHNXCESA-N 1 3 224.348 0.927 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC000564083622 358849597 /nfs/dbraw/zinc/84/95/97/358849597.db2.gz YCUHHACSGUTEOU-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NCCN1CCCC1 ZINC000054129048 358854241 /nfs/dbraw/zinc/85/42/41/358854241.db2.gz RKPAWRZABOQCIA-LLVKDONJSA-N 1 3 227.352 0.429 20 0 BCADHO COCC[N@H+](C)CCCNC1CSC1 ZINC000308605222 491137366 /nfs/dbraw/zinc/13/73/66/491137366.db2.gz PKKNVBVEBQIYIA-UHFFFAOYSA-N 1 3 218.366 0.660 20 0 BCADHO COCC[N@@H+](C)CCCNC1CSC1 ZINC000308605222 491137367 /nfs/dbraw/zinc/13/73/67/491137367.db2.gz PKKNVBVEBQIYIA-UHFFFAOYSA-N 1 3 218.366 0.660 20 0 BCADHO CN(C)C(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403308 358967620 /nfs/dbraw/zinc/96/76/20/358967620.db2.gz GZQOVOLCUWRJMA-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086403308 358967624 /nfs/dbraw/zinc/96/76/24/358967624.db2.gz GZQOVOLCUWRJMA-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CS(=O)(=O)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403380 358967888 /nfs/dbraw/zinc/96/78/88/358967888.db2.gz HFGPNBVYGRZNFA-UWVGGRQHSA-N 1 3 234.365 0.281 20 0 BCADHO CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086403380 358967890 /nfs/dbraw/zinc/96/78/90/358967890.db2.gz HFGPNBVYGRZNFA-UWVGGRQHSA-N 1 3 234.365 0.281 20 0 BCADHO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086404784 358968773 /nfs/dbraw/zinc/96/87/73/358968773.db2.gz FEZLVVSPIUOKEM-OUAUKWLOSA-N 1 3 200.326 0.864 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645162 358936031 /nfs/dbraw/zinc/93/60/31/358936031.db2.gz KZVFOMIEACJHID-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645160 358936705 /nfs/dbraw/zinc/93/67/05/358936705.db2.gz KZVFOMIEACJHID-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433055 358946587 /nfs/dbraw/zinc/94/65/87/358946587.db2.gz YJRDYOPIXZDDFC-UWVGGRQHSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433055 358946590 /nfs/dbraw/zinc/94/65/90/358946590.db2.gz YJRDYOPIXZDDFC-UWVGGRQHSA-N 1 3 200.326 0.830 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000177838247 134303707 /nfs/dbraw/zinc/30/37/07/134303707.db2.gz WLHYWHWVEBRPEG-RYUDHWBXSA-N 1 3 230.352 0.267 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000177838247 134303708 /nfs/dbraw/zinc/30/37/08/134303708.db2.gz WLHYWHWVEBRPEG-RYUDHWBXSA-N 1 3 230.352 0.267 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCOCCOC)[C@@H](C)C1 ZINC000247117591 359214771 /nfs/dbraw/zinc/21/47/71/359214771.db2.gz QZJFFPBONKKYDV-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@H](NCCOCCOC)[C@@H](C)C1 ZINC000247117591 359214775 /nfs/dbraw/zinc/21/47/75/359214775.db2.gz QZJFFPBONKKYDV-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO CC[NH2+][C@H](C)CN[C@H](C)C[C@@H]1COCCN1 ZINC000423403736 192744528 /nfs/dbraw/zinc/74/45/28/192744528.db2.gz ZLKMWRIXPDOICO-IJLUTSLNSA-N 1 3 229.368 0.341 20 0 BCADHO CC[C@H](NC[C@@H]1CNCCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498723 192795277 /nfs/dbraw/zinc/79/52/77/192795277.db2.gz BXBFWCFXCVFDBZ-AVGNSLFASA-N 1 3 240.395 0.010 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H]1C ZINC000572406370 359490021 /nfs/dbraw/zinc/49/00/21/359490021.db2.gz QRZKJSNZGTXCHX-USZNOCQGSA-N 1 3 239.363 0.583 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCNC[C@H]1C ZINC000379529735 359536915 /nfs/dbraw/zinc/53/69/15/359536915.db2.gz IEBMLSOLHJNPML-GMTAPVOTSA-N 1 3 200.326 0.857 20 0 BCADHO C[C@H](O)[C@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000580431572 359542703 /nfs/dbraw/zinc/54/27/03/359542703.db2.gz REEUTEJLPKBRKU-RWMBFGLXSA-N 1 3 244.379 0.438 20 0 BCADHO C[C@@H](C(=O)N1C[C@@H](N)Cc2ccccc21)[C@H](C)[NH3+] ZINC000424078329 192860288 /nfs/dbraw/zinc/86/02/88/192860288.db2.gz QLBDXJMNKDRWKK-SCVCMEIPSA-N 1 3 247.342 0.886 20 0 BCADHO CS[C@H](C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000122019375 359676468 /nfs/dbraw/zinc/67/64/68/359676468.db2.gz FDDUINQHYDCEPG-GHMZBOCLSA-N 1 3 232.393 0.784 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000578442125 366569486 /nfs/dbraw/zinc/56/94/86/366569486.db2.gz YZTNCGWGKMDFLJ-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(=O)NC ZINC000578522769 366589293 /nfs/dbraw/zinc/58/92/93/366589293.db2.gz WQJBOHXNGXJCLS-AEJSXWLSSA-N 1 3 213.325 0.371 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)C(C)C ZINC000087471732 366597164 /nfs/dbraw/zinc/59/71/64/366597164.db2.gz HIVSOOINKJPYQN-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000578617011 366608645 /nfs/dbraw/zinc/60/86/45/366608645.db2.gz HYOOUIUCQDUYOS-JHJVBQTASA-N 1 3 225.380 0.916 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091210 359937093 /nfs/dbraw/zinc/93/70/93/359937093.db2.gz ZCHJCGYUQQDBTN-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091210 359937096 /nfs/dbraw/zinc/93/70/96/359937096.db2.gz ZCHJCGYUQQDBTN-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CCCC[NH3+])[C@@H]2C1 ZINC000578766545 366643192 /nfs/dbraw/zinc/64/31/92/366643192.db2.gz ZLBLTTYXOMFAOG-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)C[NH2+]C3CC3)[C@@H]2C1 ZINC000578766058 366644236 /nfs/dbraw/zinc/64/42/36/366644236.db2.gz BVGJGFRNMMTYGO-CMPLNLGQSA-N 1 3 237.347 0.291 20 0 BCADHO CN(CCNC(=O)N[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000612879842 360151986 /nfs/dbraw/zinc/15/19/86/360151986.db2.gz DMDBPDDLDNKJCX-GFCCVEGCSA-N 1 3 240.351 0.132 20 0 BCADHO CN1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612861987 360127019 /nfs/dbraw/zinc/12/70/19/360127019.db2.gz DRBRBKSPVNDUNU-GFCCVEGCSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CCN(C)CC1 ZINC000626921614 360504875 /nfs/dbraw/zinc/50/48/75/360504875.db2.gz NFHMMNXMBHGCOO-GXSJLCMTSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C)CC[N@@H+]1C ZINC000628648146 360595329 /nfs/dbraw/zinc/59/53/29/360595329.db2.gz DPKXTAZHBUJZEK-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2C)CC[N@H+]1C ZINC000628648146 360595337 /nfs/dbraw/zinc/59/53/37/360595337.db2.gz DPKXTAZHBUJZEK-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156116150 360949552 /nfs/dbraw/zinc/94/95/52/360949552.db2.gz FSORNWBJNQZQAA-QJPTWQEYSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156116150 360949555 /nfs/dbraw/zinc/94/95/55/360949555.db2.gz FSORNWBJNQZQAA-QJPTWQEYSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908573 361001394 /nfs/dbraw/zinc/00/13/94/361001394.db2.gz CUTNXIGYHLSIFC-TXEJJXNPSA-N 1 3 243.420 0.717 20 0 BCADHO CCn1nncc1CN[C@@H](C)CCCC[NH3+] ZINC000629509491 361103238 /nfs/dbraw/zinc/10/32/38/361103238.db2.gz ABIGHJLRSNABRA-JTQLQIEISA-N 1 3 225.340 0.905 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424198463 200886848 /nfs/dbraw/zinc/88/68/48/200886848.db2.gz PIWVFPQVPJISBA-FRRDWIJNSA-N 1 3 247.342 0.712 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H]1CCCN1C ZINC000629519880 361120479 /nfs/dbraw/zinc/12/04/79/361120479.db2.gz RRVPKEYWBUVIMU-UMSGYPCISA-N 1 3 241.379 0.423 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1cn(C)nc1C ZINC000629528706 361136968 /nfs/dbraw/zinc/13/69/68/361136968.db2.gz HFLPKUMXYHODSQ-JTQLQIEISA-N 1 3 240.351 0.615 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000629532590 361153575 /nfs/dbraw/zinc/15/35/75/361153575.db2.gz IEMZBVURZQCCSX-AVGNSLFASA-N 1 3 241.379 0.424 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000629532590 361153578 /nfs/dbraw/zinc/15/35/78/361153578.db2.gz IEMZBVURZQCCSX-AVGNSLFASA-N 1 3 241.379 0.424 20 0 BCADHO CC(C)CC[C@@H](CO)N[C@H](C)C1C[NH2+]C1 ZINC000629523299 361124488 /nfs/dbraw/zinc/12/44/88/361124488.db2.gz LDJDFDLIRVHZPB-PWSUYJOCSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)CC[C@@H](CO)[NH2+][C@H](C)C1CNC1 ZINC000629523299 361124492 /nfs/dbraw/zinc/12/44/92/361124492.db2.gz LDJDFDLIRVHZPB-PWSUYJOCSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CN(C)C[C@@H]1C ZINC000629525735 361127170 /nfs/dbraw/zinc/12/71/70/361127170.db2.gz AIQMHOOTUJQKIP-NNYUYHANSA-N 1 3 211.353 0.667 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637105 361206142 /nfs/dbraw/zinc/20/61/42/361206142.db2.gz RNIOBQQSIHGYID-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637105 361206148 /nfs/dbraw/zinc/20/61/48/361206148.db2.gz RNIOBQQSIHGYID-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO NC1(C(=O)NCCC[NH+]2CCCCC2)CCC1 ZINC000147529652 181326232 /nfs/dbraw/zinc/32/62/32/181326232.db2.gz VEOFYOOSPVMNQB-UHFFFAOYSA-N 1 3 239.363 0.860 20 0 BCADHO CNC(=O)C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000579007940 366694866 /nfs/dbraw/zinc/69/48/66/366694866.db2.gz HZELQYGZBOCTOA-JTQLQIEISA-N 1 3 235.331 0.760 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCC1 ZINC000364158826 181327905 /nfs/dbraw/zinc/32/79/05/181327905.db2.gz FNAPFIWMJTYPQH-JTQLQIEISA-N 1 3 225.336 0.516 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)N(CC)CC ZINC000428448339 201017772 /nfs/dbraw/zinc/01/77/72/201017772.db2.gz POWHPISUJQYZGR-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227119 366738367 /nfs/dbraw/zinc/73/83/67/366738367.db2.gz MTZCMGMUJCVCRZ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000579228959 366739987 /nfs/dbraw/zinc/73/99/87/366739987.db2.gz SELHMWKVYDOOCH-BWZBUEFSSA-N 1 3 235.278 0.083 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000579228961 366740003 /nfs/dbraw/zinc/74/00/03/366740003.db2.gz SELHMWKVYDOOCH-GJMOJQLCSA-N 1 3 235.278 0.083 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000428952931 201051740 /nfs/dbraw/zinc/05/17/40/201051740.db2.gz NBJNNHLHQPBMBQ-OUAUKWLOSA-N 1 3 241.379 0.864 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCC2)CCCC1 ZINC000309586915 181330678 /nfs/dbraw/zinc/33/06/78/181330678.db2.gz WCHADAWBCFOFFK-UHFFFAOYSA-N 1 3 211.309 0.256 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000429132791 201071918 /nfs/dbraw/zinc/07/19/18/201071918.db2.gz FMIUTMAJBGWRJN-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1CCC[NH2+]C1 ZINC000428981508 201053882 /nfs/dbraw/zinc/05/38/82/201053882.db2.gz QQONYHHDGJDOCX-UTUOFQBUSA-N 1 3 239.363 0.633 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429141564 201073424 /nfs/dbraw/zinc/07/34/24/201073424.db2.gz KOILLEFETFHLCS-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000429276830 201087699 /nfs/dbraw/zinc/08/76/99/201087699.db2.gz XJAKXUGINJGKQZ-LBPRGKRZSA-N 1 3 229.368 0.818 20 0 BCADHO C1=C(CNC[C@@H]2CCC[NH2+]C2)COCC1 ZINC000379739469 361386783 /nfs/dbraw/zinc/38/67/83/361386783.db2.gz ZDYGONPWEVZLEK-LLVKDONJSA-N 1 3 210.321 0.922 20 0 BCADHO C1=C(C[NH2+]C[C@@H]2CCCNC2)COCC1 ZINC000379739469 361386784 /nfs/dbraw/zinc/38/67/84/361386784.db2.gz ZDYGONPWEVZLEK-LLVKDONJSA-N 1 3 210.321 0.922 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000429230872 201079816 /nfs/dbraw/zinc/07/98/16/201079816.db2.gz YMHDALBSVVSZGR-JTQLQIEISA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429239477 201082430 /nfs/dbraw/zinc/08/24/30/201082430.db2.gz QPVCEONDNUEIFP-SDDRHHMPSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](NCCOCCC[NH3+])c1cn[nH]c1 ZINC000629539238 361404623 /nfs/dbraw/zinc/40/46/23/361404623.db2.gz PAELJJWAQSSPIW-VIFPVBQESA-N 1 3 212.297 0.426 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000579355336 366767736 /nfs/dbraw/zinc/76/77/36/366767736.db2.gz FSASBSPULWJEGN-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CCO[C@H](C[N@H+](C)C[C@H](O)CN)C1CC1 ZINC000629537316 361400951 /nfs/dbraw/zinc/40/09/51/361400951.db2.gz ORBOFOIFAYACIW-GHMZBOCLSA-N 1 3 216.325 0.053 20 0 BCADHO CCO[C@H](C[N@@H+](C)C[C@H](O)CN)C1CC1 ZINC000629537316 361400957 /nfs/dbraw/zinc/40/09/57/361400957.db2.gz ORBOFOIFAYACIW-GHMZBOCLSA-N 1 3 216.325 0.053 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429324021 201101383 /nfs/dbraw/zinc/10/13/83/201101383.db2.gz YYJCXJMKNVZBQM-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543426 361412096 /nfs/dbraw/zinc/41/20/96/361412096.db2.gz BECVGFBLDWRCDW-UPJWGTAASA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629543426 361412099 /nfs/dbraw/zinc/41/20/99/361412099.db2.gz BECVGFBLDWRCDW-UPJWGTAASA-N 1 3 241.379 0.303 20 0 BCADHO CCO[C@H](CN1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000629540259 361414548 /nfs/dbraw/zinc/41/45/48/361414548.db2.gz RMUJTUQODGWIBU-QWHCGFSZSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@H](C[N@@H+]1CCCO[C@@H](CN)C1)C1CC1 ZINC000629540259 361414554 /nfs/dbraw/zinc/41/45/54/361414554.db2.gz RMUJTUQODGWIBU-QWHCGFSZSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@H](C[N@H+]1CCCO[C@@H](CN)C1)C1CC1 ZINC000629540259 361414559 /nfs/dbraw/zinc/41/45/59/361414559.db2.gz RMUJTUQODGWIBU-QWHCGFSZSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[NH2+]1 ZINC000579475695 366823673 /nfs/dbraw/zinc/82/36/73/366823673.db2.gz GKPLALQYHAEVBD-LPEHRKFASA-N 1 3 227.352 0.617 20 0 BCADHO CN(CCN[C@@H]1CCC[C@@H]1[NH3+])CC(F)F ZINC000629555953 361449284 /nfs/dbraw/zinc/44/92/84/361449284.db2.gz JTIMRAPPSGDLQV-DTWKUNHWSA-N 1 3 221.295 0.653 20 0 BCADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)C1 ZINC000629554662 361444039 /nfs/dbraw/zinc/44/40/39/361444039.db2.gz MPTWSHVVEIRPEV-IEECTRCBSA-N 1 3 242.363 0.753 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCCN1C ZINC000629551133 361444132 /nfs/dbraw/zinc/44/41/32/361444132.db2.gz RRVPKEYWBUVIMU-CYDGBPFRSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN(C)CC(F)F ZINC000629556784 361445088 /nfs/dbraw/zinc/44/50/88/361445088.db2.gz YMCPYHFVIJHDCS-IUCAKERBSA-N 1 3 223.311 0.899 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN(C)CC(F)F ZINC000629556782 361445098 /nfs/dbraw/zinc/44/50/98/361445098.db2.gz YMCPYHFVIJHDCS-DTWKUNHWSA-N 1 3 223.311 0.899 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629556390 361450361 /nfs/dbraw/zinc/45/03/61/361450361.db2.gz OXUHRYAHHXSKNE-FRRDWIJNSA-N 1 3 241.379 0.031 20 0 BCADHO Cc1n[nH]cc1[C@@H](C)NCCOCCC[NH3+] ZINC000629541923 361417582 /nfs/dbraw/zinc/41/75/82/361417582.db2.gz UEVYINQPFCTJRV-SECBINFHSA-N 1 3 226.324 0.734 20 0 BCADHO CCn1cc([C@@H](C)NCCOCCC[NH3+])cn1 ZINC000629542186 361418358 /nfs/dbraw/zinc/41/83/58/361418358.db2.gz WLXRAJDDONCYSW-LLVKDONJSA-N 1 3 240.351 0.919 20 0 BCADHO CN(CCOCC[NH3+])CCOCC(F)F ZINC000629578594 361465171 /nfs/dbraw/zinc/46/51/71/361465171.db2.gz SUOVBODBURLUBA-UHFFFAOYSA-N 1 3 226.267 0.175 20 0 BCADHO O[C@H](CN[C@H]1[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000629579681 361465378 /nfs/dbraw/zinc/46/53/78/361465378.db2.gz OZFVHXOOVZCCDU-NDBYEHHHSA-N 1 3 224.348 0.831 20 0 BCADHO C[C@@H](F)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629580153 361466344 /nfs/dbraw/zinc/46/63/44/361466344.db2.gz NNMHMDWPJXDHDB-MNOVXSKESA-N 1 3 218.316 0.781 20 0 BCADHO COC[C@]1(C)CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594340 361486089 /nfs/dbraw/zinc/48/60/89/361486089.db2.gz ADOOGCKAZZZEPR-STQMWFEESA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@H+](CCN)CCCn1ccnc1C ZINC000629557682 361451273 /nfs/dbraw/zinc/45/12/73/361451273.db2.gz BTURAQNAWLXQEO-UHFFFAOYSA-N 1 3 210.325 0.862 20 0 BCADHO CC[N@@H+](CCN)CCCn1ccnc1C ZINC000629557682 361451275 /nfs/dbraw/zinc/45/12/75/361451275.db2.gz BTURAQNAWLXQEO-UHFFFAOYSA-N 1 3 210.325 0.862 20 0 BCADHO CCN(CC[NH3+])CCCn1ccnc1C ZINC000629557682 361451277 /nfs/dbraw/zinc/45/12/77/361451277.db2.gz BTURAQNAWLXQEO-UHFFFAOYSA-N 1 3 210.325 0.862 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000629612717 361498929 /nfs/dbraw/zinc/49/89/29/361498929.db2.gz GRZKPYDEDSMYBG-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000629612547 361499248 /nfs/dbraw/zinc/49/92/48/361499248.db2.gz DLVMBEFWBFIEEG-AXFHLTTASA-N 1 3 225.336 0.004 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000629610420 361500203 /nfs/dbraw/zinc/50/02/03/361500203.db2.gz CPBFLSMJDXCROP-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)N(C)C ZINC000629610674 361500702 /nfs/dbraw/zinc/50/07/02/361500702.db2.gz DUNWZHTXGJHJRT-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)N(C)C ZINC000629611335 361501290 /nfs/dbraw/zinc/50/12/90/361501290.db2.gz RKNJNLRVQRWISC-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@@H](C(=O)N1CCC([NH3+])CC1)N(C)C ZINC000629611527 361501868 /nfs/dbraw/zinc/50/18/68/361501868.db2.gz WGBLIUKLKWTFDG-JTQLQIEISA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)N(C)C ZINC000629611344 361501877 /nfs/dbraw/zinc/50/18/77/361501877.db2.gz RNTADYXDHKQGGW-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000629612232 361502094 /nfs/dbraw/zinc/50/20/94/361502094.db2.gz YLXUINAYXMTUNS-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000629611998 361502898 /nfs/dbraw/zinc/50/28/98/361502898.db2.gz OGKTWTFCBIICAP-GARJFASQSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@@H](C(=O)NCC(C)(C)[NH3+])N(C)C ZINC000629614882 361503481 /nfs/dbraw/zinc/50/34/81/361503481.db2.gz PKHNGSWIDJVVSL-QMMMGPOBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000629614679 361503589 /nfs/dbraw/zinc/50/35/89/361503589.db2.gz MGLCJMQTEWBFTO-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC000629614694 361503643 /nfs/dbraw/zinc/50/36/43/361503643.db2.gz MSEJDUDCYBKZQX-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000629613062 361507082 /nfs/dbraw/zinc/50/70/82/361507082.db2.gz KWSOZAQIWRVJPX-GMTAPVOTSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@H](C(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C ZINC000629613476 361507418 /nfs/dbraw/zinc/50/74/18/361507418.db2.gz OOPBZXAOVHNWKE-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C(=O)N(C)CCC[NH2+]C)N(C)C ZINC000629613520 361507613 /nfs/dbraw/zinc/50/76/13/361507613.db2.gz BSGQYHOOUZOKML-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N(C)C ZINC000629613548 361507919 /nfs/dbraw/zinc/50/79/19/361507919.db2.gz CEEYAJIODVCRGV-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@]1(C(=O)NC[C@H](N)c2ccccc2)CC[NH2+]C1 ZINC000152089201 201189164 /nfs/dbraw/zinc/18/91/64/201189164.db2.gz QJIKIWBWOFIOPO-JSGCOSHPSA-N 1 3 247.342 0.802 20 0 BCADHO Cc1ccncc1CNCCOCCC[NH3+] ZINC000629677941 361600697 /nfs/dbraw/zinc/60/06/97/361600697.db2.gz JDGYNZAJSULDJL-UHFFFAOYSA-N 1 3 223.320 0.845 20 0 BCADHO C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@@H](C)N1 ZINC000153807346 201249045 /nfs/dbraw/zinc/24/90/45/201249045.db2.gz XRIMRZDHSXSINJ-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153264183 201229189 /nfs/dbraw/zinc/22/91/89/201229189.db2.gz KQLNDRZXCIYYBS-PHIMTYICSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000434708095 201233154 /nfs/dbraw/zinc/23/31/54/201233154.db2.gz UISCCZSTPGPNRC-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000434703785 201235653 /nfs/dbraw/zinc/23/56/53/201235653.db2.gz BENJZGIBOCBDJY-GARJFASQSA-N 1 3 227.352 0.761 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154020902 201257195 /nfs/dbraw/zinc/25/71/95/201257195.db2.gz XEPXWDWYHNHZFK-UKKRHICBSA-N 1 3 227.352 0.569 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435756990 201285519 /nfs/dbraw/zinc/28/55/19/201285519.db2.gz WSDSSRIELTZZQG-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@H]1CN(CCC[NH2+]C)CCN1C[C@H](C)O ZINC000435872909 201294225 /nfs/dbraw/zinc/29/42/25/201294225.db2.gz SIWSFGHGPQPUMQ-STQMWFEESA-N 1 3 243.395 0.373 20 0 BCADHO C[NH2+]CCCN1CCN(C[C@@H]2CCOC2)CC1 ZINC000435881776 201294481 /nfs/dbraw/zinc/29/44/81/201294481.db2.gz QDKOIAUJXITGEH-ZDUSSCGKSA-N 1 3 241.379 0.250 20 0 BCADHO C[C@@H](C(=O)NCCN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000155346181 201324732 /nfs/dbraw/zinc/32/47/32/201324732.db2.gz OFJWXRJFGFFQKU-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H](C(=O)NCCN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000155346181 201324736 /nfs/dbraw/zinc/32/47/36/201324736.db2.gz OFJWXRJFGFFQKU-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000627245615 363849491 /nfs/dbraw/zinc/84/94/91/363849491.db2.gz QVTUWKPORSIIAV-LMLFDSFASA-N 1 3 240.351 0.129 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000627245618 363849537 /nfs/dbraw/zinc/84/95/37/363849537.db2.gz QVTUWKPORSIIAV-VPOLOUISSA-N 1 3 240.351 0.129 20 0 BCADHO NCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164734481 181354455 /nfs/dbraw/zinc/35/44/55/181354455.db2.gz LHRBFLSFOKTIHS-UHFFFAOYSA-N 1 3 247.342 0.857 20 0 BCADHO NC(=[NH2+])NC[C@H]1CCN1C1CCCCC1 ZINC000630387064 364101198 /nfs/dbraw/zinc/10/11/98/364101198.db2.gz GFNBLNUVTOTTLD-SNVBAGLBSA-N 1 3 210.325 0.876 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000068195874 370752917 /nfs/dbraw/zinc/75/29/17/370752917.db2.gz FTQBUJUZZFTTIO-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000068195874 370752922 /nfs/dbraw/zinc/75/29/22/370752922.db2.gz FTQBUJUZZFTTIO-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO O[C@@H]1COC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000631672363 364318190 /nfs/dbraw/zinc/31/81/90/364318190.db2.gz HWWIISABDLQAHK-QWHCGFSZSA-N 1 3 240.347 0.210 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CCCN1CCCC1 ZINC000135818433 364450267 /nfs/dbraw/zinc/45/02/67/364450267.db2.gz OIMQRSPTMPPUJD-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H](CC(N)=O)NCCC[NH+]1CCCC1 ZINC000135818433 364450271 /nfs/dbraw/zinc/45/02/71/364450271.db2.gz OIMQRSPTMPPUJD-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO [NH3+]CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000002599546 181367084 /nfs/dbraw/zinc/36/70/84/181367084.db2.gz OBCLGQWTCWBSQU-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)N(C)C ZINC000615314882 364687771 /nfs/dbraw/zinc/68/77/71/364687771.db2.gz QARFTAWPPWQJPS-TUAOUCFPSA-N 1 3 241.379 0.878 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)N(C)C ZINC000615314883 364688018 /nfs/dbraw/zinc/68/80/18/364688018.db2.gz QARFTAWPPWQJPS-UTUOFQBUSA-N 1 3 241.379 0.878 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000573321852 364798026 /nfs/dbraw/zinc/79/80/26/364798026.db2.gz AIUUJWRPSYIMHR-UTLUCORTSA-N 1 3 230.356 0.362 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573576200 364867424 /nfs/dbraw/zinc/86/74/24/364867424.db2.gz JFNBYWHDISNKSY-GARJFASQSA-N 1 3 225.336 0.052 20 0 BCADHO N[C@@H]1CN(C(=O)CCC[NH3+])C[C@H]1c1ccccc1 ZINC000370222721 181371583 /nfs/dbraw/zinc/37/15/83/181371583.db2.gz NBDWQECITZXQSV-QWHCGFSZSA-N 1 3 247.342 0.679 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000573924121 364946656 /nfs/dbraw/zinc/94/66/56/364946656.db2.gz RGNPMSBCKRVFIL-GHMZBOCLSA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000573924128 364947831 /nfs/dbraw/zinc/94/78/31/364947831.db2.gz RGNPMSBCKRVFIL-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO NCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000309581916 181379960 /nfs/dbraw/zinc/37/99/60/181379960.db2.gz SURLCVMUVZNPGJ-UHFFFAOYSA-N 1 3 213.325 0.313 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000574201172 365009675 /nfs/dbraw/zinc/00/96/75/365009675.db2.gz JIUYQYYMPQCQLZ-UHFFFAOYSA-N 1 3 205.261 0.577 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N(C)C ZINC000162173919 541446864 /nfs/dbraw/zinc/44/68/64/541446864.db2.gz PECIJZIQCARMPP-PWSUYJOCSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000162173919 541446869 /nfs/dbraw/zinc/44/68/69/541446869.db2.gz PECIJZIQCARMPP-PWSUYJOCSA-N 1 3 241.379 0.926 20 0 BCADHO [NH3+]CCN1CCN(C2CCCCC2)CC1 ZINC000019688080 181392044 /nfs/dbraw/zinc/39/20/44/181392044.db2.gz CDCBWZFCCPFAPS-UHFFFAOYSA-N 1 3 211.353 0.895 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)CSC)CC1 ZINC000574444079 365061509 /nfs/dbraw/zinc/06/15/09/365061509.db2.gz UPWDUSHHIRMSPH-LLVKDONJSA-N 1 3 232.393 0.784 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C1CCN(C)CC1 ZINC000574451938 365065242 /nfs/dbraw/zinc/06/52/42/365065242.db2.gz XITSGZPTFVBSLK-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO NC1(C(=O)NC[C@H]2CCCC[NH2+]2)CCCC1 ZINC000237801063 541449486 /nfs/dbraw/zinc/44/94/86/541449486.db2.gz MWNWOYAXHVGKIT-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000574276320 365025973 /nfs/dbraw/zinc/02/59/73/365025973.db2.gz VIOZYYCHYUPBMA-DJLDLDEBSA-N 1 3 247.289 0.098 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H](C)N1 ZINC000574319238 365036340 /nfs/dbraw/zinc/03/63/40/365036340.db2.gz PWDVMNDEUGLTJW-RNJXMRFFSA-N 1 3 235.278 0.178 20 0 BCADHO N[C@H](CC(F)F)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574573362 365087998 /nfs/dbraw/zinc/08/79/98/365087998.db2.gz KGXSSKVVWLCBJY-DTWKUNHWSA-N 1 3 247.289 0.322 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000574573679 365094098 /nfs/dbraw/zinc/09/40/98/365094098.db2.gz FJXUWACBEGVDDK-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000574573679 365094105 /nfs/dbraw/zinc/09/41/05/365094105.db2.gz FJXUWACBEGVDDK-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000575047417 365176914 /nfs/dbraw/zinc/17/69/14/365176914.db2.gz QCZIWTZJWGIIFL-TUAOUCFPSA-N 1 3 245.326 0.640 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000575173562 365227212 /nfs/dbraw/zinc/22/72/12/365227212.db2.gz BOPZJXMEFIINHB-NNYUYHANSA-N 1 3 237.347 0.324 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000575122266 365210732 /nfs/dbraw/zinc/21/07/32/365210732.db2.gz FBNOQJRCJYOQOT-VWYCJHECSA-N 1 3 227.352 0.474 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000575198649 365240750 /nfs/dbraw/zinc/24/07/50/365240750.db2.gz SAVGMAOLCZUZBI-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000575198649 365240754 /nfs/dbraw/zinc/24/07/54/365240754.db2.gz SAVGMAOLCZUZBI-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177013 193039474 /nfs/dbraw/zinc/03/94/74/193039474.db2.gz SBCWHPPFBJVITQ-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444172991 193039866 /nfs/dbraw/zinc/03/98/66/193039866.db2.gz YKHOBTOQBKAGIF-AAEUAGOBSA-N 1 3 237.347 0.196 20 0 BCADHO O=C(NCCN1CCCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444167464 193039880 /nfs/dbraw/zinc/03/98/80/193039880.db2.gz LPHDRAPAWSMLGR-YPMHNXCESA-N 1 3 237.347 0.198 20 0 BCADHO CN1CCC(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444172996 193040534 /nfs/dbraw/zinc/04/05/34/193040534.db2.gz YKHOBTOQBKAGIF-YPMHNXCESA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177011 193040641 /nfs/dbraw/zinc/04/06/41/193040641.db2.gz SBCWHPPFBJVITQ-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)N(C)C ZINC000444187711 193041182 /nfs/dbraw/zinc/04/11/82/193041182.db2.gz SMKRKEOIYDMDMR-SCVCMEIPSA-N 1 3 225.336 0.052 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444188197 193041656 /nfs/dbraw/zinc/04/16/56/193041656.db2.gz UJDKMVHJNLJKOD-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CCN(CC)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444272143 193043933 /nfs/dbraw/zinc/04/39/33/193043933.db2.gz WXGDNTZCDQDPCF-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000575309294 365283574 /nfs/dbraw/zinc/28/35/74/365283574.db2.gz LDGJIFCDMAOFTK-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[C@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000575868745 365396369 /nfs/dbraw/zinc/39/63/69/365396369.db2.gz KLPFCMOZVWIHHS-QWHCGFSZSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[C@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000575868745 365396373 /nfs/dbraw/zinc/39/63/73/365396373.db2.gz KLPFCMOZVWIHHS-QWHCGFSZSA-N 1 3 244.379 0.438 20 0 BCADHO CN[C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000575816627 365372116 /nfs/dbraw/zinc/37/21/16/365372116.db2.gz URBSQSDAKGYUEH-ONGXEEELSA-N 1 3 215.341 0.474 20 0 BCADHO CN1CCC(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000576038677 365458494 /nfs/dbraw/zinc/45/84/94/365458494.db2.gz JXWJFYMDKZZHRK-SECBINFHSA-N 1 3 249.305 0.427 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)C2CC2)C1 ZINC000576122057 365493292 /nfs/dbraw/zinc/49/32/92/365493292.db2.gz VFWUTJGNWXZDGX-UTUOFQBUSA-N 1 3 212.337 0.864 20 0 BCADHO C[C@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576150164 365502034 /nfs/dbraw/zinc/50/20/34/365502034.db2.gz HDHBWGGKPWDLJI-NWDGAFQWSA-N 1 3 242.363 0.458 20 0 BCADHO CNC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156091799 541485375 /nfs/dbraw/zinc/48/53/75/541485375.db2.gz DNJMYYOWMSOZPY-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CNC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156091799 541485378 /nfs/dbraw/zinc/48/53/78/541485378.db2.gz DNJMYYOWMSOZPY-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC[NH2+]C(C)(C)C ZINC000579706522 366985794 /nfs/dbraw/zinc/98/57/94/366985794.db2.gz LCFHNTREWZQJMX-VIFPVBQESA-N 1 3 227.352 0.631 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000564957801 325834310 /nfs/dbraw/zinc/83/43/10/325834310.db2.gz FJJSUBMWFSVXOL-UWVGGRQHSA-N 1 3 227.352 0.761 20 0 BCADHO O=C(CNC1CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000579829291 367035118 /nfs/dbraw/zinc/03/51/18/367035118.db2.gz BULBEMQKTUMMAB-UHFFFAOYSA-N 1 3 237.347 0.341 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC000580773536 367162886 /nfs/dbraw/zinc/16/28/86/367162886.db2.gz OIRAMAHZMOTASU-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[C@H]1[NH3+] ZINC000580891975 367198975 /nfs/dbraw/zinc/19/89/75/367198975.db2.gz VDSYBHCJLMUEEQ-IEBDPFPHSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H]1CCN(CC(=O)NCCCC[NH+](C)C)C1 ZINC000581021520 367239575 /nfs/dbraw/zinc/23/95/75/367239575.db2.gz YIEIOKLVCLHYCZ-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000381354465 367386674 /nfs/dbraw/zinc/38/66/74/367386674.db2.gz CLGBUYFRONGRME-RKDXNWHRSA-N 1 3 213.325 0.310 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000581437603 367471062 /nfs/dbraw/zinc/47/10/62/367471062.db2.gz QSGIBFVJUHATSM-AGIUHOORSA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000581437603 367471064 /nfs/dbraw/zinc/47/10/64/367471064.db2.gz QSGIBFVJUHATSM-AGIUHOORSA-N 1 3 243.395 0.323 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000381785012 367458082 /nfs/dbraw/zinc/45/80/82/367458082.db2.gz YQELTNROUAZZPB-GUBZILKMSA-N 1 3 213.325 0.310 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382555815 367538403 /nfs/dbraw/zinc/53/84/03/367538403.db2.gz JOPWTJZSYKEBCR-GMTAPVOTSA-N 1 3 216.325 0.243 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000581547519 367575434 /nfs/dbraw/zinc/57/54/34/367575434.db2.gz GZOVZIGEFVZLDN-DGCLKSJQSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000382973943 367576506 /nfs/dbraw/zinc/57/65/06/367576506.db2.gz SACAVOJCOBFFEM-CMPLNLGQSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000581665745 367665708 /nfs/dbraw/zinc/66/57/08/367665708.db2.gz FEARBOWUHPQWOC-MMWGEVLESA-N 1 3 242.367 0.504 20 0 BCADHO CN(C)[C@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384813867 367736699 /nfs/dbraw/zinc/73/66/99/367736699.db2.gz IXWCYZJTRFQKJQ-CHWSQXEVSA-N 1 3 247.342 0.767 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000581727328 367792156 /nfs/dbraw/zinc/79/21/56/367792156.db2.gz ZSUTXHLMYDPZEL-OPRDCNLKSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000581884721 367875384 /nfs/dbraw/zinc/87/53/84/367875384.db2.gz UTQQRIQFMALJNL-NXEZZACHSA-N 1 3 227.352 0.476 20 0 BCADHO COC[C@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)OC ZINC000386539620 367988892 /nfs/dbraw/zinc/98/88/92/367988892.db2.gz CWQZUZILKJPMAU-WOPDTQHZSA-N 1 3 230.352 0.768 20 0 BCADHO COCCOCC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386564314 367991953 /nfs/dbraw/zinc/99/19/53/367991953.db2.gz JZFHVVZNNUTYHM-NWDGAFQWSA-N 1 3 230.352 0.770 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCCCN1 ZINC000386561404 367992313 /nfs/dbraw/zinc/99/23/13/367992313.db2.gz JDQQBVMYAYVZEV-TUAOUCFPSA-N 1 3 228.336 0.522 20 0 BCADHO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000252958408 368170192 /nfs/dbraw/zinc/17/01/92/368170192.db2.gz SUXVDDAUGWWEBB-UTUOFQBUSA-N 1 3 230.352 0.050 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000566560636 326064094 /nfs/dbraw/zinc/06/40/94/326064094.db2.gz FIDOZZWGOIRLOA-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO CC[C@@H](CO)[NH2+][C@H]1CCCC[C@H]1CN ZINC000163981256 202816272 /nfs/dbraw/zinc/81/62/72/202816272.db2.gz WNDHGJBZHXQZDZ-DCAQKATOSA-N 1 3 200.326 0.864 20 0 BCADHO CNC[C@](C)(O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000566918038 326094162 /nfs/dbraw/zinc/09/41/62/326094162.db2.gz DQOHWYQDWFGZMT-MXWKQRLJSA-N 1 3 200.326 0.545 20 0 BCADHO CC[C@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000066245289 368642265 /nfs/dbraw/zinc/64/22/65/368642265.db2.gz VEYSIMMNQQXCPT-LLVKDONJSA-N 1 3 224.352 0.800 20 0 BCADHO CC[NH+](CC)CCNC(=O)NC[C@H](C)N(C)C ZINC000457409936 203057082 /nfs/dbraw/zinc/05/70/82/203057082.db2.gz QTOLFVMJPDVUGO-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO COC[C@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154438409 326144050 /nfs/dbraw/zinc/14/40/50/326144050.db2.gz MZYWSBRGFVDCDJ-ZDUSSCGKSA-N 1 3 243.395 0.639 20 0 BCADHO COCCOCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086402444 368880452 /nfs/dbraw/zinc/88/04/52/368880452.db2.gz IKTZXWSAAMQJPN-VXGBXAGGSA-N 1 3 230.352 0.899 20 0 BCADHO [NH3+]CCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000087618516 368895375 /nfs/dbraw/zinc/89/53/75/368895375.db2.gz POGGWTMKNSBCSF-ZDUSSCGKSA-N 1 3 247.342 0.729 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623661817 369075169 /nfs/dbraw/zinc/07/51/69/369075169.db2.gz DRVICHOOIYLWGY-FIQHERPVSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623661817 369075176 /nfs/dbraw/zinc/07/51/76/369075176.db2.gz DRVICHOOIYLWGY-FIQHERPVSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623661818 369075238 /nfs/dbraw/zinc/07/52/38/369075238.db2.gz DRVICHOOIYLWGY-KKOKHZNYSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623661818 369075241 /nfs/dbraw/zinc/07/52/41/369075241.db2.gz DRVICHOOIYLWGY-KKOKHZNYSA-N 1 3 237.347 0.467 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CCCOC1 ZINC000310410437 326192067 /nfs/dbraw/zinc/19/20/67/326192067.db2.gz OUUOOLRHGWVOOP-STQMWFEESA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CCCOC1 ZINC000310410437 326192069 /nfs/dbraw/zinc/19/20/69/326192069.db2.gz OUUOOLRHGWVOOP-STQMWFEESA-N 1 3 244.379 0.657 20 0 BCADHO C[C@@H](CNC(=O)N(C)CCN(C)C)[NH+](C)C ZINC000459047397 203227243 /nfs/dbraw/zinc/22/72/43/203227243.db2.gz WCZOUPOEKMNJNE-JTQLQIEISA-N 1 3 230.356 0.140 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000567846454 326268932 /nfs/dbraw/zinc/26/89/32/326268932.db2.gz CGHSZIONICYXPM-GARJFASQSA-N 1 3 227.352 0.413 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000165607180 203385708 /nfs/dbraw/zinc/38/57/08/203385708.db2.gz UTNIQXVXUMCKLF-WDEREUQCSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@@H](C)CN(C)C[C@](C)(O)C[NH2+]C ZINC000568050900 326300305 /nfs/dbraw/zinc/30/03/05/326300305.db2.gz MQIQICZAOQIRCG-GHMZBOCLSA-N 1 3 202.342 0.935 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000252644858 370105609 /nfs/dbraw/zinc/10/56/09/370105609.db2.gz PKPCVGPWLQINQB-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)N(C)C ZINC000621155838 370128382 /nfs/dbraw/zinc/12/83/82/370128382.db2.gz MZSWCCZLCWUSTN-NWDGAFQWSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000252852072 370136410 /nfs/dbraw/zinc/13/64/10/370136410.db2.gz IIMMJBYBGQKDOM-VPOLOUISSA-N 1 3 227.352 0.569 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253171638 370155350 /nfs/dbraw/zinc/15/53/50/370155350.db2.gz JADMSRAGWPDHEP-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO N[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621683102 370431312 /nfs/dbraw/zinc/43/13/12/370431312.db2.gz PYGYAVXQBXVTOO-NTZNESFSSA-N 1 3 237.347 0.454 20 0 BCADHO N[C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621683101 370431765 /nfs/dbraw/zinc/43/17/65/370431765.db2.gz PYGYAVXQBXVTOO-MDZLAQPJSA-N 1 3 237.347 0.454 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682721 370431857 /nfs/dbraw/zinc/43/18/57/370431857.db2.gz JZNPBRUNUKKDQN-CWSCBRNRSA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000621684329 370433620 /nfs/dbraw/zinc/43/36/20/370433620.db2.gz KSEWUXQBNJFMNK-ZWNOBZJWSA-N 1 3 237.347 0.598 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000621684326 370433665 /nfs/dbraw/zinc/43/36/65/370433665.db2.gz KSEWUXQBNJFMNK-GWCFXTLKSA-N 1 3 237.347 0.598 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684136 370433891 /nfs/dbraw/zinc/43/38/91/370433891.db2.gz IAPLZAOKDKXZSZ-GZMMTYOYSA-N 1 3 211.309 0.064 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684435 370434601 /nfs/dbraw/zinc/43/46/01/370434601.db2.gz MISBGPLCMRCVEX-NTZNESFSSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NC1CCN(C)CC1 ZINC000621837451 370557635 /nfs/dbraw/zinc/55/76/35/370557635.db2.gz IIQBKHCZTCSJRD-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400266 370557694 /nfs/dbraw/zinc/55/76/94/370557694.db2.gz CXBNLFOOUBVIHR-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CCN1C[C@H]([NH2+][C@H]2CCCCC[C@H]2N)CC1=O ZINC000568499516 326359725 /nfs/dbraw/zinc/35/97/25/326359725.db2.gz KKJXHBNNHPUOGS-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO COC(=O)C1(CNC[C@]2(C)CC[NH2+]C2)CC1 ZINC000568749695 326374842 /nfs/dbraw/zinc/37/48/42/326374842.db2.gz LILIJMAETPCWHF-LLVKDONJSA-N 1 3 226.320 0.529 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)CCN1C ZINC000624228537 371416649 /nfs/dbraw/zinc/41/66/49/371416649.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228537 371416655 /nfs/dbraw/zinc/41/66/55/371416655.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228537 371416663 /nfs/dbraw/zinc/41/66/63/371416663.db2.gz VDJHLJIOBJBOQB-RWMBFGLXSA-N 1 3 241.379 0.125 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165405391 326421850 /nfs/dbraw/zinc/42/18/50/326421850.db2.gz HEXDRZPWCXIIDA-GHMZBOCLSA-N 1 3 229.368 0.770 20 0 BCADHO C[C@@](C[NH3+])(NC[C@H]1CCc2ncnn21)C1CC1 ZINC000631822553 372598358 /nfs/dbraw/zinc/59/83/58/372598358.db2.gz HVDUFSKPHHOYHW-PWSUYJOCSA-N 1 3 235.335 0.482 20 0 BCADHO C[C@](C[NH3+])(NC[C@H]1CCc2ncnn21)C1CC1 ZINC000631822554 372598523 /nfs/dbraw/zinc/59/85/23/372598523.db2.gz HVDUFSKPHHOYHW-ZYHUDNBSSA-N 1 3 235.335 0.482 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827404 372607952 /nfs/dbraw/zinc/60/79/52/372607952.db2.gz NSAQHQKOXBTBCH-QWRGUYRKSA-N 1 3 249.362 0.743 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@@H]1CCc2ncnn21 ZINC000631827404 372607954 /nfs/dbraw/zinc/60/79/54/372607954.db2.gz NSAQHQKOXBTBCH-QWRGUYRKSA-N 1 3 249.362 0.743 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1CCc2ncnn21 ZINC000631827560 372607991 /nfs/dbraw/zinc/60/79/91/372607991.db2.gz QKJJMZPPDHETDZ-VHSXEESVSA-N 1 3 237.351 0.728 20 0 BCADHO C[NH2+]CCCN(C)C[C@H]1CCO[C@H]1C ZINC000631828820 372609729 /nfs/dbraw/zinc/60/97/29/372609729.db2.gz ZBQAKURCDQBBTH-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@H+](C)C[C@H]1CCO[C@H]1C ZINC000631828820 372609732 /nfs/dbraw/zinc/60/97/32/372609732.db2.gz ZBQAKURCDQBBTH-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@@H+](C)C[C@H]1CCO[C@H]1C ZINC000631828820 372609734 /nfs/dbraw/zinc/60/97/34/372609734.db2.gz ZBQAKURCDQBBTH-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1CC2CC1(C[NH3+])C2 ZINC000631829622 372610332 /nfs/dbraw/zinc/61/03/32/372610332.db2.gz WHYUPSGIEMQMJQ-UZEXVOJHSA-N 1 3 210.321 0.835 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@@H]1CCCCO1 ZINC000631830094 372612965 /nfs/dbraw/zinc/61/29/65/372612965.db2.gz JCZFTHDIFCSRCP-LBPRGKRZSA-N 1 3 230.352 0.723 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C[C@@H]2CNCCO2)C1 ZINC000631835062 372621176 /nfs/dbraw/zinc/62/11/76/372621176.db2.gz LMJRZIRLLKXXDU-NEPJUHHUSA-N 1 3 227.352 0.178 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631838035 372632266 /nfs/dbraw/zinc/63/22/66/372632266.db2.gz YVHGLLKMGYTBIX-GMTAPVOTSA-N 1 3 235.335 0.292 20 0 BCADHO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000631840842 372638217 /nfs/dbraw/zinc/63/82/17/372638217.db2.gz FYWZKVBBVHYNOX-ZWNOBZJWSA-N 1 3 247.342 0.812 20 0 BCADHO CCCCOCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000040507194 373371013 /nfs/dbraw/zinc/37/10/13/373371013.db2.gz ZWSPTCQWVUAWAO-ZDUSSCGKSA-N 1 3 244.379 0.849 20 0 BCADHO O=C(NCCN1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000049575454 182184297 /nfs/dbraw/zinc/18/42/97/182184297.db2.gz GVXOGHVZMABGKF-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCCNCC1 ZINC000333705574 182292432 /nfs/dbraw/zinc/29/24/32/182292432.db2.gz RLDXFLGAHOQGLY-LLVKDONJSA-N 1 3 240.351 0.133 20 0 BCADHO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCCCN1 ZINC000368385053 182326107 /nfs/dbraw/zinc/32/61/07/182326107.db2.gz LIDYGTUEWSUEHH-QWRGUYRKSA-N 1 3 237.347 0.387 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC)[C@H]1CC[NH2+]C1 ZINC000178408206 134310197 /nfs/dbraw/zinc/31/01/97/134310197.db2.gz OMIJXRMNDDUHLV-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000337515959 169006173 /nfs/dbraw/zinc/00/61/73/169006173.db2.gz QBNZROOBCVYUAX-DCAQKATOSA-N 1 3 227.352 0.700 20 0 BCADHO CCCC[C@H](N)C(=O)NCCC[NH+](C)C ZINC000037480482 169007461 /nfs/dbraw/zinc/00/74/61/169007461.db2.gz YAJQVSLYRWOGRO-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000037480419 169007747 /nfs/dbraw/zinc/00/77/47/169007747.db2.gz RGQMCIBQWPNPKL-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309768747 169007938 /nfs/dbraw/zinc/00/79/38/169007938.db2.gz JYXDXZFONMMEJC-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C(N)C(F)(F)F ZINC000353189220 169001943 /nfs/dbraw/zinc/00/19/43/169001943.db2.gz UFNHLRWYYPKUKL-RNFRBKRXSA-N 1 3 241.257 0.510 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000359314623 169070033 /nfs/dbraw/zinc/07/00/33/169070033.db2.gz DPUDZCJBNXGBBO-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CCCN(C)CC(=O)NCC[N@H+](C)C1CC1 ZINC000358598465 169071217 /nfs/dbraw/zinc/07/12/17/169071217.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN(C)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000358598465 169071219 /nfs/dbraw/zinc/07/12/19/169071219.db2.gz VJMMTYLSQHSBLR-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC ZINC000358939837 169073489 /nfs/dbraw/zinc/07/34/89/169073489.db2.gz UQHAEWXXHGBWRA-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357421225 169075863 /nfs/dbraw/zinc/07/58/63/169075863.db2.gz SQFICSWDJABNSK-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357421225 169075865 /nfs/dbraw/zinc/07/58/65/169075865.db2.gz SQFICSWDJABNSK-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000309616760 169065935 /nfs/dbraw/zinc/06/59/35/169065935.db2.gz OACSLOMRDDYWHT-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO CCCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336679243 169079699 /nfs/dbraw/zinc/07/96/99/169079699.db2.gz FVJOEDFFVYPXNY-NSHDSACASA-N 1 3 200.326 0.783 20 0 BCADHO CCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336679243 169079701 /nfs/dbraw/zinc/07/97/01/169079701.db2.gz FVJOEDFFVYPXNY-NSHDSACASA-N 1 3 200.326 0.783 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@]1(F)CCNC1 ZINC000378204441 169123798 /nfs/dbraw/zinc/12/37/98/169123798.db2.gz WDTBOHHRSFKGGJ-LBPRGKRZSA-N 1 3 245.342 0.536 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@]1(F)CCNC1 ZINC000378204441 169123801 /nfs/dbraw/zinc/12/38/01/169123801.db2.gz WDTBOHHRSFKGGJ-LBPRGKRZSA-N 1 3 245.342 0.536 20 0 BCADHO CCCN(CC[C@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919245 169171257 /nfs/dbraw/zinc/17/12/57/169171257.db2.gz CJBRIPNVBFOVLM-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)CNC)CC1 ZINC000236758900 169186614 /nfs/dbraw/zinc/18/66/14/169186614.db2.gz LMYIHSTUSVFTEX-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CCC[NH+]1CCC(N[C@@H]2CCC(=O)NC2)CC1 ZINC000111018488 169189123 /nfs/dbraw/zinc/18/91/23/169189123.db2.gz GBDYVFYRTJJYCL-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000373799141 169193735 /nfs/dbraw/zinc/19/37/35/169193735.db2.gz HGEUDIAFGWLZTP-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236763757 169195229 /nfs/dbraw/zinc/19/52/29/169195229.db2.gz QHJDCFCQQPSESD-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000358950052 169198272 /nfs/dbraw/zinc/19/82/72/169198272.db2.gz WKZMQCXPNKMQBO-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236765772 169199037 /nfs/dbraw/zinc/19/90/37/169199037.db2.gz XSLKXFQHIOBEPQ-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236766306 169200099 /nfs/dbraw/zinc/20/00/99/169200099.db2.gz YSRAZLGDMHHHJJ-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000070074297 169240798 /nfs/dbraw/zinc/24/07/98/169240798.db2.gz KJOIJGQWUCKJRC-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000224295281 169246647 /nfs/dbraw/zinc/24/66/47/169246647.db2.gz KJOIJGQWUCKJRC-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000178818600 134315522 /nfs/dbraw/zinc/31/55/22/134315522.db2.gz VTEVNAGCTAXDQD-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000178818600 134315523 /nfs/dbraw/zinc/31/55/23/134315523.db2.gz VTEVNAGCTAXDQD-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000340157388 169501259 /nfs/dbraw/zinc/50/12/59/169501259.db2.gz WEWTUXBSCYNQNY-MXWKQRLJSA-N 1 3 227.352 0.700 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373830670 169547101 /nfs/dbraw/zinc/54/71/01/169547101.db2.gz DVVISZXDFYOLTR-UMNHJUIQSA-N 1 3 225.336 0.182 20 0 BCADHO CC1(CNC(=O)[C@H]2CCCCN2)CC[NH2+]CC1 ZINC000183363510 134350994 /nfs/dbraw/zinc/35/09/94/134350994.db2.gz QSRQAMDOTUJWJE-LLVKDONJSA-N 1 3 239.363 0.634 20 0 BCADHO CCN1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000165323458 535472344 /nfs/dbraw/zinc/47/23/44/535472344.db2.gz FSHLWTHCSNXGKC-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812660 383863086 /nfs/dbraw/zinc/86/30/86/383863086.db2.gz KKPQCLFVBATCJJ-DGCLKSJQSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131862303 383873593 /nfs/dbraw/zinc/87/35/93/383873593.db2.gz XVXNZRRLRBIHKC-GUBZILKMSA-N 1 3 213.325 0.179 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000357234019 383964447 /nfs/dbraw/zinc/96/44/47/383964447.db2.gz AFSNEXVQTZKIGB-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946071 383972682 /nfs/dbraw/zinc/97/26/82/383972682.db2.gz ZCHMETFJKSZINN-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946071 383972687 /nfs/dbraw/zinc/97/26/87/383972687.db2.gz ZCHMETFJKSZINN-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1NCCN(C(=O)CCC(C)(C)[NH3+])[C@H]1C ZINC000648127347 384022260 /nfs/dbraw/zinc/02/22/60/384022260.db2.gz MCFOTBOIMYAMKE-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H]1C ZINC000648127728 384054013 /nfs/dbraw/zinc/05/40/13/384054013.db2.gz UFYGFMVANOARFT-GUBZILKMSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000648127732 384053665 /nfs/dbraw/zinc/05/36/65/384053665.db2.gz UQGFMBNISOGHFZ-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186843846 384054363 /nfs/dbraw/zinc/05/43/63/384054363.db2.gz LZYDPAJLMKJWID-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336538693 384091093 /nfs/dbraw/zinc/09/10/93/384091093.db2.gz VVHGSLATDOXCOU-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCCN1C)C1CC1 ZINC000310226252 384128009 /nfs/dbraw/zinc/12/80/09/384128009.db2.gz GVPFZPCPERZOSH-QWHCGFSZSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)C1(N)CCCC1 ZINC000648139734 384166497 /nfs/dbraw/zinc/16/64/97/384166497.db2.gz IEDHHKBEMBOYBD-SNVBAGLBSA-N 1 3 227.352 0.892 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178405234 384167107 /nfs/dbraw/zinc/16/71/07/384167107.db2.gz PZSOWNOOFPTANV-STQMWFEESA-N 1 3 247.342 0.364 20 0 BCADHO C[NH+]1CCC(CNCc2cn[nH]c2)CC1 ZINC000054243275 384203026 /nfs/dbraw/zinc/20/30/26/384203026.db2.gz PYEKUVZPFQBIIW-UHFFFAOYSA-N 1 3 208.309 0.841 20 0 BCADHO C[C@@H](C(=O)NCC[NH3+])N1CCCCCC1 ZINC000237469349 384219369 /nfs/dbraw/zinc/21/93/69/384219369.db2.gz NYXFSUYLJGMNNG-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C1(N)CCCC1 ZINC000648144313 384249046 /nfs/dbraw/zinc/24/90/46/384249046.db2.gz DXMGDPCQRLWQJP-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])N(C)C1CC1 ZINC000235484373 384249803 /nfs/dbraw/zinc/24/98/03/384249803.db2.gz KKKUIRQKPRMSLH-UTLUCORTSA-N 1 3 227.352 0.569 20 0 BCADHO COC[C@H]([NH2+]C1CCNCC1)C(C)C ZINC000083397978 384296088 /nfs/dbraw/zinc/29/60/88/384296088.db2.gz KKUSIBAGWJNUOZ-NSHDSACASA-N 1 3 200.326 0.999 20 0 BCADHO COC[C@H](NC1CC[NH2+]CC1)C(C)C ZINC000083397978 384296092 /nfs/dbraw/zinc/29/60/92/384296092.db2.gz KKUSIBAGWJNUOZ-NSHDSACASA-N 1 3 200.326 0.999 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000335603045 384372102 /nfs/dbraw/zinc/37/21/02/384372102.db2.gz ILZPUTYEAWIJEO-SNVBAGLBSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000178703012 384389251 /nfs/dbraw/zinc/38/92/51/384389251.db2.gz ZQQOSEASRYKMAS-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CCNC(=O)[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000248983188 384445833 /nfs/dbraw/zinc/44/58/33/384445833.db2.gz FXERRLMPWAGLDD-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CCCC[NH+]1CCC(NC(=O)CN)CC1 ZINC000037005004 384471437 /nfs/dbraw/zinc/47/14/37/384471437.db2.gz RPGXMPWDJBYMFG-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO NC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454342 384476560 /nfs/dbraw/zinc/47/65/60/384476560.db2.gz QMLHQFXUVKTPHK-VXGBXAGGSA-N 1 3 233.315 0.207 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180585 384477017 /nfs/dbraw/zinc/47/70/17/384477017.db2.gz ITIPILGKDUMDGG-GHMZBOCLSA-N 1 3 239.363 0.761 20 0 BCADHO COC[C@@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000569595762 384486125 /nfs/dbraw/zinc/48/61/25/384486125.db2.gz UXUHOSPDLBXANO-OLZOCXBDSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000569595762 384486142 /nfs/dbraw/zinc/48/61/42/384486142.db2.gz UXUHOSPDLBXANO-OLZOCXBDSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000569595762 384486145 /nfs/dbraw/zinc/48/61/45/384486145.db2.gz UXUHOSPDLBXANO-OLZOCXBDSA-N 1 3 244.379 0.704 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](CCCO)C1 ZINC000304287090 384511727 /nfs/dbraw/zinc/51/17/27/384511727.db2.gz AYAWNAVKPOGJDQ-NSHDSACASA-N 1 3 200.326 0.642 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](CCCO)C1 ZINC000304287090 384511732 /nfs/dbraw/zinc/51/17/32/384511732.db2.gz AYAWNAVKPOGJDQ-NSHDSACASA-N 1 3 200.326 0.642 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000161854097 384535369 /nfs/dbraw/zinc/53/53/69/384535369.db2.gz ISZYSOWMFFIVMH-LBPRGKRZSA-N 1 3 222.336 0.767 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000161854097 384535377 /nfs/dbraw/zinc/53/53/77/384535377.db2.gz ISZYSOWMFFIVMH-LBPRGKRZSA-N 1 3 222.336 0.767 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236649642 384544047 /nfs/dbraw/zinc/54/40/47/384544047.db2.gz HZIGRUMUGIONRQ-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)([NH3+])CNC(=O)C[C@H](N)Cc1ccccc1 ZINC000561182306 384546585 /nfs/dbraw/zinc/54/65/85/384546585.db2.gz IDRZJDWMHSDNFL-GFCCVEGCSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373039254 384551086 /nfs/dbraw/zinc/55/10/86/384551086.db2.gz BCEKZYUZCSYOOZ-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000151272232 384558315 /nfs/dbraw/zinc/55/83/15/384558315.db2.gz WCKSNFUBSXSZKU-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CNC ZINC000236753624 384571645 /nfs/dbraw/zinc/57/16/45/384571645.db2.gz QMXKXSXFAPIASS-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CNC ZINC000236753624 384571652 /nfs/dbraw/zinc/57/16/52/384571652.db2.gz QMXKXSXFAPIASS-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236842645 384588646 /nfs/dbraw/zinc/58/86/46/384588646.db2.gz FWKKYXQZVJLHJX-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236843205 384588874 /nfs/dbraw/zinc/58/88/74/384588874.db2.gz XZFBUFPKESXZCB-GFCCVEGCSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](O)C[NH2+][C@@H](CO)CCN(CC)CC ZINC000647530475 384612914 /nfs/dbraw/zinc/61/29/14/384612914.db2.gz SLCHILHRIULXEE-VXGBXAGGSA-N 1 3 232.368 0.440 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCCC[NH3+] ZINC000040832506 384596508 /nfs/dbraw/zinc/59/65/08/384596508.db2.gz SNWLLGQDCHWERT-JTQLQIEISA-N 1 3 201.314 0.359 20 0 BCADHO CC[C@](C)(CN1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000319905314 384597212 /nfs/dbraw/zinc/59/72/12/384597212.db2.gz QMQYPWQLFJWBCI-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO CC[C@](C)([NH2+]CC[C@H]1CCCN1C)C(N)=O ZINC000309843563 384664466 /nfs/dbraw/zinc/66/44/66/384664466.db2.gz FIYJHYBVUWFGMK-PWSUYJOCSA-N 1 3 227.352 0.714 20 0 BCADHO COC[C@H](C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000045695883 384666321 /nfs/dbraw/zinc/66/63/21/384666321.db2.gz WDKAXNKSKSYPSD-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO Cc1[nH]ncc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533494 384642611 /nfs/dbraw/zinc/64/26/11/384642611.db2.gz STXBKCFLDGXODR-JQWIXIFHSA-N 1 3 220.320 0.902 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449604197 384691276 /nfs/dbraw/zinc/69/12/76/384691276.db2.gz SOTFTZWSUHUCGQ-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO F[C@@H]1CN[C@H](CN[C@@H]2CCC[NH2+]C2)C1 ZINC000647548052 384749615 /nfs/dbraw/zinc/74/96/15/384749615.db2.gz SUZGKRIHZODXFT-AEJSXWLSSA-N 1 3 201.289 0.028 20 0 BCADHO C[C@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H](F)CN2)C1 ZINC000647548030 384750059 /nfs/dbraw/zinc/75/00/59/384750059.db2.gz SEYYVZJVNVLPDY-YTWAJWBKSA-N 1 3 215.316 0.274 20 0 BCADHO C[C@H]1C[NH2+]C[C@@H](NC[C@@H]2C[C@H](F)CN2)C1 ZINC000647548029 384750316 /nfs/dbraw/zinc/75/03/16/384750316.db2.gz SEYYVZJVNVLPDY-RCWTZXSCSA-N 1 3 215.316 0.274 20 0 BCADHO CCOC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325658 384751346 /nfs/dbraw/zinc/75/13/46/384751346.db2.gz FDLNXOYOGRMRAK-NXEZZACHSA-N 1 3 214.309 0.466 20 0 BCADHO CCOC(=O)CCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325660 384752558 /nfs/dbraw/zinc/75/25/58/384752558.db2.gz FDLNXOYOGRMRAK-VHSXEESVSA-N 1 3 214.309 0.466 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000335435550 384760859 /nfs/dbraw/zinc/76/08/59/384760859.db2.gz UECSLNILOMBOTN-ZJUUUORDSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](CNC(=O)C1CC[NH2+]CC1)N1CCCC1 ZINC000083883711 384772795 /nfs/dbraw/zinc/77/27/95/384772795.db2.gz SPNLDCJBCJLBTK-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO COC(=O)CCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000126977788 384835046 /nfs/dbraw/zinc/83/50/46/384835046.db2.gz MOERWAKBVNUDOM-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000101522400 384783919 /nfs/dbraw/zinc/78/39/19/384783919.db2.gz RIVPKMFRIXJODF-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000648188093 384799844 /nfs/dbraw/zinc/79/98/44/384799844.db2.gz RIEIBJIRPLORJI-HRDYMLBCSA-N 1 3 215.341 0.602 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000648188092 384800173 /nfs/dbraw/zinc/80/01/73/384800173.db2.gz RIEIBJIRPLORJI-DJLDLDEBSA-N 1 3 215.341 0.602 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1(N)CCCC1 ZINC000648187914 384800220 /nfs/dbraw/zinc/80/02/20/384800220.db2.gz CGMXHSBJTAXIOJ-DTWKUNHWSA-N 1 3 213.325 0.500 20 0 BCADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)CC(N)=O ZINC000308558767 384805744 /nfs/dbraw/zinc/80/57/44/384805744.db2.gz CXEMYHLHEBTWJL-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000449661073 384841765 /nfs/dbraw/zinc/84/17/65/384841765.db2.gz ZAMNIGUKKGZCCA-WCBMZHEXSA-N 1 3 249.305 0.617 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205616 384842035 /nfs/dbraw/zinc/84/20/35/384842035.db2.gz JTZDUZUEUOWPLJ-UWVGGRQHSA-N 1 3 225.336 0.515 20 0 BCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)N ZINC000236934976 384849734 /nfs/dbraw/zinc/84/97/34/384849734.db2.gz CJELPYBDEFPZNX-SNVBAGLBSA-N 1 3 245.367 0.197 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210094 384852268 /nfs/dbraw/zinc/85/22/68/384852268.db2.gz JTZDUZUEUOWPLJ-ZJUUUORDSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000104448488 384855355 /nfs/dbraw/zinc/85/53/55/384855355.db2.gz KYDUPEVSESBOQM-SNVBAGLBSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@H](C)N)c1 ZINC000237107880 384927155 /nfs/dbraw/zinc/92/71/55/384927155.db2.gz WPVODTLUMIXHFU-QMMMGPOBSA-N 1 3 207.277 0.692 20 0 BCADHO C[C@@H](C(=O)NCCN1CCC(C)CC1)[C@H](C)[NH3+] ZINC000156742326 384946792 /nfs/dbraw/zinc/94/67/92/384946792.db2.gz IVOOXPXOLGONRH-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC000557481190 384969721 /nfs/dbraw/zinc/96/97/21/384969721.db2.gz HPFNRPDJCAUFLY-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH+](C)Cc1cccc(CNC(=O)CN)c1 ZINC000164419811 384984357 /nfs/dbraw/zinc/98/43/57/384984357.db2.gz TXSGOEHHUBPWSY-UHFFFAOYSA-N 1 3 221.304 0.323 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023752 384993531 /nfs/dbraw/zinc/99/35/31/384993531.db2.gz ZAMSGQAZDDQKKC-QJPTWQEYSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023752 384993536 /nfs/dbraw/zinc/99/35/36/384993536.db2.gz ZAMSGQAZDDQKKC-QJPTWQEYSA-N 1 3 239.363 0.713 20 0 BCADHO CCN(CCNC(=O)[C@H]1CC[NH2+]C1)C1CC1 ZINC000226398169 385006760 /nfs/dbraw/zinc/00/67/60/385006760.db2.gz SPFPNKVGJMNQIU-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CC[N@H+](CCNC(=O)C1(N)CC1)C1CC1 ZINC000226397317 385006950 /nfs/dbraw/zinc/00/69/50/385006950.db2.gz OXMUBNZXAYEXPU-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CC[N@@H+](CCNC(=O)C1(N)CC1)C1CC1 ZINC000226397317 385006962 /nfs/dbraw/zinc/00/69/62/385006962.db2.gz OXMUBNZXAYEXPU-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CN(C)CCn1ccc(NC(=O)CCC[NH3+])n1 ZINC000236989324 385008574 /nfs/dbraw/zinc/00/85/74/385008574.db2.gz CTIJWOSMPYEMSD-UHFFFAOYSA-N 1 3 239.323 0.122 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000226397920 385009354 /nfs/dbraw/zinc/00/93/54/385009354.db2.gz UCGFBFBULLNBMF-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCCN1CCOCC1 ZINC000404758765 385052491 /nfs/dbraw/zinc/05/24/91/385052491.db2.gz BBAIKYZUXFMECL-VXGBXAGGSA-N 1 3 241.379 0.424 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCCN1CCOCC1 ZINC000404758763 385052761 /nfs/dbraw/zinc/05/27/61/385052761.db2.gz BBAIKYZUXFMECL-RYUDHWBXSA-N 1 3 241.379 0.424 20 0 BCADHO COC(=O)CCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000377391480 385054229 /nfs/dbraw/zinc/05/42/29/385054229.db2.gz KENAXTNWDODPGV-CYBMUJFWSA-N 1 3 240.347 0.967 20 0 BCADHO COC(=O)CCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000377391480 385054231 /nfs/dbraw/zinc/05/42/31/385054231.db2.gz KENAXTNWDODPGV-CYBMUJFWSA-N 1 3 240.347 0.967 20 0 BCADHO CN(CCNC(=O)c1ccc(C[NH3+])cc1)C1CC1 ZINC000059931311 385056950 /nfs/dbraw/zinc/05/69/50/385056950.db2.gz RZEIUJLFMXGCSU-UHFFFAOYSA-N 1 3 247.342 0.969 20 0 BCADHO O=C(NCC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000647640698 385068706 /nfs/dbraw/zinc/06/87/06/385068706.db2.gz ZPLKTIPALRPIHG-NSHDSACASA-N 1 3 225.336 0.244 20 0 BCADHO N[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985254 385111502 /nfs/dbraw/zinc/11/15/02/385111502.db2.gz VIDZKSLIMPXVOL-GHMZBOCLSA-N 1 3 225.336 0.372 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646987422 385113086 /nfs/dbraw/zinc/11/30/86/385113086.db2.gz WUAXHUYSCKXTQC-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990492 385126178 /nfs/dbraw/zinc/12/61/78/385126178.db2.gz KLUJLWLMUAMCNT-SECBINFHSA-N 1 3 233.315 0.643 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990552 385126791 /nfs/dbraw/zinc/12/67/91/385126791.db2.gz OXNCQXRNPDGVLF-CYBMUJFWSA-N 1 3 247.342 0.889 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000246240267 385132782 /nfs/dbraw/zinc/13/27/82/385132782.db2.gz IRJGTILJGFOWAD-JFGNBEQYSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)CC[NH2+]1 ZINC000647018320 385142501 /nfs/dbraw/zinc/14/25/01/385142501.db2.gz BLQHRCMNLKQZRZ-MIMYLULJSA-N 1 3 225.336 0.371 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000157286312 385136429 /nfs/dbraw/zinc/13/64/29/385136429.db2.gz YABOFKWGGPVFSE-NXEZZACHSA-N 1 3 245.392 0.229 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CC[C@H]1[NH3+] ZINC000647002248 385136973 /nfs/dbraw/zinc/13/69/73/385136973.db2.gz ZGLUGEZKZAMJRS-MXWKQRLJSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CC[C@@H]1[NH3+] ZINC000647015038 385139540 /nfs/dbraw/zinc/13/95/40/385139540.db2.gz FWPNTEZBARMFRR-VWYCJHECSA-N 1 3 239.363 0.570 20 0 BCADHO COC[C@H](CN[C@H]1C[C@H]([NH3+])C1(C)C)OC ZINC000404842986 385104595 /nfs/dbraw/zinc/10/45/95/385104595.db2.gz CHRCPQRULVJOPB-GUBZILKMSA-N 1 3 216.325 0.363 20 0 BCADHO COC[C@H](C[NH2+][C@H]1C[C@H](N)C1(C)C)OC ZINC000404842986 385104601 /nfs/dbraw/zinc/10/46/01/385104601.db2.gz CHRCPQRULVJOPB-GUBZILKMSA-N 1 3 216.325 0.363 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000647051336 385187719 /nfs/dbraw/zinc/18/77/19/385187719.db2.gz QFPRCKALUFIWJN-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000062964616 385198725 /nfs/dbraw/zinc/19/87/25/385198725.db2.gz QXOJLBIVVAQDPR-ZDUSSCGKSA-N 1 3 247.342 0.921 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000246291033 385145228 /nfs/dbraw/zinc/14/52/28/385145228.db2.gz NFQDIYRTZKPSDR-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449753449 385154878 /nfs/dbraw/zinc/15/48/78/385154878.db2.gz OONGJDOESHPJKI-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000647023222 385155612 /nfs/dbraw/zinc/15/56/12/385155612.db2.gz SVFYOBSCTHZREP-KOLCDFICSA-N 1 3 221.304 0.192 20 0 BCADHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246487224 385171001 /nfs/dbraw/zinc/17/10/01/385171001.db2.gz XBJDOLQEDCXNHU-UTUOFQBUSA-N 1 3 237.347 0.420 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647054984 385201408 /nfs/dbraw/zinc/20/14/08/385201408.db2.gz GJDRWVLPSGDTCH-VHSXEESVSA-N 1 3 225.336 0.228 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2CCSC2)CC1 ZINC000308847030 385206239 /nfs/dbraw/zinc/20/62/39/385206239.db2.gz ALRCBLJMNGGXRJ-SNVBAGLBSA-N 1 3 230.377 0.538 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364176803 385219416 /nfs/dbraw/zinc/21/94/16/385219416.db2.gz PKQNPQVSTRPFNS-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCN(C)C ZINC000252716537 385226784 /nfs/dbraw/zinc/22/67/84/385226784.db2.gz YSCZKPPXZQUTQB-VXGBXAGGSA-N 1 3 213.369 0.868 20 0 BCADHO C[C@H]1CN(C)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000108356761 385233655 /nfs/dbraw/zinc/23/36/55/385233655.db2.gz JNEJUWQHHRHPLY-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000647086387 385248577 /nfs/dbraw/zinc/24/85/77/385248577.db2.gz AUQFHLUNIGPQEZ-FXPVBKGRSA-N 1 3 213.325 0.167 20 0 BCADHO COC(=O)[C@@H](C)C[N@H+](C)CC(C)(C)N ZINC000308897666 385250346 /nfs/dbraw/zinc/25/03/46/385250346.db2.gz AUPYDXNEDIHQSD-QMMMGPOBSA-N 1 3 202.298 0.465 20 0 BCADHO COC(=O)[C@@H](C)C[N@@H+](C)CC(C)(C)N ZINC000308897666 385250353 /nfs/dbraw/zinc/25/03/53/385250353.db2.gz AUPYDXNEDIHQSD-QMMMGPOBSA-N 1 3 202.298 0.465 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C[C@H]1C[NH3+] ZINC000647086840 385251643 /nfs/dbraw/zinc/25/16/43/385251643.db2.gz MVCSJZCOMXSISE-MXWKQRLJSA-N 1 3 239.363 0.428 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000167466928 385317801 /nfs/dbraw/zinc/31/78/01/385317801.db2.gz IATKBIPGRJJALH-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000227881363 385266638 /nfs/dbraw/zinc/26/66/38/385266638.db2.gz FWOAMLOFZJKVCD-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368641974 385287497 /nfs/dbraw/zinc/28/74/97/385287497.db2.gz IUDPLDCPUDXXGP-ATZCPNFKSA-N 1 3 231.315 0.320 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000164959389 385330829 /nfs/dbraw/zinc/33/08/29/385330829.db2.gz FIFDPUWAZYWIIA-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)CC[NH3+])C1 ZINC000164997651 385334668 /nfs/dbraw/zinc/33/46/68/385334668.db2.gz UJFVDJDDAXPZPY-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000643973996 385338143 /nfs/dbraw/zinc/33/81/43/385338143.db2.gz QTQXHLCFWJJPTR-RKDXNWHRSA-N 1 3 247.289 0.181 20 0 BCADHO C[C@@H](N)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000165017205 385339146 /nfs/dbraw/zinc/33/91/46/385339146.db2.gz GMCPABWEOTXCMX-IJLUTSLNSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](N)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000165019094 385340235 /nfs/dbraw/zinc/34/02/35/385340235.db2.gz GMCPABWEOTXCMX-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H](C(=O)NCCN1CCCC1)[C@H](C)[NH3+] ZINC000165115691 385350698 /nfs/dbraw/zinc/35/06/98/385350698.db2.gz QHTKOHBVHIBYCU-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH+](C)CCN(Cc1cccs1)C(=O)CN ZINC000076623962 385361577 /nfs/dbraw/zinc/36/15/77/385361577.db2.gz YSOVJYCVFZJBQT-UHFFFAOYSA-N 1 3 241.360 0.597 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309018709 385372866 /nfs/dbraw/zinc/37/28/66/385372866.db2.gz VRXBGXWTLGDBEB-DTWKUNHWSA-N 1 3 201.314 0.071 20 0 BCADHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(N)=O ZINC000309079951 385400141 /nfs/dbraw/zinc/40/01/41/385400141.db2.gz OECRIKOARXWLPL-JTQLQIEISA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(N)=O ZINC000309079951 385400145 /nfs/dbraw/zinc/40/01/45/385400145.db2.gz OECRIKOARXWLPL-JTQLQIEISA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(N)=O ZINC000309079951 385400148 /nfs/dbraw/zinc/40/01/48/385400148.db2.gz OECRIKOARXWLPL-JTQLQIEISA-N 1 3 215.341 0.570 20 0 BCADHO [NH3+]C[C@H](NC(=O)[C@H]1CNCCC1(F)F)C1CC1 ZINC000644068857 385417820 /nfs/dbraw/zinc/41/78/20/385417820.db2.gz UBGNIUAMOLZWGO-BDAKNGLRSA-N 1 3 247.289 0.085 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000644078909 385421964 /nfs/dbraw/zinc/42/19/64/385421964.db2.gz UILGNPMSZQVLHX-NXEZZACHSA-N 1 3 225.336 0.100 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000644089816 385441816 /nfs/dbraw/zinc/44/18/16/385441816.db2.gz NKDDZMNYBDDXSR-BDAKNGLRSA-N 1 3 247.289 0.052 20 0 BCADHO C[C@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000194950231 385453913 /nfs/dbraw/zinc/45/39/13/385453913.db2.gz SPLBMKMBEFRMAD-LBPRGKRZSA-N 1 3 243.395 0.325 20 0 BCADHO C[C@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000194950231 385453916 /nfs/dbraw/zinc/45/39/16/385453916.db2.gz SPLBMKMBEFRMAD-LBPRGKRZSA-N 1 3 243.395 0.325 20 0 BCADHO C[C@H](NC(=O)[C@H]1NCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000644082245 385429618 /nfs/dbraw/zinc/42/96/18/385429618.db2.gz RKBNSMPXOUNVET-GARJFASQSA-N 1 3 239.363 0.489 20 0 BCADHO CCCN(C(=O)[C@@H]1NCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000644085362 385430428 /nfs/dbraw/zinc/43/04/28/385430428.db2.gz XYDUNQSJJDJYJX-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000644084990 385431251 /nfs/dbraw/zinc/43/12/51/385431251.db2.gz AEDWRHZGZFSEMD-ZETCQYMHSA-N 1 3 235.278 0.085 20 0 BCADHO O=C(NCC[NH2+]C1CC1)[C@H]1CNCCC1(F)F ZINC000644084227 385433661 /nfs/dbraw/zinc/43/36/61/385433661.db2.gz NVDPSNWTJGTKBW-SECBINFHSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCCO1 ZINC000309201042 385475921 /nfs/dbraw/zinc/47/59/21/385475921.db2.gz AIWBQTATCFBJJS-VXGBXAGGSA-N 1 3 230.352 0.722 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364185 385506302 /nfs/dbraw/zinc/50/63/02/385506302.db2.gz VQHJAERWXZBVTG-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000644127315 385507243 /nfs/dbraw/zinc/50/72/43/385507243.db2.gz OHSWIQPNTJIHRB-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000644127316 385508202 /nfs/dbraw/zinc/50/82/02/385508202.db2.gz OHSWIQPNTJIHRB-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000644131448 385512145 /nfs/dbraw/zinc/51/21/45/385512145.db2.gz FBTNMXCYUFAORF-VHSXEESVSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)NC1CC1 ZINC000449072881 385514237 /nfs/dbraw/zinc/51/42/37/385514237.db2.gz HBCGMZBKSHIPPM-SCVCMEIPSA-N 1 3 239.363 0.855 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCn1cccn1 ZINC000163726973 134453749 /nfs/dbraw/zinc/45/37/49/134453749.db2.gz OVYVEFKIJPVTPL-NWDGAFQWSA-N 1 3 222.336 0.990 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000364990978 385557266 /nfs/dbraw/zinc/55/72/66/385557266.db2.gz XIVRUYOSRKRUJG-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364990978 385557270 /nfs/dbraw/zinc/55/72/70/385557270.db2.gz XIVRUYOSRKRUJG-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365092622 385594741 /nfs/dbraw/zinc/59/47/41/385594741.db2.gz ILUBIMNCMIIQCO-SKDRFNHKSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000309466585 385594937 /nfs/dbraw/zinc/59/49/37/385594937.db2.gz QCMZNZXZPLOVAQ-NXEZZACHSA-N 1 3 213.325 0.167 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000054074229 385597416 /nfs/dbraw/zinc/59/74/16/385597416.db2.gz QCMNKDRKDXBOBV-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO CN(C)C1(CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000493655567 385589918 /nfs/dbraw/zinc/58/99/18/385589918.db2.gz GQFAQBMUGLGHBO-WAYWQWQTSA-N 1 3 225.336 0.315 20 0 BCADHO CCC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309509974 385643999 /nfs/dbraw/zinc/64/39/99/385643999.db2.gz XACXLMJKTUDZLD-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309514281 385646763 /nfs/dbraw/zinc/64/67/63/385646763.db2.gz YFDBYBRBRVPDKF-KOLCDFICSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000308984164 385681418 /nfs/dbraw/zinc/68/14/18/385681418.db2.gz JCKIWZJTYLGQMG-MRVPVSSYSA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221955 385688603 /nfs/dbraw/zinc/68/86/03/385688603.db2.gz SLXDXVJBYCGTCO-LBPRGKRZSA-N 1 3 248.330 0.468 20 0 BCADHO O[C@@H](C[NH2+]CCc1ccco1)CN1CCCC1 ZINC000038059453 385707219 /nfs/dbraw/zinc/70/72/19/385707219.db2.gz HAGKDOJKUUOCLB-LBPRGKRZSA-N 1 3 238.331 0.868 20 0 BCADHO CC[C@H](COC)[NH2+][C@H]1CCNC[C@H]1C ZINC000336698699 385752063 /nfs/dbraw/zinc/75/20/63/385752063.db2.gz VPJHSRHUTJWNFK-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@H](COC)N[C@H]1CC[NH2+]C[C@H]1C ZINC000336698699 385752070 /nfs/dbraw/zinc/75/20/70/385752070.db2.gz VPJHSRHUTJWNFK-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH3+])N(C)C ZINC000309649488 385770147 /nfs/dbraw/zinc/77/01/47/385770147.db2.gz XGQZTVJNWWYAQI-DTWKUNHWSA-N 1 3 201.314 0.036 20 0 BCADHO CCCCNC(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000337744527 385772951 /nfs/dbraw/zinc/77/29/51/385772951.db2.gz FPNMZLCPDQWJAX-CYBMUJFWSA-N 1 3 241.379 0.964 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000337744527 385772954 /nfs/dbraw/zinc/77/29/54/385772954.db2.gz FPNMZLCPDQWJAX-CYBMUJFWSA-N 1 3 241.379 0.964 20 0 BCADHO CCCCNC(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000337744527 385772959 /nfs/dbraw/zinc/77/29/59/385772959.db2.gz FPNMZLCPDQWJAX-CYBMUJFWSA-N 1 3 241.379 0.964 20 0 BCADHO CC(=O)N1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000336703237 385773143 /nfs/dbraw/zinc/77/31/43/385773143.db2.gz KKJJTUMZHYLZKN-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000186812084 385800154 /nfs/dbraw/zinc/80/01/54/385800154.db2.gz NPRVIAIRUDJRLB-IVZWLZJFSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647804250 385840375 /nfs/dbraw/zinc/84/03/75/385840375.db2.gz MRMBPIUUUWZDPR-WTPMCQDGSA-N 1 3 228.336 0.506 20 0 BCADHO C[C@@H]1OCC[C@]1(C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000336718878 385845378 /nfs/dbraw/zinc/84/53/78/385845378.db2.gz RGWSAWSEUINWHX-DRZSPHRISA-N 1 3 242.363 0.599 20 0 BCADHO C[C@@H]1OCC[C@]1(C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000336718878 385845382 /nfs/dbraw/zinc/84/53/82/385845382.db2.gz RGWSAWSEUINWHX-DRZSPHRISA-N 1 3 242.363 0.599 20 0 BCADHO C[C@@H]1OCC[C@@]1(C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000336718882 385845442 /nfs/dbraw/zinc/84/54/42/385845442.db2.gz RGWSAWSEUINWHX-WCFLWFBJSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@@H]1OCC[C@@]1(C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000336718882 385845444 /nfs/dbraw/zinc/84/54/44/385845444.db2.gz RGWSAWSEUINWHX-WCFLWFBJSA-N 1 3 242.363 0.599 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000638114152 385849338 /nfs/dbraw/zinc/84/93/38/385849338.db2.gz HLDBLCCNLJHGQV-MXWKQRLJSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647845305 385885044 /nfs/dbraw/zinc/88/50/44/385885044.db2.gz USNMXVBPQDOXNY-YPMHNXCESA-N 1 3 249.358 0.945 20 0 BCADHO O=C([C@H]1CC12CC[NH2+]CC2)N1CCCNCC1 ZINC000070252467 385862004 /nfs/dbraw/zinc/86/20/04/385862004.db2.gz OZHPEDAABBQZSA-LLVKDONJSA-N 1 3 237.347 0.198 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000647811048 385862530 /nfs/dbraw/zinc/86/25/30/385862530.db2.gz QEHOGYRGWAAWNE-SFYZADRCSA-N 1 3 235.278 0.037 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)[C@@H]1C[NH3+] ZINC000647820964 385871244 /nfs/dbraw/zinc/87/12/44/385871244.db2.gz XAZYLVBLUCBTEF-HRDYMLBCSA-N 1 3 249.305 0.555 20 0 BCADHO CN(C[C@H](O)C[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000308820441 385872642 /nfs/dbraw/zinc/87/26/42/385872642.db2.gz BUCSCEMCEOFQOY-DTWKUNHWSA-N 1 3 222.279 0.673 20 0 BCADHO C[N@H+](CCCN1CCCCC1)CCC(N)=O ZINC000353173126 385875431 /nfs/dbraw/zinc/87/54/31/385875431.db2.gz OMAAVFHQSGIRSV-UHFFFAOYSA-N 1 3 227.352 0.670 20 0 BCADHO C[N@@H+](CCCN1CCCCC1)CCC(N)=O ZINC000353173126 385875433 /nfs/dbraw/zinc/87/54/33/385875433.db2.gz OMAAVFHQSGIRSV-UHFFFAOYSA-N 1 3 227.352 0.670 20 0 BCADHO Cn1ccc(CN2CC[C@@H](C[NH3+])C2)cc1=O ZINC000647829408 385878022 /nfs/dbraw/zinc/87/80/22/385878022.db2.gz AIPVMEAXFNJOOY-NSHDSACASA-N 1 3 221.304 0.166 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H](C[NH2+]C)C1 ZINC000647836861 385882267 /nfs/dbraw/zinc/88/22/67/385882267.db2.gz MXRILZMJOXSWSK-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000295185944 385986743 /nfs/dbraw/zinc/98/67/43/385986743.db2.gz IEVKSNIGUJNRNX-NWDGAFQWSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](N)c1ccccc1 ZINC000295192977 385988300 /nfs/dbraw/zinc/98/83/00/385988300.db2.gz ODEYBXVHDSLFTD-GWCFXTLKSA-N 1 3 247.342 0.943 20 0 BCADHO NC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222366 385992787 /nfs/dbraw/zinc/99/27/87/385992787.db2.gz RDMRYNLCFXQZGX-CHWSQXEVSA-N 1 3 247.342 0.582 20 0 BCADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@H](C)[NH3+] ZINC000335042632 385936754 /nfs/dbraw/zinc/93/67/54/385936754.db2.gz FFEYRCDGRWAQPB-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2(C[NH3+])CC2)[C@@H]1C ZINC000335044558 385939507 /nfs/dbraw/zinc/93/95/07/385939507.db2.gz KTUWLCBVKCCYEX-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000251311509 385964236 /nfs/dbraw/zinc/96/42/36/385964236.db2.gz KKPQCLFVBATCJJ-WCQYABFASA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@]1(C(=O)NC2CCN(C)CC2)CCC[NH2+]1 ZINC000128760831 386007968 /nfs/dbraw/zinc/00/79/68/386007968.db2.gz FAULNUUQOIHDON-CYBMUJFWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1CNCCN1C ZINC000414976083 386015945 /nfs/dbraw/zinc/01/59/45/386015945.db2.gz NJNYYCCDTHKHHK-AGIUHOORSA-N 1 3 240.395 0.010 20 0 BCADHO CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676067 386149859 /nfs/dbraw/zinc/14/98/59/386149859.db2.gz USCMLDZZFVVJBL-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414676067 386149861 /nfs/dbraw/zinc/14/98/61/386149861.db2.gz USCMLDZZFVVJBL-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677053 386151479 /nfs/dbraw/zinc/15/14/79/386151479.db2.gz VVKXOVFAGWCGGU-GHMZBOCLSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677053 386151486 /nfs/dbraw/zinc/15/14/86/386151486.db2.gz VVKXOVFAGWCGGU-GHMZBOCLSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677054 386152236 /nfs/dbraw/zinc/15/22/36/386152236.db2.gz VVKXOVFAGWCGGU-MNOVXSKESA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000414677054 386152241 /nfs/dbraw/zinc/15/22/41/386152241.db2.gz VVKXOVFAGWCGGU-MNOVXSKESA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677056 386152280 /nfs/dbraw/zinc/15/22/80/386152280.db2.gz VVKXOVFAGWCGGU-WDEREUQCSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677056 386152284 /nfs/dbraw/zinc/15/22/84/386152284.db2.gz VVKXOVFAGWCGGU-WDEREUQCSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@@H]1C[C@H](CN2CCCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000414681594 386163588 /nfs/dbraw/zinc/16/35/88/386163588.db2.gz PMYFCGIKIUYOHZ-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC000338896869 386169752 /nfs/dbraw/zinc/16/97/52/386169752.db2.gz PNYNSVFHVUFFGN-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393458176 386130778 /nfs/dbraw/zinc/13/07/78/386130778.db2.gz FRKAQTZRFUGHEK-DDHJBXDOSA-N 1 3 210.321 0.726 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393458176 386130779 /nfs/dbraw/zinc/13/07/79/386130779.db2.gz FRKAQTZRFUGHEK-DDHJBXDOSA-N 1 3 210.321 0.726 20 0 BCADHO CCN(CCNC(=O)N[C@@H](C)CC[NH3+])C1CC1 ZINC000417487097 386139432 /nfs/dbraw/zinc/13/94/32/386139432.db2.gz NKLVVSHYUOOFDU-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@H](CO)OC[C@H]2C)CC[NH2+]1 ZINC000414702519 386211187 /nfs/dbraw/zinc/21/11/87/386211187.db2.gz HWOIFBPMCMMHRT-FDYHWXHSSA-N 1 3 242.363 0.456 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](N)CC(C)C ZINC000414712678 386231120 /nfs/dbraw/zinc/23/11/20/386231120.db2.gz TUSGINIARYDDGE-WDEREUQCSA-N 1 3 229.368 0.674 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](N)CC(C)C ZINC000414712678 386231127 /nfs/dbraw/zinc/23/11/27/386231127.db2.gz TUSGINIARYDDGE-WDEREUQCSA-N 1 3 229.368 0.674 20 0 BCADHO CCCCN(CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414694716 386194637 /nfs/dbraw/zinc/19/46/37/386194637.db2.gz DQMGTCHPBOYWDU-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695891 386195709 /nfs/dbraw/zinc/19/57/09/386195709.db2.gz AAWLUDCHGWVTPG-RYUDHWBXSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695891 386195714 /nfs/dbraw/zinc/19/57/14/386195714.db2.gz AAWLUDCHGWVTPG-RYUDHWBXSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695890 386195823 /nfs/dbraw/zinc/19/58/23/386195823.db2.gz AAWLUDCHGWVTPG-NWDGAFQWSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000414695890 386195827 /nfs/dbraw/zinc/19/58/27/386195827.db2.gz AAWLUDCHGWVTPG-NWDGAFQWSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695893 386196812 /nfs/dbraw/zinc/19/68/12/386196812.db2.gz AAWLUDCHGWVTPG-VXGBXAGGSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000414695893 386196819 /nfs/dbraw/zinc/19/68/19/386196819.db2.gz AAWLUDCHGWVTPG-VXGBXAGGSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@@H]1C(=O)NCCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695137 386197988 /nfs/dbraw/zinc/19/79/88/386197988.db2.gz OEBDJPSKICXIGC-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCCN(CC)CC1 ZINC000331939148 386306167 /nfs/dbraw/zinc/30/61/67/386306167.db2.gz IFYBBNNQMNMZGZ-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000180897130 386306961 /nfs/dbraw/zinc/30/69/61/386306961.db2.gz CSBDGWHPHDGWQA-WCQYABFASA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331942057 386309578 /nfs/dbraw/zinc/30/95/78/386309578.db2.gz XRXGWSJEGLIOLS-NGZCFLSTSA-N 1 3 240.351 0.116 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)CN)C1 ZINC000236899528 386323212 /nfs/dbraw/zinc/32/32/12/386323212.db2.gz QRCAIDMWVGWHPU-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308442 386270932 /nfs/dbraw/zinc/27/09/32/386270932.db2.gz QPQMTSFRJVEXPT-WDEREUQCSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308442 386270938 /nfs/dbraw/zinc/27/09/38/386270938.db2.gz QPQMTSFRJVEXPT-WDEREUQCSA-N 1 3 239.363 0.395 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CC2(O)CCC2)C1 ZINC000336653902 386273001 /nfs/dbraw/zinc/27/30/01/386273001.db2.gz ZFFOLNLSCSBVLX-NSHDSACASA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H](O)C[N@H+](CCO)CC[C@H]1CCCN1C ZINC000336656821 386274075 /nfs/dbraw/zinc/27/40/75/386274075.db2.gz LRFJWBBAKVPQSA-VXGBXAGGSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@@H](O)C[N@@H+](CCO)CC[C@H]1CCCN1C ZINC000336656821 386274076 /nfs/dbraw/zinc/27/40/76/386274076.db2.gz LRFJWBBAKVPQSA-VXGBXAGGSA-N 1 3 230.352 0.146 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000336682194 386342427 /nfs/dbraw/zinc/34/24/27/386342427.db2.gz CZFGOAQJSAVZLC-ZDUSSCGKSA-N 1 3 241.379 0.202 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000336682194 386342428 /nfs/dbraw/zinc/34/24/28/386342428.db2.gz CZFGOAQJSAVZLC-ZDUSSCGKSA-N 1 3 241.379 0.202 20 0 BCADHO C[C@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C ZINC000265602996 386350189 /nfs/dbraw/zinc/35/01/89/386350189.db2.gz CRFHPONINXTVAH-VQCYPWCPSA-N 1 3 213.325 0.171 20 0 BCADHO CN(C)C/C=C/C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000265708516 386362047 /nfs/dbraw/zinc/36/20/47/386362047.db2.gz UJWYFCIZTABJLK-QRGHLMKCSA-N 1 3 225.336 0.267 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000265708516 386362052 /nfs/dbraw/zinc/36/20/52/386362052.db2.gz UJWYFCIZTABJLK-QRGHLMKCSA-N 1 3 225.336 0.267 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000237314495 386369593 /nfs/dbraw/zinc/36/95/93/386369593.db2.gz NOGCBHGGZVZUMA-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO C[N@H+](CCCOc1ccccc1)C[C@@H](O)CN ZINC000336732035 386370017 /nfs/dbraw/zinc/37/00/17/386370017.db2.gz ZEJHSAMTJMEBAZ-LBPRGKRZSA-N 1 3 238.331 0.707 20 0 BCADHO C[N@@H+](CCCOc1ccccc1)C[C@@H](O)CN ZINC000336732035 386370020 /nfs/dbraw/zinc/37/00/20/386370020.db2.gz ZEJHSAMTJMEBAZ-LBPRGKRZSA-N 1 3 238.331 0.707 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347371852 386371379 /nfs/dbraw/zinc/37/13/79/386371379.db2.gz QEHSCXBKGPHWLL-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417556166 386380237 /nfs/dbraw/zinc/38/02/37/386380237.db2.gz ZXYODESCDDWLOO-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CNC ZINC000226396679 386385150 /nfs/dbraw/zinc/38/51/50/386385150.db2.gz FBNZSNCVCFUJBT-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC ZINC000226396679 386385153 /nfs/dbraw/zinc/38/51/53/386385153.db2.gz FBNZSNCVCFUJBT-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@H](C)CN1C ZINC000647989047 386334208 /nfs/dbraw/zinc/33/42/08/386334208.db2.gz BOLBIWGLRPDUGO-IJLUTSLNSA-N 1 3 211.353 0.620 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H](C)CN1CCCCC1 ZINC000417043704 386438087 /nfs/dbraw/zinc/43/80/87/386438087.db2.gz XOFMNCPSAPRLNH-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCNC1=O ZINC000414767271 386438494 /nfs/dbraw/zinc/43/84/94/386438494.db2.gz SIAHNQMEDGSPOE-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000417043707 386438585 /nfs/dbraw/zinc/43/85/85/386438585.db2.gz XOFMNCPSAPRLNH-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000417043705 386439204 /nfs/dbraw/zinc/43/92/04/386439204.db2.gz XOFMNCPSAPRLNH-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO CCCCN(C)CCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417612691 386450106 /nfs/dbraw/zinc/45/01/06/386450106.db2.gz RNYIQQSAPIEWNL-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417583697 386412994 /nfs/dbraw/zinc/41/29/94/386412994.db2.gz LILPPBQMZNCHQV-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000417583696 386413315 /nfs/dbraw/zinc/41/33/15/386413315.db2.gz LILPPBQMZNCHQV-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO COC(=O)[C@@H]1CCN(CCC[NH3+])[C@@H]1C ZINC000414761988 386421412 /nfs/dbraw/zinc/42/14/12/386421412.db2.gz VEHRTEGNMJMTSK-RKDXNWHRSA-N 1 3 200.282 0.219 20 0 BCADHO N[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000237999736 386430324 /nfs/dbraw/zinc/43/03/24/386430324.db2.gz MBJJNFKXQHNFJS-STQMWFEESA-N 1 3 247.342 0.945 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CCNC[C@](C)(F)C1 ZINC000414766182 386433372 /nfs/dbraw/zinc/43/33/72/386433372.db2.gz DHLRTJIYFUWXCI-NEPJUHHUSA-N 1 3 231.359 0.993 20 0 BCADHO C[C@@H](NC(=O)NC[C@@H]1CCCN1C)[C@H](C)[NH3+] ZINC000417276946 386471456 /nfs/dbraw/zinc/47/14/56/386471456.db2.gz FOCFDDOHPOSSAH-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO CC[C@@H]1CN(CCC(=O)N(C)CC)CC[C@@H]1[NH3+] ZINC000647934787 386480421 /nfs/dbraw/zinc/48/04/21/386480421.db2.gz QGNFYFJERRLDCQ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335430618 386485591 /nfs/dbraw/zinc/48/55/91/386485591.db2.gz SKFAHXYKUKJJMS-BXKDBHETSA-N 1 3 233.315 0.418 20 0 BCADHO CCN(CC)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183326576 386486295 /nfs/dbraw/zinc/48/62/95/386486295.db2.gz NERIXNADWMHLMR-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519598992 386496714 /nfs/dbraw/zinc/49/67/14/386496714.db2.gz KGIDQINRIRXLRZ-PWSUYJOCSA-N 1 3 227.352 0.620 20 0 BCADHO CN(C(=O)[C@H]1CC[NH2+]C1)C1CCN(C)CC1 ZINC000062112336 386503334 /nfs/dbraw/zinc/50/33/34/386503334.db2.gz OPYRRNVHWUSOEF-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO Cc1cn[nH]c1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000335448312 386517403 /nfs/dbraw/zinc/51/74/03/386517403.db2.gz MNTKLOFFIMRYKX-ZJUUUORDSA-N 1 3 208.309 0.887 20 0 BCADHO CC[C@@H]1C[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415033982 386521958 /nfs/dbraw/zinc/52/19/58/386521958.db2.gz JHSNZXJHHCWQGD-KVSVUVNWSA-N 1 3 224.348 0.999 20 0 BCADHO CC(C)[C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415038712 386524233 /nfs/dbraw/zinc/52/42/33/386524233.db2.gz OFCLRDMMQRWKAU-BNDIWNMDSA-N 1 3 224.348 0.997 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C1CCC1)[NH+](C)C ZINC000399223146 386459971 /nfs/dbraw/zinc/45/99/71/386459971.db2.gz LKUFORIRDMWYOF-SCZZXKLOSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403717 386464757 /nfs/dbraw/zinc/46/47/57/386464757.db2.gz HOZUDCICINUDKJ-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403717 386464764 /nfs/dbraw/zinc/46/47/64/386464764.db2.gz HOZUDCICINUDKJ-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO Cc1ccc(CNCCCN2CC[NH2+]CC2)nc1 ZINC000414774409 386465777 /nfs/dbraw/zinc/46/57/77/386465777.db2.gz BCXPRWILLMJQLV-UHFFFAOYSA-N 1 3 248.374 0.775 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccn(C)c(=O)c1 ZINC000647905612 386594818 /nfs/dbraw/zinc/59/48/18/386594818.db2.gz KXRDWVQGMRVVKM-CMPLNLGQSA-N 1 3 235.331 0.554 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccn(C)c(=O)c1 ZINC000647905614 386596075 /nfs/dbraw/zinc/59/60/75/386596075.db2.gz KXRDWVQGMRVVKM-PWSUYJOCSA-N 1 3 235.331 0.554 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000335455194 386531740 /nfs/dbraw/zinc/53/17/40/386531740.db2.gz NRMVLIFYEIJVEG-AOOOYVTPSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417675167 386531864 /nfs/dbraw/zinc/53/18/64/386531864.db2.gz BHOMDPFKEPBHIS-UWVGGRQHSA-N 1 3 240.351 0.260 20 0 BCADHO CO[C@@H]1[C@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000415047460 386534755 /nfs/dbraw/zinc/53/47/55/386534755.db2.gz YUVJNNAJOYJZOZ-BSKUUZOQSA-N 1 3 236.359 0.997 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972769 386534869 /nfs/dbraw/zinc/53/48/69/386534869.db2.gz UVVBUFAJFQQSTB-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CCN1CCCC[C@H]1CN[C@H]1CC[NH2+]C1 ZINC000415081781 386599086 /nfs/dbraw/zinc/59/90/86/386599086.db2.gz NLBICQBYPBNGLB-RYUDHWBXSA-N 1 3 211.353 0.812 20 0 BCADHO CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519703055 386537004 /nfs/dbraw/zinc/53/70/04/386537004.db2.gz DUWAQSCVJSRLLC-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519703055 386537009 /nfs/dbraw/zinc/53/70/09/386537009.db2.gz DUWAQSCVJSRLLC-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CNC2 ZINC000335460899 386544037 /nfs/dbraw/zinc/54/40/37/386544037.db2.gz HCWLXDVFWAQAAK-ZANVPECISA-N 1 3 245.326 0.852 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCN2CCC1CC2 ZINC000335463097 386548678 /nfs/dbraw/zinc/54/86/78/386548678.db2.gz KQSZNOLNXSIDDU-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN2CCC1CC2 ZINC000519771676 386555534 /nfs/dbraw/zinc/55/55/34/386555534.db2.gz NFTVKLNEHQGKAE-UHFFFAOYSA-N 1 3 225.336 0.293 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)N(C)C ZINC000332057376 386557134 /nfs/dbraw/zinc/55/71/34/386557134.db2.gz XPEUOESKNYQTDE-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO CC[NH2+]CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417691008 386557929 /nfs/dbraw/zinc/55/79/29/386557929.db2.gz WHGASBCUZGGCSF-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H]([NH3+])CN1CCc2ccccc2[C@@H]1CN ZINC000335405055 386560678 /nfs/dbraw/zinc/56/06/78/386560678.db2.gz CATRXFYHMXUVQE-MFKMUULPSA-N 1 3 219.332 0.892 20 0 BCADHO COCCCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000062031625 386561420 /nfs/dbraw/zinc/56/14/20/386561420.db2.gz YKAGIJXGJBGJEV-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO COCCC[N@H+](C)C[C@@H]1CCCNC1 ZINC000062031625 386561423 /nfs/dbraw/zinc/56/14/23/386561423.db2.gz YKAGIJXGJBGJEV-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO COCCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC000062031625 386561429 /nfs/dbraw/zinc/56/14/29/386561429.db2.gz YKAGIJXGJBGJEV-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000335406998 386566759 /nfs/dbraw/zinc/56/67/59/386566759.db2.gz OAXLJSVSKXIAOC-NXEZZACHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@]1(C(=O)NC2CCC([NH3+])CC2)CCCCN1 ZINC000136125786 386568561 /nfs/dbraw/zinc/56/85/61/386568561.db2.gz GZIQRNMRAXCQBD-XIVSLSHWSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H](O)CN(C)[C@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183126 386655407 /nfs/dbraw/zinc/65/54/07/386655407.db2.gz NLKRIBFZIWECIU-AGIUHOORSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@@H](O)CN(C)[C@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183126 386655414 /nfs/dbraw/zinc/65/54/14/386655414.db2.gz NLKRIBFZIWECIU-AGIUHOORSA-N 1 3 244.379 0.534 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000335513089 386650000 /nfs/dbraw/zinc/65/00/00/386650000.db2.gz VQMSLDCRNPMFAL-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@H](C)CN(C)C[C@H](O)C[NH3+] ZINC000336644902 386599179 /nfs/dbraw/zinc/59/91/79/386599179.db2.gz AUXOINLHSQEBFO-WDEREUQCSA-N 1 3 202.342 0.920 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000520228405 386608298 /nfs/dbraw/zinc/60/82/98/386608298.db2.gz JTOPDQWOQYBGMN-BIIVOSGPSA-N 1 3 235.278 0.083 20 0 BCADHO CC(C)(C)[C@@H](O)CNC[C@@]1(C)CC[NH2+]C1 ZINC000415090463 386611201 /nfs/dbraw/zinc/61/12/01/386611201.db2.gz OXOKRGSOSFFATE-JQWIXIFHSA-N 1 3 214.353 0.983 20 0 BCADHO COC[C@@H]1C[C@H](OC)CN1C[C@H]1CCC[NH2+]C1 ZINC000415109312 386616506 /nfs/dbraw/zinc/61/65/06/386616506.db2.gz RASCREYYSJMBQV-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO CCOC(=O)C1CCC(NCC[NH2+]C)CC1 ZINC000414820987 386673468 /nfs/dbraw/zinc/67/34/68/386673468.db2.gz DLWFZGAKPDTEHI-UHFFFAOYSA-N 1 3 228.336 0.917 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335529079 386675152 /nfs/dbraw/zinc/67/51/52/386675152.db2.gz DQLYHMAJLDIDQB-ZYHUDNBSSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000520579457 386701830 /nfs/dbraw/zinc/70/18/30/386701830.db2.gz WHWAZAOJVBOIDO-RYUDHWBXSA-N 1 3 227.352 0.701 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](C)Cn1cccn1 ZINC000414829916 386705391 /nfs/dbraw/zinc/70/53/91/386705391.db2.gz BPSLNFSUEPASFM-WDEREUQCSA-N 1 3 210.325 0.717 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@H](C)Cn1cccn1 ZINC000414829906 386706894 /nfs/dbraw/zinc/70/68/94/386706894.db2.gz BPSLNFSUEPASFM-GHMZBOCLSA-N 1 3 210.325 0.717 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417785967 386721146 /nfs/dbraw/zinc/72/11/46/386721146.db2.gz QIJWFWWQWJCWME-KXUCPTDWSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000357237130 386744462 /nfs/dbraw/zinc/74/44/62/386744462.db2.gz GHOKVZJMNQAXNP-GWCFXTLKSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000165931934 386750528 /nfs/dbraw/zinc/75/05/28/386750528.db2.gz MSTAKUXVEXNZMN-NSHDSACASA-N 1 3 235.331 0.582 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417836586 386796959 /nfs/dbraw/zinc/79/69/59/386796959.db2.gz XDGMJNPPALORPK-MNOVXSKESA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417812604 386781212 /nfs/dbraw/zinc/78/12/12/386781212.db2.gz PVRZPUMMMGLRCP-DVVUODLYSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000417827143 386784884 /nfs/dbraw/zinc/78/48/84/386784884.db2.gz CVAPQGDUEUNYCU-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417808966 386786709 /nfs/dbraw/zinc/78/67/09/386786709.db2.gz GGKONGWKOAZLDG-OUAUKWLOSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1NCCCC1(C)C ZINC000417805980 386786788 /nfs/dbraw/zinc/78/67/88/386786788.db2.gz IBSLZUCCPOJHFN-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417807893 386787517 /nfs/dbraw/zinc/78/75/17/386787517.db2.gz ITBUWXZUESZHGX-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000417809261 386787665 /nfs/dbraw/zinc/78/76/65/386787665.db2.gz GTARWYZUOKQDHY-GHMZBOCLSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417808963 386788076 /nfs/dbraw/zinc/78/80/76/386788076.db2.gz GGKONGWKOAZLDG-GMTAPVOTSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000417845189 386799631 /nfs/dbraw/zinc/79/96/31/386799631.db2.gz XKGPZHAPRPMNGG-KXNHARMFSA-N 1 3 239.363 0.618 20 0 BCADHO CCCC[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000417840716 386800349 /nfs/dbraw/zinc/80/03/49/386800349.db2.gz SCGZSXFBTAFXHK-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417857621 386804896 /nfs/dbraw/zinc/80/48/96/386804896.db2.gz UEJLKGVUHLLZJJ-KATARQTJSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@H](C)CCN1 ZINC000417847422 386805214 /nfs/dbraw/zinc/80/52/14/386805214.db2.gz UQOWEOKDLFITBD-VPOLOUISSA-N 1 3 225.336 0.323 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000192988542 386806794 /nfs/dbraw/zinc/80/67/94/386806794.db2.gz JBYBXOCSRLLDNZ-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000192988542 386806796 /nfs/dbraw/zinc/80/67/96/386806796.db2.gz JBYBXOCSRLLDNZ-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO FC1(F)CCNC[C@@H]1NC[C@H]1CCC[NH2+]C1 ZINC000334844029 386891116 /nfs/dbraw/zinc/89/11/16/386891116.db2.gz BURSQSGVYIIHMJ-UWVGGRQHSA-N 1 3 233.306 0.573 20 0 BCADHO C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH3+])CCCN1C ZINC000418010792 386891155 /nfs/dbraw/zinc/89/11/55/386891155.db2.gz WEACIKKTWJJNHL-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH3+])CCCN1C ZINC000418010795 386891586 /nfs/dbraw/zinc/89/15/86/386891586.db2.gz WEACIKKTWJJNHL-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO C[NH+](C)C1(CNC(=O)C2(N)CC2)CCCC1 ZINC000125647253 386861605 /nfs/dbraw/zinc/86/16/05/386861605.db2.gz JNHLFXZZABAJFE-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418006199 386862683 /nfs/dbraw/zinc/86/26/83/386862683.db2.gz PXYYWBVIHAAXGS-AXFHLTTASA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H](NC(=O)N[C@@H]1CCN(C2CC2)C1)[C@H](C)[NH3+] ZINC000331746176 386889905 /nfs/dbraw/zinc/88/99/05/386889905.db2.gz DBYOWNLCCYCFLU-IVZWLZJFSA-N 1 3 240.351 0.258 20 0 BCADHO C[C@]1(CNC(=O)[C@@H](N)C2CCC2)CCC[NH2+]C1 ZINC000331827174 386915516 /nfs/dbraw/zinc/91/55/16/386915516.db2.gz CURSKYZOOZMXSS-AAEUAGOBSA-N 1 3 239.363 0.620 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335763515 386904302 /nfs/dbraw/zinc/90/43/02/386904302.db2.gz MIOHQRCUTRLDRZ-DGCLKSJQSA-N 1 3 239.363 0.716 20 0 BCADHO COC[C@H](CC(C)C)NC[C@@H](O)C[NH+](C)C ZINC000336763093 386946763 /nfs/dbraw/zinc/94/67/63/386946763.db2.gz LXQFGKPVMLGAJZ-NWDGAFQWSA-N 1 3 232.368 0.560 20 0 BCADHO COC[C@@H](CC(C)C)NC[C@@H](O)C[NH+](C)C ZINC000336763095 386947307 /nfs/dbraw/zinc/94/73/07/386947307.db2.gz LXQFGKPVMLGAJZ-VXGBXAGGSA-N 1 3 232.368 0.560 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](C)CN1 ZINC000331893680 386922689 /nfs/dbraw/zinc/92/26/89/386922689.db2.gz RJVZYWVANFOEJY-YWVKMMECSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368183320 386948115 /nfs/dbraw/zinc/94/81/15/386948115.db2.gz HEVHZMLYXDWWMA-WDEREUQCSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000332163858 386964087 /nfs/dbraw/zinc/96/40/87/386964087.db2.gz RPBOLKMHRFIDTL-GARJFASQSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368385796 386967862 /nfs/dbraw/zinc/96/78/62/386967862.db2.gz QVOOPQXUWYVZQE-GARJFASQSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000341906118 386986546 /nfs/dbraw/zinc/98/65/46/386986546.db2.gz WTKKQLKHCXIXRH-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)CC(N)=O)C1 ZINC000341906118 386986551 /nfs/dbraw/zinc/98/65/51/386986551.db2.gz WTKKQLKHCXIXRH-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)CC(N)=O)C1 ZINC000341906118 386986555 /nfs/dbraw/zinc/98/65/55/386986555.db2.gz WTKKQLKHCXIXRH-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906924 386987359 /nfs/dbraw/zinc/98/73/59/386987359.db2.gz YNZAJBZKKVJUKA-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000341906924 386987364 /nfs/dbraw/zinc/98/73/64/386987364.db2.gz YNZAJBZKKVJUKA-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000104418482 387004741 /nfs/dbraw/zinc/00/47/41/387004741.db2.gz YWJVTTDCPQVGQL-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO [NH3+][C@@H](CNC(=O)[C@H]1CNCCC1(F)F)C1CC1 ZINC000648106316 387030579 /nfs/dbraw/zinc/03/05/79/387030579.db2.gz YTVZHOYIPHHECE-BDAKNGLRSA-N 1 3 247.289 0.085 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](N)C1CCC1)C1CC1 ZINC000399007716 387036927 /nfs/dbraw/zinc/03/69/27/387036927.db2.gz AJERVSFEQOCCCI-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](N)C1CCC1)C1CC1 ZINC000399007716 387036931 /nfs/dbraw/zinc/03/69/31/387036931.db2.gz AJERVSFEQOCCCI-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](C(=O)NC1CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000070074251 387043199 /nfs/dbraw/zinc/04/31/99/387043199.db2.gz QLLQRKGMXHVZMR-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(C)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074181 387044155 /nfs/dbraw/zinc/04/41/55/387044155.db2.gz LFYSRASCGPPNEX-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C1(N)Cc2ccccc2C1 ZINC000648107410 387047993 /nfs/dbraw/zinc/04/79/93/387047993.db2.gz NCVYVHLORPMTMS-JTQLQIEISA-N 1 3 247.342 0.336 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000237407566 387050019 /nfs/dbraw/zinc/05/00/19/387050019.db2.gz RPGYPQZQDMYSTG-QWRGUYRKSA-N 1 3 239.363 0.844 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334967674 387051074 /nfs/dbraw/zinc/05/10/74/387051074.db2.gz PWSYFAVALNMRLC-NSHDSACASA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333707000 387051937 /nfs/dbraw/zinc/05/19/37/387051937.db2.gz RQIHRPROKAAMJF-HBNTYKKESA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969841 387054475 /nfs/dbraw/zinc/05/44/75/387054475.db2.gz FKTCGMPSINQCML-VHSXEESVSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1C(=O)NCCCN1CCC1CC[NH2+]CC1 ZINC000334970115 387054810 /nfs/dbraw/zinc/05/48/10/387054810.db2.gz PSPTXHCBSFIODU-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969840 387055125 /nfs/dbraw/zinc/05/51/25/387055125.db2.gz FKTCGMPSINQCML-UWVGGRQHSA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000228005583 387060012 /nfs/dbraw/zinc/06/00/12/387060012.db2.gz TYBYVUQANOMUIO-PWSUYJOCSA-N 1 3 241.379 0.816 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000368806465 387012835 /nfs/dbraw/zinc/01/28/35/387012835.db2.gz NZPVEXIRFFKWPM-CMPLNLGQSA-N 1 3 225.336 0.054 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CCCN1C ZINC000333896281 387073330 /nfs/dbraw/zinc/07/33/30/387073330.db2.gz ASKIWIWAMNDSIQ-AXFHLTTASA-N 1 3 240.351 0.212 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256268 387074436 /nfs/dbraw/zinc/07/44/36/387074436.db2.gz LUJMTXYBKKDLPS-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)(O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334995005 387085805 /nfs/dbraw/zinc/08/58/05/387085805.db2.gz XSQBWYBNBQEVLO-GFCCVEGCSA-N 1 3 212.337 0.833 20 0 BCADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N(C)C ZINC000186764283 387131348 /nfs/dbraw/zinc/13/13/48/387131348.db2.gz HXJJMZZILBCUDG-LBPRGKRZSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])N(CC)CC ZINC000359429345 387099578 /nfs/dbraw/zinc/09/95/78/387099578.db2.gz RFLSGBYQNVTPTO-QWRGUYRKSA-N 1 3 229.368 0.912 20 0 BCADHO CN1CCC(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359426954 387100496 /nfs/dbraw/zinc/10/04/96/387100496.db2.gz FLFZJIXDWIBXMR-VXGBXAGGSA-N 1 3 237.347 0.006 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186731680 387130158 /nfs/dbraw/zinc/13/01/58/387130158.db2.gz MHHBYSQIAGYGPH-UHFFFAOYSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186731680 387130159 /nfs/dbraw/zinc/13/01/59/387130159.db2.gz MHHBYSQIAGYGPH-UHFFFAOYSA-N 1 3 241.379 0.879 20 0 BCADHO CCC[NH2+]CCN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000423305962 387141698 /nfs/dbraw/zinc/14/16/98/387141698.db2.gz CWCHAOLEWFSFDN-CHWSQXEVSA-N 1 3 241.379 0.343 20 0 BCADHO COc1ccc(C[C@H](C)N[C@H](C)C[NH3+])cn1 ZINC000423315615 387157007 /nfs/dbraw/zinc/15/70/07/387157007.db2.gz AAZHUWKHSZOZFA-VHSXEESVSA-N 1 3 223.320 0.958 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](N)C1CC1 ZINC000423327437 387171146 /nfs/dbraw/zinc/17/11/46/387171146.db2.gz RODRJMHAULVXKR-JIMOISOXSA-N 1 3 223.364 0.796 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230832 387176318 /nfs/dbraw/zinc/17/63/18/387176318.db2.gz NKAVIPBFBBBJAX-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO NC1(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000336346110 387176435 /nfs/dbraw/zinc/17/64/35/387176435.db2.gz ZWYMXJKIFNUJFV-NWDGAFQWSA-N 1 3 245.326 0.431 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261768 387184801 /nfs/dbraw/zinc/18/48/01/387184801.db2.gz CRMCSGUUJVWIQA-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371261768 387184803 /nfs/dbraw/zinc/18/48/03/387184803.db2.gz CRMCSGUUJVWIQA-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423337259 387186011 /nfs/dbraw/zinc/18/60/11/387186011.db2.gz UBNQBNVVMDTZEC-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](N)C2CC2)CN1C1CC1 ZINC000423337685 387186590 /nfs/dbraw/zinc/18/65/90/387186590.db2.gz YRGZBMZFXPNLJH-IRUJWGPZSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972908 387188982 /nfs/dbraw/zinc/18/89/82/387188982.db2.gz WTKALDNDVBOZDB-VHSXEESVSA-N 1 3 211.309 0.030 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973202 387190291 /nfs/dbraw/zinc/19/02/91/387190291.db2.gz HIUVRCMQLZLMNT-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000062967603 387190430 /nfs/dbraw/zinc/19/04/30/387190430.db2.gz ZGAVTPNDNWNHBA-MNOVXSKESA-N 1 3 227.352 0.380 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)NCC[C@H]1CCC[NH2+]1 ZINC000423356498 387206822 /nfs/dbraw/zinc/20/68/22/387206822.db2.gz JZYUGLTXBUFMIG-JHJVBQTASA-N 1 3 241.379 0.485 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000571939505 387206857 /nfs/dbraw/zinc/20/68/57/387206857.db2.gz PBUOOVAAYZGXQW-JGVFFNPUSA-N 1 3 201.314 0.084 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CNCC[C@@H]1C ZINC000423357129 387208763 /nfs/dbraw/zinc/20/87/63/387208763.db2.gz HUJDKORRHKQFJS-LOWDOPEQSA-N 1 3 241.379 0.341 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423357129 387208766 /nfs/dbraw/zinc/20/87/66/387208766.db2.gz HUJDKORRHKQFJS-LOWDOPEQSA-N 1 3 241.379 0.341 20 0 BCADHO CN(C)CCN(C(=O)C1CC[NH2+]CC1)C1CC1 ZINC000571998664 387217101 /nfs/dbraw/zinc/21/71/01/387217101.db2.gz RTIRKSYFFQZVJN-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)[C@H](CN)OC ZINC000353506842 387217958 /nfs/dbraw/zinc/21/79/58/387217958.db2.gz DWVMBVZVAUWNQD-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH3+])CCC1 ZINC000418213745 387223659 /nfs/dbraw/zinc/22/36/59/387223659.db2.gz WCVHIYZNDQFCKN-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CCn1cc(CNCCOCC[NH+](C)C)cn1 ZINC000230005073 387225745 /nfs/dbraw/zinc/22/57/45/387225745.db2.gz HNZXGYASLJGYKK-UHFFFAOYSA-N 1 3 240.351 0.571 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000423406271 387242536 /nfs/dbraw/zinc/24/25/36/387242536.db2.gz UOEQPXOWUKXKGO-UKKRHICBSA-N 1 3 200.326 0.997 20 0 BCADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406271 387242537 /nfs/dbraw/zinc/24/25/37/387242537.db2.gz UOEQPXOWUKXKGO-UKKRHICBSA-N 1 3 200.326 0.997 20 0 BCADHO CCN(C)CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572147850 387243933 /nfs/dbraw/zinc/24/39/33/387243933.db2.gz RNOAMHLDVAQGKX-NWDGAFQWSA-N 1 3 213.369 0.916 20 0 BCADHO CCN(C)CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572147849 387244166 /nfs/dbraw/zinc/24/41/66/387244166.db2.gz RNOAMHLDVAQGKX-NEPJUHHUSA-N 1 3 213.369 0.916 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410901 387245796 /nfs/dbraw/zinc/24/57/96/387245796.db2.gz ARAAPPVANLOZFR-NMKXLXIOSA-N 1 3 249.358 0.434 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423768 387249928 /nfs/dbraw/zinc/24/99/28/387249928.db2.gz FDPRGHHYEZFOEX-ZMHPAJMFSA-N 1 3 221.348 0.277 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC([NH2+]C)CC1 ZINC000572155582 387250135 /nfs/dbraw/zinc/25/01/35/387250135.db2.gz MJCIKRQJSQDCFZ-LBPRGKRZSA-N 1 3 227.352 0.714 20 0 BCADHO O=C([C@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000162039928 387250478 /nfs/dbraw/zinc/25/04/78/387250478.db2.gz AYEYRUHJTMUZHD-RYUDHWBXSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000572155574 387250580 /nfs/dbraw/zinc/25/05/80/387250580.db2.gz MBKSFLCRQTUXHM-UWVGGRQHSA-N 1 3 239.363 0.713 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000418179838 387194211 /nfs/dbraw/zinc/19/42/11/387194211.db2.gz AWNLCQNSCMVVAU-WDEREUQCSA-N 1 3 244.383 0.753 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H]2CCCN[C@H]2C)C1 ZINC000423374255 387198400 /nfs/dbraw/zinc/19/84/00/387198400.db2.gz JQXUMFAMCDVNGZ-AVGNSLFASA-N 1 3 241.379 0.437 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121499 387309981 /nfs/dbraw/zinc/30/99/81/387309981.db2.gz QRJJCFZQUKROLS-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188185034 387256391 /nfs/dbraw/zinc/25/63/91/387256391.db2.gz CJPFZKZRUSRACL-DVVUODLYSA-N 1 3 243.326 0.272 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(C)C2)CC[NH2+]1 ZINC000645684596 387267541 /nfs/dbraw/zinc/26/75/41/387267541.db2.gz APNKWUYXRZBRED-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000423392252 387278501 /nfs/dbraw/zinc/27/85/01/387278501.db2.gz LOJSYPFZOGCMGG-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)N(C)CC(=O)NCCCC[NH+](C)C ZINC000353812822 387279609 /nfs/dbraw/zinc/27/96/09/387279609.db2.gz IJECBSZLDWBAEE-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432597 387284289 /nfs/dbraw/zinc/28/42/89/387284289.db2.gz OPQVHAYGUCXCCW-KLTVKPSUSA-N 1 3 249.358 0.337 20 0 BCADHO CC[C@H](N)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423441199 387291358 /nfs/dbraw/zinc/29/13/58/387291358.db2.gz AZVSATVIWNAVTD-GARJFASQSA-N 1 3 211.353 0.939 20 0 BCADHO CC[C@H]([NH3+])CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423441199 387291362 /nfs/dbraw/zinc/29/13/62/387291362.db2.gz AZVSATVIWNAVTD-GARJFASQSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000514865437 387300796 /nfs/dbraw/zinc/30/07/96/387300796.db2.gz UWKANUWXIDWLQF-WOPDTQHZSA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000423533450 387361640 /nfs/dbraw/zinc/36/16/40/387361640.db2.gz TWVCKFWBQAYVFM-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](C(=O)N[C@H](C)C[NH3+])N(C)C ZINC000423539653 387366624 /nfs/dbraw/zinc/36/66/24/387366624.db2.gz PACNRPGATIYWPF-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423544420 387367499 /nfs/dbraw/zinc/36/74/99/387367499.db2.gz CZZUSDIUWYTGML-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000515384445 387372920 /nfs/dbraw/zinc/37/29/20/387372920.db2.gz RDEUHLZIBKJSDE-IONNQARKSA-N 1 3 234.303 0.183 20 0 BCADHO C[C@@H](NC[C@@H]1CNCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571221 387379613 /nfs/dbraw/zinc/37/96/13/387379613.db2.gz NGSPENQVFLFISB-WOPDTQHZSA-N 1 3 227.352 0.095 20 0 BCADHO COCCN1CC[C@H](NCCC[NH2+]C2CC2)C1 ZINC000423570875 387379880 /nfs/dbraw/zinc/37/98/80/387379880.db2.gz XGTATZQUBHACBO-ZDUSSCGKSA-N 1 3 241.379 0.439 20 0 BCADHO [NH3+][C@H](CNC(=O)C12CCCN1CCC2)C1CC1 ZINC000423474172 387321719 /nfs/dbraw/zinc/32/17/19/387321719.db2.gz HXNXNIVJDOTXIE-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000390509212 387332565 /nfs/dbraw/zinc/33/25/65/387332565.db2.gz YSSRKLMYRRIFJL-RKDXNWHRSA-N 1 3 233.381 0.166 20 0 BCADHO C[C@@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490848 387336173 /nfs/dbraw/zinc/33/61/73/387336173.db2.gz IQTVEXQFSUPROK-KKOKHZNYSA-N 1 3 212.337 0.999 20 0 BCADHO CCC[C@H](C(=O)NCC[NH2+]CCOC)N(C)C ZINC000423500319 387341094 /nfs/dbraw/zinc/34/10/94/387341094.db2.gz DAOQLUWGVPHWDH-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572378713 387353181 /nfs/dbraw/zinc/35/31/81/387353181.db2.gz PERKYIYQUCQUNR-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)(C)CC[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572378713 387353184 /nfs/dbraw/zinc/35/31/84/387353184.db2.gz PERKYIYQUCQUNR-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423839234 387433774 /nfs/dbraw/zinc/43/37/74/387433774.db2.gz CWDXGVLMPXCZSD-MFKMUULPSA-N 1 3 237.347 0.291 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CCC[NH3+] ZINC000423855442 387436455 /nfs/dbraw/zinc/43/64/55/387436455.db2.gz XDSNSWXHKVMQOD-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000423893726 387446588 /nfs/dbraw/zinc/44/65/88/387446588.db2.gz ATDBXJKZAYBNOQ-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423945349 387455534 /nfs/dbraw/zinc/45/55/34/387455534.db2.gz AUTPTHBJPDMCCY-JTQLQIEISA-N 1 3 229.368 0.816 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423940769 387455716 /nfs/dbraw/zinc/45/57/16/387455716.db2.gz BCXJWRPULYRHFB-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)N(CC)CC ZINC000423939300 387456012 /nfs/dbraw/zinc/45/60/12/387456012.db2.gz AGWXQTLENBGDOZ-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)C ZINC000423611884 387387072 /nfs/dbraw/zinc/38/70/72/387387072.db2.gz ORZFXTZULBWUQB-AAEUAGOBSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656638 387392070 /nfs/dbraw/zinc/39/20/70/387392070.db2.gz XICAELQFNMYBCA-IJLUTSLNSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)N(C)C ZINC000423656167 387392678 /nfs/dbraw/zinc/39/26/78/387392678.db2.gz WLLPFVALYMUTSL-AXFHLTTASA-N 1 3 227.352 0.521 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000423740685 387404333 /nfs/dbraw/zinc/40/43/33/387404333.db2.gz JESZPWSFXPSACW-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000423743250 387406359 /nfs/dbraw/zinc/40/63/59/387406359.db2.gz JVHAGEDQJOMIBW-MCIGGMRASA-N 1 3 241.379 0.960 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000423744143 387407601 /nfs/dbraw/zinc/40/76/01/387407601.db2.gz NGGRKMYVJIYYSC-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)N ZINC000423769992 387420133 /nfs/dbraw/zinc/42/01/33/387420133.db2.gz GSPXXSMGUOXOFC-GARJFASQSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)N ZINC000423769992 387420136 /nfs/dbraw/zinc/42/01/36/387420136.db2.gz GSPXXSMGUOXOFC-GARJFASQSA-N 1 3 225.336 0.419 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCN2CCC(O)CC2)C1 ZINC000321776526 387506157 /nfs/dbraw/zinc/50/61/57/387506157.db2.gz HBKSSVFNZUKXNL-RYUDHWBXSA-N 1 3 241.379 0.303 20 0 BCADHO CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375257531 387519144 /nfs/dbraw/zinc/51/91/44/387519144.db2.gz YUQQSHLVEVOXSE-ZSBIGDGJSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC[NH3+] ZINC000424013440 387466537 /nfs/dbraw/zinc/46/65/37/387466537.db2.gz WKJLVVLUUJACFJ-AOOOYVTPSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424007344 387466779 /nfs/dbraw/zinc/46/67/79/387466779.db2.gz VGRGZBPXHCQTEH-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)N(C)CC(=O)NC(C)(C)CC[NH3+] ZINC000424048046 387470579 /nfs/dbraw/zinc/47/05/79/387470579.db2.gz PVQQEHONRJBHQH-UHFFFAOYSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@@H](O)C[N@H+](C)CC[C@H]1CCCN1C ZINC000361505571 387474808 /nfs/dbraw/zinc/47/48/08/387474808.db2.gz PZAQLGYUYKBQDI-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](O)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000361505571 387474811 /nfs/dbraw/zinc/47/48/11/387474811.db2.gz PZAQLGYUYKBQDI-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](N)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375937920 387594800 /nfs/dbraw/zinc/59/48/00/387594800.db2.gz MBDWBCBSGADYBA-MRVPVSSYSA-N 1 3 219.288 0.618 20 0 BCADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736009 387595079 /nfs/dbraw/zinc/59/50/79/387595079.db2.gz RSALLRSFYKULGN-LOWVWBTDSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000422542974 387597228 /nfs/dbraw/zinc/59/72/28/387597228.db2.gz RGDMFEOBBGLQEU-SUZMYJTESA-N 1 3 239.363 0.557 20 0 BCADHO C(N[C@H]1CCC[NH2+]CC1)C12CC(C1)CO2 ZINC000527531597 387600773 /nfs/dbraw/zinc/60/07/73/387600773.db2.gz HYLUSCYKLOSVAQ-CXQJBGSLSA-N 1 3 210.321 0.897 20 0 BCADHO C([NH2+][C@H]1CCCNCC1)C12CC(C1)CO2 ZINC000527531597 387600777 /nfs/dbraw/zinc/60/07/77/387600777.db2.gz HYLUSCYKLOSVAQ-CXQJBGSLSA-N 1 3 210.321 0.897 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422603797 387605808 /nfs/dbraw/zinc/60/58/08/387605808.db2.gz ADFSFYYMYVYADX-MNOVXSKESA-N 1 3 242.367 0.317 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)NCC(C)(C)[NH3+] ZINC000422606654 387606194 /nfs/dbraw/zinc/60/61/94/387606194.db2.gz JHKGTTTWUXQXHK-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H](C(=O)NCC[NH+](CC)CC)N(C)C ZINC000124409331 387615402 /nfs/dbraw/zinc/61/54/02/387615402.db2.gz LPWMBXBRUQHHEF-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CCC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N(C)C ZINC000422712449 387625776 /nfs/dbraw/zinc/62/57/76/387625776.db2.gz OFNYVZCMVGCUSA-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCSCC1 ZINC000422712494 387626265 /nfs/dbraw/zinc/62/62/65/387626265.db2.gz OILJVMSZYZYFTK-GHMZBOCLSA-N 1 3 231.409 0.751 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000036984206 387558035 /nfs/dbraw/zinc/55/80/35/387558035.db2.gz USCCXYUJHURWNW-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000367392124 387573545 /nfs/dbraw/zinc/57/35/45/387573545.db2.gz MGDZMRBYXQKHNM-WDSKDSINSA-N 1 3 240.332 0.245 20 0 BCADHO C[C@H]1CCNC[C@H]1[NH2+]CCN1CCSCC1 ZINC000422718037 387631909 /nfs/dbraw/zinc/63/19/09/387631909.db2.gz WQWFFDUFYXWYLE-NWDGAFQWSA-N 1 3 243.420 0.623 20 0 BCADHO CC[C@H](C)[C@H](O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422719478 387633463 /nfs/dbraw/zinc/63/34/63/387633463.db2.gz YGAAFWSSAGWNIW-XWLWVQCSSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422720909 387633468 /nfs/dbraw/zinc/63/34/68/387633468.db2.gz UDJWUTTYZBVBLL-JHJVBQTASA-N 1 3 241.379 0.424 20 0 BCADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422720909 387633470 /nfs/dbraw/zinc/63/34/70/387633470.db2.gz UDJWUTTYZBVBLL-JHJVBQTASA-N 1 3 241.379 0.424 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430698386 387640475 /nfs/dbraw/zinc/64/04/75/387640475.db2.gz VAUFGXGTFJJSKZ-WCQYABFASA-N 1 3 241.379 0.960 20 0 BCADHO COCCN(C)CCCNC(=O)C(C)(C)C[NH3+] ZINC000430704136 387642273 /nfs/dbraw/zinc/64/22/73/387642273.db2.gz WPVMAUMWUBUVTK-UHFFFAOYSA-N 1 3 245.367 0.056 20 0 BCADHO COCC[N@H+](C)CCCNC(=O)[C@H](N)C(C)C ZINC000430702722 387643169 /nfs/dbraw/zinc/64/31/69/387643169.db2.gz RPPVUUKJIJJHAX-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO COCC[N@@H+](C)CCCNC(=O)[C@H](N)C(C)C ZINC000430702722 387643173 /nfs/dbraw/zinc/64/31/73/387643173.db2.gz RPPVUUKJIJJHAX-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO COC[C@@](C)(CCO)NCC[C@H]1CCC[N@@H+]1C ZINC000125181508 387645134 /nfs/dbraw/zinc/64/51/34/387645134.db2.gz PVDJRJMRUIUHRJ-CHWSQXEVSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@@](C)(CCO)NCC[C@H]1CCC[N@H+]1C ZINC000125181508 387645141 /nfs/dbraw/zinc/64/51/41/387645141.db2.gz PVDJRJMRUIUHRJ-CHWSQXEVSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@@](C)(CCO)[NH2+]CC[C@H]1CCCN1C ZINC000125181508 387645145 /nfs/dbraw/zinc/64/51/45/387645145.db2.gz PVDJRJMRUIUHRJ-CHWSQXEVSA-N 1 3 244.379 0.848 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)C[C@H]1C ZINC000430795864 387652577 /nfs/dbraw/zinc/65/25/77/387652577.db2.gz IMXCEHWTVWYABR-MXWKQRLJSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)C[C@H]1C ZINC000430795864 387652579 /nfs/dbraw/zinc/65/25/79/387652579.db2.gz IMXCEHWTVWYABR-MXWKQRLJSA-N 1 3 227.352 0.665 20 0 BCADHO CNCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000430802244 387653873 /nfs/dbraw/zinc/65/38/73/387653873.db2.gz KTNALVGEXCFZTA-LBPRGKRZSA-N 1 3 239.363 0.396 20 0 BCADHO CNCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000430802244 387653879 /nfs/dbraw/zinc/65/38/79/387653879.db2.gz KTNALVGEXCFZTA-LBPRGKRZSA-N 1 3 239.363 0.396 20 0 BCADHO CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430899996 387658914 /nfs/dbraw/zinc/65/89/14/387658914.db2.gz OCAGDRRPDXBYEN-QWRGUYRKSA-N 1 3 225.336 0.419 20 0 BCADHO CN(C(=O)CC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000430900944 387659492 /nfs/dbraw/zinc/65/94/92/387659492.db2.gz RWQVXNBMDKWMPR-JTQLQIEISA-N 1 3 211.309 0.030 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422761696 387662689 /nfs/dbraw/zinc/66/26/89/387662689.db2.gz RMDAKBBSBGKIKI-RYUDHWBXSA-N 1 3 241.379 0.736 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422761695 387663499 /nfs/dbraw/zinc/66/34/99/387663499.db2.gz RMDAKBBSBGKIKI-NWDGAFQWSA-N 1 3 241.379 0.736 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@H](C[NH2+]C)C1 ZINC000430937508 387664070 /nfs/dbraw/zinc/66/40/70/387664070.db2.gz CHDXQWZOXQKVQL-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCN1CCCC1 ZINC000422763905 387664849 /nfs/dbraw/zinc/66/48/49/387664849.db2.gz OBAVCOZMGFOXAG-VXGBXAGGSA-N 1 3 211.353 0.670 20 0 BCADHO CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC000362872500 387666104 /nfs/dbraw/zinc/66/61/04/387666104.db2.gz CNNNPNCPMGQFAD-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@@H]1CCCCN1 ZINC000422765329 387666504 /nfs/dbraw/zinc/66/65/04/387666504.db2.gz OVSFSHHCVITDHH-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CCN1CCC[C@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422769020 387669016 /nfs/dbraw/zinc/66/90/16/387669016.db2.gz ZWRAGSZWFABDRJ-PWSUYJOCSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000431022324 387670528 /nfs/dbraw/zinc/67/05/28/387670528.db2.gz NICAIGMHNQUEJZ-IVZWLZJFSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000431025371 387671236 /nfs/dbraw/zinc/67/12/36/387671236.db2.gz YZKCFKPIIMPVKR-JFGNBEQYSA-N 1 3 237.347 0.195 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000431022920 387671508 /nfs/dbraw/zinc/67/15/08/387671508.db2.gz FXJAPMRBBGQPIO-UMNHJUIQSA-N 1 3 239.363 0.441 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000431022322 387671557 /nfs/dbraw/zinc/67/15/57/387671557.db2.gz NICAIGMHNQUEJZ-AEJSXWLSSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000431025372 387671635 /nfs/dbraw/zinc/67/16/35/387671635.db2.gz YZKCFKPIIMPVKR-SCVCMEIPSA-N 1 3 237.347 0.195 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138637 387671890 /nfs/dbraw/zinc/67/18/90/387671890.db2.gz DKAOWZODDPAKRB-UTUOFQBUSA-N 1 3 239.363 0.524 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138637 387671893 /nfs/dbraw/zinc/67/18/93/387671893.db2.gz DKAOWZODDPAKRB-UTUOFQBUSA-N 1 3 239.363 0.524 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000431045634 387672918 /nfs/dbraw/zinc/67/29/18/387672918.db2.gz RMIJIVIPRIDHAG-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000431045634 387672921 /nfs/dbraw/zinc/67/29/21/387672921.db2.gz RMIJIVIPRIDHAG-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)[C@H](O)CCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422775876 387673077 /nfs/dbraw/zinc/67/30/77/387673077.db2.gz BPRQMRBBPXOSKF-QJPTWQEYSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N(C)C ZINC000126463305 387683320 /nfs/dbraw/zinc/68/33/20/387683320.db2.gz CBUDERRNLUKJAS-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000126463305 387683324 /nfs/dbraw/zinc/68/33/24/387683324.db2.gz CBUDERRNLUKJAS-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000424140586 387689912 /nfs/dbraw/zinc/68/99/12/387689912.db2.gz BJOMWSUAAMECQG-AXFHLTTASA-N 1 3 223.320 0.029 20 0 BCADHO C[C@H](NCCN1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422862208 387743741 /nfs/dbraw/zinc/74/37/41/387743741.db2.gz PISMDUHMYFMUJG-RYUDHWBXSA-N 1 3 225.380 0.916 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000422864480 387747597 /nfs/dbraw/zinc/74/75/97/387747597.db2.gz NEOVXFFAMMNSOR-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000441374703 387753343 /nfs/dbraw/zinc/75/33/43/387753343.db2.gz GOGNIYJNGLTYPB-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424141100 387699891 /nfs/dbraw/zinc/69/98/91/387699891.db2.gz GTFHQOUKBPYSJD-SDDRHHMPSA-N 1 3 237.347 0.278 20 0 BCADHO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000237574824 387710190 /nfs/dbraw/zinc/71/01/90/387710190.db2.gz HRLXSEWEJMNBSS-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000629613985 387712745 /nfs/dbraw/zinc/71/27/45/387712745.db2.gz UOFGBQLAVSEDCT-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000629613987 387714003 /nfs/dbraw/zinc/71/40/03/387714003.db2.gz UOFGBQLAVSEDCT-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](C(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000629614207 387716472 /nfs/dbraw/zinc/71/64/72/387716472.db2.gz DXZWOLPBWDXBPK-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CN(C/C=C/C[N@H+](C)CCCO)CCCO ZINC000440955782 387717275 /nfs/dbraw/zinc/71/72/75/387717275.db2.gz YECRMHMVODMPJQ-ONEGZZNKSA-N 1 3 230.352 0.171 20 0 BCADHO CN(C/C=C/C[N@@H+](C)CCCO)CCCO ZINC000440955782 387717277 /nfs/dbraw/zinc/71/72/77/387717277.db2.gz YECRMHMVODMPJQ-ONEGZZNKSA-N 1 3 230.352 0.171 20 0 BCADHO COC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000127587025 387719808 /nfs/dbraw/zinc/71/98/08/387719808.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000127587025 387719813 /nfs/dbraw/zinc/71/98/13/387719813.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000127587025 387719820 /nfs/dbraw/zinc/71/98/20/387719820.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000127587025 387719828 /nfs/dbraw/zinc/71/98/28/387719828.db2.gz ARZUJHBUGDKXMT-XQQFMLRXSA-N 1 3 242.363 0.410 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424141706 387719946 /nfs/dbraw/zinc/71/99/46/387719946.db2.gz HNRVIEZCEUACAB-TUAOUCFPSA-N 1 3 239.363 0.524 20 0 BCADHO CN(C)[C@]1(C[NH2+][C@H]2CCC[C@H]2N)CCSC1 ZINC000422828086 387721899 /nfs/dbraw/zinc/72/18/99/387721899.db2.gz SSDFZLGQSLSLBZ-WOPDTQHZSA-N 1 3 243.420 0.893 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424142529 387730754 /nfs/dbraw/zinc/73/07/54/387730754.db2.gz YKHXNEBCUBMROU-VPOLOUISSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424142529 387730759 /nfs/dbraw/zinc/73/07/59/387730759.db2.gz YKHXNEBCUBMROU-VPOLOUISSA-N 1 3 223.320 0.077 20 0 BCADHO C[C@H](O)C[C@H](C)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422789515 387731334 /nfs/dbraw/zinc/73/13/34/387731334.db2.gz TYZSXDXIFXXUQX-BJDJZHNGSA-N 1 3 214.353 0.981 20 0 BCADHO COCCN(C)CCC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000422848135 387734188 /nfs/dbraw/zinc/73/41/88/387734188.db2.gz SNPJDISCMZKOBH-QWHCGFSZSA-N 1 3 243.395 0.542 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H]2CNCC[C@H]2C)C1 ZINC000422890336 387763670 /nfs/dbraw/zinc/76/36/70/387763670.db2.gz RSRNZORJSDVXEV-AGIUHOORSA-N 1 3 241.379 0.295 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@]2(F)CCNC2)CC1 ZINC000378204362 387771383 /nfs/dbraw/zinc/77/13/83/387771383.db2.gz UFYSANOYWDWZKA-LBPRGKRZSA-N 1 3 243.326 0.146 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000422924091 387777862 /nfs/dbraw/zinc/77/78/62/387777862.db2.gz XQGVVBLIFRGXOW-IVZWLZJFSA-N 1 3 225.336 0.465 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424147266 387781050 /nfs/dbraw/zinc/78/10/50/387781050.db2.gz RCYPFEVLVFLEMY-AXFHLTTASA-N 1 3 225.336 0.134 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424147266 387781058 /nfs/dbraw/zinc/78/10/58/387781058.db2.gz RCYPFEVLVFLEMY-AXFHLTTASA-N 1 3 225.336 0.134 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424147267 387782336 /nfs/dbraw/zinc/78/23/36/387782336.db2.gz RCYPFEVLVFLEMY-MXWKQRLJSA-N 1 3 225.336 0.134 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424147267 387782338 /nfs/dbraw/zinc/78/23/38/387782338.db2.gz RCYPFEVLVFLEMY-MXWKQRLJSA-N 1 3 225.336 0.134 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000422982915 387793384 /nfs/dbraw/zinc/79/33/84/387793384.db2.gz YEFAKYWGYIPQPM-GRYCIOLGSA-N 1 3 230.352 0.504 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000422982918 387793462 /nfs/dbraw/zinc/79/34/62/387793462.db2.gz YEFAKYWGYIPQPM-WOPDTQHZSA-N 1 3 230.352 0.504 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCn1cccn1 ZINC000422985200 387795557 /nfs/dbraw/zinc/79/55/57/387795557.db2.gz CNJYKVDHKAJHHY-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442605224 387807289 /nfs/dbraw/zinc/80/72/89/387807289.db2.gz ZXVXHHVYIKTQAF-RYUDHWBXSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442598803 387808693 /nfs/dbraw/zinc/80/86/93/387808693.db2.gz AUVFBAKZIGLTLJ-TUAOUCFPSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)[C@H](Cn1cccn1)NC[C@H](C)[NH3+] ZINC000643526928 387760329 /nfs/dbraw/zinc/76/03/29/387760329.db2.gz HQIDEHMUBMUOGF-QWRGUYRKSA-N 1 3 210.325 0.845 20 0 BCADHO C[NH2+]CCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000418321289 387821314 /nfs/dbraw/zinc/82/13/14/387821314.db2.gz YLLQYBNWJRIARG-LLVKDONJSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H](NC[C@@H](O)CN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422973249 387822091 /nfs/dbraw/zinc/82/20/91/387822091.db2.gz BONYSBUMJWHZMV-QJPTWQEYSA-N 1 3 229.368 0.029 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000424156693 387825572 /nfs/dbraw/zinc/82/55/72/387825572.db2.gz PVSMGBIHIORXJL-QJPTWQEYSA-N 1 3 237.347 0.324 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000442711693 387826889 /nfs/dbraw/zinc/82/68/89/387826889.db2.gz FEMLAZJQVNIQEZ-GARJFASQSA-N 1 3 227.352 0.748 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000442711692 387827164 /nfs/dbraw/zinc/82/71/64/387827164.db2.gz FEMLAZJQVNIQEZ-DCAQKATOSA-N 1 3 227.352 0.748 20 0 BCADHO CCCC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000442715450 387829215 /nfs/dbraw/zinc/82/92/15/387829215.db2.gz MVHTUOURNHJYDB-SNVBAGLBSA-N 1 3 229.368 0.947 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCC(C)(C)CCO ZINC000423008954 387831527 /nfs/dbraw/zinc/83/15/27/387831527.db2.gz UXDTYQQPPDBUAA-QWRGUYRKSA-N 1 3 214.353 0.983 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)[C@@H](C)CC ZINC000442734530 387832957 /nfs/dbraw/zinc/83/29/57/387832957.db2.gz UEKFXZUHCKHSNJ-DCAQKATOSA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424159411 387839507 /nfs/dbraw/zinc/83/95/07/387839507.db2.gz SPMIGJFCQIFPLJ-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424159411 387839515 /nfs/dbraw/zinc/83/95/15/387839515.db2.gz SPMIGJFCQIFPLJ-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO [NH3+][C@H]1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000070502768 387840396 /nfs/dbraw/zinc/84/03/96/387840396.db2.gz JQUFIXBPFBQGJB-QWRGUYRKSA-N 1 3 225.336 0.326 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000442794557 387841636 /nfs/dbraw/zinc/84/16/36/387841636.db2.gz TZBCZGSHPODVQO-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000442794557 387841641 /nfs/dbraw/zinc/84/16/41/387841641.db2.gz TZBCZGSHPODVQO-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000442794557 387841646 /nfs/dbraw/zinc/84/16/46/387841646.db2.gz TZBCZGSHPODVQO-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](NC[C@@]1(O)CCN(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423037953 387850721 /nfs/dbraw/zinc/85/07/21/387850721.db2.gz NUIGICMBSWROHH-AGIUHOORSA-N 1 3 241.379 0.173 20 0 BCADHO CC[C@H](NC[C@]1(O)CCN(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423038156 387851463 /nfs/dbraw/zinc/85/14/63/387851463.db2.gz NUIGICMBSWROHH-RWMBFGLXSA-N 1 3 241.379 0.173 20 0 BCADHO CC1=CCN(CCN[C@H](C)C2C[NH2+]C2)CC1 ZINC000423041898 387856202 /nfs/dbraw/zinc/85/62/02/387856202.db2.gz YBEWBIQPPVUBSC-GFCCVEGCSA-N 1 3 223.364 0.836 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193653512 387858281 /nfs/dbraw/zinc/85/82/81/387858281.db2.gz RPXSYBRVUGSFBD-TXEJJXNPSA-N 1 3 239.363 0.348 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193653512 387858286 /nfs/dbraw/zinc/85/82/86/387858286.db2.gz RPXSYBRVUGSFBD-TXEJJXNPSA-N 1 3 239.363 0.348 20 0 BCADHO COCCOCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193614368 387858476 /nfs/dbraw/zinc/85/84/76/387858476.db2.gz WJUNBMNEFKLQLV-TXEJJXNPSA-N 1 3 228.336 0.143 20 0 BCADHO COCCOCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193614368 387858479 /nfs/dbraw/zinc/85/84/79/387858479.db2.gz WJUNBMNEFKLQLV-TXEJJXNPSA-N 1 3 228.336 0.143 20 0 BCADHO CCOC(=O)CCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193610081 387859891 /nfs/dbraw/zinc/85/98/91/387859891.db2.gz RTGBXQZSBBEDMY-TXEJJXNPSA-N 1 3 240.347 0.823 20 0 BCADHO CCOC(=O)CCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193610081 387859893 /nfs/dbraw/zinc/85/98/93/387859893.db2.gz RTGBXQZSBBEDMY-TXEJJXNPSA-N 1 3 240.347 0.823 20 0 BCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424172881 387869506 /nfs/dbraw/zinc/86/95/06/387869506.db2.gz LOEDZEMYKYPSBU-KXUCPTDWSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538883 387877630 /nfs/dbraw/zinc/87/76/30/387877630.db2.gz YTZPZLUHGZFJNE-RCWTZXSCSA-N 1 3 215.316 0.274 20 0 BCADHO CCN(CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645857438 387877830 /nfs/dbraw/zinc/87/78/30/387877830.db2.gz FPWOKRWOPZMHKS-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCC[NH2+]1 ZINC000643538345 387878292 /nfs/dbraw/zinc/87/82/92/387878292.db2.gz HHDPYVKDSARGCW-RCWTZXSCSA-N 1 3 215.316 0.417 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CC=CCC1 ZINC000423094546 387885657 /nfs/dbraw/zinc/88/56/57/387885657.db2.gz KJDWDJUSJMLSPO-VXGBXAGGSA-N 1 3 211.353 0.964 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423100270 387887994 /nfs/dbraw/zinc/88/79/94/387887994.db2.gz UZHYGJWXIURFPS-VXGBXAGGSA-N 1 3 209.337 0.718 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1NCCN1CC=CCC1 ZINC000423100270 387887998 /nfs/dbraw/zinc/88/79/98/387887998.db2.gz UZHYGJWXIURFPS-VXGBXAGGSA-N 1 3 209.337 0.718 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](N)CC(C)C ZINC000019512413 387918544 /nfs/dbraw/zinc/91/85/44/387918544.db2.gz PRSDSRSMKXMODF-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000236765620 387905268 /nfs/dbraw/zinc/90/52/68/387905268.db2.gz QHJDCFCQQPSESD-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000236763784 387906409 /nfs/dbraw/zinc/90/64/09/387906409.db2.gz QHJDCFCQQPSESD-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000236860844 387909069 /nfs/dbraw/zinc/90/90/69/387909069.db2.gz NPRCCJKQXXMPLC-NSHDSACASA-N 1 3 229.368 0.816 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)C(C)C)C(C)C ZINC000236860844 387909074 /nfs/dbraw/zinc/90/90/74/387909074.db2.gz NPRCCJKQXXMPLC-NSHDSACASA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232643 387910029 /nfs/dbraw/zinc/91/00/29/387910029.db2.gz LSQXFKGRCPBILB-UKKRHICBSA-N 1 3 225.336 0.038 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232620 387910718 /nfs/dbraw/zinc/91/07/18/387910718.db2.gz LSQXFKGRCPBILB-MMWGEVLESA-N 1 3 225.336 0.038 20 0 BCADHO N[C@H]1C[C@H]1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000424197307 387923229 /nfs/dbraw/zinc/92/32/29/387923229.db2.gz OATHPODBSNGYDG-FRRDWIJNSA-N 1 3 247.342 0.930 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)CN)Cc1ccccc1 ZINC000237191175 387924152 /nfs/dbraw/zinc/92/41/52/387924152.db2.gz IXOMEICPBZWBOA-LBPRGKRZSA-N 1 3 235.331 0.234 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCNc1ccncc1 ZINC000645642549 387948528 /nfs/dbraw/zinc/94/85/28/387948528.db2.gz JDDYMDRDDUVMJF-VHSXEESVSA-N 1 3 236.319 0.015 20 0 BCADHO C[C@@H](CNC(=O)C1CC[NH2+]CC1)N(C)C1CC1 ZINC000226398458 387949231 /nfs/dbraw/zinc/94/92/31/387949231.db2.gz FNEAFFQNOFWTIA-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO COC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245650519 387970049 /nfs/dbraw/zinc/97/00/49/387970049.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245650519 387970051 /nfs/dbraw/zinc/97/00/51/387970051.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000245650519 387970056 /nfs/dbraw/zinc/97/00/56/387970056.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000245650519 387970060 /nfs/dbraw/zinc/97/00/60/387970060.db2.gz ARZUJHBUGDKXMT-FRRDWIJNSA-N 1 3 242.363 0.410 20 0 BCADHO CCN1C[C@@H](C)[C@@H](NC2CC[NH2+]CC2)C1 ZINC000423185897 387970229 /nfs/dbraw/zinc/97/02/29/387970229.db2.gz NUUPLMWZJGSOAO-PWSUYJOCSA-N 1 3 211.353 0.668 20 0 BCADHO COc1ccc2c(c1)C[C@@H](NCCC[NH3+])CO2 ZINC000423192963 387978005 /nfs/dbraw/zinc/97/80/05/387978005.db2.gz QJWHDTUXZPDQAY-LLVKDONJSA-N 1 3 236.315 0.937 20 0 BCADHO C[C@H]1CC2(CN1Cc1cnnn1C)CC[NH2+]CC2 ZINC000424368494 387992203 /nfs/dbraw/zinc/99/22/03/387992203.db2.gz AAWMPJCURXPTSA-NSHDSACASA-N 1 3 249.362 0.779 20 0 BCADHO Cc1ccncc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423207854 387993634 /nfs/dbraw/zinc/99/36/34/387993634.db2.gz SINCLFYGJKFCQJ-CYBMUJFWSA-N 1 3 248.374 0.946 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423196997 387982466 /nfs/dbraw/zinc/98/24/66/387982466.db2.gz XENIDKKPRFSLPM-NQBHXWOUSA-N 1 3 223.364 0.811 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424374876 387999649 /nfs/dbraw/zinc/99/96/49/387999649.db2.gz LYEXGEKBZIJZMR-YNEHKIRRSA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424374876 387999652 /nfs/dbraw/zinc/99/96/52/387999652.db2.gz LYEXGEKBZIJZMR-YNEHKIRRSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424370983 387996297 /nfs/dbraw/zinc/99/62/97/387996297.db2.gz FLPMIKUPOMHMRF-DDHJBXDOSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229375 388014955 /nfs/dbraw/zinc/01/49/55/388014955.db2.gz BASYYRQXCQEJNA-MDZLAQPJSA-N 1 3 223.364 0.811 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)NCC[C@H](C)[NH3+] ZINC000423237108 388021267 /nfs/dbraw/zinc/02/12/67/388021267.db2.gz SWONWQDERKCPLG-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CC[NH2+]CCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423236371 388021467 /nfs/dbraw/zinc/02/14/67/388021467.db2.gz CBKAAUYOHOZEAO-QWRGUYRKSA-N 1 3 211.353 0.811 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@@H](C)C(C)(C)n1cncn1 ZINC000423256153 388036380 /nfs/dbraw/zinc/03/63/80/388036380.db2.gz BISHUBWNVGECCL-MNOVXSKESA-N 1 3 239.367 0.847 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423244861 388028021 /nfs/dbraw/zinc/02/80/21/388028021.db2.gz XWMOPMZQAUYLGW-WOPDTQHZSA-N 1 3 223.364 0.953 20 0 BCADHO C[NH2+]CCN[C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423249465 388031802 /nfs/dbraw/zinc/03/18/02/388031802.db2.gz SEHQMCXGAJOIEV-GARJFASQSA-N 1 3 228.336 0.773 20 0 BCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(N)CC1 ZINC000083834470 388063725 /nfs/dbraw/zinc/06/37/25/388063725.db2.gz HIWGKKIDIWAIMN-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423294461 388076963 /nfs/dbraw/zinc/07/69/63/388076963.db2.gz CAIMKIZLFADBOG-MDZLAQPJSA-N 1 3 237.347 0.339 20 0 BCADHO COCCN1CC[C@@H]([NH2+]C[C@@H](N)C(C)C)C1 ZINC000423271322 388049268 /nfs/dbraw/zinc/04/92/68/388049268.db2.gz IXZQUKPQMSZSPU-VXGBXAGGSA-N 1 3 229.368 0.280 20 0 BCADHO COCCN1CC[C@@H](NC[C@@H]([NH3+])C(C)C)C1 ZINC000423271322 388049272 /nfs/dbraw/zinc/04/92/72/388049272.db2.gz IXZQUKPQMSZSPU-VXGBXAGGSA-N 1 3 229.368 0.280 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)C1(N)CCC1)C1CC1 ZINC000449330523 388174343 /nfs/dbraw/zinc/17/43/43/388174343.db2.gz ULHVKHMRSMPORH-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC000488500213 388183238 /nfs/dbraw/zinc/18/32/38/388183238.db2.gz DCTKFUKGPXTPBJ-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)N(C)C ZINC000454466562 388119567 /nfs/dbraw/zinc/11/95/67/388119567.db2.gz ILGMSTXMYUHJCI-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C)N(C)C ZINC000454466562 388119568 /nfs/dbraw/zinc/11/95/68/388119568.db2.gz ILGMSTXMYUHJCI-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC1(C[NH3+])CCCC1 ZINC000449113573 388144762 /nfs/dbraw/zinc/14/47/62/388144762.db2.gz GYDFVTORYYRKAK-SECBINFHSA-N 1 3 225.336 0.515 20 0 BCADHO NC1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCC1 ZINC000449117670 388145300 /nfs/dbraw/zinc/14/53/00/388145300.db2.gz PJMKFTCKJDGYPI-NSHDSACASA-N 1 3 239.363 0.892 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000449122427 388145523 /nfs/dbraw/zinc/14/55/23/388145523.db2.gz LIXULBJNKNHSRD-IQJOONFLSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449125746 388146121 /nfs/dbraw/zinc/14/61/21/388146121.db2.gz TZWOAVUBLKBWIM-CABZTGNLSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(N)CCC1 ZINC000449137086 388147961 /nfs/dbraw/zinc/14/79/61/388147961.db2.gz DJKLSKXXZBLHAD-SNVBAGLBSA-N 1 3 227.352 0.700 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)NC1CC1 ZINC000449145832 388148477 /nfs/dbraw/zinc/14/84/77/388148477.db2.gz MIOVLSGITQXQTN-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449539120 388227428 /nfs/dbraw/zinc/22/74/28/388227428.db2.gz VIANVBVPEFUJMG-CMPLNLGQSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)CCN1 ZINC000646327572 388229544 /nfs/dbraw/zinc/22/95/44/388229544.db2.gz HIGTUOACXDCYGG-VXGBXAGGSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C2(C)C[NH2+]C2)CCN1 ZINC000646329763 388235468 /nfs/dbraw/zinc/23/54/68/388235468.db2.gz ZLOCFCGBRWIGLU-SNVBAGLBSA-N 1 3 225.336 0.052 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570418 388236273 /nfs/dbraw/zinc/23/62/73/388236273.db2.gz JKNLJHFZFNOXAN-YFVNTRNASA-N 1 3 237.347 0.193 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000449603756 388240450 /nfs/dbraw/zinc/24/04/50/388240450.db2.gz WGKZUPKWWGBACU-CIUDSAMLSA-N 1 3 201.314 0.213 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000449608567 388241645 /nfs/dbraw/zinc/24/16/45/388241645.db2.gz IKABFTBXTUWDAO-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)CN(C)C(C)C ZINC000449608503 388241783 /nfs/dbraw/zinc/24/17/83/388241783.db2.gz IDANXQIBNQQUMK-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000449629234 388246168 /nfs/dbraw/zinc/24/61/68/388246168.db2.gz FETOXZFWDVHDRG-UTUOFQBUSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)C1CC([NH3+])C1 ZINC000449632529 388246496 /nfs/dbraw/zinc/24/64/96/388246496.db2.gz MYQSUOHTVVICOR-JEUQWKINSA-N 1 3 211.309 0.075 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449635625 388246968 /nfs/dbraw/zinc/24/69/68/388246968.db2.gz UXAWOVDHBBJAMY-OUAUKWLOSA-N 1 3 241.379 0.994 20 0 BCADHO CN(C)C/C=C/C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000491636833 388307274 /nfs/dbraw/zinc/30/72/74/388307274.db2.gz HWEIWKYPJBKFAG-WMADIVHISA-N 1 3 239.363 0.657 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)/C=C\CN(C)C ZINC000491845194 388324650 /nfs/dbraw/zinc/32/46/50/388324650.db2.gz JSCWWACGTAQLHE-LAUAKBEESA-N 1 3 241.379 0.951 20 0 BCADHO CCN(C)CCNC(=O)/C=C\C[NH+](C)C ZINC000491868743 388325478 /nfs/dbraw/zinc/32/54/78/388325478.db2.gz MNQWTMWZPAQMCE-SREVYHEPSA-N 1 3 213.325 0.172 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953095 388268816 /nfs/dbraw/zinc/26/88/16/388268816.db2.gz ANFHBZVGXMIKGG-JBLDHEPKSA-N 1 3 239.363 0.570 20 0 BCADHO N[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000646338359 388272190 /nfs/dbraw/zinc/27/21/90/388272190.db2.gz JYWLYSDCTGUFLT-DLOVCJGASA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000646338520 388272885 /nfs/dbraw/zinc/27/28/85/388272885.db2.gz PFEFKGIFQGSJIB-VHSXEESVSA-N 1 3 223.320 0.078 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385248 388348782 /nfs/dbraw/zinc/34/87/82/388348782.db2.gz ZUQGNOOTLZFFIB-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000646484490 388365617 /nfs/dbraw/zinc/36/56/17/388365617.db2.gz QBHXXNOCJMNTEQ-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316148298 388405515 /nfs/dbraw/zinc/40/55/15/388405515.db2.gz JIHDYACTXZGIPE-QJPTWQEYSA-N 1 3 212.337 0.864 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[NH2+]CCC ZINC000236797011 388383581 /nfs/dbraw/zinc/38/35/81/388383581.db2.gz YHSCDSSOZCRSID-JTQLQIEISA-N 1 3 215.341 0.620 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000236808735 388383923 /nfs/dbraw/zinc/38/39/23/388383923.db2.gz WKNPBLWPMSTMNS-ZJUUUORDSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000236906972 388385610 /nfs/dbraw/zinc/38/56/10/388385610.db2.gz LUXVWMSKEUONJL-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000236906972 388385613 /nfs/dbraw/zinc/38/56/13/388385613.db2.gz LUXVWMSKEUONJL-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000236925873 388386802 /nfs/dbraw/zinc/38/68/02/388386802.db2.gz JAICIVGZINGAJC-UWVGGRQHSA-N 1 3 229.368 0.816 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000646664744 388407056 /nfs/dbraw/zinc/40/70/56/388407056.db2.gz XQSUURYYQIHRAG-UDNWOFFPSA-N 1 3 225.336 0.371 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)CN(C)C(C)C ZINC000237115340 388389600 /nfs/dbraw/zinc/38/96/00/388389600.db2.gz XOOXYIOBOXZRLR-JTQLQIEISA-N 1 3 215.341 0.298 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000646612438 388394851 /nfs/dbraw/zinc/39/48/51/388394851.db2.gz RKZDEKLJQGLFRQ-LLVKDONJSA-N 1 3 227.352 0.476 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000238000480 388400511 /nfs/dbraw/zinc/40/05/11/388400511.db2.gz LNDHMYNZXRPDNJ-GARJFASQSA-N 1 3 225.336 0.372 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000520579455 256676005 /nfs/dbraw/zinc/67/60/05/256676005.db2.gz WHWAZAOJVBOIDO-NEPJUHHUSA-N 1 3 227.352 0.701 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCn1cccn1 ZINC000261537112 135173085 /nfs/dbraw/zinc/17/30/85/135173085.db2.gz UWZQYNVTWFMPNL-NSHDSACASA-N 1 3 210.325 0.846 20 0 BCADHO CC[C@@H](CO)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084215781 256759145 /nfs/dbraw/zinc/75/91/45/256759145.db2.gz WNDHGJBZHXQZDZ-VWYCJHECSA-N 1 3 200.326 0.864 20 0 BCADHO Cn1cncc1CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405481085 388475617 /nfs/dbraw/zinc/47/56/17/388475617.db2.gz NBVUVACIIJHTDN-GHMZBOCLSA-N 1 3 222.336 0.678 20 0 BCADHO Cn1cncc1CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000405481085 388475619 /nfs/dbraw/zinc/47/56/19/388475619.db2.gz NBVUVACIIJHTDN-GHMZBOCLSA-N 1 3 222.336 0.678 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646672795 388411555 /nfs/dbraw/zinc/41/15/55/388411555.db2.gz ONBSIXMGTUPGRV-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000646688519 388417019 /nfs/dbraw/zinc/41/70/19/388417019.db2.gz MJRXFNRHXRKATE-ZYHUDNBSSA-N 1 3 241.379 0.946 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646713325 388426385 /nfs/dbraw/zinc/42/63/85/388426385.db2.gz GFXLNBHORBDESS-UWVGGRQHSA-N 1 3 225.336 0.052 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000517237601 388544506 /nfs/dbraw/zinc/54/45/06/388544506.db2.gz LUBVXIOENXRJSC-BBBLOLIVSA-N 1 3 215.341 0.602 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000649273240 388483929 /nfs/dbraw/zinc/48/39/29/388483929.db2.gz ZMNXGIVKIPVSDY-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CNC)C1 ZINC000261553445 135193240 /nfs/dbraw/zinc/19/32/40/135193240.db2.gz SMCJCHAUACDHFA-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC)C1 ZINC000261553445 135193243 /nfs/dbraw/zinc/19/32/43/135193243.db2.gz SMCJCHAUACDHFA-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H]1CNCCC1(F)F ZINC000649276338 388496315 /nfs/dbraw/zinc/49/63/15/388496315.db2.gz ODIZVAVQFCDWJA-SECBINFHSA-N 1 3 249.305 0.299 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000649276339 388496648 /nfs/dbraw/zinc/49/66/48/388496648.db2.gz ODIZVAVQFCDWJA-VIFPVBQESA-N 1 3 249.305 0.299 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649277219 388499860 /nfs/dbraw/zinc/49/98/60/388499860.db2.gz MXDOLKMLPOUOQG-NNYUYHANSA-N 1 3 237.347 0.052 20 0 BCADHO Cc1ccc(CNCC2(O)CC[NH+](C)CC2)nc1 ZINC000344552290 388507878 /nfs/dbraw/zinc/50/78/78/388507878.db2.gz MNZHISZZNCAMBS-UHFFFAOYSA-N 1 3 249.358 0.936 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](COC)C1CC1 ZINC000397968758 388513189 /nfs/dbraw/zinc/51/31/89/388513189.db2.gz SGRFIWIYLUOFDO-ONGXEEELSA-N 1 3 200.326 0.857 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000548113438 388513974 /nfs/dbraw/zinc/51/39/74/388513974.db2.gz YSKYUPPQRRASLD-NSHDSACASA-N 1 3 239.363 0.491 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000548113438 388513977 /nfs/dbraw/zinc/51/39/77/388513977.db2.gz YSKYUPPQRRASLD-NSHDSACASA-N 1 3 239.363 0.491 20 0 BCADHO NC1(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])CCC1 ZINC000516866311 388521102 /nfs/dbraw/zinc/52/11/02/388521102.db2.gz MYVGWXVOCDJXFC-OUAUKWLOSA-N 1 3 237.347 0.454 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598607 388532114 /nfs/dbraw/zinc/53/21/14/388532114.db2.gz WDTUJQVXJWJEJA-RYUDHWBXSA-N 1 3 244.379 0.438 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598607 388532118 /nfs/dbraw/zinc/53/21/18/388532118.db2.gz WDTUJQVXJWJEJA-RYUDHWBXSA-N 1 3 244.379 0.438 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598605 388533108 /nfs/dbraw/zinc/53/31/08/388533108.db2.gz WDTUJQVXJWJEJA-NEPJUHHUSA-N 1 3 244.379 0.438 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@@H](CO)C(C)(C)C)C1CC1 ZINC000351598605 388533110 /nfs/dbraw/zinc/53/31/10/388533110.db2.gz WDTUJQVXJWJEJA-NEPJUHHUSA-N 1 3 244.379 0.438 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@H](CO)C(C)(C)C)C1CC1 ZINC000351598608 388533131 /nfs/dbraw/zinc/53/31/31/388533131.db2.gz WDTUJQVXJWJEJA-VXGBXAGGSA-N 1 3 244.379 0.438 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@H](CO)C(C)(C)C)C1CC1 ZINC000351598608 388533134 /nfs/dbraw/zinc/53/31/34/388533134.db2.gz WDTUJQVXJWJEJA-VXGBXAGGSA-N 1 3 244.379 0.438 20 0 BCADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](N2CCCC2)C1 ZINC000649316900 388607176 /nfs/dbraw/zinc/60/71/76/388607176.db2.gz YAXSTOQLAZETME-WUHRBBMRSA-N 1 3 249.358 0.149 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[NH+]1CCCCCC1 ZINC000521068229 388561734 /nfs/dbraw/zinc/56/17/34/388561734.db2.gz QPFHHZLSKAKIQP-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183576013 388569936 /nfs/dbraw/zinc/56/99/36/388569936.db2.gz PQZYHVPJENPPFM-WUHRBBMRSA-N 1 3 224.348 0.996 20 0 BCADHO C[C@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183576013 388569937 /nfs/dbraw/zinc/56/99/37/388569937.db2.gz PQZYHVPJENPPFM-WUHRBBMRSA-N 1 3 224.348 0.996 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810328 388573321 /nfs/dbraw/zinc/57/33/21/388573321.db2.gz MBDZZULCUKOODP-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810328 388573324 /nfs/dbraw/zinc/57/33/24/388573324.db2.gz MBDZZULCUKOODP-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646856980 388625953 /nfs/dbraw/zinc/62/59/53/388625953.db2.gz UROTXZJKQYRCSC-SCVCMEIPSA-N 1 3 243.351 0.079 20 0 BCADHO CCN(CC)CC(=O)N(C)CCC[NH+](C)C ZINC000538316339 388684567 /nfs/dbraw/zinc/68/45/67/388684567.db2.gz UNAPCORGZZOPKQ-UHFFFAOYSA-N 1 3 229.368 0.738 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(CCOC)CC1 ZINC000530225957 388635799 /nfs/dbraw/zinc/63/57/99/388635799.db2.gz ZBECKBIHMYYAFG-ZDUSSCGKSA-N 1 3 244.379 0.705 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCCN1 ZINC000521876952 388638467 /nfs/dbraw/zinc/63/84/67/388638467.db2.gz LKEHTVMRNSYUIF-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1COCCN1 ZINC000530247403 388639548 /nfs/dbraw/zinc/63/95/48/388639548.db2.gz RTXFCRZYWAGGRK-WOPDTQHZSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1COCCN1 ZINC000530247402 388639747 /nfs/dbraw/zinc/63/97/47/388639747.db2.gz RTXFCRZYWAGGRK-UTUOFQBUSA-N 1 3 227.352 0.095 20 0 BCADHO C[NH+](C)C[C@H](O)CN[C@@H]1CCOC1(C)C ZINC000328394930 388642734 /nfs/dbraw/zinc/64/27/34/388642734.db2.gz PXNGMWPWRHCJOD-NXEZZACHSA-N 1 3 216.325 0.066 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455414 388751101 /nfs/dbraw/zinc/75/11/01/388751101.db2.gz MHILTEGARHRASF-GUBZILKMSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455414 388751102 /nfs/dbraw/zinc/75/11/02/388751102.db2.gz MHILTEGARHRASF-GUBZILKMSA-N 1 3 211.309 0.029 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)C(C)(C)C ZINC000262624126 135309524 /nfs/dbraw/zinc/30/95/24/135309524.db2.gz JVQDKWQXFQLMEM-SECBINFHSA-N 1 3 229.368 0.994 20 0 BCADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000522146141 388705656 /nfs/dbraw/zinc/70/56/56/388705656.db2.gz MEVJHKCEJNQTRE-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000522146141 388705658 /nfs/dbraw/zinc/70/56/58/388705658.db2.gz MEVJHKCEJNQTRE-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000553794141 388789903 /nfs/dbraw/zinc/78/99/03/388789903.db2.gz FYNFAMBDNZTDSR-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000553794141 388789906 /nfs/dbraw/zinc/78/99/06/388789906.db2.gz FYNFAMBDNZTDSR-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000092956710 388821926 /nfs/dbraw/zinc/82/19/26/388821926.db2.gz MRPQORNIVUZYEX-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO N[C@@H](C(=O)N1CCC([NH3+])CC1)C1CCC1 ZINC000564796371 388889527 /nfs/dbraw/zinc/88/95/27/388889527.db2.gz FQTXXYTXDVIFPE-SNVBAGLBSA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000564955388 388901514 /nfs/dbraw/zinc/90/15/14/388901514.db2.gz YUQUSJFBTRAZQR-LPEHRKFASA-N 1 3 213.325 0.357 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC1CCN(C)CC1 ZINC000086065552 135489606 /nfs/dbraw/zinc/48/96/06/135489606.db2.gz GSMHFPZALCJIQB-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000565214455 388926954 /nfs/dbraw/zinc/92/69/54/388926954.db2.gz PDMQNTAZUBFWHF-INTQDDNPSA-N 1 3 225.336 0.099 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000262464840 388935436 /nfs/dbraw/zinc/93/54/36/388935436.db2.gz XRDMIBPVUHZWSH-GFCCVEGCSA-N 1 3 249.358 0.829 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)COCC)C1 ZINC000565416614 388943708 /nfs/dbraw/zinc/94/37/08/388943708.db2.gz FKLPHISZRFHDKZ-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)COCC)C1 ZINC000565416614 388943704 /nfs/dbraw/zinc/94/37/04/388943704.db2.gz FKLPHISZRFHDKZ-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COCC)C1 ZINC000565416614 388943710 /nfs/dbraw/zinc/94/37/10/388943710.db2.gz FKLPHISZRFHDKZ-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000566067895 388985587 /nfs/dbraw/zinc/98/55/87/388985587.db2.gz HPUSULXOBWGAAR-ATZCPNFKSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCN1CCO[C@H](C)C1 ZINC000566069135 388985600 /nfs/dbraw/zinc/98/56/00/388985600.db2.gz WRIUHTPNRSHROP-XQQFMLRXSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@@H](NC[C@H](C)O)C(C)(C)C[NH+](C)C ZINC000566117061 388989039 /nfs/dbraw/zinc/98/90/39/388989039.db2.gz RYRCEPVKACOUDX-VHSXEESVSA-N 1 3 202.342 0.933 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000494703049 533536962 /nfs/dbraw/zinc/53/69/62/533536962.db2.gz MPEMFELXFQQALF-WDEREUQCSA-N 1 3 227.352 0.762 20 0 BCADHO c1cc(N[C@@H]2CC[NH2+]C2)ncc1N1CCNCC1 ZINC000333821037 132245686 /nfs/dbraw/zinc/24/56/86/132245686.db2.gz KWETXNYJGCWRNN-LLVKDONJSA-N 1 3 247.346 0.265 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335529078 133876441 /nfs/dbraw/zinc/87/64/41/133876441.db2.gz DQLYHMAJLDIDQB-PWSUYJOCSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000335923352 134007847 /nfs/dbraw/zinc/00/78/47/134007847.db2.gz OIOGWAJLMIDMJF-SKDRFNHKSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335963671 134027671 /nfs/dbraw/zinc/02/76/71/134027671.db2.gz VFMWCSVIZIGRMZ-MNOVXSKESA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335963670 134027882 /nfs/dbraw/zinc/02/78/82/134027882.db2.gz VFMWCSVIZIGRMZ-GHMZBOCLSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CNC2 ZINC000335990080 134039647 /nfs/dbraw/zinc/03/96/47/134039647.db2.gz HCWLXDVFWAQAAK-NOZJJQNGSA-N 1 3 245.326 0.852 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127629 134093359 /nfs/dbraw/zinc/09/33/59/134093359.db2.gz GAVWISNBIFVIQU-WCBMZHEXSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000168987977 134248899 /nfs/dbraw/zinc/24/88/99/134248899.db2.gz NOGCBHGGZVZUMA-UWVGGRQHSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCOC1 ZINC000219317020 134281266 /nfs/dbraw/zinc/28/12/66/134281266.db2.gz HOSRBAFHSCJIJY-RYUDHWBXSA-N 1 3 230.352 0.579 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178735947 134311087 /nfs/dbraw/zinc/31/10/87/134311087.db2.gz MUGONMNJIRCCPC-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000178702946 134313370 /nfs/dbraw/zinc/31/33/70/134313370.db2.gz JEJYQKWGDCXMCU-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815853 134315861 /nfs/dbraw/zinc/31/58/61/134315861.db2.gz BUSXAUUSPSUJSC-GUBZILKMSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815853 134315862 /nfs/dbraw/zinc/31/58/62/134315862.db2.gz BUSXAUUSPSUJSC-GUBZILKMSA-N 1 3 213.325 0.275 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@]1(C)CCCCN1 ZINC000180897495 134331985 /nfs/dbraw/zinc/33/19/85/134331985.db2.gz OWVGIEPDCROBPU-JQWIXIFHSA-N 1 3 227.352 0.490 20 0 BCADHO CCC[NH+]1CCC(NCC[C@H](O)COC)CC1 ZINC000223821409 134343025 /nfs/dbraw/zinc/34/30/25/134343025.db2.gz XXOJONAPQDJMOV-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226868782 134370361 /nfs/dbraw/zinc/37/03/61/134370361.db2.gz VVILLYPXRWIEPG-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CN1CCC[C@H]2C[N@H+](CCOCCO)CC[C@H]21 ZINC000227342777 134378168 /nfs/dbraw/zinc/37/81/68/134378168.db2.gz FTNBVPNCVNTAER-QWHCGFSZSA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC[C@H]2C[N@@H+](CCOCCO)CC[C@H]21 ZINC000227342777 134378169 /nfs/dbraw/zinc/37/81/69/134378169.db2.gz FTNBVPNCVNTAER-QWHCGFSZSA-N 1 3 242.363 0.411 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3)C[C@H]12 ZINC000248568245 135004731 /nfs/dbraw/zinc/00/47/31/135004731.db2.gz CEGAKGSHZHSQCN-KXNHARMFSA-N 1 3 237.347 0.324 20 0 BCADHO CC[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251088132 135064504 /nfs/dbraw/zinc/06/45/04/135064504.db2.gz NTRFOANFQOITMM-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251088132 135064506 /nfs/dbraw/zinc/06/45/06/135064506.db2.gz NTRFOANFQOITMM-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO CCC[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000236854967 135067407 /nfs/dbraw/zinc/06/74/07/135067407.db2.gz GRINEVBNOZFNKF-NSHDSACASA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000236854967 135067408 /nfs/dbraw/zinc/06/74/08/135067408.db2.gz GRINEVBNOZFNKF-NSHDSACASA-N 1 3 229.368 0.960 20 0 BCADHO O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333856 135068694 /nfs/dbraw/zinc/06/86/94/135068694.db2.gz PJQSMFZWGLWATL-RWMBFGLXSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333856 135068695 /nfs/dbraw/zinc/06/86/95/135068695.db2.gz PJQSMFZWGLWATL-RWMBFGLXSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000237401832 135070122 /nfs/dbraw/zinc/07/01/22/135070122.db2.gz HRLXSEWEJMNBSS-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000252464842 135091046 /nfs/dbraw/zinc/09/10/46/135091046.db2.gz MWDXAOQTVWLLLE-WRWGMCAJSA-N 1 3 230.352 0.312 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000252464842 135091048 /nfs/dbraw/zinc/09/10/48/135091048.db2.gz MWDXAOQTVWLLLE-WRWGMCAJSA-N 1 3 230.352 0.312 20 0 BCADHO CCOC[C@H](C)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252713998 135100447 /nfs/dbraw/zinc/10/04/47/135100447.db2.gz QTUFZHMCGZZYGY-RWMBFGLXSA-N 1 3 242.363 0.864 20 0 BCADHO CCOC[C@H](C)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252713998 135100449 /nfs/dbraw/zinc/10/04/49/135100449.db2.gz QTUFZHMCGZZYGY-RWMBFGLXSA-N 1 3 242.363 0.864 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252712982 135100581 /nfs/dbraw/zinc/10/05/81/135100581.db2.gz NXTQIZIAUYVSGG-GRYCIOLGSA-N 1 3 230.352 0.314 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252712982 135100583 /nfs/dbraw/zinc/10/05/83/135100583.db2.gz NXTQIZIAUYVSGG-GRYCIOLGSA-N 1 3 230.352 0.314 20 0 BCADHO CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261533449 135109199 /nfs/dbraw/zinc/10/91/99/135109199.db2.gz BAGOVGAEKNFATB-GRYCIOLGSA-N 1 3 212.337 0.689 20 0 BCADHO COc1ccc(CC[N@H+](C)C[C@H](O)CN)cc1 ZINC000259170820 135137533 /nfs/dbraw/zinc/13/75/33/135137533.db2.gz VUJRGIAWKFUUJK-GFCCVEGCSA-N 1 3 238.331 0.489 20 0 BCADHO COc1ccc(CC[N@@H+](C)C[C@H](O)CN)cc1 ZINC000259170820 135137534 /nfs/dbraw/zinc/13/75/34/135137534.db2.gz VUJRGIAWKFUUJK-GFCCVEGCSA-N 1 3 238.331 0.489 20 0 BCADHO C([C@@H]1CCOC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669138 135138168 /nfs/dbraw/zinc/13/81/68/135138168.db2.gz HZNBWYBUTHUGRT-NWDGAFQWSA-N 1 3 210.321 0.708 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+](C)CCC(N)=O ZINC000353169366 135166951 /nfs/dbraw/zinc/16/69/51/135166951.db2.gz OLPPADIBHVJYHG-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+](C)CCC(N)=O ZINC000353169366 135166953 /nfs/dbraw/zinc/16/69/53/135166953.db2.gz OLPPADIBHVJYHG-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO C[N@H+](C[C@H]1CCOC1)C[C@H]1CCCNC1 ZINC000261537700 135174307 /nfs/dbraw/zinc/17/43/07/135174307.db2.gz WENUDZNARJNPJO-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCCNC1 ZINC000261537700 135174308 /nfs/dbraw/zinc/17/43/08/135174308.db2.gz WENUDZNARJNPJO-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CN(C[C@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000261537700 135174309 /nfs/dbraw/zinc/17/43/09/135174309.db2.gz WENUDZNARJNPJO-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000261542604 135183144 /nfs/dbraw/zinc/18/31/44/135183144.db2.gz PVXFZGHFFQRGIC-JBLDHEPKSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000261542604 135183145 /nfs/dbraw/zinc/18/31/45/135183145.db2.gz PVXFZGHFFQRGIC-JBLDHEPKSA-N 1 3 241.379 0.959 20 0 BCADHO CC1(C)CN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261551150 135190428 /nfs/dbraw/zinc/19/04/28/135190428.db2.gz QFIANAOPNFPWSO-JQWIXIFHSA-N 1 3 212.337 0.689 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261551397 135190597 /nfs/dbraw/zinc/19/05/97/135190597.db2.gz QMNYBJBKKUZDQF-MWLCHTKSSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000261551399 135190652 /nfs/dbraw/zinc/19/06/52/135190652.db2.gz QMNYBJBKKUZDQF-ONGXEEELSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000261555146 135195695 /nfs/dbraw/zinc/19/56/95/135195695.db2.gz UTROXKLHGVALHZ-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CN(CCOCC[NH3+])CCOc1ccccc1 ZINC000261562247 135203935 /nfs/dbraw/zinc/20/39/35/135203935.db2.gz WDVYTMYKPKMIGP-UHFFFAOYSA-N 1 3 238.331 0.973 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cncn3)C[C@@H]21 ZINC000261562883 135204823 /nfs/dbraw/zinc/20/48/23/135204823.db2.gz WQPNTQAQJBQSGB-GRYCIOLGSA-N 1 3 235.335 0.337 20 0 BCADHO NC1(C[NH2+]CCN2CCCC2=O)CCC1 ZINC000261566933 135208296 /nfs/dbraw/zinc/20/82/96/135208296.db2.gz DSYZMZIVTQJDQG-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@](C)(N)CCC ZINC000261570683 135212935 /nfs/dbraw/zinc/21/29/35/135212935.db2.gz HBRIEVGXNBUUIB-NSHDSACASA-N 1 3 215.341 0.620 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)C(C)(C)C ZINC000261571649 135214237 /nfs/dbraw/zinc/21/42/37/135214237.db2.gz HQSXQYIGQFGBNF-XHNCKOQMSA-N 1 3 213.325 0.308 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)NCCN1CCCC1 ZINC000084381955 135215899 /nfs/dbraw/zinc/21/58/99/135215899.db2.gz NEVVUJDYYXSTNP-LLVKDONJSA-N 1 3 225.336 0.198 20 0 BCADHO [NH3+]CCN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000261575490 135216478 /nfs/dbraw/zinc/21/64/78/135216478.db2.gz JUQDZWCOIIMLGX-YPMHNXCESA-N 1 3 223.364 0.894 20 0 BCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N(C)C ZINC000261582725 135223560 /nfs/dbraw/zinc/22/35/60/135223560.db2.gz OPAKKGCSCMOANI-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO Cn1cnnc1[C@H]1CCCN1CC1CC[NH2+]CC1 ZINC000261588547 135229352 /nfs/dbraw/zinc/22/93/52/135229352.db2.gz VTRORBYHLMAIJX-GFCCVEGCSA-N 1 3 249.362 0.952 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000261598378 135236938 /nfs/dbraw/zinc/23/69/38/135236938.db2.gz ZLNREVROHMXUPI-AATLWQCWSA-N 1 3 213.325 0.226 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000261598380 135237051 /nfs/dbraw/zinc/23/70/51/135237051.db2.gz ZLNREVROHMXUPI-DOLQZWNJSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000261547091 135239629 /nfs/dbraw/zinc/23/96/29/135239629.db2.gz LUJVSUVQHUJLFG-ZYUZMQFOSA-N 1 3 213.325 0.179 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261649992 135242490 /nfs/dbraw/zinc/24/24/90/135242490.db2.gz FJROVMJVEZYKEZ-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N(C)C ZINC000261643531 135242921 /nfs/dbraw/zinc/24/29/21/135242921.db2.gz CUXUYHMLJIDIRR-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO FC(F)CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261638276 135243004 /nfs/dbraw/zinc/24/30/04/135243004.db2.gz FLPZXFZQXUJMEG-UHFFFAOYSA-N 1 3 247.333 0.869 20 0 BCADHO COC(=O)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)[C@H]1C ZINC000261689487 135245940 /nfs/dbraw/zinc/24/59/40/135245940.db2.gz AZRYIHQVPLUKSE-DMDPSCGWSA-N 1 3 240.347 0.869 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261685502 135245965 /nfs/dbraw/zinc/24/59/65/135245965.db2.gz CCGQXSLIMZQNKT-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261719121 135247283 /nfs/dbraw/zinc/24/72/83/135247283.db2.gz CIBLXLXPHZSXKL-LBPRGKRZSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000084420100 135249475 /nfs/dbraw/zinc/24/94/75/135249475.db2.gz RAWDPQROEMYBJY-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084420094 135249581 /nfs/dbraw/zinc/24/95/81/135249581.db2.gz RAWDPQROEMYBJY-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000261774733 135251568 /nfs/dbraw/zinc/25/15/68/135251568.db2.gz JBNYFUXCLHTDOX-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO COC(=O)C(C)(C)CCN1CC[C@H](C[NH3+])C1 ZINC000261795930 135253656 /nfs/dbraw/zinc/25/36/56/135253656.db2.gz GNLNIEKAMCGMRN-SNVBAGLBSA-N 1 3 228.336 0.856 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000261822443 135255690 /nfs/dbraw/zinc/25/56/90/135255690.db2.gz MPHLRUYFWIARJI-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCN2CCOC[C@@H]2C1 ZINC000261833725 135256341 /nfs/dbraw/zinc/25/63/41/135256341.db2.gz JHDKWKGSUYWVKC-ZDUSSCGKSA-N 1 3 239.363 0.002 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000261881390 135260385 /nfs/dbraw/zinc/26/03/85/135260385.db2.gz RWWQFWBVPAXHOQ-GXSJLCMTSA-N 1 3 245.392 0.277 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1C ZINC000261890815 135260828 /nfs/dbraw/zinc/26/08/28/135260828.db2.gz VDNATQLNZIQSBR-FIQHERPVSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261923074 135263757 /nfs/dbraw/zinc/26/37/57/135263757.db2.gz IUYHBGQZXGIHAT-FOGDFJRCSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)N(CC)CC ZINC000261925206 135263760 /nfs/dbraw/zinc/26/37/60/135263760.db2.gz JXPCGOXLPGZINK-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000261931793 135264693 /nfs/dbraw/zinc/26/46/93/135264693.db2.gz YYWOWFMCYVZENB-PWSUYJOCSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000261931793 135264694 /nfs/dbraw/zinc/26/46/94/135264694.db2.gz YYWOWFMCYVZENB-PWSUYJOCSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004486 135271114 /nfs/dbraw/zinc/27/11/14/135271114.db2.gz IAHLLOYLHIHPAO-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004491 135271167 /nfs/dbraw/zinc/27/11/67/135271167.db2.gz IAHLLOYLHIHPAO-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)[C@]1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033503 135275221 /nfs/dbraw/zinc/27/52/21/135275221.db2.gz OHVKHFMMAPPJKV-CHWSQXEVSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000262049243 135276275 /nfs/dbraw/zinc/27/62/75/135276275.db2.gz UVRWCPIYCBODNB-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@]1(CN2CCCC[C@@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064596 135276606 /nfs/dbraw/zinc/27/66/06/135276606.db2.gz RMLDTVJZYZRGLP-YPMHNXCESA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCC[C@H](C)C1 ZINC000262310249 135292181 /nfs/dbraw/zinc/29/21/81/135292181.db2.gz CUUIPRXGVNIRAA-WDEREUQCSA-N 1 3 227.352 0.429 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCCC[C@H]1C ZINC000262338319 135293647 /nfs/dbraw/zinc/29/36/47/135293647.db2.gz HOMLMPPIGYMTLL-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000262332794 135293863 /nfs/dbraw/zinc/29/38/63/135293863.db2.gz GWAWCYBVEZWQCC-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262374371 135298062 /nfs/dbraw/zinc/29/80/62/135298062.db2.gz MPISLLLOAYIXGO-KQXIARHKSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262448759 135299348 /nfs/dbraw/zinc/29/93/48/135299348.db2.gz QSGNCYUWMOQMGQ-WDEREUQCSA-N 1 3 227.352 0.748 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NCC1([NH3+])CCC1 ZINC000342602642 135301610 /nfs/dbraw/zinc/30/16/10/135301610.db2.gz YPINWEXHEBHPBA-GFCCVEGCSA-N 1 3 247.342 0.554 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000262544794 135305467 /nfs/dbraw/zinc/30/54/67/135305467.db2.gz ZOCDQILURJUOOU-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH3+])N1CCCCC1 ZINC000262551341 135305859 /nfs/dbraw/zinc/30/58/59/135305859.db2.gz YMMUABBBIRLZRT-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342702501 135306781 /nfs/dbraw/zinc/30/67/81/135306781.db2.gz CZZOFCZTNIQCIN-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262582700 135306831 /nfs/dbraw/zinc/30/68/31/135306831.db2.gz QMJSPNDDDIDYFR-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000342723470 135314483 /nfs/dbraw/zinc/31/44/83/135314483.db2.gz IWZGDRHYKASLPI-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)N(CC)CC ZINC000342723473 135314555 /nfs/dbraw/zinc/31/45/55/135314555.db2.gz IWZGDRHYKASLPI-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000263095193 135332651 /nfs/dbraw/zinc/33/26/51/135332651.db2.gz NPEHFRDXZYORBE-HBNTYKKESA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[C@H](C(=O)N1CCCNCC1)[C@@H](C)[NH3+] ZINC000335603408 135417837 /nfs/dbraw/zinc/41/78/37/135417837.db2.gz HSCQFFCCSHMCCU-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO Cn1ccc(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000343191327 135436411 /nfs/dbraw/zinc/43/64/11/135436411.db2.gz XXZCPCCQXVRVGA-UHFFFAOYSA-N 1 3 237.347 0.571 20 0 BCADHO CC(C)(O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334995007 135861147 /nfs/dbraw/zinc/86/11/47/135861147.db2.gz XSQBWYBNBQEVLO-LBPRGKRZSA-N 1 3 212.337 0.833 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000335346676 136066764 /nfs/dbraw/zinc/06/67/64/136066764.db2.gz UECSLNILOMBOTN-UWVGGRQHSA-N 1 3 227.352 0.522 20 0 BCADHO NC1(C(=O)NC2[C@@H]3CC[C@H]2CC([NH3+])C3)CCC1 ZINC000335357644 136074478 /nfs/dbraw/zinc/07/44/78/136074478.db2.gz CWTOGLHXPUIMRS-IXBNRNDTSA-N 1 3 237.347 0.500 20 0 BCADHO NCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375218 136085722 /nfs/dbraw/zinc/08/57/22/136085722.db2.gz MMCYFLBMAGOKIO-PWSUYJOCSA-N 1 3 237.347 0.420 20 0 BCADHO NCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335375218 136085723 /nfs/dbraw/zinc/08/57/23/136085723.db2.gz MMCYFLBMAGOKIO-PWSUYJOCSA-N 1 3 237.347 0.420 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CCC[NH3+])[C@@H]2C1 ZINC000335390859 136090449 /nfs/dbraw/zinc/09/04/49/136090449.db2.gz YLYZKUJSPMIUSG-GHMZBOCLSA-N 1 3 225.336 0.278 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CCC[NH3+])[C@H]2C1 ZINC000335390861 136090521 /nfs/dbraw/zinc/09/05/21/136090521.db2.gz YLYZKUJSPMIUSG-QWRGUYRKSA-N 1 3 225.336 0.278 20 0 BCADHO CNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397744 136092922 /nfs/dbraw/zinc/09/29/22/136092922.db2.gz WURHIUAZDDAFPG-MNOVXSKESA-N 1 3 225.336 0.054 20 0 BCADHO CN(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000335397087 136093173 /nfs/dbraw/zinc/09/31/73/136093173.db2.gz UUYPSISWQOIGMO-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000348663724 136115632 /nfs/dbraw/zinc/11/56/32/136115632.db2.gz FAKNVARMLSMYIX-WDEREUQCSA-N 1 3 229.368 0.639 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[NH+]1CCCCC1 ZINC000054071948 322855366 /nfs/dbraw/zinc/85/53/66/322855366.db2.gz BMBZOQGJORQEPX-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC1(C)SC[C@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000393825895 397896916 /nfs/dbraw/zinc/89/69/16/397896916.db2.gz GORFEOAETCZZSO-WDEREUQCSA-N 1 3 244.404 0.927 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](C)NC1CC1 ZINC000382965598 397911015 /nfs/dbraw/zinc/91/10/15/397911015.db2.gz PXTOMANLXYDBSN-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000637845691 398029728 /nfs/dbraw/zinc/02/97/28/398029728.db2.gz BSMXBUSCZDHXPX-MNOVXSKESA-N 1 3 229.368 0.849 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000383585833 398030171 /nfs/dbraw/zinc/03/01/71/398030171.db2.gz GNFDNYZAPOAHJK-CHWSQXEVSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000383585833 398030172 /nfs/dbraw/zinc/03/01/72/398030172.db2.gz GNFDNYZAPOAHJK-CHWSQXEVSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCc1ccn(C)c(=O)c1 ZINC000383753037 398036619 /nfs/dbraw/zinc/03/66/19/398036619.db2.gz ZYDFZWQDLBBZPY-ZDUSSCGKSA-N 1 3 237.347 0.848 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000389148928 398038107 /nfs/dbraw/zinc/03/81/07/398038107.db2.gz IXNFCBDTORKHLA-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000383791544 398040612 /nfs/dbraw/zinc/04/06/12/398040612.db2.gz LWLLKZOUWJTTRA-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](C)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313341740 398043841 /nfs/dbraw/zinc/04/38/41/398043841.db2.gz FXPPIFGYPVPKKG-UWVGGRQHSA-N 1 3 202.298 0.071 20 0 BCADHO COC[C@H](C)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313341740 398043846 /nfs/dbraw/zinc/04/38/46/398043846.db2.gz FXPPIFGYPVPKKG-UWVGGRQHSA-N 1 3 202.298 0.071 20 0 BCADHO C[C@@H](CNC(=O)/C=C\CN(C)C)[N@H+](C)C1CC1 ZINC000491853794 398075250 /nfs/dbraw/zinc/07/52/50/398075250.db2.gz WFCOYQRRELYSLP-GZTOBOFZSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H](CNC(=O)/C=C\CN(C)C)[N@@H+](C)C1CC1 ZINC000491853794 398075253 /nfs/dbraw/zinc/07/52/53/398075253.db2.gz WFCOYQRRELYSLP-GZTOBOFZSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](N)Cc1ccccc1 ZINC000289315372 398085966 /nfs/dbraw/zinc/08/59/66/398085966.db2.gz UDKYKRCNECYJLL-RTXFEEFZSA-N 1 3 247.342 0.505 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236929478 398117735 /nfs/dbraw/zinc/11/77/35/398117735.db2.gz YNMRECXAUZJGNW-WOPDTQHZSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000236937550 398118342 /nfs/dbraw/zinc/11/83/42/398118342.db2.gz JAICIVGZINGAJC-ZJUUUORDSA-N 1 3 229.368 0.816 20 0 BCADHO CN1CCC[C@H]1CC[N@H+](C)CCCO ZINC000336691311 398133122 /nfs/dbraw/zinc/13/31/22/398133122.db2.gz PTKKXWHBUATZAA-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+](C)CCCO ZINC000336691311 398133125 /nfs/dbraw/zinc/13/31/25/398133125.db2.gz PTKKXWHBUATZAA-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO C[NH2+]CCCNC(=O)[C@]1(C)CCCCN1 ZINC000237258853 173349009 /nfs/dbraw/zinc/34/90/09/173349009.db2.gz RCCGCYCZRISDBG-NSHDSACASA-N 1 3 213.325 0.244 20 0 BCADHO CC[C@H](CCO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000094953530 487565213 /nfs/dbraw/zinc/56/52/13/487565213.db2.gz ONNXMUBVJGBJDQ-CHWSQXEVSA-N 1 3 244.379 0.441 20 0 BCADHO CC[C@@H](CCO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000094953529 487565239 /nfs/dbraw/zinc/56/52/39/487565239.db2.gz ONNXMUBVJGBJDQ-QWHCGFSZSA-N 1 3 244.379 0.441 20 0 BCADHO CN1CCC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000086853420 487566271 /nfs/dbraw/zinc/56/62/71/487566271.db2.gz PREPKLZGVZUNMT-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCNCC1(C)C ZINC000393744222 487579115 /nfs/dbraw/zinc/57/91/15/487579115.db2.gz KEVNBYPATNINKX-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO C[C@H](O)C[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000228106958 487587504 /nfs/dbraw/zinc/58/75/04/487587504.db2.gz YCNLZZTUWANTBC-SDDRHHMPSA-N 1 3 230.352 0.192 20 0 BCADHO [NH3+]C1(CC(=O)NCCN2CCCCC2)CC1 ZINC000398114263 487605459 /nfs/dbraw/zinc/60/54/59/487605459.db2.gz OJEBLFSTRUJEKI-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[NH+](C)C[C@H](C)O ZINC000309000759 487605511 /nfs/dbraw/zinc/60/55/11/487605511.db2.gz LKIDAFNCZGROJT-QWRGUYRKSA-N 1 3 218.341 0.000 20 0 BCADHO C[C@@H]1CSCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254124 409553228 /nfs/dbraw/zinc/55/32/28/409553228.db2.gz FZUYUTFCOWSUFW-MNOVXSKESA-N 1 3 242.388 0.945 20 0 BCADHO CO[C@@H](CN1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280697 409600044 /nfs/dbraw/zinc/60/00/44/409600044.db2.gz GYZWQTCKIMLPQY-STQMWFEESA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@@H](C[N@@H+]1CCCO[C@@H](CN)C1)C1CCC1 ZINC000662280697 409600048 /nfs/dbraw/zinc/60/00/48/409600048.db2.gz GYZWQTCKIMLPQY-STQMWFEESA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@@H](C[N@H+]1CCCO[C@@H](CN)C1)C1CCC1 ZINC000662280697 409600056 /nfs/dbraw/zinc/60/00/56/409600056.db2.gz GYZWQTCKIMLPQY-STQMWFEESA-N 1 3 242.363 0.851 20 0 BCADHO [NH3+]CC12CCC(CC1)CN2C[C@@H]1CNCCO1 ZINC000662282484 409606531 /nfs/dbraw/zinc/60/65/31/409606531.db2.gz ACXWLMBVEBABLN-CPCZMJQVSA-N 1 3 239.363 0.178 20 0 BCADHO [NH3+]CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662389801 409692194 /nfs/dbraw/zinc/69/21/94/409692194.db2.gz DWXFBJYZMHCADC-LLVKDONJSA-N 1 3 219.288 0.296 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C)CN1 ZINC000653128574 409841139 /nfs/dbraw/zinc/84/11/39/409841139.db2.gz LWJXDLNDDQGEQU-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000662695045 409843851 /nfs/dbraw/zinc/84/38/51/409843851.db2.gz WTOFBZQNOCIMNZ-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653105785 409799003 /nfs/dbraw/zinc/79/90/03/409799003.db2.gz JPOVTQYTXBVUGK-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO C[C@@H](CCNC(=O)[C@H](N)C1CCC1)[NH+](C)C ZINC000662632587 409803768 /nfs/dbraw/zinc/80/37/68/409803768.db2.gz FMZDAKIKQMDKLJ-GXSJLCMTSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CCNC(=O)[C@H]1NCC1(C)C)[NH+](C)C ZINC000662636500 409807270 /nfs/dbraw/zinc/80/72/70/409807270.db2.gz YVTXKVMOHIVNMR-NXEZZACHSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)[C@H](C)[NH3+] ZINC000662782355 409913749 /nfs/dbraw/zinc/91/37/49/409913749.db2.gz JCCRSXCLAWHECK-DTWKUNHWSA-N 1 3 225.336 0.500 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653139379 409861571 /nfs/dbraw/zinc/86/15/71/409861571.db2.gz BYEJQEUCKCYFNU-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662746395 409880203 /nfs/dbraw/zinc/88/02/03/409880203.db2.gz KVRXIWYVYIPELX-FXPVBKGRSA-N 1 3 231.315 0.402 20 0 BCADHO C[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000308588242 409886935 /nfs/dbraw/zinc/88/69/35/409886935.db2.gz JHFAJDWTFHBEPE-DCAQKATOSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000308588242 409886939 /nfs/dbraw/zinc/88/69/39/409886939.db2.gz JHFAJDWTFHBEPE-DCAQKATOSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H]1NCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000662775114 409895907 /nfs/dbraw/zinc/89/59/07/409895907.db2.gz PYPDCSBSZZJAFJ-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000662910592 409977297 /nfs/dbraw/zinc/97/72/97/409977297.db2.gz PTAQWAAYDFIJQL-WYUUTHIRSA-N 1 3 237.347 0.052 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000662954190 409988467 /nfs/dbraw/zinc/98/84/67/409988467.db2.gz SRZUDLLAYRAELU-PWSUYJOCSA-N 1 3 235.331 0.281 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662834314 409943440 /nfs/dbraw/zinc/94/34/40/409943440.db2.gz FOBMYXJRFKQLLM-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662834316 409943480 /nfs/dbraw/zinc/94/34/80/409943480.db2.gz FOBMYXJRFKQLLM-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839450 409948444 /nfs/dbraw/zinc/94/84/44/409948444.db2.gz QPRWLDURWSQYMO-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839450 409948450 /nfs/dbraw/zinc/94/84/50/409948450.db2.gz QPRWLDURWSQYMO-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000662969194 409998526 /nfs/dbraw/zinc/99/85/26/409998526.db2.gz YLVJPSCLUGVIFM-KXUCPTDWSA-N 1 3 213.325 0.099 20 0 BCADHO CNCC(=O)NCCC[N@H+](C)CC(C)C ZINC000653176501 410151658 /nfs/dbraw/zinc/15/16/58/410151658.db2.gz WSEXVHMPEMNKFX-UHFFFAOYSA-N 1 3 215.341 0.300 20 0 BCADHO CNCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176501 410151664 /nfs/dbraw/zinc/15/16/64/410151664.db2.gz WSEXVHMPEMNKFX-UHFFFAOYSA-N 1 3 215.341 0.300 20 0 BCADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCCNCC1 ZINC000655411698 410215172 /nfs/dbraw/zinc/21/51/72/410215172.db2.gz HLFFFLDBIXGEKI-AAEUAGOBSA-N 1 3 237.347 0.198 20 0 BCADHO CCCN(C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221134 410170027 /nfs/dbraw/zinc/17/00/27/410170027.db2.gz JTYXGMOVTKSYNL-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)N(C)C ZINC000655445986 410268551 /nfs/dbraw/zinc/26/85/51/410268551.db2.gz WJVSGEPOIIWKLR-NTZNESFSSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)N(C)C ZINC000655445987 410268593 /nfs/dbraw/zinc/26/85/93/410268593.db2.gz WJVSGEPOIIWKLR-WZRBSPASSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653266449 410305889 /nfs/dbraw/zinc/30/58/89/410305889.db2.gz AFUZJGCAVNRESU-GFCCVEGCSA-N 1 3 241.379 0.866 20 0 BCADHO CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000665273898 410742843 /nfs/dbraw/zinc/74/28/43/410742843.db2.gz GKBULXNFVUWTKJ-SDDRHHMPSA-N 1 3 211.353 0.940 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)CNC2CC2)C1 ZINC000655489406 410798816 /nfs/dbraw/zinc/79/88/16/410798816.db2.gz QMDOJBOUSMZJOS-JGZJWPJOSA-N 1 3 225.336 0.195 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488681 410801268 /nfs/dbraw/zinc/80/12/68/410801268.db2.gz FAXNLIAYFSJAMV-LPEHRKFASA-N 1 3 213.325 0.051 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H](C)[C@H]1CCCOC1 ZINC000665298626 410829521 /nfs/dbraw/zinc/82/95/21/410829521.db2.gz ZERIFVVSIAGVBS-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H](C)[C@@H]1CCCOC1 ZINC000665298628 410830028 /nfs/dbraw/zinc/83/00/28/410830028.db2.gz ZERIFVVSIAGVBS-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396446563 410882811 /nfs/dbraw/zinc/88/28/11/410882811.db2.gz CTPSTJWCSQATQB-CMPLNLGQSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)NC(=O)CN(C)CC[C@H]1CCC[NH2+]C1 ZINC000051919321 167049215 /nfs/dbraw/zinc/04/92/15/167049215.db2.gz ILRKCNUJHGLRIL-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000129906636 167341564 /nfs/dbraw/zinc/34/15/64/167341564.db2.gz LRLMLMCMLWTKSD-NEPJUHHUSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000236710627 167342255 /nfs/dbraw/zinc/34/22/55/167342255.db2.gz CVYLBVQINLQVJX-LBPRGKRZSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC1CCN(C)CC1 ZINC000044800958 167395705 /nfs/dbraw/zinc/39/57/05/167395705.db2.gz BWHVAGKZODQXQB-LLVKDONJSA-N 1 3 227.352 0.428 20 0 BCADHO [NH3+]CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655961348 411163004 /nfs/dbraw/zinc/16/30/04/411163004.db2.gz OIZUSIJMHHNVOO-QWRGUYRKSA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000044538955 411137368 /nfs/dbraw/zinc/13/73/68/411137368.db2.gz BAZFUDSHGWZUKR-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000659989627 411159247 /nfs/dbraw/zinc/15/92/47/411159247.db2.gz PWYUNFPPFUIAAB-OLZOCXBDSA-N 1 3 244.379 0.921 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000659989627 411159248 /nfs/dbraw/zinc/15/92/48/411159248.db2.gz PWYUNFPPFUIAAB-OLZOCXBDSA-N 1 3 244.379 0.921 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000309399761 411162721 /nfs/dbraw/zinc/16/27/21/411162721.db2.gz HEJFREQJIHBRDP-IVZWLZJFSA-N 1 3 213.325 0.165 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N(C)CCN1CCCCC1 ZINC000652213314 411172654 /nfs/dbraw/zinc/17/26/54/411172654.db2.gz KPFYXBODENLZAZ-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO CCNC(=O)CN(C)CCC1CC[NH2+]CC1 ZINC000049727329 411243487 /nfs/dbraw/zinc/24/34/87/411243487.db2.gz GYUFDUKBFBFRTP-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO NC[C@H](NC(=O)CC[NH2+]C1CC1)C(F)(F)F ZINC000655517099 411187051 /nfs/dbraw/zinc/18/70/51/411187051.db2.gz DIUQDDAYKOSHIZ-ZETCQYMHSA-N 1 3 239.241 0.134 20 0 BCADHO C[C@H](C[NH2+]C[C@H]1C[C@@H](N(C)C)C1)S(C)(=O)=O ZINC000656153765 411188412 /nfs/dbraw/zinc/18/84/12/411188412.db2.gz MUDBPTWCMVDDDK-MXWKQRLJSA-N 1 3 248.392 0.349 20 0 BCADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)n1 ZINC000656200449 411205377 /nfs/dbraw/zinc/20/53/77/411205377.db2.gz QDCQNKOPAUELLE-WDEREUQCSA-N 1 3 237.351 0.607 20 0 BCADHO Cn1cnc(CCCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656200449 411205380 /nfs/dbraw/zinc/20/53/80/411205380.db2.gz QDCQNKOPAUELLE-WDEREUQCSA-N 1 3 237.351 0.607 20 0 BCADHO COCCC[NH+]1CCC(NCCOC)CC1 ZINC000652344758 411208343 /nfs/dbraw/zinc/20/83/43/411208343.db2.gz OXGZKRWJINPVEH-UHFFFAOYSA-N 1 3 230.352 0.723 20 0 BCADHO NC1(C(=O)N2CCC[C@H](C[NH3+])C2)CCCCC1 ZINC000237849990 411224583 /nfs/dbraw/zinc/22/45/83/411224583.db2.gz JGSZLKFNSGTABU-LLVKDONJSA-N 1 3 239.363 0.845 20 0 BCADHO CC(C)N(C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422884537 411233562 /nfs/dbraw/zinc/23/35/62/411233562.db2.gz XFYCVSAMCSYKIH-RYUDHWBXSA-N 1 3 213.369 0.914 20 0 BCADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396728957 411240920 /nfs/dbraw/zinc/24/09/20/411240920.db2.gz CKCPMNKWIADHHO-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000659642185 411277443 /nfs/dbraw/zinc/27/74/43/411277443.db2.gz JTASSOOJHGNRTL-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H]1CC[C@@H](CN(C)CCN2CC[NH2+]CC2)O1 ZINC000129383586 411280678 /nfs/dbraw/zinc/28/06/78/411280678.db2.gz YUQYMVZRTCEESC-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO CC[C@@](C)(N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468693 411280897 /nfs/dbraw/zinc/28/08/97/411280897.db2.gz RCUAAASUPCGXTR-GXSJLCMTSA-N 1 3 223.324 0.787 20 0 BCADHO CC[C@@H]1CN(C(=O)C2(N)CC2)CC[C@H]1[NH3+] ZINC000393734754 411282513 /nfs/dbraw/zinc/28/25/13/411282513.db2.gz ASOHOKQKTNGETF-RKDXNWHRSA-N 1 3 211.309 0.064 20 0 BCADHO CC(C)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889524 411285295 /nfs/dbraw/zinc/28/52/95/411285295.db2.gz NMOSZJJWOWJLFG-GFCCVEGCSA-N 1 3 211.353 0.622 20 0 BCADHO CCNC(=O)CN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919222 411286509 /nfs/dbraw/zinc/28/65/09/411286509.db2.gz TYFPHOWUZKUHRB-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO NC(=[NH2+])NCC1CCN(Cc2ccncc2)CC1 ZINC000656508389 411288451 /nfs/dbraw/zinc/28/84/51/411288451.db2.gz AJBHRKDQKFOYQR-UHFFFAOYSA-N 1 3 247.346 0.777 20 0 BCADHO C[C@H](CNC(=O)CNC1CC1)C[NH+]1CCCC1 ZINC000062076586 411329275 /nfs/dbraw/zinc/32/92/75/411329275.db2.gz IAUFUBGNZISXOL-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259670 411318108 /nfs/dbraw/zinc/31/81/08/411318108.db2.gz NGGNMRYGWZBUBD-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259670 411318110 /nfs/dbraw/zinc/31/81/10/411318110.db2.gz NGGNMRYGWZBUBD-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN1CCC([NH2+]C/C=C/CO)CC1 ZINC000658134314 411259748 /nfs/dbraw/zinc/25/97/48/411259748.db2.gz VRLKSIDAVSQCID-ONEGZZNKSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](CC(=O)N(C)C)[NH2+]CC1(N)CCCC1 ZINC000656789689 411370173 /nfs/dbraw/zinc/37/01/73/411370173.db2.gz VMCMUGWRJMPCRC-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000070188592 411371319 /nfs/dbraw/zinc/37/13/19/411371319.db2.gz LKESHDGDIXTGPH-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CC1CCN(CC(=O)N(C)CC[NH+](C)C)CC1 ZINC000121906494 168178070 /nfs/dbraw/zinc/17/80/70/168178070.db2.gz IHYDFKJIAOZZGD-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO CC1CCN(CCNC(=O)CC[NH3+])CC1 ZINC000040772554 168180606 /nfs/dbraw/zinc/18/06/06/168180606.db2.gz LLLLRNWPQNFTSO-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO CC1CCN(CCNC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115885 168181382 /nfs/dbraw/zinc/18/13/82/168181382.db2.gz QVUMLDLBTMOAPE-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)NCC(=O)NCCC1CC[NH2+]CC1 ZINC000659330666 411395474 /nfs/dbraw/zinc/39/54/74/411395474.db2.gz TUGWXTSJIONUGT-UHFFFAOYSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347825 411400723 /nfs/dbraw/zinc/40/07/23/411400723.db2.gz KFUUNIJCAGPYQP-CYZMBNFOSA-N 1 3 247.342 0.596 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659378169 411406266 /nfs/dbraw/zinc/40/62/66/411406266.db2.gz XRXZYBCLXDENJB-GMTAPVOTSA-N 1 3 227.352 0.700 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](C)N(C)C ZINC000659501353 411422962 /nfs/dbraw/zinc/42/29/62/411422962.db2.gz KTGPUJOMCJKCEG-WDEREUQCSA-N 1 3 244.383 0.609 20 0 BCADHO CCO[C@@H]1CN(CC(C)(C)O)C[C@H]1C[NH3+] ZINC000405371942 411427371 /nfs/dbraw/zinc/42/73/71/411427371.db2.gz JZFIGDKNQGNVRK-NXEZZACHSA-N 1 3 216.325 0.053 20 0 BCADHO CCO[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405513484 411433463 /nfs/dbraw/zinc/43/34/63/411433463.db2.gz GNUCMPZQOUIYHK-FRRDWIJNSA-N 1 3 242.363 0.851 20 0 BCADHO [NH3+]C1(CNC(=O)N2CCCNCC2)CCCC1 ZINC000659579238 411439661 /nfs/dbraw/zinc/43/96/61/411439661.db2.gz XUHVAMKOZPTWJY-UHFFFAOYSA-N 1 3 240.351 0.263 20 0 BCADHO C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)N(C)C ZINC000070618974 411441114 /nfs/dbraw/zinc/44/11/14/411441114.db2.gz GWOVGCIQKHTMOY-KOLCDFICSA-N 1 3 213.325 0.195 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659609726 411441528 /nfs/dbraw/zinc/44/15/28/411441528.db2.gz LDGYRRLVVPXSAV-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)CC[NH3+])C1 ZINC000659608999 411441762 /nfs/dbraw/zinc/44/17/62/411441762.db2.gz HSZKODUVOISPFF-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO CCCN(C(=O)[C@@H](C)NCC)[C@H]1CC[NH2+]C1 ZINC000637834026 411443975 /nfs/dbraw/zinc/44/39/75/411443975.db2.gz UIEIGMTUBRFMJY-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO NC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC2(CCC2)C1 ZINC000638927114 411513877 /nfs/dbraw/zinc/51/38/77/411513877.db2.gz QTDXFKNCPRQWGK-PHIMTYICSA-N 1 3 249.358 0.611 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925174 411513974 /nfs/dbraw/zinc/51/39/74/411513974.db2.gz JQIRKVNPYMMPHW-PHIMTYICSA-N 1 3 225.336 0.289 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000659991714 411522267 /nfs/dbraw/zinc/52/22/67/411522267.db2.gz ALDVQXGTHBQPNR-OLZOCXBDSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000659991714 411522269 /nfs/dbraw/zinc/52/22/69/411522269.db2.gz ALDVQXGTHBQPNR-OLZOCXBDSA-N 1 3 244.379 0.390 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC(C)C)C1 ZINC000040464014 170008021 /nfs/dbraw/zinc/00/80/21/170008021.db2.gz GMMJRYOEPXPMCZ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC(C)C)C1 ZINC000040464014 170008022 /nfs/dbraw/zinc/00/80/22/170008022.db2.gz GMMJRYOEPXPMCZ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000372119202 170008118 /nfs/dbraw/zinc/00/81/18/170008118.db2.gz XPTFEOGGUXUXAK-JQWIXIFHSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000372119202 170008119 /nfs/dbraw/zinc/00/81/19/170008119.db2.gz XPTFEOGGUXUXAK-JQWIXIFHSA-N 1 3 243.326 0.146 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC000335150591 170012461 /nfs/dbraw/zinc/01/24/61/170012461.db2.gz OEUYKNPUPCSGPY-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H](COC)OC)[C@H](C)C1 ZINC000358428906 170020381 /nfs/dbraw/zinc/02/03/81/170020381.db2.gz DWKKBHSVJCZMOF-AGIUHOORSA-N 1 3 244.379 0.968 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H](COC)OC)[C@H](C)C1 ZINC000358428906 170020383 /nfs/dbraw/zinc/02/03/83/170020383.db2.gz DWKKBHSVJCZMOF-AGIUHOORSA-N 1 3 244.379 0.968 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@@H](C)C1 ZINC000336778401 170020916 /nfs/dbraw/zinc/02/09/16/170020916.db2.gz LHIZJRSNACUMCZ-GUBZILKMSA-N 1 3 236.306 0.932 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@H](C)C1 ZINC000305130881 170021484 /nfs/dbraw/zinc/02/14/84/170021484.db2.gz MZNYLUSXAQBZNU-UPJWGTAASA-N 1 3 243.395 0.229 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH3+] ZINC000236848573 170023701 /nfs/dbraw/zinc/02/37/01/170023701.db2.gz QJOOVEGLCIVJGB-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000069626500 170059722 /nfs/dbraw/zinc/05/97/22/170059722.db2.gz JBMGCTVVPUFMRZ-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000036794710 170089206 /nfs/dbraw/zinc/08/92/06/170089206.db2.gz CCLQJJDPJVVZJE-GHMZBOCLSA-N 1 3 241.379 0.831 20 0 BCADHO CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250242611 170096066 /nfs/dbraw/zinc/09/60/66/170096066.db2.gz HNTZFDZMTXUWRW-GARJFASQSA-N 1 3 227.352 0.618 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000236944050 170114274 /nfs/dbraw/zinc/11/42/74/170114274.db2.gz JPXGQWXUZYTSPR-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CC[NH2+]CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000236915556 170114426 /nfs/dbraw/zinc/11/44/26/170114426.db2.gz YTXDSNRSTOBQOY-GFCCVEGCSA-N 1 3 235.331 0.802 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000236930448 170114611 /nfs/dbraw/zinc/11/46/11/170114611.db2.gz AKVJOUCTDKWXGN-LBPRGKRZSA-N 1 3 235.331 0.455 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC000236943224 170114832 /nfs/dbraw/zinc/11/48/32/170114832.db2.gz MINJDEVOSGAWBF-JTQLQIEISA-N 1 3 215.341 0.298 20 0 BCADHO CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN(C)C(C)C)C1 ZINC000660532229 411596777 /nfs/dbraw/zinc/59/67/77/411596777.db2.gz DWNMBVKTEGBEPA-RWMBFGLXSA-N 1 3 244.379 0.797 20 0 BCADHO CO[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CN(C)C(C)C)C1 ZINC000660532229 411596779 /nfs/dbraw/zinc/59/67/79/411596779.db2.gz DWNMBVKTEGBEPA-RWMBFGLXSA-N 1 3 244.379 0.797 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657840714 411610066 /nfs/dbraw/zinc/61/00/66/411610066.db2.gz VLRAAQKQJHREQH-FRRDWIJNSA-N 1 3 249.362 0.883 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657840714 411610067 /nfs/dbraw/zinc/61/00/67/411610067.db2.gz VLRAAQKQJHREQH-FRRDWIJNSA-N 1 3 249.362 0.883 20 0 BCADHO C[NH2+]CCNCc1nc2c(s1)CNCC2 ZINC000663495063 411668030 /nfs/dbraw/zinc/66/80/30/411668030.db2.gz UWBZTHRNVNMXDT-UHFFFAOYSA-N 1 3 226.349 0.098 20 0 BCADHO [NH3+][C@@H]1CCN(Cc2nc3c(s2)CNCC3)C1 ZINC000663493954 411672255 /nfs/dbraw/zinc/67/22/55/411672255.db2.gz FHSPMBVDQBYBEJ-MRVPVSSYSA-N 1 3 238.360 0.322 20 0 BCADHO N[C@H](CNC[C@@]12C[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000663493756 411673522 /nfs/dbraw/zinc/67/35/22/411673522.db2.gz JORRBXSRVULTOD-MCIONIFRSA-N 1 3 231.343 0.886 20 0 BCADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(=O)N(C)C ZINC000663504137 411687513 /nfs/dbraw/zinc/68/75/13/411687513.db2.gz WPZIEQAHGGNMDR-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO Cn1cncc1CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000314415416 411690114 /nfs/dbraw/zinc/69/01/14/411690114.db2.gz VHBJKQFEBWQNIW-TXEJJXNPSA-N 1 3 234.347 0.504 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1cnccn1 ZINC000576695370 411838367 /nfs/dbraw/zinc/83/83/67/411838367.db2.gz LWCBHDNHPRGHQL-VXGBXAGGSA-N 1 3 249.362 0.866 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766689 411877938 /nfs/dbraw/zinc/87/79/38/411877938.db2.gz HLSUSKYSHFYYSE-FRRDWIJNSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766689 411877942 /nfs/dbraw/zinc/87/79/42/411877942.db2.gz HLSUSKYSHFYYSE-FRRDWIJNSA-N 1 3 244.379 0.533 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036871814 170861172 /nfs/dbraw/zinc/86/11/72/170861172.db2.gz FPLXQTVOTIYLOJ-LLVKDONJSA-N 1 3 227.352 0.666 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139787 412001685 /nfs/dbraw/zinc/00/16/85/412001685.db2.gz BTNPENVXZWDTHX-FRRDWIJNSA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662139787 412001687 /nfs/dbraw/zinc/00/16/87/412001687.db2.gz BTNPENVXZWDTHX-FRRDWIJNSA-N 1 3 244.379 0.249 20 0 BCADHO COCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662152714 412008831 /nfs/dbraw/zinc/00/88/31/412008831.db2.gz YDZPKMMRCLBOMG-CYBMUJFWSA-N 1 3 242.363 0.554 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000219974955 412010173 /nfs/dbraw/zinc/01/01/73/412010173.db2.gz UHWANJPHWODOJM-JTQLQIEISA-N 1 3 227.352 0.583 20 0 BCADHO [NH3+]C[C@H]1CCCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662243692 412039410 /nfs/dbraw/zinc/03/94/10/412039410.db2.gz OXZNUPZQHXXMOK-NEPJUHHUSA-N 1 3 239.363 0.321 20 0 BCADHO CCN1CC[C@@H](N2CCC(C[NH2+]C)CC2)C1=O ZINC000662245570 412040941 /nfs/dbraw/zinc/04/09/41/412040941.db2.gz KZLOSASNRSUION-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662245118 412041248 /nfs/dbraw/zinc/04/12/48/412041248.db2.gz KOEIUCSQBFPCBY-VXGBXAGGSA-N 1 3 239.363 0.191 20 0 BCADHO COC[C@H](CN1CCC[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662245079 412041316 /nfs/dbraw/zinc/04/13/16/412041316.db2.gz MYPDJRRCWGGQLT-UTUOFQBUSA-N 1 3 230.352 0.707 20 0 BCADHO C[NH2+]CC1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000662244739 412042135 /nfs/dbraw/zinc/04/21/35/412042135.db2.gz GSFGVEUSNXHCPQ-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO COC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662249010 412046353 /nfs/dbraw/zinc/04/63/53/412046353.db2.gz NEVCHKZGLYOGHJ-LBPRGKRZSA-N 1 3 240.347 0.618 20 0 BCADHO CO[C@H](C[N@H+](C)C[C@@H](O)CN)C1CCC1 ZINC000662275610 412048391 /nfs/dbraw/zinc/04/83/91/412048391.db2.gz CYQFNCOPTXQCOZ-WDEREUQCSA-N 1 3 216.325 0.053 20 0 BCADHO CO[C@H](C[N@@H+](C)C[C@@H](O)CN)C1CCC1 ZINC000662275610 412048395 /nfs/dbraw/zinc/04/83/95/412048395.db2.gz CYQFNCOPTXQCOZ-WDEREUQCSA-N 1 3 216.325 0.053 20 0 BCADHO COC[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255083 412049099 /nfs/dbraw/zinc/04/90/99/412049099.db2.gz OFXHTDIAXWOQQN-VXGBXAGGSA-N 1 3 240.347 0.476 20 0 BCADHO COC[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255083 412049100 /nfs/dbraw/zinc/04/91/00/412049100.db2.gz OFXHTDIAXWOQQN-VXGBXAGGSA-N 1 3 240.347 0.476 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CNCCO3)C[C@@H]21 ZINC000662267517 412061153 /nfs/dbraw/zinc/06/11/53/412061153.db2.gz WFLOHYKUNCFMIR-FVCCEPFGSA-N 1 3 239.363 0.034 20 0 BCADHO C1=CCC(CN2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000662272281 412063571 /nfs/dbraw/zinc/06/35/71/412063571.db2.gz DFROSLKQZXQCFA-AWEZNQCLSA-N 1 3 235.375 0.932 20 0 BCADHO CN1CCC[C@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662272136 412063942 /nfs/dbraw/zinc/06/39/42/412063942.db2.gz KMQNRGCOBHJNSB-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO CO[C@@H](C[N@H+](C)C[C@H](O)CN)C1CCC1 ZINC000662275608 412067002 /nfs/dbraw/zinc/06/70/02/412067002.db2.gz CYQFNCOPTXQCOZ-MNOVXSKESA-N 1 3 216.325 0.053 20 0 BCADHO CO[C@@H](C[N@@H+](C)C[C@H](O)CN)C1CCC1 ZINC000662275608 412067009 /nfs/dbraw/zinc/06/70/09/412067009.db2.gz CYQFNCOPTXQCOZ-MNOVXSKESA-N 1 3 216.325 0.053 20 0 BCADHO C[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000665044604 412067397 /nfs/dbraw/zinc/06/73/97/412067397.db2.gz WGHJQJXQRLBGMM-QWRGUYRKSA-N 1 3 244.383 0.576 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000353473814 171146611 /nfs/dbraw/zinc/14/66/11/171146611.db2.gz VOXBXTADWROICB-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC[NH2+]1 ZINC000368199743 171195402 /nfs/dbraw/zinc/19/54/02/171195402.db2.gz HFTOUWJLDLGHIC-NHCYSSNCSA-N 1 3 243.326 0.335 20 0 BCADHO C[C@H](O)C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285166 412077654 /nfs/dbraw/zinc/07/76/54/412077654.db2.gz YMWBPXUKUIJUJC-CMPLNLGQSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@H](O)C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285166 412077655 /nfs/dbraw/zinc/07/76/55/412077655.db2.gz YMWBPXUKUIJUJC-CMPLNLGQSA-N 1 3 240.347 0.353 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N(C)C ZINC000373041641 171226492 /nfs/dbraw/zinc/22/64/92/171226492.db2.gz HFASKCNARXKUBC-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)NCCC[NH+]1CCCC1)N(C)C ZINC000359461271 171228517 /nfs/dbraw/zinc/22/85/17/171228517.db2.gz UIJOVKYNMYYUIT-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000338963481 171234007 /nfs/dbraw/zinc/23/40/07/171234007.db2.gz KCEDLNMJVPFPHL-SDDRHHMPSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000338963481 171234008 /nfs/dbraw/zinc/23/40/08/171234008.db2.gz KCEDLNMJVPFPHL-SDDRHHMPSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000365049025 171306230 /nfs/dbraw/zinc/30/62/30/171306230.db2.gz RQXWERDHLXSZDF-CMPLNLGQSA-N 1 3 245.342 0.535 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000365049025 171306232 /nfs/dbraw/zinc/30/62/32/171306232.db2.gz RQXWERDHLXSZDF-CMPLNLGQSA-N 1 3 245.342 0.535 20 0 BCADHO C[NH2+]CCCN1CC[C@@H](Cn2ccnn2)C1 ZINC000662294916 412084536 /nfs/dbraw/zinc/08/45/36/412084536.db2.gz GYPRGSUOQAPVIN-LLVKDONJSA-N 1 3 223.324 0.210 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291924 412081781 /nfs/dbraw/zinc/08/17/81/412081781.db2.gz ARPBGKGEYICAMS-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972276 171369648 /nfs/dbraw/zinc/36/96/48/171369648.db2.gz AYRFDIJGXXTTEH-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089259 171370800 /nfs/dbraw/zinc/37/08/00/171370800.db2.gz FVDNLMRZZJWPRH-IVZWLZJFSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)[NH2+]C ZINC000308979019 171371012 /nfs/dbraw/zinc/37/10/12/171371012.db2.gz HLHFHEWQAKHUHE-XHNCKOQMSA-N 1 3 201.314 0.084 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)[NH2+]C ZINC000308979007 171371476 /nfs/dbraw/zinc/37/14/76/171371476.db2.gz HLHFHEWQAKHUHE-DJLDLDEBSA-N 1 3 201.314 0.084 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000309004418 171371712 /nfs/dbraw/zinc/37/17/12/171371712.db2.gz PFIZNFTVLGIJMH-HRDYMLBCSA-N 1 3 201.314 0.071 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000662392135 412143213 /nfs/dbraw/zinc/14/32/13/412143213.db2.gz OLLZLPDVCUOHIU-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000337523731 171393962 /nfs/dbraw/zinc/39/39/62/171393962.db2.gz WXLJHZZXUSHCID-MMWGEVLESA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037467305 171394010 /nfs/dbraw/zinc/39/40/10/171394010.db2.gz NMOJBYMXWNIQEV-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366498285 171394022 /nfs/dbraw/zinc/39/40/22/171394022.db2.gz ROHDMNIEJQPXAV-YFKTTZPYSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368104654 171394112 /nfs/dbraw/zinc/39/41/12/171394112.db2.gz IKQJXNCJNZKQOA-QCNOEVLYSA-N 1 3 239.363 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248590575 171394191 /nfs/dbraw/zinc/39/41/91/171394191.db2.gz HATPCRGEDSYUKX-NGDQXYMTSA-N 1 3 239.363 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694731 171394380 /nfs/dbraw/zinc/39/43/80/171394380.db2.gz GEVYUZODZZZQRQ-PMUOWJKOSA-N 1 3 227.352 0.746 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316221 412094916 /nfs/dbraw/zinc/09/49/16/412094916.db2.gz XJJMBGCGENTCDZ-QWHCGFSZSA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000662316221 412094919 /nfs/dbraw/zinc/09/49/19/412094919.db2.gz XJJMBGCGENTCDZ-QWHCGFSZSA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@]2(C1)CCCOC2 ZINC000662316221 412094922 /nfs/dbraw/zinc/09/49/22/412094922.db2.gz XJJMBGCGENTCDZ-QWHCGFSZSA-N 1 3 242.363 0.459 20 0 BCADHO [NH3+]CCCN1CC[C@H](CN2CCCC2=O)C1 ZINC000662318201 412098740 /nfs/dbraw/zinc/09/87/40/412098740.db2.gz XLXOFDIUQBBOSX-NSHDSACASA-N 1 3 225.336 0.280 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCN1CC ZINC000662364296 412123396 /nfs/dbraw/zinc/12/33/96/412123396.db2.gz XOGBLVZAXXGQBC-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO NCc1cccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662393115 412142771 /nfs/dbraw/zinc/14/27/71/412142771.db2.gz PAYKMAIFCDSJQI-NEPJUHHUSA-N 1 3 249.314 0.448 20 0 BCADHO NCc1cccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662393120 412142996 /nfs/dbraw/zinc/14/29/96/412142996.db2.gz PAYKMAIFCDSJQI-VXGBXAGGSA-N 1 3 249.314 0.448 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)C[NH2+]C(C)C ZINC000662461697 412183199 /nfs/dbraw/zinc/18/31/99/412183199.db2.gz DRXYYYWFDWWRHG-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC(C)C ZINC000662461697 412183202 /nfs/dbraw/zinc/18/32/02/412183202.db2.gz DRXYYYWFDWWRHG-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H](CC)[NH2+]C ZINC000662462840 412183244 /nfs/dbraw/zinc/18/32/44/412183244.db2.gz OQNYNANNSDETFF-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665244156 412187241 /nfs/dbraw/zinc/18/72/41/412187241.db2.gz HKHBKFNIGOXOLO-ZDEQEGDKSA-N 1 3 242.363 0.768 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1C ZINC000662474813 412188038 /nfs/dbraw/zinc/18/80/38/412188038.db2.gz CSBZQVLPBFQWOV-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665245334 412188909 /nfs/dbraw/zinc/18/89/09/412188909.db2.gz FSXANZXUBQVJPR-VPOLOUISSA-N 1 3 216.325 0.363 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000662486912 412190773 /nfs/dbraw/zinc/19/07/73/412190773.db2.gz YEJUGKXCNLILLO-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662519626 412197954 /nfs/dbraw/zinc/19/79/54/412197954.db2.gz SWMZYVMUIGPZAD-WDEREUQCSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000662513647 412200744 /nfs/dbraw/zinc/20/07/44/412200744.db2.gz CIWYIFNPVRSVJV-NXEZZACHSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000662515934 412201455 /nfs/dbraw/zinc/20/14/55/412201455.db2.gz VEWAWONSHBIGIR-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000662514196 412201906 /nfs/dbraw/zinc/20/19/06/412201906.db2.gz LIRBXOGIUVDUHD-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)CCN(C)C1CC1 ZINC000662537722 412208570 /nfs/dbraw/zinc/20/85/70/412208570.db2.gz FEJBNTCGXKBPQK-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)CCN(C)C1CC1 ZINC000662539007 412209082 /nfs/dbraw/zinc/20/90/82/412209082.db2.gz XVYMQOBWFHLERI-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662548399 412211482 /nfs/dbraw/zinc/21/14/82/412211482.db2.gz DXXYMIWMFKUOND-ZWNOBZJWSA-N 1 3 247.342 0.932 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCNc1ccncc1 ZINC000662395133 412144284 /nfs/dbraw/zinc/14/42/84/412144284.db2.gz QMGGWADHOXBXPG-NWDGAFQWSA-N 1 3 248.330 0.159 20 0 BCADHO CC(C)NCC(=O)N1CCC(C[NH3+])CC1 ZINC000662395207 412144423 /nfs/dbraw/zinc/14/44/23/412144423.db2.gz RICPBPNOALSKCS-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCNc1ccncc1 ZINC000662395064 412144980 /nfs/dbraw/zinc/14/49/80/412144980.db2.gz POKAISVBCVEEBL-UHFFFAOYSA-N 1 3 236.319 0.030 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[NH2+]C2)CC2(CCC2)C1 ZINC000662396010 412146327 /nfs/dbraw/zinc/14/63/27/412146327.db2.gz RHBJBLOIQBVVJT-JTQLQIEISA-N 1 3 237.347 0.516 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000662404202 412149934 /nfs/dbraw/zinc/14/99/34/412149934.db2.gz QVHVITVVPKBLQF-SRVKXCTJSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000662404202 412149935 /nfs/dbraw/zinc/14/99/35/412149935.db2.gz QVHVITVVPKBLQF-SRVKXCTJSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000662404202 412149940 /nfs/dbraw/zinc/14/99/40/412149940.db2.gz QVHVITVVPKBLQF-SRVKXCTJSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CNCCN1C(=O)c1cccc2c1CNC2 ZINC000662404190 412150907 /nfs/dbraw/zinc/15/09/07/412150907.db2.gz PYQZIKXFKAHRJV-SNVBAGLBSA-N 1 3 245.326 0.724 20 0 BCADHO C[C@@H]1CNCCN1C(=O)c1cccc2c1C[NH2+]C2 ZINC000662404190 412150912 /nfs/dbraw/zinc/15/09/12/412150912.db2.gz PYQZIKXFKAHRJV-SNVBAGLBSA-N 1 3 245.326 0.724 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662405609 412151744 /nfs/dbraw/zinc/15/17/44/412151744.db2.gz ZPMAILWHBRLGGS-LPEHRKFASA-N 1 3 213.325 0.099 20 0 BCADHO C[NH2+]CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662408745 412153686 /nfs/dbraw/zinc/15/36/86/412153686.db2.gz ZOECQQMZUXPOAJ-LBPRGKRZSA-N 1 3 233.315 0.557 20 0 BCADHO CN(C(=O)C1(NC2CC2)CCC1)[C@H]1CC[NH2+]C1 ZINC000662415058 412157518 /nfs/dbraw/zinc/15/75/18/412157518.db2.gz MDEMJYRSNHHTOM-NSHDSACASA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)c1cccc2c1CNC2 ZINC000662418367 412159545 /nfs/dbraw/zinc/15/95/45/412159545.db2.gz SSGXDFUMGSXVOJ-VIFPVBQESA-N 1 3 233.315 0.709 20 0 BCADHO [NH3+]C[C@H](NC(=O)c1cccc2c1CNC2)C1CC1 ZINC000662422652 412162870 /nfs/dbraw/zinc/16/28/70/412162870.db2.gz YIRYFKOIJWSWRB-ZDUSSCGKSA-N 1 3 245.326 0.757 20 0 BCADHO CC(C)NCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000662427338 412164890 /nfs/dbraw/zinc/16/48/90/412164890.db2.gz GJCWOQFKXGEVIN-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000662425228 412165112 /nfs/dbraw/zinc/16/51/12/412165112.db2.gz YSKAMNNDNCOPAH-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO COC[C@H](CC[NH2+][C@@H]1CCC[C@@H](N)C1)OC ZINC000665235643 412173534 /nfs/dbraw/zinc/17/35/34/412173534.db2.gz XQODWRJMCFUYPU-UTUOFQBUSA-N 1 3 230.352 0.897 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662556885 412215860 /nfs/dbraw/zinc/21/58/60/412215860.db2.gz WUCYTEUUAVGHDF-VHSXEESVSA-N 1 3 213.325 0.371 20 0 BCADHO COC[C@@H](CC[NH2+][C@@H](C)C1CNC1)OC ZINC000665234456 412173863 /nfs/dbraw/zinc/17/38/63/412173863.db2.gz DCFOJQUUZKBGQH-GXSJLCMTSA-N 1 3 216.325 0.235 20 0 BCADHO COC[C@@H](CCN[C@@H](C)C1C[NH2+]C1)OC ZINC000665234456 412173866 /nfs/dbraw/zinc/17/38/66/412173866.db2.gz DCFOJQUUZKBGQH-GXSJLCMTSA-N 1 3 216.325 0.235 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN(CC)C1CC1 ZINC000662438355 412174347 /nfs/dbraw/zinc/17/43/47/412174347.db2.gz ZPTIYKFLTNOUKM-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO NC(C(=O)NCC1([NH3+])CCCC1)C(F)(F)F ZINC000662650247 412256204 /nfs/dbraw/zinc/25/62/04/412256204.db2.gz XRNIBZWHBMYNFJ-LURJTMIESA-N 1 3 239.241 0.264 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662650288 412257826 /nfs/dbraw/zinc/25/78/26/412257826.db2.gz YPORSZXEHZLTIF-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)N(C)C ZINC000662693037 412266960 /nfs/dbraw/zinc/26/69/60/412266960.db2.gz NCEFQGRFSHUJHN-NXEZZACHSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000662678925 412268739 /nfs/dbraw/zinc/26/87/39/412268739.db2.gz KLQDMBQYHVVVDI-WOPDTQHZSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000662692705 412273176 /nfs/dbraw/zinc/27/31/76/412273176.db2.gz FTJGAFUNIKWFSD-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662693944 412273292 /nfs/dbraw/zinc/27/32/92/412273292.db2.gz NGAHYDMMQJUNKN-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CN(CCNC(=O)[C@@H]1[NH2+]CCC1(C)C)C1CC1 ZINC000662696490 412274245 /nfs/dbraw/zinc/27/42/45/412274245.db2.gz LIJRRWDDEDUAHW-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(CCC)C1 ZINC000662702633 412275414 /nfs/dbraw/zinc/27/54/14/412275414.db2.gz AQJFQWVIHLSBHU-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)N(C)C1CC1 ZINC000662711293 412279412 /nfs/dbraw/zinc/27/94/12/412279412.db2.gz AVAFQZOLFYRKSM-OPRDCNLKSA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662725741 412284389 /nfs/dbraw/zinc/28/43/89/412284389.db2.gz VVWRWKWUDCECTJ-MXWKQRLJSA-N 1 3 229.368 0.849 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662731471 412286445 /nfs/dbraw/zinc/28/64/45/412286445.db2.gz DFWHCWPBYBRLAT-XWLWVQCSSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000662556886 412216644 /nfs/dbraw/zinc/21/66/44/412216644.db2.gz WUCYTEUUAVGHDF-ZJUUUORDSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@H]1CN(C(=O)CNC(C)C)CC[C@@H]1[NH3+] ZINC000662558060 412217308 /nfs/dbraw/zinc/21/73/08/412217308.db2.gz SLOBDDSENGXWLC-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000662560550 412218518 /nfs/dbraw/zinc/21/85/18/412218518.db2.gz GFGLSPLFEUPCPN-VHSXEESVSA-N 1 3 213.325 0.241 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277652 412220745 /nfs/dbraw/zinc/22/07/45/412220745.db2.gz HNDOBKNJDGTHRN-QTAHKJALSA-N 1 3 209.337 0.278 20 0 BCADHO C[C@@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000665277516 412221079 /nfs/dbraw/zinc/22/10/79/412221079.db2.gz DFDRRKNGBCCXRT-JJMZSNKZSA-N 1 3 235.375 0.953 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000662566523 412221204 /nfs/dbraw/zinc/22/12/04/412221204.db2.gz WBJIEWGBKPENHJ-TXEJJXNPSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000665278342 412221647 /nfs/dbraw/zinc/22/16/47/412221647.db2.gz BLUCJANWLOGCIZ-ZYGVAYEYSA-N 1 3 210.321 0.896 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662566743 412222927 /nfs/dbraw/zinc/22/29/27/412222927.db2.gz QSRBBRUEGPPUPK-SNVBAGLBSA-N 1 3 233.315 0.757 20 0 BCADHO CC(C)[C@H]([NH3+])CCN[C@H](C)CC(N)=O ZINC000665279944 412224565 /nfs/dbraw/zinc/22/45/65/412224565.db2.gz PUZBKYKBZSMQER-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N(C)CCN1CCCCC1 ZINC000662584011 412228541 /nfs/dbraw/zinc/22/85/41/412228541.db2.gz JXLNZDCCNOBRSW-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604996 412237250 /nfs/dbraw/zinc/23/72/50/412237250.db2.gz IMYXACFJSFLRSO-MRVPVSSYSA-N 1 3 201.314 0.165 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C[C@H]1CSCCN1 ZINC000662605899 412237565 /nfs/dbraw/zinc/23/75/65/412237565.db2.gz UBWXMRGHMOUEDH-VIFPVBQESA-N 1 3 245.392 0.277 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662621847 412244529 /nfs/dbraw/zinc/24/45/29/412244529.db2.gz XMIUPZRYNLVASF-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621066 412245149 /nfs/dbraw/zinc/24/51/49/412245149.db2.gz TZKMKJKVJMLGQB-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621066 412245151 /nfs/dbraw/zinc/24/51/51/412245151.db2.gz TZKMKJKVJMLGQB-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662621066 412245156 /nfs/dbraw/zinc/24/51/56/412245156.db2.gz TZKMKJKVJMLGQB-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCCF ZINC000665299356 412245907 /nfs/dbraw/zinc/24/59/07/412245907.db2.gz LJHXFUQWVORAIF-ZJUUUORDSA-N 1 3 204.289 0.690 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCCF ZINC000665299356 412245910 /nfs/dbraw/zinc/24/59/10/412245910.db2.gz LJHXFUQWVORAIF-ZJUUUORDSA-N 1 3 204.289 0.690 20 0 BCADHO CCn1nccc1CN[C@@H](CCC[NH3+])COC ZINC000665298884 412247810 /nfs/dbraw/zinc/24/78/10/412247810.db2.gz BUIAORWZXLUCDA-NSHDSACASA-N 1 3 240.351 0.747 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629671 412249121 /nfs/dbraw/zinc/24/91/21/412249121.db2.gz AXJPOCPVGKBLLE-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000662639471 412252154 /nfs/dbraw/zinc/25/21/54/412252154.db2.gz BLYYWDKBJQXLNE-WXHSDQCUSA-N 1 3 247.342 0.801 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CC1([NH3+])CC1 ZINC000662802344 412306198 /nfs/dbraw/zinc/30/61/98/412306198.db2.gz NWKHNYWGICYGQR-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@@H]2C1 ZINC000662806621 412307356 /nfs/dbraw/zinc/30/73/56/412307356.db2.gz SJMYKKQYBBYCML-FIQHERPVSA-N 1 3 237.347 0.276 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C1(NC2CC2)CCC1 ZINC000662817681 412309666 /nfs/dbraw/zinc/30/96/66/412309666.db2.gz VHQLTTBVABCDPF-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)N1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662821551 412310752 /nfs/dbraw/zinc/31/07/52/412310752.db2.gz HCHKLZIHZFQHJE-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](CC)[NH2+]C ZINC000662822281 412312082 /nfs/dbraw/zinc/31/20/82/412312082.db2.gz MAERTWMJUZFZJO-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662825065 412312733 /nfs/dbraw/zinc/31/27/33/412312733.db2.gz YKKUMTWSARVIDV-ZJUUUORDSA-N 1 3 239.363 0.890 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837777 412316412 /nfs/dbraw/zinc/31/64/12/412316412.db2.gz KZICEJBNLOMQAC-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837777 412316414 /nfs/dbraw/zinc/31/64/14/412316414.db2.gz KZICEJBNLOMQAC-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837781 412316972 /nfs/dbraw/zinc/31/69/72/412316972.db2.gz KZICEJBNLOMQAC-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837781 412316973 /nfs/dbraw/zinc/31/69/73/412316973.db2.gz KZICEJBNLOMQAC-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000662846064 412320015 /nfs/dbraw/zinc/32/00/15/412320015.db2.gz NNBBQLKDEMAOPZ-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000662846064 412320017 /nfs/dbraw/zinc/32/00/17/412320017.db2.gz NNBBQLKDEMAOPZ-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1NCCCC1(C)C ZINC000662845473 412320178 /nfs/dbraw/zinc/32/01/78/412320178.db2.gz SGYUALLYVAORIT-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO NC1(C(=O)NCC23CC(C2)C[NH2+]3)CCCCC1 ZINC000662925378 412346682 /nfs/dbraw/zinc/34/66/82/412346682.db2.gz PJKAVZOZQWJPNI-UHFFFAOYSA-N 1 3 237.347 0.516 20 0 BCADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945147 412350631 /nfs/dbraw/zinc/35/06/31/412350631.db2.gz GYENYLBGWBNIGS-OPRDCNLKSA-N 1 3 243.326 0.272 20 0 BCADHO N[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CC[C@H]1F ZINC000662943934 412350666 /nfs/dbraw/zinc/35/06/66/412350666.db2.gz FENGPULXTUATCI-RKDXNWHRSA-N 1 3 229.299 0.156 20 0 BCADHO CC[C@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]1 ZINC000662945158 412351671 /nfs/dbraw/zinc/35/16/71/412351671.db2.gz HMXRPOCUGREVKQ-CKYFFXLPSA-N 1 3 243.326 0.416 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662966389 412358295 /nfs/dbraw/zinc/35/82/95/412358295.db2.gz RBBACCSFIYRPHI-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662968484 412359389 /nfs/dbraw/zinc/35/93/89/412359389.db2.gz IYIPCKPGKPPTPS-SECBINFHSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CCN1C ZINC000662746228 412289782 /nfs/dbraw/zinc/28/97/82/412289782.db2.gz SBTFOVBRLNDWKA-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CCN1C ZINC000662746231 412289975 /nfs/dbraw/zinc/28/99/75/412289975.db2.gz SBTFOVBRLNDWKA-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662744917 412290301 /nfs/dbraw/zinc/29/03/01/412290301.db2.gz ADLKSBJDRZXZQY-KXUCPTDWSA-N 1 3 231.315 0.258 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CN1C1CC1 ZINC000662755368 412290822 /nfs/dbraw/zinc/29/08/22/412290822.db2.gz YTIWZZIZBNEBRP-ZJUUUORDSA-N 1 3 237.347 0.609 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC[C@H]1F ZINC000662750068 412291931 /nfs/dbraw/zinc/29/19/31/412291931.db2.gz RFZGRUPRKGZRMY-SGIHWFKDSA-N 1 3 229.299 0.012 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000662763738 412294005 /nfs/dbraw/zinc/29/40/05/412294005.db2.gz IJYVFUQMEGPELH-VIFPVBQESA-N 1 3 225.336 0.515 20 0 BCADHO NC1(C(=O)NC[C@@H]([NH3+])C2CC2)CC2(CCC2)C1 ZINC000662763431 412294030 /nfs/dbraw/zinc/29/40/30/412294030.db2.gz BHGFTEQZOKABJR-SNVBAGLBSA-N 1 3 237.347 0.502 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC2([NH3+])CC2)CCN1 ZINC000662769502 412296791 /nfs/dbraw/zinc/29/67/91/412296791.db2.gz FVHFRNPQUDBEBN-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662777423 412299165 /nfs/dbraw/zinc/29/91/65/412299165.db2.gz BRUMQLPGZFLVJV-LPEHRKFASA-N 1 3 243.326 0.191 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000662785531 412301492 /nfs/dbraw/zinc/30/14/92/412301492.db2.gz POWSHCCYEDTQIO-HOMQSWHASA-N 1 3 231.299 0.966 20 0 BCADHO CC[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)N(CC)CC ZINC000663011730 412370112 /nfs/dbraw/zinc/37/01/12/412370112.db2.gz QTBKKOUMFFIMGP-WCQYABFASA-N 1 3 241.379 0.975 20 0 BCADHO C[C@]1(NC(=O)C[C@H](N)c2ccccc2)CC[NH2+]C1 ZINC000663012761 412370835 /nfs/dbraw/zinc/37/08/35/412370835.db2.gz YUPQWAKAXXWGFG-JSGCOSHPSA-N 1 3 247.342 0.945 20 0 BCADHO CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1N)C1CC1 ZINC000331843852 172309819 /nfs/dbraw/zinc/30/98/19/172309819.db2.gz LCPWYVOTVCKTFA-GHMZBOCLSA-N 1 3 225.336 0.467 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CCN ZINC000082594483 172358359 /nfs/dbraw/zinc/35/83/59/172358359.db2.gz IQDFVXJZJMQGDJ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CCCC[C@@H]1CCN ZINC000082594483 172358361 /nfs/dbraw/zinc/35/83/61/172358361.db2.gz IQDFVXJZJMQGDJ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CN(C)C(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000082594483 172358364 /nfs/dbraw/zinc/35/83/64/172358364.db2.gz IQDFVXJZJMQGDJ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CN(C)C/C=C/C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000363058359 172396401 /nfs/dbraw/zinc/39/64/01/172396401.db2.gz NRUZRYVIUKROFN-FUEXJSSKSA-N 1 3 237.347 0.411 20 0 BCADHO CN(C)C/C=C/C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000363058359 172396405 /nfs/dbraw/zinc/39/64/05/172396405.db2.gz NRUZRYVIUKROFN-FUEXJSSKSA-N 1 3 237.347 0.411 20 0 BCADHO C[NH+](C)C/C=C/C(=O)N1CCN2CCC1CC2 ZINC000364930315 172398026 /nfs/dbraw/zinc/39/80/26/172398026.db2.gz DPTJBSKUFLTHAJ-ONEGZZNKSA-N 1 3 237.347 0.411 20 0 BCADHO CN1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000265938430 172398993 /nfs/dbraw/zinc/39/89/93/172398993.db2.gz XMOOQBVDKJRISU-SNAWJCMRSA-N 1 3 225.336 0.315 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000305660807 173027153 /nfs/dbraw/zinc/02/71/53/173027153.db2.gz OFTHRMWRZMBWKG-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000305660807 173027154 /nfs/dbraw/zinc/02/71/54/173027154.db2.gz OFTHRMWRZMBWKG-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H](C[N@H+](C)CCn2cncn2)C1 ZINC000336700578 173042254 /nfs/dbraw/zinc/04/22/54/173042254.db2.gz LGJALUKZONMDBW-LBPRGKRZSA-N 1 3 237.351 0.552 20 0 BCADHO CN1CCC[C@H](C[N@@H+](C)CCn2cncn2)C1 ZINC000336700578 173042256 /nfs/dbraw/zinc/04/22/56/173042256.db2.gz LGJALUKZONMDBW-LBPRGKRZSA-N 1 3 237.351 0.552 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171180 173043477 /nfs/dbraw/zinc/04/34/77/173043477.db2.gz SADCWKMZYUOLLO-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040673645 173044526 /nfs/dbraw/zinc/04/45/26/173044526.db2.gz MOPWEKGNEWQRKR-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000226394580 173053026 /nfs/dbraw/zinc/05/30/26/173053026.db2.gz GRPKGLUGWSUJST-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000364094560 173111974 /nfs/dbraw/zinc/11/19/74/173111974.db2.gz MJCOAZPHJJDPBC-OUAUKWLOSA-N 1 3 243.326 0.097 20 0 BCADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000364094560 173111976 /nfs/dbraw/zinc/11/19/76/173111976.db2.gz MJCOAZPHJJDPBC-OUAUKWLOSA-N 1 3 243.326 0.097 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037484882 173145886 /nfs/dbraw/zinc/14/58/86/173145886.db2.gz QJVHVQVYVNJXBH-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037484882 173145889 /nfs/dbraw/zinc/14/58/89/173145889.db2.gz QJVHVQVYVNJXBH-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CNC(=O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000043493534 173224583 /nfs/dbraw/zinc/22/45/83/173224583.db2.gz QRVILWGYILYQJD-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)C[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000336759466 173280573 /nfs/dbraw/zinc/28/05/73/173280573.db2.gz JAOBQZNRAWMQRJ-LLVKDONJSA-N 1 3 229.368 0.831 20 0 BCADHO CNC(=O)C[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000336759466 173280574 /nfs/dbraw/zinc/28/05/74/173280574.db2.gz JAOBQZNRAWMQRJ-LLVKDONJSA-N 1 3 229.368 0.831 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]CCCN(C)C(C)C ZINC000336759466 173280575 /nfs/dbraw/zinc/28/05/75/173280575.db2.gz JAOBQZNRAWMQRJ-LLVKDONJSA-N 1 3 229.368 0.831 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000338160517 173280794 /nfs/dbraw/zinc/28/07/94/173280794.db2.gz SXLGVGHAWPQIKS-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000338160517 173280795 /nfs/dbraw/zinc/28/07/95/173280795.db2.gz SXLGVGHAWPQIKS-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000338160516 173282327 /nfs/dbraw/zinc/28/23/27/173282327.db2.gz SXLGVGHAWPQIKS-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000338160516 173282328 /nfs/dbraw/zinc/28/23/28/173282328.db2.gz SXLGVGHAWPQIKS-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000341982829 173282779 /nfs/dbraw/zinc/28/27/79/173282779.db2.gz VLGOFRLSEWLPMX-TUAOUCFPSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000341982829 173282780 /nfs/dbraw/zinc/28/27/80/173282780.db2.gz VLGOFRLSEWLPMX-TUAOUCFPSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)[C@@H]([NH2+]CC[C@H]1CCCN1C)C(C)C ZINC000341865021 173296837 /nfs/dbraw/zinc/29/68/37/173296837.db2.gz DBPPLBNOBZZWDS-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CNC(=O)[C@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000250397382 173307326 /nfs/dbraw/zinc/30/73/26/173307326.db2.gz RIORFFPCVVBEKT-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371263362 173326532 /nfs/dbraw/zinc/32/65/32/173326532.db2.gz XWAGAMMZCPNGCH-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371263362 173326533 /nfs/dbraw/zinc/32/65/33/173326533.db2.gz XWAGAMMZCPNGCH-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826934 173327121 /nfs/dbraw/zinc/32/71/21/173327121.db2.gz UEXXGSYDKJDMSI-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000019517304 173328893 /nfs/dbraw/zinc/32/88/93/173328893.db2.gz UXBCSSOMFDQRGO-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000019517304 173328895 /nfs/dbraw/zinc/32/88/95/173328895.db2.gz UXBCSSOMFDQRGO-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237225318 173329454 /nfs/dbraw/zinc/32/94/54/173329454.db2.gz FVHIXOTVWFLCNA-UHFFFAOYSA-N 1 3 227.352 0.634 20 0 BCADHO CNCC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000237220628 173329464 /nfs/dbraw/zinc/32/94/64/173329464.db2.gz GMBXHAJLTNZJQI-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](C)N1CCCCC1 ZINC000038029500 173329777 /nfs/dbraw/zinc/32/97/77/173329777.db2.gz AICSBSAIFQHFQK-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930855 173329952 /nfs/dbraw/zinc/32/99/52/173329952.db2.gz HEUHFVYYJYPJMH-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CNCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000237251166 173330864 /nfs/dbraw/zinc/33/08/64/173330864.db2.gz CIXIGXCDFBXGHO-VIFPVBQESA-N 1 3 215.341 0.298 20 0 BCADHO C[NH2+]CC(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000237258098 173332357 /nfs/dbraw/zinc/33/23/57/173332357.db2.gz FWIIGOSCXJJUHH-CYBMUJFWSA-N 1 3 249.358 0.495 20 0 BCADHO C[NH2+]CC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809143 173332635 /nfs/dbraw/zinc/33/26/35/173332635.db2.gz ZSFPXUQWTSOULF-GFCCVEGCSA-N 1 3 235.331 0.625 20 0 BCADHO C[NH2+]CC1CCN(CCN2CCOCC2)CC1 ZINC000051756211 173338267 /nfs/dbraw/zinc/33/82/67/173338267.db2.gz UCEOIQYUNOHARS-UHFFFAOYSA-N 1 3 241.379 0.250 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000361725218 173338317 /nfs/dbraw/zinc/33/83/17/173338317.db2.gz CVLZMDIWEYOSNS-GFCCVEGCSA-N 1 3 243.326 0.146 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973396 173340100 /nfs/dbraw/zinc/34/01/00/173340100.db2.gz VFUHVVACTQMFDZ-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH2+]CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000367648802 173340498 /nfs/dbraw/zinc/34/04/98/173340498.db2.gz MMPYEAOBGJNSER-UHFFFAOYSA-N 1 3 233.315 0.516 20 0 BCADHO C[NH2+]CCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000375991527 173340903 /nfs/dbraw/zinc/34/09/03/173340903.db2.gz MYLYDYDTHNQXIC-CYBMUJFWSA-N 1 3 247.342 0.599 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726833 173344225 /nfs/dbraw/zinc/34/42/25/173344225.db2.gz LLKLYSGJQCKSPJ-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]CCCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000367365006 173344897 /nfs/dbraw/zinc/34/48/97/173344897.db2.gz JXCCPSIEVYMBFP-UHFFFAOYSA-N 1 3 248.330 0.665 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000124626208 173346142 /nfs/dbraw/zinc/34/61/42/173346142.db2.gz LTWJYNJDIVQZIA-ZDUSSCGKSA-N 1 3 249.358 0.624 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000121101641 173348121 /nfs/dbraw/zinc/34/81/21/173348121.db2.gz STUCCSGWLMPHDT-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000083362625 173348317 /nfs/dbraw/zinc/34/83/17/173348317.db2.gz WDSQFFZWBWVAJP-GFCCVEGCSA-N 1 3 235.331 0.802 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000070304858 173352058 /nfs/dbraw/zinc/35/20/58/173352058.db2.gz SMCBFJKKZKIGDO-LBPRGKRZSA-N 1 3 235.331 0.234 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000237061054 173355217 /nfs/dbraw/zinc/35/52/17/173355217.db2.gz JTFUEIARPKWILN-JQWIXIFHSA-N 1 3 235.331 0.658 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000237207629 173363324 /nfs/dbraw/zinc/36/33/24/173363324.db2.gz GKWKVGRAWZEHSH-PWSUYJOCSA-N 1 3 235.331 0.658 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000237066391 173367505 /nfs/dbraw/zinc/36/75/05/173367505.db2.gz ISAINIKVSFPRQF-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000261551634 173374222 /nfs/dbraw/zinc/37/42/22/173374222.db2.gz QQEITJAYVCHWQL-AEJSXWLSSA-N 1 3 213.325 0.051 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000132958658 173375033 /nfs/dbraw/zinc/37/50/33/173375033.db2.gz ZRSYQZAVMJVZQR-GARJFASQSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000132798723 173432771 /nfs/dbraw/zinc/43/27/71/173432771.db2.gz WBESDVOXNTWAJQ-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335399261 487626471 /nfs/dbraw/zinc/62/64/71/487626471.db2.gz NYGGRWHONFJLEF-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335399261 487626476 /nfs/dbraw/zinc/62/64/76/487626476.db2.gz NYGGRWHONFJLEF-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335399261 487626484 /nfs/dbraw/zinc/62/64/84/487626484.db2.gz NYGGRWHONFJLEF-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO COC1CCN(C(C)(C)CNC(N)=[NH2+])CC1 ZINC000341599356 174027634 /nfs/dbraw/zinc/02/76/34/174027634.db2.gz PPUWPHSNOGTHBH-UHFFFAOYSA-N 1 3 228.340 0.359 20 0 BCADHO COCCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361893636 174263318 /nfs/dbraw/zinc/26/33/18/174263318.db2.gz YAXOWUUKCLUIDJ-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO COCCN(C)C/C=C/C[N@H+](C)CCOC ZINC000122934923 174275580 /nfs/dbraw/zinc/27/55/80/174275580.db2.gz CMUHZLBZPAJTDB-AATRIKPKSA-N 1 3 230.352 0.699 20 0 BCADHO COCCN(C)C/C=C/C[N@@H+](C)CCOC ZINC000122934923 174275582 /nfs/dbraw/zinc/27/55/82/174275582.db2.gz CMUHZLBZPAJTDB-AATRIKPKSA-N 1 3 230.352 0.699 20 0 BCADHO COCCNCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237233211 174331381 /nfs/dbraw/zinc/33/13/81/174331381.db2.gz VINOTVKJMCVKSS-LBPRGKRZSA-N 1 3 245.367 0.102 20 0 BCADHO COCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000036907476 174339191 /nfs/dbraw/zinc/33/91/91/174339191.db2.gz GXBHJFXQMYMVDO-OUAUKWLOSA-N 1 3 200.326 0.951 20 0 BCADHO COCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000036907476 174339193 /nfs/dbraw/zinc/33/91/93/174339193.db2.gz GXBHJFXQMYMVDO-OUAUKWLOSA-N 1 3 200.326 0.951 20 0 BCADHO COCCOCCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070026693 174353943 /nfs/dbraw/zinc/35/39/43/174353943.db2.gz VPBQYZYYLYLHDU-VXGBXAGGSA-N 1 3 230.352 0.709 20 0 BCADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)CN)C1 ZINC000237399869 176097729 /nfs/dbraw/zinc/09/77/29/176097729.db2.gz AMGRDQSTTCMEAS-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CN)C1 ZINC000237399869 176097730 /nfs/dbraw/zinc/09/77/30/176097730.db2.gz AMGRDQSTTCMEAS-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000237540205 176097886 /nfs/dbraw/zinc/09/78/86/176097886.db2.gz RJWZCSDWSCFEJG-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCCN(C)C2CC2)C1 ZINC000127158832 176187484 /nfs/dbraw/zinc/18/74/84/176187484.db2.gz SJBLJAHBVNDXMC-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CCN1 ZINC000131880485 176257249 /nfs/dbraw/zinc/25/72/49/176257249.db2.gz KPBCFWZXIZCSBO-DGCLKSJQSA-N 1 3 247.342 0.377 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(C)C1 ZINC000336757932 176271586 /nfs/dbraw/zinc/27/15/86/176271586.db2.gz ZIEMXAUMDDANJW-GMTAPVOTSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(C)C1 ZINC000336757932 176271589 /nfs/dbraw/zinc/27/15/89/176271589.db2.gz ZIEMXAUMDDANJW-GMTAPVOTSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)N(C)C ZINC000362498295 176271760 /nfs/dbraw/zinc/27/17/60/176271760.db2.gz LLIMYRNIYVSNCS-MXWKQRLJSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)N(C)C ZINC000362498295 176271762 /nfs/dbraw/zinc/27/17/62/176271762.db2.gz LLIMYRNIYVSNCS-MXWKQRLJSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COCCO1 ZINC000038060878 176278639 /nfs/dbraw/zinc/27/86/39/176278639.db2.gz KMEHOFPZBWQXGE-LPWJVIDDSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COCCO1 ZINC000038060878 176278640 /nfs/dbraw/zinc/27/86/40/176278640.db2.gz KMEHOFPZBWQXGE-LPWJVIDDSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000094648347 176457852 /nfs/dbraw/zinc/45/78/52/176457852.db2.gz FWOAMLOFZJKVCD-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000019512864 177074616 /nfs/dbraw/zinc/07/46/16/177074616.db2.gz QNCTYLPLEIVUAZ-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000019512864 177074617 /nfs/dbraw/zinc/07/46/17/177074617.db2.gz QNCTYLPLEIVUAZ-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC2CCN(C)CC2)C1 ZINC000126109535 177175223 /nfs/dbraw/zinc/17/52/23/177175223.db2.gz NLMWXUASJUETSV-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903863 177175801 /nfs/dbraw/zinc/17/58/01/177175801.db2.gz YZOBHOSLXBPJLL-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCCC[NH3+] ZINC000357805435 177199431 /nfs/dbraw/zinc/19/94/31/177199431.db2.gz XQKFTPQIVAPHGT-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C1CC[NH2+]CC1 ZINC000083354158 177213955 /nfs/dbraw/zinc/21/39/55/177213955.db2.gz TWCLZGCIMOJPOS-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CCCC1 ZINC000362390423 177234681 /nfs/dbraw/zinc/23/46/81/177234681.db2.gz SMNAERXXTSQEFF-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CCCC1 ZINC000362390423 177234682 /nfs/dbraw/zinc/23/46/82/177234682.db2.gz SMNAERXXTSQEFF-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335605721 177237699 /nfs/dbraw/zinc/23/76/99/177237699.db2.gz FPTCYSPKGIFOKC-WCQYABFASA-N 1 3 223.364 0.788 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000331821202 177242667 /nfs/dbraw/zinc/24/26/67/177242667.db2.gz ZGUDSWHAQZDEOW-IQJOONFLSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2C)CC[NH2+]1 ZINC000235691418 177308764 /nfs/dbraw/zinc/30/87/64/177308764.db2.gz UXSQQRRNTQTCGT-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccc(C(N)=O)cc1 ZINC000131745224 177324930 /nfs/dbraw/zinc/32/49/30/177324930.db2.gz YEHVNTFGBDBODS-JQWIXIFHSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCn1cccn1 ZINC000122318045 177324960 /nfs/dbraw/zinc/32/49/60/177324960.db2.gz DQHHNKDWTQQFOA-QWRGUYRKSA-N 1 3 208.309 0.552 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N)CC[N@@H+]1C ZINC000132923660 177328674 /nfs/dbraw/zinc/32/86/74/177328674.db2.gz GWTDEJXCYCNVQR-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N)CC[N@H+]1C ZINC000132923660 177328675 /nfs/dbraw/zinc/32/86/75/177328675.db2.gz GWTDEJXCYCNVQR-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCn1cccn1 ZINC000122317666 177361257 /nfs/dbraw/zinc/36/12/57/177361257.db2.gz DQHHNKDWTQQFOA-WDEREUQCSA-N 1 3 208.309 0.552 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1C ZINC000237582793 177363008 /nfs/dbraw/zinc/36/30/08/177363008.db2.gz QJGNEKICBIXYTA-VHSXEESVSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1C ZINC000237582793 177363010 /nfs/dbraw/zinc/36/30/10/177363010.db2.gz QJGNEKICBIXYTA-VHSXEESVSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237443472 177363286 /nfs/dbraw/zinc/36/32/86/177363286.db2.gz BUSXAUUSPSUJSC-IVZWLZJFSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000237443472 177363287 /nfs/dbraw/zinc/36/32/87/177363287.db2.gz BUSXAUUSPSUJSC-IVZWLZJFSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H]1C[C@H](NCCN2CCC2)CC[N@@H+]1C ZINC000309098291 177369155 /nfs/dbraw/zinc/36/91/55/177369155.db2.gz DOYRWRDJQGZENF-NWDGAFQWSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H]1C[C@H](NCCN2CCC2)CC[N@H+]1C ZINC000309098291 177369157 /nfs/dbraw/zinc/36/91/57/177369157.db2.gz DOYRWRDJQGZENF-NWDGAFQWSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N(C)C ZINC000037751910 177369527 /nfs/dbraw/zinc/36/95/27/177369527.db2.gz KDNWHEHKQPFKGQ-WOPDTQHZSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC(=O)N(C)C ZINC000037751910 177369529 /nfs/dbraw/zinc/36/95/29/177369529.db2.gz KDNWHEHKQPFKGQ-WOPDTQHZSA-N 1 3 241.379 0.783 20 0 BCADHO CN(C(=O)C1(N)CCCC1)[C@H]1CC[NH2+]C1 ZINC000178409434 487641200 /nfs/dbraw/zinc/64/12/00/487641200.db2.gz UQKBZMICGFXJJN-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO C[NH2+]CCCC(=O)N1CCNCC1(C)C ZINC000393769181 487644123 /nfs/dbraw/zinc/64/41/23/487644123.db2.gz ISJAXCFDMZYYMY-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO NC1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000565659860 322933441 /nfs/dbraw/zinc/93/34/41/322933441.db2.gz PZRLBHIIHRTHBS-MGCOHNPYSA-N 1 3 225.336 0.359 20 0 BCADHO CN1CC[C@H]2CN(C(=O)/C=C/C[NH+](C)C)C[C@H]21 ZINC000493824467 226255806 /nfs/dbraw/zinc/25/58/06/226255806.db2.gz OQURKDODUXEWPJ-RUULKOMLSA-N 1 3 237.347 0.267 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCCCC[C@@H]1CO ZINC000383660673 487658905 /nfs/dbraw/zinc/65/89/05/487658905.db2.gz LNBVKDSQKRLDGS-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCCCC[C@@H]1CO ZINC000383660673 487658908 /nfs/dbraw/zinc/65/89/08/487658908.db2.gz LNBVKDSQKRLDGS-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595259 487664718 /nfs/dbraw/zinc/66/47/18/487664718.db2.gz ZFTHYVAMAPJXOR-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595259 487664722 /nfs/dbraw/zinc/66/47/22/487664722.db2.gz ZFTHYVAMAPJXOR-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186718676 487675087 /nfs/dbraw/zinc/67/50/87/487675087.db2.gz WNMHTWXDLAOTFN-DCAQKATOSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000653112644 487687679 /nfs/dbraw/zinc/68/76/79/487687679.db2.gz FJNCPJBGYXMZIX-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CN1CCC[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000669402965 487704186 /nfs/dbraw/zinc/70/41/86/487704186.db2.gz CBAXWCNDVXTAFB-GHMZBOCLSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000669403086 487705075 /nfs/dbraw/zinc/70/50/75/487705075.db2.gz IOYWLTYRCUBERF-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403339 487705269 /nfs/dbraw/zinc/70/52/69/487705269.db2.gz VZEUACGBKRUULL-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC[C@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000669403142 487705836 /nfs/dbraw/zinc/70/58/36/487705836.db2.gz LNNXRIFHCDYQRB-QWRGUYRKSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000669403335 487706260 /nfs/dbraw/zinc/70/62/60/487706260.db2.gz VULWCJYQIAMKDV-GHMZBOCLSA-N 1 3 240.351 0.213 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662824990 487723385 /nfs/dbraw/zinc/72/33/85/487723385.db2.gz XLKBFRNUQSQUNK-NXEZZACHSA-N 1 3 239.363 0.903 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000249979931 487726531 /nfs/dbraw/zinc/72/65/31/487726531.db2.gz QZJJEUNFTYMBBX-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226394854 487731016 /nfs/dbraw/zinc/73/10/16/487731016.db2.gz OMAQPIRELJUROM-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000082772399 487731351 /nfs/dbraw/zinc/73/13/51/487731351.db2.gz CFMAJKZJIARGCS-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC(C)(C)[NH3+] ZINC000082772437 487731722 /nfs/dbraw/zinc/73/17/22/487731722.db2.gz CHLXLWGDYRBXKA-UHFFFAOYSA-N 1 3 229.368 0.914 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000226403947 487734795 /nfs/dbraw/zinc/73/47/95/487734795.db2.gz SIHOOBDCXLALAL-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCCCC1 ZINC000049575505 487751798 /nfs/dbraw/zinc/75/17/98/487751798.db2.gz FKZYZJWKHODSQO-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357412278 487766863 /nfs/dbraw/zinc/76/68/63/487766863.db2.gz KUMCHVKIFFQNRC-NWDGAFQWSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357412278 487766867 /nfs/dbraw/zinc/76/68/67/487766867.db2.gz KUMCHVKIFFQNRC-NWDGAFQWSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@@H](CN)C(F)(F)F ZINC000655505231 487770425 /nfs/dbraw/zinc/77/04/25/487770425.db2.gz TVCIJNPRTMZJHO-YFKPBYRVSA-N 1 3 227.230 0.120 20 0 BCADHO CN(CCC[NH3+])CC(C)(C)CN1CCOCC1 ZINC000414704089 487819484 /nfs/dbraw/zinc/81/94/84/487819484.db2.gz KFJWLKCGZGTVRY-UHFFFAOYSA-N 1 3 243.395 0.625 20 0 BCADHO C[N@H+](CCCN)CC(C)(C)CN1CCOCC1 ZINC000414704089 487819487 /nfs/dbraw/zinc/81/94/87/487819487.db2.gz KFJWLKCGZGTVRY-UHFFFAOYSA-N 1 3 243.395 0.625 20 0 BCADHO C[N@@H+](CCCN)CC(C)(C)CN1CCOCC1 ZINC000414704089 487819492 /nfs/dbraw/zinc/81/94/92/487819492.db2.gz KFJWLKCGZGTVRY-UHFFFAOYSA-N 1 3 243.395 0.625 20 0 BCADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCN ZINC000414745106 487821676 /nfs/dbraw/zinc/82/16/76/487821676.db2.gz PBALKYKNSPEJLI-MXWKQRLJSA-N 1 3 200.326 0.817 20 0 BCADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCN ZINC000414745106 487821682 /nfs/dbraw/zinc/82/16/82/487821682.db2.gz PBALKYKNSPEJLI-MXWKQRLJSA-N 1 3 200.326 0.817 20 0 BCADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCN ZINC000414745105 487822220 /nfs/dbraw/zinc/82/22/20/487822220.db2.gz PBALKYKNSPEJLI-GMTAPVOTSA-N 1 3 200.326 0.817 20 0 BCADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCN ZINC000414745105 487822224 /nfs/dbraw/zinc/82/22/24/487822224.db2.gz PBALKYKNSPEJLI-GMTAPVOTSA-N 1 3 200.326 0.817 20 0 BCADHO [NH3+]CCCNC[C@H]1NCCc2ccccc21 ZINC000414959132 487831475 /nfs/dbraw/zinc/83/14/75/487831475.db2.gz RVQGFVBCUSFJON-CYBMUJFWSA-N 1 3 219.332 0.812 20 0 BCADHO [NH3+]CCCNC[C@@H]1NCCc2ccccc21 ZINC000414959135 487831491 /nfs/dbraw/zinc/83/14/91/487831491.db2.gz RVQGFVBCUSFJON-ZDUSSCGKSA-N 1 3 219.332 0.812 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000373091163 487858496 /nfs/dbraw/zinc/85/84/96/487858496.db2.gz VDYJAINZTACYKM-JTQLQIEISA-N 1 3 247.342 0.336 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681789166 487862293 /nfs/dbraw/zinc/86/22/93/487862293.db2.gz LAQCULOMASHCII-VXGBXAGGSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224907657 487869004 /nfs/dbraw/zinc/86/90/04/487869004.db2.gz YHRGXKDFFOLXKL-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224907657 487869009 /nfs/dbraw/zinc/86/90/09/487869009.db2.gz YHRGXKDFFOLXKL-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@](C)(CN)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000569361473 322964200 /nfs/dbraw/zinc/96/42/00/322964200.db2.gz BRWWWUSJBMJUFM-GZMMTYOYSA-N 1 3 226.324 0.846 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCCCCC1 ZINC000092135541 487898692 /nfs/dbraw/zinc/89/86/92/487898692.db2.gz GTBFJFYPIUFMAF-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CO[C@@]1(CNCCC[NH+](C)C)CCOC1 ZINC000125778853 487927351 /nfs/dbraw/zinc/92/73/51/487927351.db2.gz QIQOVIHDPIOJMZ-LLVKDONJSA-N 1 3 216.325 0.333 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659556367 487939152 /nfs/dbraw/zinc/93/91/52/487939152.db2.gz RWHALNAKXNFBFC-UTINFBMNSA-N 1 3 246.330 0.193 20 0 BCADHO C[C@H](CNC(=O)CC[NH2+]C1CC1)N(C)C ZINC000038089341 487947715 /nfs/dbraw/zinc/94/77/15/487947715.db2.gz XVJQHSLHUSCJPH-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188766624 487949878 /nfs/dbraw/zinc/94/98/78/487949878.db2.gz OXNCQXRNPDGVLF-ZDUSSCGKSA-N 1 3 247.342 0.889 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000564941402 322976095 /nfs/dbraw/zinc/97/60/95/322976095.db2.gz RMJRMKBNAQIQHK-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+]Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000565000056 322993984 /nfs/dbraw/zinc/99/39/84/322993984.db2.gz IPZNLEQNJDOHRJ-CYBMUJFWSA-N 1 3 247.342 0.904 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449606284 323000690 /nfs/dbraw/zinc/00/06/90/323000690.db2.gz YEIRQCOGTXOHRF-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[NH3+] ZINC000566853724 323019203 /nfs/dbraw/zinc/01/92/03/323019203.db2.gz RYWYSAVSDYUVJJ-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCCN1 ZINC000562805302 323031015 /nfs/dbraw/zinc/03/10/15/323031015.db2.gz GNIRDYLQJFCETJ-NSHDSACASA-N 1 3 227.352 0.633 20 0 BCADHO C[NH2+]CCC(=O)N1CCCC[C@H]1CN(C)C ZINC000404940973 323032001 /nfs/dbraw/zinc/03/20/01/323032001.db2.gz DYMXEEHVLRAGMS-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO NC(C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000569843580 323042701 /nfs/dbraw/zinc/04/27/01/323042701.db2.gz GVCCNUUKRJZGME-DSYKOEDSSA-N 1 3 239.241 0.120 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000569972488 323046115 /nfs/dbraw/zinc/04/61/15/323046115.db2.gz BJUZEVJBEYFOLR-LLVKDONJSA-N 1 3 219.288 0.706 20 0 BCADHO C[C@H]1CN(CCN[C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046096 323048385 /nfs/dbraw/zinc/04/83/85/323048385.db2.gz QTNKTEZTUJOPAG-AAEUAGOBSA-N 1 3 241.379 0.424 20 0 BCADHO [NH3+]CCCNC(=O)C12CCCN1CCC2 ZINC000570330371 323056525 /nfs/dbraw/zinc/05/65/25/323056525.db2.gz PGNDETKRACRUPB-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO CN1CCNC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000570507426 323061342 /nfs/dbraw/zinc/06/13/42/323061342.db2.gz BKVDSSARRSILCM-AGIUHOORSA-N 1 3 240.395 0.140 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000570738709 323068848 /nfs/dbraw/zinc/06/88/48/323068848.db2.gz KYTMKUSYBVSMBA-UWVGGRQHSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@H]1CCN(CC(=O)NCC[NH+](C)C)C1 ZINC000570820708 323071575 /nfs/dbraw/zinc/07/15/75/323071575.db2.gz UWFCPRARMPBWCR-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000570840800 323072313 /nfs/dbraw/zinc/07/23/13/323072313.db2.gz IQAKMCPLHGMOEH-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)([NH3+])CNCCCOC[C@@H]1CCCO1 ZINC000309420353 323082100 /nfs/dbraw/zinc/08/21/00/323082100.db2.gz WPUYAZJGXQXYAX-NSHDSACASA-N 1 3 230.352 0.899 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971997 323088818 /nfs/dbraw/zinc/08/88/18/323088818.db2.gz AYRFDIJGXXTTEH-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000563100449 323092488 /nfs/dbraw/zinc/09/24/88/323092488.db2.gz RVEKXLZPFMYDOY-MWLCHTKSSA-N 1 3 221.304 0.397 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000563169275 323099696 /nfs/dbraw/zinc/09/96/96/323099696.db2.gz GJRLBAGUQXINQP-YIZRAAEISA-N 1 3 201.314 0.212 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000563170487 323099943 /nfs/dbraw/zinc/09/99/43/323099943.db2.gz SDJRZBODHJDSPZ-ZCFIWIBFSA-N 1 3 223.267 0.213 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563200963 323101426 /nfs/dbraw/zinc/10/14/26/323101426.db2.gz CTLQCRFRBCRIJB-TUAOUCFPSA-N 1 3 239.363 0.680 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NCCN1CC[C@H](C)C1 ZINC000563209036 323101971 /nfs/dbraw/zinc/10/19/71/323101971.db2.gz LBOZZGDERLQWAJ-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](NC[C@@H](O)C[N@H+](C)CC)[C@H]1CCCO1 ZINC000571058034 323106197 /nfs/dbraw/zinc/10/61/97/323106197.db2.gz KPGKRGGBUKXLOR-FRRDWIJNSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@H](NC[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000571058034 323106198 /nfs/dbraw/zinc/10/61/98/323106198.db2.gz KPGKRGGBUKXLOR-FRRDWIJNSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624378 323109327 /nfs/dbraw/zinc/10/93/27/323109327.db2.gz QNVKRXAFSLDOOI-NWDGAFQWSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624378 323109328 /nfs/dbraw/zinc/10/93/28/323109328.db2.gz QNVKRXAFSLDOOI-NWDGAFQWSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)NCC(=O)NCC1CC[NH2+]CC1 ZINC000563450216 323126385 /nfs/dbraw/zinc/12/63/85/323126385.db2.gz AWQWCWNZZVMFLM-UHFFFAOYSA-N 1 3 213.325 0.100 20 0 BCADHO C[NH2+]CCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000563583135 323130473 /nfs/dbraw/zinc/13/04/73/323130473.db2.gz RHSQAHNWUIRROZ-ZDUSSCGKSA-N 1 3 249.358 0.672 20 0 BCADHO C[C@@]1(C(=O)N[C@H]2CNCCC2(F)F)CCC[NH2+]1 ZINC000563588302 323130714 /nfs/dbraw/zinc/13/07/14/323130714.db2.gz AATZYBZCDSLIRK-WPRPVWTQSA-N 1 3 247.289 0.242 20 0 BCADHO C[N@H+](CCOC[C@@H]1CCCO1)C1CCNCC1 ZINC000563622592 323132016 /nfs/dbraw/zinc/13/20/16/323132016.db2.gz JZGBFBWYLVWRQH-ZDUSSCGKSA-N 1 3 242.363 0.866 20 0 BCADHO C[N@@H+](CCOC[C@@H]1CCCO1)C1CCNCC1 ZINC000563622592 323132017 /nfs/dbraw/zinc/13/20/17/323132017.db2.gz JZGBFBWYLVWRQH-ZDUSSCGKSA-N 1 3 242.363 0.866 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635888 323132836 /nfs/dbraw/zinc/13/28/36/323132836.db2.gz MCLLDIDUOPKOKU-VXGBXAGGSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635888 323132837 /nfs/dbraw/zinc/13/28/37/323132837.db2.gz MCLLDIDUOPKOKU-VXGBXAGGSA-N 1 3 237.347 0.420 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000571080737 323134986 /nfs/dbraw/zinc/13/49/86/323134986.db2.gz CTODWBIGLVNCJJ-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000571082037 323135069 /nfs/dbraw/zinc/13/50/69/323135069.db2.gz LBQRRBMBGSVKRU-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000571165686 323137248 /nfs/dbraw/zinc/13/72/48/323137248.db2.gz HMLCDPJXFBMRHL-RNFRBKRXSA-N 1 3 237.294 0.459 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)c1ccc2c(c1)CNC2 ZINC000571282309 323140075 /nfs/dbraw/zinc/14/00/75/323140075.db2.gz IRAFZZWJMWSJIO-JTQLQIEISA-N 1 3 247.342 0.875 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C ZINC000571401967 323143635 /nfs/dbraw/zinc/14/36/35/323143635.db2.gz CMHDVRFFDQYHHM-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CCC(=O)N1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000571539637 323147629 /nfs/dbraw/zinc/14/76/29/323147629.db2.gz ZAYKYKOXNKMLGY-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)C1CCC1 ZINC000399095545 323196882 /nfs/dbraw/zinc/19/68/82/323196882.db2.gz VMBCXCXRJAUTND-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2)CCN1C ZINC000530222437 323218367 /nfs/dbraw/zinc/21/83/67/323218367.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2COCCN2)CC[N@@H+]1C ZINC000530222437 323218368 /nfs/dbraw/zinc/21/83/68/323218368.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2COCCN2)CC[N@H+]1C ZINC000530222437 323218370 /nfs/dbraw/zinc/21/83/70/323218370.db2.gz NDXCEAYPBHDMNI-IJLUTSLNSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2)CCN1C ZINC000530222438 323218508 /nfs/dbraw/zinc/21/85/08/323218508.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2COCCN2)CC[N@@H+]1C ZINC000530222438 323218510 /nfs/dbraw/zinc/21/85/10/323218510.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2COCCN2)CC[N@H+]1C ZINC000530222438 323218513 /nfs/dbraw/zinc/21/85/13/323218513.db2.gz NDXCEAYPBHDMNI-UTUOFQBUSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1COCCN1)c1cnccc1N ZINC000530226284 323219362 /nfs/dbraw/zinc/21/93/62/323219362.db2.gz QXPXYBYAGDNMSH-VHSXEESVSA-N 1 3 236.319 0.133 20 0 BCADHO C[C@@H]([NH2+]C[C@H]1COCCN1)c1cnccc1N ZINC000530226287 323219592 /nfs/dbraw/zinc/21/95/92/323219592.db2.gz QXPXYBYAGDNMSH-ZJUUUORDSA-N 1 3 236.319 0.133 20 0 BCADHO CC[C@@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000104533130 323275909 /nfs/dbraw/zinc/27/59/09/323275909.db2.gz IVABTLGVBZTLET-GFCCVEGCSA-N 1 3 243.395 0.984 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)C(C)(C)N)CC1 ZINC000309378918 323349246 /nfs/dbraw/zinc/34/92/46/323349246.db2.gz DAONRQACXGZRSJ-QMMMGPOBSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121318408 324011619 /nfs/dbraw/zinc/01/16/19/324011619.db2.gz KZBUNNCWHGWCDJ-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000121318408 324011622 /nfs/dbraw/zinc/01/16/22/324011622.db2.gz KZBUNNCWHGWCDJ-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000158550628 487965741 /nfs/dbraw/zinc/96/57/41/487965741.db2.gz NHOBNWLZICSKHF-HBNTYKKESA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@H](C(=O)NCC[NH+](C)C)N(C)C ZINC000131279926 325133734 /nfs/dbraw/zinc/13/37/34/325133734.db2.gz RBJZZCPWWBLCQW-SECBINFHSA-N 1 3 201.314 0.004 20 0 BCADHO CC[C@H](C(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000131472807 325155174 /nfs/dbraw/zinc/15/51/74/325155174.db2.gz PVCNJQXQXMUPHT-LLVKDONJSA-N 1 3 229.368 0.783 20 0 BCADHO CC[C@H](C(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000131472807 325155176 /nfs/dbraw/zinc/15/51/76/325155176.db2.gz PVCNJQXQXMUPHT-LLVKDONJSA-N 1 3 229.368 0.783 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000131912058 325190526 /nfs/dbraw/zinc/19/05/26/325190526.db2.gz KHGOLQZEOGPING-DCAQKATOSA-N 1 3 227.352 0.700 20 0 BCADHO CC[N@H+](CCNC(=O)NCCN(C)C)C1CC1 ZINC000133583648 325302146 /nfs/dbraw/zinc/30/21/46/325302146.db2.gz VBDDVBCYNCXYSQ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[N@@H+](CCNC(=O)NCCN(C)C)C1CC1 ZINC000133583648 325302147 /nfs/dbraw/zinc/30/21/47/325302147.db2.gz VBDDVBCYNCXYSQ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000564936136 325829000 /nfs/dbraw/zinc/82/90/00/325829000.db2.gz DHMGIFUAUAQMBZ-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000566184539 326004152 /nfs/dbraw/zinc/00/41/52/326004152.db2.gz KLDBOSSGRRUEQZ-ZCFIWIBFSA-N 1 3 241.257 0.380 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)C(N)C(F)(F)F ZINC000566184537 326008050 /nfs/dbraw/zinc/00/80/50/326008050.db2.gz KLDBOSSGRRUEQZ-LURJTMIESA-N 1 3 241.257 0.380 20 0 BCADHO CC1(CNC(=O)[C@H](N)C2CCC2)CC[NH2+]CC1 ZINC000566206892 326013112 /nfs/dbraw/zinc/01/31/12/326013112.db2.gz BGQFKLUXIXFXDA-LLVKDONJSA-N 1 3 239.363 0.620 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000566244581 326022959 /nfs/dbraw/zinc/02/29/59/326022959.db2.gz YZHLWYIYQWFAHU-HTQZYQBOSA-N 1 3 235.278 0.179 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566252115 326024758 /nfs/dbraw/zinc/02/47/58/326024758.db2.gz GQHVVPSWWVCJHG-SDDRHHMPSA-N 1 3 237.347 0.196 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000566296314 326030275 /nfs/dbraw/zinc/03/02/75/326030275.db2.gz FJXUWACBEGVDDK-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000566296314 326030274 /nfs/dbraw/zinc/03/02/74/326030274.db2.gz FJXUWACBEGVDDK-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCn1cncn1 ZINC000566302779 326031161 /nfs/dbraw/zinc/03/11/61/326031161.db2.gz XPFXQLIUJPBPAD-VIFPVBQESA-N 1 3 211.313 0.241 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739978 326079053 /nfs/dbraw/zinc/07/90/53/326079053.db2.gz LASWGRCEEFISKT-SVDPJWKOSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000566913066 326093511 /nfs/dbraw/zinc/09/35/11/326093511.db2.gz PKVSANCNXFNQLS-HOSYDEDBSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567108374 326117108 /nfs/dbraw/zinc/11/71/08/326117108.db2.gz KNOGCDBRFPOZQI-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO CC[NH2+]CCCN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000567159324 326125545 /nfs/dbraw/zinc/12/55/45/326125545.db2.gz GBPQUCCNUZKTFK-OLZOCXBDSA-N 1 3 241.379 0.343 20 0 BCADHO NC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000567179800 326130781 /nfs/dbraw/zinc/13/07/81/326130781.db2.gz VDPFFPPPJLMKEF-XWLWVQCSSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)C1(N)CCC1 ZINC000567268507 326153621 /nfs/dbraw/zinc/15/36/21/326153621.db2.gz CTVNOTFZBKAHMY-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000309784628 326163166 /nfs/dbraw/zinc/16/31/66/326163166.db2.gz NSFLIWUGFWMTEB-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000155236253 326189954 /nfs/dbraw/zinc/18/99/54/326189954.db2.gz AOYPCACEJJJNCL-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000567589741 326224858 /nfs/dbraw/zinc/22/48/58/326224858.db2.gz CEFKUWPQATZCCS-UWVGGRQHSA-N 1 3 211.309 0.077 20 0 BCADHO Cn1cnc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000313248519 326260179 /nfs/dbraw/zinc/26/01/79/326260179.db2.gz BRKBAUUIBAZTFJ-GHMZBOCLSA-N 1 3 222.336 0.822 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@H]2CCCC[C@H]2O)CCCO1 ZINC000313349199 326264150 /nfs/dbraw/zinc/26/41/50/326264150.db2.gz LLPAAIZVDDVYRB-JHJVBQTASA-N 1 3 242.363 0.587 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000567824729 326264491 /nfs/dbraw/zinc/26/44/91/326264491.db2.gz BOOYGPSAKDMQHZ-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000567831047 326265702 /nfs/dbraw/zinc/26/57/02/326265702.db2.gz ISQQRBQZWDHNBR-ZMLRMANQSA-N 1 3 239.363 0.700 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000567833942 326266307 /nfs/dbraw/zinc/26/63/07/326266307.db2.gz FUZZTWIAOODJBG-GFCCVEGCSA-N 1 3 231.299 0.463 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000567839291 326267759 /nfs/dbraw/zinc/26/77/59/326267759.db2.gz GGOHWFFKKRKYNQ-CMPLNLGQSA-N 1 3 227.352 0.476 20 0 BCADHO [NH3+]CC[C@H](NC(=O)[C@@H]1CCCCN1)C(F)F ZINC000567912242 326282298 /nfs/dbraw/zinc/28/22/98/326282298.db2.gz KHNJZQHQGOFIHU-YUMQZZPRSA-N 1 3 235.278 0.227 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567913610 326282344 /nfs/dbraw/zinc/28/23/44/326282344.db2.gz LISWLRGDOLUPJL-RITPCOANSA-N 1 3 227.230 0.120 20 0 BCADHO C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)[C@@H](C)CN1 ZINC000568230981 326328965 /nfs/dbraw/zinc/32/89/65/326328965.db2.gz IZBRUTSXNSYZBK-ZJUUUORDSA-N 1 3 225.336 0.337 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)CNC(C)C ZINC000568286683 326341194 /nfs/dbraw/zinc/34/11/94/326341194.db2.gz BWSZRTBKAGEYLR-SECBINFHSA-N 1 3 201.314 0.099 20 0 BCADHO CCN1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)CC1=O ZINC000568499517 326359665 /nfs/dbraw/zinc/35/96/65/326359665.db2.gz KKJXHBNNHPUOGS-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H]1CN(C)CCN1C[C@@H](O)C[N@H+](C)CC ZINC000568527091 326363292 /nfs/dbraw/zinc/36/32/92/326363292.db2.gz KWAVDRFAYPRMIK-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO CC[C@H]1CN(C)CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000568527091 326363293 /nfs/dbraw/zinc/36/32/93/326363293.db2.gz KWAVDRFAYPRMIK-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568626405 326368592 /nfs/dbraw/zinc/36/85/92/326368592.db2.gz DWIJEAHHIXUNPJ-GWCFXTLKSA-N 1 3 247.342 0.584 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000568747762 326373958 /nfs/dbraw/zinc/37/39/58/326373958.db2.gz MGPLAEDULRTXIL-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO CNCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000568864834 326379909 /nfs/dbraw/zinc/37/99/09/326379909.db2.gz RGLIONQFJOTISS-GFCCVEGCSA-N 1 3 235.331 0.802 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000569105956 326390442 /nfs/dbraw/zinc/39/04/42/326390442.db2.gz DFWHCWPBYBRLAT-MMWGEVLESA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569117295 326390913 /nfs/dbraw/zinc/39/09/13/326390913.db2.gz FFAHTYCPGVKETN-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000569124519 326391998 /nfs/dbraw/zinc/39/19/98/326391998.db2.gz UUAYCROXSKJJNW-MXWKQRLJSA-N 1 3 229.368 0.815 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)NCCN(C)C ZINC000573190406 326434107 /nfs/dbraw/zinc/43/41/07/326434107.db2.gz UNFQQPDITYVLNR-UHFFFAOYSA-N 1 3 230.356 0.235 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC[NH2+]1 ZINC000235697163 488006155 /nfs/dbraw/zinc/00/61/55/488006155.db2.gz APNKWUYXRZBRED-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000229963139 488015391 /nfs/dbraw/zinc/01/53/91/488015391.db2.gz PMLPREZNXTZJHF-GMTAPVOTSA-N 1 3 200.326 0.864 20 0 BCADHO C[C@@H](NCc1nc2c(s1)CNCC2)[C@H](C)[NH3+] ZINC000663500021 488049475 /nfs/dbraw/zinc/04/94/75/488049475.db2.gz YDHRHLUIYXKKBA-JGVFFNPUSA-N 1 3 240.376 0.614 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084420006 488051377 /nfs/dbraw/zinc/05/13/77/488051377.db2.gz JXXAFGAEMKFSPE-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CC1(C)C[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892476 488057323 /nfs/dbraw/zinc/05/73/23/488057323.db2.gz QXSNIULZLOPVJB-AXFHLTTASA-N 1 3 210.321 0.705 20 0 BCADHO CN(C)CCOCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396913895 488064809 /nfs/dbraw/zinc/06/48/09/488064809.db2.gz FISOSVVDGOTGDI-LLVKDONJSA-N 1 3 230.352 0.722 20 0 BCADHO CN1CCC[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000044538848 488071021 /nfs/dbraw/zinc/07/10/21/488071021.db2.gz BYXRZXVFZCJYNV-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236649385 488079846 /nfs/dbraw/zinc/07/98/46/488079846.db2.gz YTBXJTVLYQLWQO-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000236685663 488080451 /nfs/dbraw/zinc/08/04/51/488080451.db2.gz YQTZAQPAROLRFM-JTQLQIEISA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000236862819 488093212 /nfs/dbraw/zinc/09/32/12/488093212.db2.gz ILQMUVYMCQHWCY-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000236862819 488093209 /nfs/dbraw/zinc/09/32/09/488093209.db2.gz ILQMUVYMCQHWCY-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000378674085 488100307 /nfs/dbraw/zinc/10/03/07/488100307.db2.gz NDDCLRNVKIQEFN-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)CC(C)(C)[NH3+] ZINC000237085153 488101152 /nfs/dbraw/zinc/10/11/52/488101152.db2.gz NIDZXYRSIWLCLF-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1NCCCC1(C)C ZINC000669509142 488108089 /nfs/dbraw/zinc/10/80/89/488108089.db2.gz NTKPKLBMUKEQEA-LLVKDONJSA-N 1 3 241.379 0.880 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000669509606 488109899 /nfs/dbraw/zinc/10/98/99/488109899.db2.gz HHTHMJYGHGNZCL-WOPDTQHZSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H]1CCCN(C(=O)CNC2CC2)[C@H]1C[NH3+] ZINC000669511336 488114181 /nfs/dbraw/zinc/11/41/81/488114181.db2.gz KNUMQJSLCQIBGY-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CCCN(C(=O)CNC2CC2)[C@@H]1C[NH3+] ZINC000669511337 488114422 /nfs/dbraw/zinc/11/44/22/488114422.db2.gz KNUMQJSLCQIBGY-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CCCN(C(=O)CNC2CC2)[C@@H]1C[NH3+] ZINC000669511335 488114441 /nfs/dbraw/zinc/11/44/41/488114441.db2.gz KNUMQJSLCQIBGY-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CCCC[NH3+])NCc1cn(C)nn1 ZINC000389831271 488116486 /nfs/dbraw/zinc/11/64/86/488116486.db2.gz GZUVEVHVRNEULY-SECBINFHSA-N 1 3 211.313 0.422 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCC1(C)C ZINC000669512434 488118566 /nfs/dbraw/zinc/11/85/66/488118566.db2.gz VBEORDCFWDLSNJ-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000669512407 488118750 /nfs/dbraw/zinc/11/87/50/488118750.db2.gz PPPOOHYVQVCTFT-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCC1(C)C ZINC000669512455 488118776 /nfs/dbraw/zinc/11/87/76/488118776.db2.gz XWFYYBCSGNQKPA-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000669512389 488118789 /nfs/dbraw/zinc/11/87/89/488118789.db2.gz NFJDRGPEXXHLMN-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669513312 488120485 /nfs/dbraw/zinc/12/04/85/488120485.db2.gz YNBWVSPRYXBFAZ-DCAQKATOSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H](C)[C@@H](C)[NH3+])CCN1 ZINC000669514697 488124264 /nfs/dbraw/zinc/12/42/64/488124264.db2.gz ADNCHCLYEQZWFQ-GMTAPVOTSA-N 1 3 227.352 0.426 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514879 488124525 /nfs/dbraw/zinc/12/45/25/488124525.db2.gz OPOHGLUQIIXETB-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)[NH3+])[C@H](N)c1ccccc1 ZINC000669517033 488127374 /nfs/dbraw/zinc/12/73/74/488127374.db2.gz SHWFKCPBHYDZIM-UMNHJUIQSA-N 1 3 235.331 0.786 20 0 BCADHO C1CC1N1CCC(N[C@@H]2CC[NH2+]C2)CC1 ZINC000086727860 487537733 /nfs/dbraw/zinc/53/77/33/487537733.db2.gz XFYRIPLWKXWZKM-LLVKDONJSA-N 1 3 209.337 0.565 20 0 BCADHO C[C@@H]1CCC[N@H+](CCCN)[C@@H]1CCO ZINC000662302275 487546405 /nfs/dbraw/zinc/54/64/05/487546405.db2.gz LRNALSWOWCSAHE-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCCN)[C@@H]1CCO ZINC000662302275 487546410 /nfs/dbraw/zinc/54/64/10/487546410.db2.gz LRNALSWOWCSAHE-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H]1CCCN(CCC[NH3+])[C@@H]1CCO ZINC000662302275 487546417 /nfs/dbraw/zinc/54/64/17/487546417.db2.gz LRNALSWOWCSAHE-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000168616718 487530226 /nfs/dbraw/zinc/53/02/26/487530226.db2.gz ABCMHKZEAUTIQT-NXEZZACHSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)(CO)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000168616718 487530231 /nfs/dbraw/zinc/53/02/31/487530231.db2.gz ABCMHKZEAUTIQT-NXEZZACHSA-N 1 3 200.326 0.864 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227153307 487555746 /nfs/dbraw/zinc/55/57/46/487555746.db2.gz VTGTYPJGAXWSJR-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227153307 487555751 /nfs/dbraw/zinc/55/57/51/487555751.db2.gz VTGTYPJGAXWSJR-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272390 487472076 /nfs/dbraw/zinc/47/20/76/487472076.db2.gz LIUJRDZUHJXFAE-VIFPVBQESA-N 1 3 249.305 0.475 20 0 BCADHO C[C@H](CNC(=O)c1ccccc1CC[NH3+])N(C)C ZINC000070541956 487482138 /nfs/dbraw/zinc/48/21/38/487482138.db2.gz JRXLPPJDELJTSR-LLVKDONJSA-N 1 3 249.358 0.868 20 0 BCADHO C[C@H](O)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000227713482 487483461 /nfs/dbraw/zinc/48/34/61/487483461.db2.gz CGFQYXCOARNPQD-NWDGAFQWSA-N 1 3 230.352 0.194 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000086067804 487477085 /nfs/dbraw/zinc/47/70/85/487477085.db2.gz ZGNWYABTMPDFPL-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO Cc1cc(N2CCN3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405460043 487484053 /nfs/dbraw/zinc/48/40/53/487484053.db2.gz IPTWMXHLDSDIBN-QWHCGFSZSA-N 1 3 233.315 0.645 20 0 BCADHO COC[C@H](CN1CC[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662266623 487503999 /nfs/dbraw/zinc/50/39/99/487503999.db2.gz NREQEQKXPSXYIA-AXFHLTTASA-N 1 3 216.325 0.317 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000381361391 487504989 /nfs/dbraw/zinc/50/49/89/487504989.db2.gz FBJBAKHHXZUXHO-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]1[NH2+]CCN(C[C@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662273674 487521943 /nfs/dbraw/zinc/52/19/43/487521943.db2.gz XTKPEFQURADFDC-SDDRHHMPSA-N 1 3 239.363 0.190 20 0 BCADHO Cn1nccc1CC[N@H+](C)C1CCNCC1 ZINC000230774360 488156882 /nfs/dbraw/zinc/15/68/82/488156882.db2.gz JGRMWHSTDKSTIG-UHFFFAOYSA-N 1 3 222.336 0.646 20 0 BCADHO Cn1nccc1CC[N@@H+](C)C1CCNCC1 ZINC000230774360 488156884 /nfs/dbraw/zinc/15/68/84/488156884.db2.gz JGRMWHSTDKSTIG-UHFFFAOYSA-N 1 3 222.336 0.646 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240991 487728485 /nfs/dbraw/zinc/72/84/85/487728485.db2.gz LFCLZMVLVCROBQ-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250240991 487728491 /nfs/dbraw/zinc/72/84/91/487728491.db2.gz LFCLZMVLVCROBQ-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH+]1CCC(C(=O)N2CCNCC2(C)C)CC1 ZINC000259183565 488153196 /nfs/dbraw/zinc/15/31/96/488153196.db2.gz OXKGBEQGAYGZIF-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)(CO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000168616809 488159239 /nfs/dbraw/zinc/15/92/39/488159239.db2.gz ABCMHKZEAUTIQT-ZJUUUORDSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)(CO)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000168616809 488159242 /nfs/dbraw/zinc/15/92/42/488159242.db2.gz ABCMHKZEAUTIQT-ZJUUUORDSA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](C)NC)CC[C@@H]1[NH3+] ZINC000655457423 488198431 /nfs/dbraw/zinc/19/84/31/488198431.db2.gz AIBXZHDFDIFGKO-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO Cc1n[nH]cc1[C@H](C)NCCOCC[NH+](C)C ZINC000683691610 488207884 /nfs/dbraw/zinc/20/78/84/488207884.db2.gz FSKMZWAPCSUGLD-JTQLQIEISA-N 1 3 240.351 0.947 20 0 BCADHO c1cc2n(n1)C[C@H](CN1C[C@H]3C[NH2+]C[C@@H]3C1)CN2 ZINC000684202697 488276162 /nfs/dbraw/zinc/27/61/62/488276162.db2.gz XUKIOGYQOKAFRY-QJPTWQEYSA-N 1 3 247.346 0.076 20 0 BCADHO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC000673840946 488309444 /nfs/dbraw/zinc/30/94/44/488309444.db2.gz OAXZMEFEUFYMHE-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO C[C@H](CCCCO)[NH2+]CC1(O)CCN(C)CC1 ZINC000679339939 488341847 /nfs/dbraw/zinc/34/18/47/488341847.db2.gz GLLWSWVNPITPKB-GFCCVEGCSA-N 1 3 244.379 0.584 20 0 BCADHO CC(C)([NH3+])CC(=O)NCCN1CCCC1 ZINC000082771809 490133237 /nfs/dbraw/zinc/13/32/37/490133237.db2.gz PSPFXQDFYWUPOZ-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000070941766 490251072 /nfs/dbraw/zinc/25/10/72/490251072.db2.gz FNKCZKJFFWPQGX-STQMWFEESA-N 1 3 239.363 0.145 20 0 BCADHO C[N@H+](C[C@H](O)CNCC(C)(C)CO)C1CC1 ZINC000393774083 490689518 /nfs/dbraw/zinc/68/95/18/490689518.db2.gz JARFFTZWSWRIML-LLVKDONJSA-N 1 3 230.352 0.050 20 0 BCADHO C[N@@H+](C[C@H](O)CNCC(C)(C)CO)C1CC1 ZINC000393774083 490689520 /nfs/dbraw/zinc/68/95/20/490689520.db2.gz JARFFTZWSWRIML-LLVKDONJSA-N 1 3 230.352 0.050 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659305190 491078055 /nfs/dbraw/zinc/07/80/55/491078055.db2.gz FMTZSGZVUDLZLT-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366493846 491105055 /nfs/dbraw/zinc/10/50/55/491105055.db2.gz BDPVJKYQXLQYDU-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559737 491128789 /nfs/dbraw/zinc/12/87/89/491128789.db2.gz DAGZUZYRQNQLFB-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559738 491128802 /nfs/dbraw/zinc/12/88/02/491128802.db2.gz DAGZUZYRQNQLFB-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559743 491128828 /nfs/dbraw/zinc/12/88/28/491128828.db2.gz ZHNUNLVBNOJWMU-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO COC(C)(C)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000230413861 491130000 /nfs/dbraw/zinc/13/00/00/491130000.db2.gz GWRLKMFSOJKJHF-QWRGUYRKSA-N 1 3 212.337 0.953 20 0 BCADHO C[C@@H]1C[C@H](NCCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209073 491134726 /nfs/dbraw/zinc/13/47/26/491134726.db2.gz MYAGVJIDDSEIBY-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@H](NCCC(=O)N(C)C)CC[N@H+]1C ZINC000132209073 491134727 /nfs/dbraw/zinc/13/47/27/491134727.db2.gz MYAGVJIDDSEIBY-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C1CCN(C)CC1 ZINC000262360172 535511109 /nfs/dbraw/zinc/51/11/09/535511109.db2.gz KEEAPKQOSSLQSA-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H](CNc1ccncc1CO)[NH+](C)C ZINC000892027754 582765061 /nfs/dbraw/zinc/76/50/61/582765061.db2.gz IZAZAWFSPGEXHK-VIFPVBQESA-N 1 3 209.293 0.358 20 0 BCADHO CN1CC[C@@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000227071886 536451857 /nfs/dbraw/zinc/45/18/57/536451857.db2.gz SBCSBPHSZMJWIF-WDEREUQCSA-N 1 3 225.336 0.278 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494900325 527817267 /nfs/dbraw/zinc/81/72/67/527817267.db2.gz JBDXAQLFIDTMLL-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494900323 527818927 /nfs/dbraw/zinc/81/89/27/527818927.db2.gz JBDXAQLFIDTMLL-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000495169892 528552472 /nfs/dbraw/zinc/55/24/72/528552472.db2.gz VDQUTBGITCOURL-MNOVXSKESA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335335593 535048073 /nfs/dbraw/zinc/04/80/73/535048073.db2.gz ZNLUDLQURXUBOH-WCQYABFASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000184958231 535049550 /nfs/dbraw/zinc/04/95/50/535049550.db2.gz BGPKDDGURFSVQU-ZDCRXTMVSA-N 1 3 225.336 0.165 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000348663719 535137892 /nfs/dbraw/zinc/13/78/92/535137892.db2.gz FAKNVARMLSMYIX-MNOVXSKESA-N 1 3 229.368 0.639 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084419991 535204374 /nfs/dbraw/zinc/20/43/74/535204374.db2.gz BWGSVXNXQYHDKX-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000336091938 535204585 /nfs/dbraw/zinc/20/45/85/535204585.db2.gz RKRCBMRXAWPVBS-MWLCHTKSSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C)N(CC)CC ZINC000352092738 535398203 /nfs/dbraw/zinc/39/82/03/535398203.db2.gz WUMGXBIFHQBODF-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335627375 535758872 /nfs/dbraw/zinc/75/88/72/535758872.db2.gz QJMIAWIIURFRMZ-LBPRGKRZSA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000336041363 535943178 /nfs/dbraw/zinc/94/31/78/535943178.db2.gz KVUNHELKXSTBSP-NWDGAFQWSA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237019235 535951884 /nfs/dbraw/zinc/95/18/84/535951884.db2.gz LVWWEKPFXDFGLK-GDGRRUBZSA-N 1 3 239.363 0.759 20 0 BCADHO CN(C)[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000347759779 536138651 /nfs/dbraw/zinc/13/86/51/536138651.db2.gz RVOCFQXGXPOKHB-ZDUSSCGKSA-N 1 3 236.363 0.989 20 0 BCADHO CN(C)[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347759779 536138654 /nfs/dbraw/zinc/13/86/54/536138654.db2.gz RVOCFQXGXPOKHB-ZDUSSCGKSA-N 1 3 236.363 0.989 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000261546026 536138946 /nfs/dbraw/zinc/13/89/46/536138946.db2.gz KOROXIAVZOAAGT-UTLUCORTSA-N 1 3 213.325 0.452 20 0 BCADHO COCCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000217806480 536515086 /nfs/dbraw/zinc/51/50/86/536515086.db2.gz DPXLNJSONYAWPQ-YNEHKIRRSA-N 1 3 244.379 0.968 20 0 BCADHO COCCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000217806480 536515091 /nfs/dbraw/zinc/51/50/91/536515091.db2.gz DPXLNJSONYAWPQ-YNEHKIRRSA-N 1 3 244.379 0.968 20 0 BCADHO COC[C@H]1CN(CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000261823223 536583497 /nfs/dbraw/zinc/58/34/97/536583497.db2.gz IOUGWVZZMCVUFG-DGCLKSJQSA-N 1 3 242.363 0.722 20 0 BCADHO C[NH2+]CCN(C)Cc1nc2c(s1)CNCC2 ZINC000853245647 588728495 /nfs/dbraw/zinc/72/84/95/588728495.db2.gz AQBBMLTWAPMNLX-UHFFFAOYSA-N 1 3 240.376 0.440 20 0 BCADHO COC(=O)N(C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000854225877 588780587 /nfs/dbraw/zinc/78/05/87/588780587.db2.gz BBGYQUQPWIOEOD-QWRGUYRKSA-N 1 3 243.351 0.662 20 0 BCADHO CC(C)NC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000112800799 588817190 /nfs/dbraw/zinc/81/71/90/588817190.db2.gz KVSQNQOQAGPMDU-JTQLQIEISA-N 1 3 212.341 0.993 20 0 BCADHO C[NH+](C)C(C)(C)CNc1ccncc1CO ZINC000891494557 582693250 /nfs/dbraw/zinc/69/32/50/582693250.db2.gz FZWHWLVBGGZFFS-UHFFFAOYSA-N 1 3 223.320 0.748 20 0 BCADHO CN(CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000891547281 582695741 /nfs/dbraw/zinc/69/57/41/582695741.db2.gz ZPWUZGFCPVAJSE-AOOOYVTPSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCN(C)C1CC1 ZINC000891545053 582696166 /nfs/dbraw/zinc/69/61/66/582696166.db2.gz HQHNVAOXJCKVPF-ZJUUUORDSA-N 1 3 240.351 0.212 20 0 BCADHO CC[C@H](CNC1=[NH+]C[C@@H](C)N1)N1CCCC1 ZINC000848986415 582817243 /nfs/dbraw/zinc/81/72/43/582817243.db2.gz PWOMAOGOMOZNFV-GHMZBOCLSA-N 1 3 224.352 0.798 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137395029 582873091 /nfs/dbraw/zinc/87/30/91/582873091.db2.gz SPHAXXOYXMQVCQ-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000857106861 588888217 /nfs/dbraw/zinc/88/82/17/588888217.db2.gz CLUKLRZCRAIABQ-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2CNCCC2(F)F)C1 ZINC000877243174 583304806 /nfs/dbraw/zinc/30/48/06/583304806.db2.gz IIPSVHTVTUOLDL-IWSPIJDZSA-N 1 3 247.289 0.085 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNc2ccncc2CO)C1 ZINC000894426722 583457151 /nfs/dbraw/zinc/45/71/51/583457151.db2.gz CMPBJJOSGLRMSY-KLPPZKSPSA-N 1 3 235.331 0.748 20 0 BCADHO CNC(=O)CCCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880141451 583475604 /nfs/dbraw/zinc/47/56/04/583475604.db2.gz IMXODQIAWMGENI-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)CCCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880141451 583475605 /nfs/dbraw/zinc/47/56/05/583475605.db2.gz IMXODQIAWMGENI-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894973034 583562655 /nfs/dbraw/zinc/56/26/55/583562655.db2.gz JBXMGIMWHUAEFZ-LBPRGKRZSA-N 1 3 239.363 0.396 20 0 BCADHO CNC(=O)[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894973034 583562657 /nfs/dbraw/zinc/56/26/57/583562657.db2.gz JBXMGIMWHUAEFZ-LBPRGKRZSA-N 1 3 239.363 0.396 20 0 BCADHO COC(=O)C1(C)CN(CC2CC[NH+](C)CC2)C1 ZINC000895017327 583568817 /nfs/dbraw/zinc/56/88/17/583568817.db2.gz CVLVPBSGRNLDQV-UHFFFAOYSA-N 1 3 240.347 0.823 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NC(=O)N2CCCNCC2)C1 ZINC000334953275 583597007 /nfs/dbraw/zinc/59/70/07/583597007.db2.gz SZAIUFXFYRAQCD-QWRGUYRKSA-N 1 3 240.351 0.261 20 0 BCADHO CCON(C)C(=O)CNCC1CC[NH+](C)CC1 ZINC000895162951 583611118 /nfs/dbraw/zinc/61/11/18/583611118.db2.gz KJNBFJZYBGMUKI-UHFFFAOYSA-N 1 3 243.351 0.328 20 0 BCADHO C[C@H](CC[NH2+][C@H]1CCNC(=O)CC1)N(C)C ZINC000895294605 583638253 /nfs/dbraw/zinc/63/82/53/583638253.db2.gz XICNRTAJMDHIAV-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1[C@@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000895736257 583717946 /nfs/dbraw/zinc/71/79/46/583717946.db2.gz IRYMHTMHNILNMR-ONGXEEELSA-N 1 3 221.304 0.500 20 0 BCADHO C[C@H]1[C@@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000895736257 583717949 /nfs/dbraw/zinc/71/79/49/583717949.db2.gz IRYMHTMHNILNMR-ONGXEEELSA-N 1 3 221.304 0.500 20 0 BCADHO CN(CC[NH+](C)C)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000896821912 583837140 /nfs/dbraw/zinc/83/71/40/583837140.db2.gz XKWQIZPJVXFIQQ-NSHDSACASA-N 1 3 241.379 0.879 20 0 BCADHO c1nc(N2CCNCC2)cnc1C1=CC[NH2+]CC1 ZINC000899324029 584196744 /nfs/dbraw/zinc/19/67/44/584196744.db2.gz TXEGFQAJXJSUGR-UHFFFAOYSA-N 1 3 245.330 0.263 20 0 BCADHO NCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740552 584233968 /nfs/dbraw/zinc/23/39/68/584233968.db2.gz HOAAAROMWVTXGU-VIFPVBQESA-N 1 3 209.297 0.127 20 0 BCADHO NCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740551 584234162 /nfs/dbraw/zinc/23/41/62/584234162.db2.gz HOAAAROMWVTXGU-SECBINFHSA-N 1 3 209.297 0.127 20 0 BCADHO O=C(NCCN1CCCC1)C12CC[NH+](CC1)C2 ZINC000900010796 584265226 /nfs/dbraw/zinc/26/52/26/584265226.db2.gz DKFIHMSENIEKOG-UHFFFAOYSA-N 1 3 237.347 0.294 20 0 BCADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000900162570 584281399 /nfs/dbraw/zinc/28/13/99/584281399.db2.gz GVQTYGKWRBKWIO-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361246 584572043 /nfs/dbraw/zinc/57/20/43/584572043.db2.gz OXUYKRLBSYKCMA-ZJUUUORDSA-N 1 3 200.326 0.735 20 0 BCADHO CC(C)[C@H](Cn1cccn1)NCC1([NH3+])CC1 ZINC000902408174 584574520 /nfs/dbraw/zinc/57/45/20/584574520.db2.gz XZROKBPKXHZWIA-NSHDSACASA-N 1 3 222.336 0.989 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@H]2CNC(=O)C2)C1 ZINC000902390894 584582072 /nfs/dbraw/zinc/58/20/72/584582072.db2.gz QSRKYBGFORYKFP-GHMZBOCLSA-N 1 3 239.363 0.490 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2CNCCO2)C1 ZINC000902394296 584583339 /nfs/dbraw/zinc/58/33/39/584583339.db2.gz UPPZYNJZCZDJJC-NWDGAFQWSA-N 1 3 241.379 0.343 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CC2(N)CC2)CN1C1CC1 ZINC000902415582 584589689 /nfs/dbraw/zinc/58/96/89/584589689.db2.gz JILNTKMGHPVPGA-VHSXEESVSA-N 1 3 209.337 0.693 20 0 BCADHO C[C@H]1C[C@@H](NCC2([NH3+])CC2)CN1C1CC1 ZINC000902415582 584589690 /nfs/dbraw/zinc/58/96/90/584589690.db2.gz JILNTKMGHPVPGA-VHSXEESVSA-N 1 3 209.337 0.693 20 0 BCADHO Cn1cnc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902462640 584612666 /nfs/dbraw/zinc/61/26/66/584612666.db2.gz WQQCQJPRHSIWEB-IJLUTSLNSA-N 1 3 234.347 0.898 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470824 584616257 /nfs/dbraw/zinc/61/62/57/584616257.db2.gz HGLIZGVUWGEIHH-ZJMQZLNVSA-N 1 3 235.375 0.952 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503868 584621257 /nfs/dbraw/zinc/62/12/57/584621257.db2.gz LNELKRDVMABIFV-TUAOUCFPSA-N 1 3 212.337 0.864 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](O)C1CC1 ZINC000902503867 584621296 /nfs/dbraw/zinc/62/12/96/584621296.db2.gz LNELKRDVMABIFV-SRVKXCTJSA-N 1 3 212.337 0.864 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCC[C@@H](O)C1CC1 ZINC000902506617 584622029 /nfs/dbraw/zinc/62/20/29/584622029.db2.gz YSJXQLLDNDSLOY-ATZCPNFKSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000902506617 584622031 /nfs/dbraw/zinc/62/20/31/584622031.db2.gz YSJXQLLDNDSLOY-ATZCPNFKSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cn(C)nn1 ZINC000903042984 584720982 /nfs/dbraw/zinc/72/09/82/584720982.db2.gz MRKMQUCJDUEIHI-MXWKQRLJSA-N 1 3 237.351 0.806 20 0 BCADHO COC[C@@](C)(CCO)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903440841 584763332 /nfs/dbraw/zinc/76/33/32/584763332.db2.gz FDRPQONIBYFOBG-GRYCIOLGSA-N 1 3 230.352 0.219 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903458463 584765403 /nfs/dbraw/zinc/76/54/03/584765403.db2.gz AMPDZNZLJBVROR-UTUOFQBUSA-N 1 3 222.336 0.717 20 0 BCADHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000903458724 584765505 /nfs/dbraw/zinc/76/55/05/584765505.db2.gz IHCMYLYVIBLGNH-NOOOWODRSA-N 1 3 212.337 0.999 20 0 BCADHO CON1CC[C@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000903450321 584772311 /nfs/dbraw/zinc/77/23/11/584772311.db2.gz UDKYMXYGYXTGSF-MNOVXSKESA-N 1 3 241.335 0.210 20 0 BCADHO COC(=O)[C@H](C)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454933 584773661 /nfs/dbraw/zinc/77/36/61/584773661.db2.gz OBMSDAYRMKKLGI-MXWKQRLJSA-N 1 3 228.336 0.583 20 0 BCADHO C([NH2+][C@@H]1CCNC12CCC2)[C@H]1CCOC1 ZINC000903470464 584774677 /nfs/dbraw/zinc/77/46/77/584774677.db2.gz LXJAGZSSPSFRTB-GHMZBOCLSA-N 1 3 210.321 0.897 20 0 BCADHO C([NH2+][C@H]1CCNC12CCC2)[C@H]1CCOC1 ZINC000903470465 584774914 /nfs/dbraw/zinc/77/49/14/584774914.db2.gz LXJAGZSSPSFRTB-MNOVXSKESA-N 1 3 210.321 0.897 20 0 BCADHO CON1CC[C@@H](N2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499745 584779994 /nfs/dbraw/zinc/77/99/94/584779994.db2.gz ZKTQZNYGZGMXGA-GMTAPVOTSA-N 1 3 241.335 0.065 20 0 BCADHO FC(F)[C@H]1CNCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903749641 584794967 /nfs/dbraw/zinc/79/49/67/584794967.db2.gz NNLGBBLDHVZZTR-WDEREUQCSA-N 1 3 247.333 0.915 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903742548 584796699 /nfs/dbraw/zinc/79/66/99/584796699.db2.gz CRKHMNCVDHLQOS-WISYIIOYSA-N 1 3 240.347 0.855 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000903742547 584796867 /nfs/dbraw/zinc/79/68/67/584796867.db2.gz CRKHMNCVDHLQOS-WHOHXGKFSA-N 1 3 240.347 0.855 20 0 BCADHO O[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764266 584797135 /nfs/dbraw/zinc/79/71/35/584797135.db2.gz QQIVOEIGQYCUSQ-NEPJUHHUSA-N 1 3 212.337 0.833 20 0 BCADHO O[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764268 584797580 /nfs/dbraw/zinc/79/75/80/584797580.db2.gz QQIVOEIGQYCUSQ-RYUDHWBXSA-N 1 3 212.337 0.833 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903774970 584799069 /nfs/dbraw/zinc/79/90/69/584799069.db2.gz DGPUQGOPJAYIEN-WRWGMCAJSA-N 1 3 240.347 0.712 20 0 BCADHO CO[C@@H]1CC[C@@H]1N(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829597 584805493 /nfs/dbraw/zinc/80/54/93/584805493.db2.gz IDNPGNGKQBRHPT-GRYCIOLGSA-N 1 3 240.347 0.474 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903857007 584810037 /nfs/dbraw/zinc/81/00/37/584810037.db2.gz BTPALCMDNYTZPU-WCQYABFASA-N 1 3 234.347 0.776 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903857007 584810039 /nfs/dbraw/zinc/81/00/39/584810039.db2.gz BTPALCMDNYTZPU-WCQYABFASA-N 1 3 234.347 0.776 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903859145 584810884 /nfs/dbraw/zinc/81/08/84/584810884.db2.gz LGQUOJLFAZJXCH-PWSUYJOCSA-N 1 3 226.320 0.753 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903859145 584810886 /nfs/dbraw/zinc/81/08/86/584810886.db2.gz LGQUOJLFAZJXCH-PWSUYJOCSA-N 1 3 226.320 0.753 20 0 BCADHO COCCOCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903858446 584811355 /nfs/dbraw/zinc/81/13/55/584811355.db2.gz YLVREWWHWZPYIT-VXGBXAGGSA-N 1 3 228.336 0.463 20 0 BCADHO COCCOCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903858446 584811356 /nfs/dbraw/zinc/81/13/56/584811356.db2.gz YLVREWWHWZPYIT-VXGBXAGGSA-N 1 3 228.336 0.463 20 0 BCADHO NC(=O)CC1(NC[C@H]2CC[NH2+]C2)CCCCC1 ZINC000903876378 584816576 /nfs/dbraw/zinc/81/65/76/584816576.db2.gz XSHXPKMMVSDWNU-NSHDSACASA-N 1 3 239.363 0.764 20 0 BCADHO CNC(=O)CC[N@H+](C)C[C@@H](N)CC(F)F ZINC000903892828 584819225 /nfs/dbraw/zinc/81/92/25/584819225.db2.gz XLKHMYJEFMAZQG-ZETCQYMHSA-N 1 3 223.267 0.037 20 0 BCADHO CNC(=O)CC[N@@H+](C)C[C@@H](N)CC(F)F ZINC000903892828 584819226 /nfs/dbraw/zinc/81/92/26/584819226.db2.gz XLKHMYJEFMAZQG-ZETCQYMHSA-N 1 3 223.267 0.037 20 0 BCADHO CC(C)(C)[C@@H](CO)NC[C@@H]([NH3+])CC(F)F ZINC000903903489 584821345 /nfs/dbraw/zinc/82/13/45/584821345.db2.gz LKUSYMBYHUJDKE-JGVFFNPUSA-N 1 3 224.295 0.966 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910566 584821784 /nfs/dbraw/zinc/82/17/84/584821784.db2.gz NWQFINJPISGBOC-XVKPBYJWSA-N 1 3 235.278 0.166 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910566 584821785 /nfs/dbraw/zinc/82/17/85/584821785.db2.gz NWQFINJPISGBOC-XVKPBYJWSA-N 1 3 235.278 0.166 20 0 BCADHO N[C@H](C[NH2+][C@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928140 584824398 /nfs/dbraw/zinc/82/43/98/584824398.db2.gz WCLHSPWCSGLWES-YUMQZZPRSA-N 1 3 247.289 0.322 20 0 BCADHO C[C@@]1(CN2CC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904315879 584860210 /nfs/dbraw/zinc/86/02/10/584860210.db2.gz GAUVBINWOMSRLY-VXGBXAGGSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@]1(C[N@@H+]2CC[C@@H](CO)C2)CCCNC1 ZINC000904315879 584860211 /nfs/dbraw/zinc/86/02/11/584860211.db2.gz GAUVBINWOMSRLY-VXGBXAGGSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@]1(C[N@H+]2CC[C@@H](CO)C2)CCCNC1 ZINC000904315879 584860212 /nfs/dbraw/zinc/86/02/12/584860212.db2.gz GAUVBINWOMSRLY-VXGBXAGGSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@]1(CN2CCC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301535 584861339 /nfs/dbraw/zinc/86/13/39/584861339.db2.gz NCNOCUAILXARII-WCQYABFASA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C[N@@H+]2CCC[C@H](C(N)=O)C2)CCCNC1 ZINC000904301535 584861340 /nfs/dbraw/zinc/86/13/40/584861340.db2.gz NCNOCUAILXARII-WCQYABFASA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C[N@H+]2CCC[C@H](C(N)=O)C2)CCCNC1 ZINC000904301535 584861341 /nfs/dbraw/zinc/86/13/41/584861341.db2.gz NCNOCUAILXARII-WCQYABFASA-N 1 3 239.363 0.573 20 0 BCADHO CN(C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCCNC1=O ZINC000904313122 584863248 /nfs/dbraw/zinc/86/32/48/584863248.db2.gz CWDDGLWDILWQMV-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@H]3COCC[C@H]32)C1 ZINC000904326914 584865479 /nfs/dbraw/zinc/86/54/79/584865479.db2.gz SYYXTYUCMHYNBU-KXNHARMFSA-N 1 3 242.388 0.930 20 0 BCADHO CCCCCN(CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904332904 584865928 /nfs/dbraw/zinc/86/59/28/584865928.db2.gz TVYCEAAZTRGKCK-PHIMTYICSA-N 1 3 227.352 0.701 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCCC3(C2)OCCO3)C1 ZINC000904328990 584866258 /nfs/dbraw/zinc/86/62/58/584866258.db2.gz JXZGCZOBASNOOO-PHIMTYICSA-N 1 3 226.320 0.563 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904342681 584867293 /nfs/dbraw/zinc/86/72/93/584867293.db2.gz NGDNTCAFRDOVRG-OLZOCXBDSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904342681 584867294 /nfs/dbraw/zinc/86/72/94/584867294.db2.gz NGDNTCAFRDOVRG-OLZOCXBDSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904342682 584867336 /nfs/dbraw/zinc/86/73/36/584867336.db2.gz NGDNTCAFRDOVRG-QWHCGFSZSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904342682 584867337 /nfs/dbraw/zinc/86/73/37/584867337.db2.gz NGDNTCAFRDOVRG-QWHCGFSZSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(CNC[C@@H]2C[C@H](F)CN2)CCC[NH2+]C1 ZINC000904355282 584870730 /nfs/dbraw/zinc/87/07/30/584870730.db2.gz PJYUIGZRUGDPHH-SRVKXCTJSA-N 1 3 229.343 0.666 20 0 BCADHO CNC(=O)c1cccc(CNC2CC(C[NH3+])C2)c1 ZINC000904360851 584872117 /nfs/dbraw/zinc/87/21/17/584872117.db2.gz QFLPARLGYXFECH-UHFFFAOYSA-N 1 3 247.342 0.873 20 0 BCADHO CN(CC[NH3+])Cc1ccc(N2CCNCC2)o1 ZINC000904371335 584873258 /nfs/dbraw/zinc/87/32/58/584873258.db2.gz MSSZYFLCXVOVKA-UHFFFAOYSA-N 1 3 238.335 0.080 20 0 BCADHO [NH3+]Cc1ccc(CNC[C@@H]2CNCCO2)cc1 ZINC000904371682 584873488 /nfs/dbraw/zinc/87/34/88/584873488.db2.gz QYKLLMGGYWXUJM-ZDUSSCGKSA-N 1 3 235.331 0.223 20 0 BCADHO CC(C)CCCN1CCNCC[NH2+]CC1 ZINC000904396779 584875247 /nfs/dbraw/zinc/87/52/47/584875247.db2.gz QGPBKCGUXZJURS-UHFFFAOYSA-N 1 3 213.369 0.917 20 0 BCADHO C[C@H](NC1CC(C[NH3+])C1)c1ccnn1C ZINC000904384028 584877307 /nfs/dbraw/zinc/87/73/07/584877307.db2.gz GNVPSMCBSQVPDR-IDKOKCKLSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876831780 584887511 /nfs/dbraw/zinc/88/75/11/584887511.db2.gz KATLHFNFMJPNSF-WHOHXGKFSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](N)C1CCC1 ZINC000831970516 584911266 /nfs/dbraw/zinc/91/12/66/584911266.db2.gz ICJXSLMNGWSITC-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H](N)C1CCC1 ZINC000831970516 584911267 /nfs/dbraw/zinc/91/12/67/584911267.db2.gz ICJXSLMNGWSITC-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc(CN)c1 ZINC000834822741 584914868 /nfs/dbraw/zinc/91/48/68/584914868.db2.gz YYPUOUDLXQFVQR-RKDXNWHRSA-N 1 3 221.304 0.611 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884043374 584940302 /nfs/dbraw/zinc/94/03/02/584940302.db2.gz UUGWBTIOBPXFGB-GHMZBOCLSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884359286 584951371 /nfs/dbraw/zinc/95/13/71/584951371.db2.gz HBVKBUWXDKBMOQ-HGNGGELXSA-N 1 3 225.336 0.369 20 0 BCADHO Cc1nccn1CC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000766248372 585499309 /nfs/dbraw/zinc/49/93/09/585499309.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CC[N@H+]1CCN(C)[C@H](C)C1 ZINC000766248372 585499310 /nfs/dbraw/zinc/49/93/10/585499310.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@H+](C)[C@H](C)C1 ZINC000766248372 585499311 /nfs/dbraw/zinc/49/93/11/585499311.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@@H+](C)[C@H](C)C1 ZINC000766248372 585499312 /nfs/dbraw/zinc/49/93/12/585499312.db2.gz NVWOGMWXYZYTGJ-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO CC[NH+](CC)CCOC(=O)C1CCN(C)C1=O ZINC000772505892 585616932 /nfs/dbraw/zinc/61/69/32/585616932.db2.gz CXWFBYVBFJGTIB-JTQLQIEISA-N 1 3 242.319 0.350 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)CCO)C1 ZINC000779339868 585751427 /nfs/dbraw/zinc/75/14/27/585751427.db2.gz GFYUGOIOJQFNEO-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@H](O)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000795140553 586069335 /nfs/dbraw/zinc/06/93/35/586069335.db2.gz OVTQZSSHOUOQMN-NEPJUHHUSA-N 1 3 235.331 0.973 20 0 BCADHO CCNCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000817860295 586830688 /nfs/dbraw/zinc/83/06/88/586830688.db2.gz FXALXQCKVHAXIG-AXFHLTTASA-N 1 3 227.352 0.428 20 0 BCADHO CN(CCC[NH3+])C(=O)c1cccc(CN)c1 ZINC000818522555 586897267 /nfs/dbraw/zinc/89/72/67/586897267.db2.gz KRWPTAMNRFICHB-UHFFFAOYSA-N 1 3 221.304 0.566 20 0 BCADHO [NH3+]CCOc1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000818543361 586899727 /nfs/dbraw/zinc/89/97/27/586899727.db2.gz RDNUXJHWWYECPN-LLVKDONJSA-N 1 3 235.287 0.325 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818557281 586900807 /nfs/dbraw/zinc/90/08/07/586900807.db2.gz PHHVYZCUKPSIJN-GFCCVEGCSA-N 1 3 233.315 0.579 20 0 BCADHO CCNCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000818613266 586906299 /nfs/dbraw/zinc/90/62/99/586906299.db2.gz LDPHMIAFMSPUQR-LLVKDONJSA-N 1 3 233.315 0.513 20 0 BCADHO O=C(CNC1CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612883 586906549 /nfs/dbraw/zinc/90/65/49/586906549.db2.gz WXLWQJZOLYPOGJ-LBPRGKRZSA-N 1 3 223.320 0.093 20 0 BCADHO CCNCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000818613267 586906807 /nfs/dbraw/zinc/90/68/07/586906807.db2.gz LDPHMIAFMSPUQR-NSHDSACASA-N 1 3 233.315 0.513 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000825558989 587325270 /nfs/dbraw/zinc/32/52/70/587325270.db2.gz WGVWWSSSXVJQON-NNYUYHANSA-N 1 3 237.347 0.324 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000825558991 587325283 /nfs/dbraw/zinc/32/52/83/587325283.db2.gz WGVWWSSSXVJQON-WRWGMCAJSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H](CNC(=O)NCCCCCC[NH3+])N(C)C ZINC000831172892 587588856 /nfs/dbraw/zinc/58/88/56/587588856.db2.gz OBQGFSFMTRNWOT-NSHDSACASA-N 1 3 244.383 0.755 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831898647 587635768 /nfs/dbraw/zinc/63/57/68/587635768.db2.gz MAVBBPHKEILPQN-JQWIXIFHSA-N 1 3 243.326 0.241 20 0 BCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H](N)CC(F)F ZINC000831970396 587640038 /nfs/dbraw/zinc/64/00/38/587640038.db2.gz FYXCRZLRRPBKLA-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@H](N)CC(F)F ZINC000831970396 587640040 /nfs/dbraw/zinc/64/00/40/587640040.db2.gz FYXCRZLRRPBKLA-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H](C(=O)NCCN1CCC[C@H]1C)[C@H](C)[NH3+] ZINC000831971263 587640113 /nfs/dbraw/zinc/64/01/13/587640113.db2.gz UPEAVNDDJBAVLO-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000831970317 587640313 /nfs/dbraw/zinc/64/03/13/587640313.db2.gz CHQHUCVAGAHJDB-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000831971047 587640445 /nfs/dbraw/zinc/64/04/45/587640445.db2.gz QFLUEHJTSUPHJX-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCC[C@@H]1C ZINC000831971452 587640573 /nfs/dbraw/zinc/64/05/73/587640573.db2.gz XUSIHDINCLFUPS-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000831970262 587640667 /nfs/dbraw/zinc/64/06/67/587640667.db2.gz BDRQPXUHIKFDKW-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C1CC[NH2+]CC1 ZINC000831971381 587640804 /nfs/dbraw/zinc/64/08/04/587640804.db2.gz WQQSNQJZWAWBIN-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000831970285 587640976 /nfs/dbraw/zinc/64/09/76/587640976.db2.gz BPLTYITZRBQEEI-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO NCc1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000832212391 587650599 /nfs/dbraw/zinc/65/05/99/587650599.db2.gz ALQDCABKJOZASY-UHFFFAOYSA-N 1 3 233.315 0.627 20 0 BCADHO NCc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000832322012 587653995 /nfs/dbraw/zinc/65/39/95/587653995.db2.gz CGULTZHSAUJJLZ-LBPRGKRZSA-N 1 3 233.315 0.627 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)c1cccc(CN)c1 ZINC000832564706 587667158 /nfs/dbraw/zinc/66/71/58/587667158.db2.gz FQGQISINWDAGOS-VIFPVBQESA-N 1 3 221.304 0.612 20 0 BCADHO CNCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607232 587669258 /nfs/dbraw/zinc/66/92/58/587669258.db2.gz VCUCIDABMZWIAM-UHFFFAOYSA-N 1 3 223.276 0.182 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000834608824 587760486 /nfs/dbraw/zinc/76/04/86/587760486.db2.gz VCVMEQXYFJDNQP-GXSJLCMTSA-N 1 3 221.304 0.020 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000834608606 587760495 /nfs/dbraw/zinc/76/04/95/587760495.db2.gz DROVDQCEAVFXOM-GZMMTYOYSA-N 1 3 239.294 0.331 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000834786171 587766921 /nfs/dbraw/zinc/76/69/21/587766921.db2.gz LOCBDDDBPQBYEB-GXSJLCMTSA-N 1 3 231.315 0.322 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)c1cccc(CN)c1 ZINC000834827196 587767857 /nfs/dbraw/zinc/76/78/57/587767857.db2.gz RSZJURBHRWAWNZ-NSHDSACASA-N 1 3 221.304 0.612 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@@H]1CNCCC1(F)F ZINC000834846204 587768452 /nfs/dbraw/zinc/76/84/52/587768452.db2.gz PDUOUABBIQBCBT-SSDOTTSWSA-N 1 3 235.278 0.227 20 0 BCADHO CN1CCCC(C(=O)OCCC[NH+](C)C)C1=O ZINC000837959530 587905905 /nfs/dbraw/zinc/90/59/05/587905905.db2.gz ODFGCIAFOFGRDS-JTQLQIEISA-N 1 3 242.319 0.350 20 0 BCADHO COCC[N@H+](C)CC1CCN(C)CC1 ZINC000104083733 587933943 /nfs/dbraw/zinc/93/39/43/587933943.db2.gz FNGYXNDYGTXFRR-UHFFFAOYSA-N 1 3 200.326 0.906 20 0 BCADHO COCC[N@@H+](C)CC1CCN(C)CC1 ZINC000104083733 587933944 /nfs/dbraw/zinc/93/39/44/587933944.db2.gz FNGYXNDYGTXFRR-UHFFFAOYSA-N 1 3 200.326 0.906 20 0 BCADHO C[C@H]1C[C@@H](CN2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007557 587934801 /nfs/dbraw/zinc/93/48/01/587934801.db2.gz YWTWXHOFVCYQSZ-RYUDHWBXSA-N 1 3 240.347 0.823 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)NC[C@H](C)N1CCCCC1 ZINC000841725592 587973384 /nfs/dbraw/zinc/97/33/84/587973384.db2.gz NRFBEEWWZYHMTN-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO CCNCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000841855820 587978517 /nfs/dbraw/zinc/97/85/17/587978517.db2.gz ILOZPRWKAFBYJL-MRVPVSSYSA-N 1 3 201.314 0.086 20 0 BCADHO O=C(N1CC[C@@]2(CCC[NH2+]2)C1)[C@]1(F)CCNC1 ZINC000842514530 588032159 /nfs/dbraw/zinc/03/21/59/588032159.db2.gz XOEFKZLCVLNZKG-RYUDHWBXSA-N 1 3 241.310 0.043 20 0 BCADHO CN(C(=O)c1cccc(CN)c1)[C@@H](C[NH3+])C1CC1 ZINC000842510956 588032331 /nfs/dbraw/zinc/03/23/31/588032331.db2.gz VOVNWAFNIGDFSH-ZDUSSCGKSA-N 1 3 247.342 0.955 20 0 BCADHO O=C(N1CCC2(CC[NH2+]2)CC1)[C@]1(F)CCNC1 ZINC000842512130 588032511 /nfs/dbraw/zinc/03/25/11/588032511.db2.gz KNTBWNJHSLIRSH-LBPRGKRZSA-N 1 3 241.310 0.043 20 0 BCADHO C[C@@H]1C[NH2+]C[C@@H](N[C@H]2CNCCC2(F)F)C1 ZINC000843125859 588084533 /nfs/dbraw/zinc/08/45/33/588084533.db2.gz JRILDDPKUQVXDB-GUBZILKMSA-N 1 3 233.306 0.571 20 0 BCADHO CC(C)([NH3+])CCC(=O)N[C@@H]1CNCCC1(F)F ZINC000843483945 588114397 /nfs/dbraw/zinc/11/43/97/588114397.db2.gz LGORFSYHCOTMDQ-MRVPVSSYSA-N 1 3 249.305 0.617 20 0 BCADHO CCNCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000843489939 588115096 /nfs/dbraw/zinc/11/50/96/588115096.db2.gz OIKHJXQVKCBVKT-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CCNCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000843498892 588116087 /nfs/dbraw/zinc/11/60/87/588116087.db2.gz VRXNUGQGKIMIBV-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CSCC[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000843505704 588117348 /nfs/dbraw/zinc/11/73/48/588117348.db2.gz JJUBYRGOGBKPCN-JTQLQIEISA-N 1 3 247.408 0.702 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000844170809 588171660 /nfs/dbraw/zinc/17/16/60/588171660.db2.gz DHHCTTZPHOKXNB-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000844170809 588171662 /nfs/dbraw/zinc/17/16/62/588171662.db2.gz DHHCTTZPHOKXNB-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+]CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000844183050 588171977 /nfs/dbraw/zinc/17/19/77/588171977.db2.gz ONGXFOVZEZVKJO-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO CC[NH2+]CC(=O)NCCN1CCC[C@H](C)C1 ZINC000844171462 588172406 /nfs/dbraw/zinc/17/24/06/588172406.db2.gz IQRGKQPUGGPEPU-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000844190513 588172816 /nfs/dbraw/zinc/17/28/16/588172816.db2.gz JFHGSKQBXWEJDG-ZJUUUORDSA-N 1 3 225.336 0.337 20 0 BCADHO CCNCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846696148 588283465 /nfs/dbraw/zinc/28/34/65/588283465.db2.gz XRZISAZNBAVSGE-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@]1(F)CCNC1 ZINC000846743493 588284226 /nfs/dbraw/zinc/28/42/26/588284226.db2.gz ZLUDOCYVFABDNP-WCABBAIRSA-N 1 3 229.299 0.026 20 0 BCADHO CN[C@@H](C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000848395253 588377051 /nfs/dbraw/zinc/37/70/51/588377051.db2.gz ATBCFVMSQLIBJQ-IDKOKCKLSA-N 1 3 213.325 0.323 20 0 BCADHO CC1(CN[C@@H]2CCC[C@H]([NH3+])C2)OCCCO1 ZINC000848722141 588408296 /nfs/dbraw/zinc/40/82/96/588408296.db2.gz KDYRCZKJVQBTLD-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO Cn1ncc(CCC[NH2+][C@H]2CCC[C@H](N)C2)n1 ZINC000848720090 588408367 /nfs/dbraw/zinc/40/83/67/588408367.db2.gz JIBURTSHDGXDAR-QWRGUYRKSA-N 1 3 237.351 0.607 20 0 BCADHO Cn1ncc(CCCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000848720090 588408369 /nfs/dbraw/zinc/40/83/69/588408369.db2.gz JIBURTSHDGXDAR-QWRGUYRKSA-N 1 3 237.351 0.607 20 0 BCADHO CNC(=[NH2+])NCC1(N(C)C)CCCCC1 ZINC000848981079 588423590 /nfs/dbraw/zinc/42/35/90/588423590.db2.gz HQOYVGWPLHDRIM-UHFFFAOYSA-N 1 3 212.341 0.995 20 0 BCADHO CNC(=[NH2+])NC[C@@H](C)N1CCCC[C@H]1C ZINC000848986996 588425588 /nfs/dbraw/zinc/42/55/88/588425588.db2.gz DKZZIGSXPUYKTD-NXEZZACHSA-N 1 3 212.341 0.993 20 0 BCADHO CCN1CCN(CCCCNC(=[NH2+])NC)CC1 ZINC000848989840 588426721 /nfs/dbraw/zinc/42/67/21/588426721.db2.gz FOAYXFURBCSOJX-UHFFFAOYSA-N 1 3 241.383 0.148 20 0 BCADHO CCNC(=[NH2+])NCCCN(C)CCOC ZINC000848993308 588427838 /nfs/dbraw/zinc/42/78/38/588427838.db2.gz XXYYOYUJBWOPNY-UHFFFAOYSA-N 1 3 216.329 0.089 20 0 BCADHO CN1CC=C(CNC(=[NH2+])NC2CCC2)CC1 ZINC000849016708 588437017 /nfs/dbraw/zinc/43/70/17/588437017.db2.gz DQZGHZQPSFQTPT-UHFFFAOYSA-N 1 3 222.336 0.915 20 0 BCADHO CN1CC=C(CNC(=[NH2+])N2CCC2)CC1 ZINC000849016800 588437454 /nfs/dbraw/zinc/43/74/54/588437454.db2.gz KQUFYLYIIKAAPG-UHFFFAOYSA-N 1 3 208.309 0.478 20 0 BCADHO CC[C@@H](CO)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849020704 588438988 /nfs/dbraw/zinc/43/89/88/588438988.db2.gz YAKJIKXLXOKKQW-WDEREUQCSA-N 1 3 242.367 0.356 20 0 BCADHO C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CN(C)C ZINC000849030609 588442889 /nfs/dbraw/zinc/44/28/89/588442889.db2.gz PPDGJXMARSEIFF-QWRGUYRKSA-N 1 3 242.367 0.477 20 0 BCADHO C[C@H](O)[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000852562049 588690902 /nfs/dbraw/zinc/69/09/02/588690902.db2.gz ZQLPLMZCLFTMOY-YNEHKIRRSA-N 1 3 242.363 0.288 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCC[C@@H]1C ZINC000852823235 588705739 /nfs/dbraw/zinc/70/57/39/588705739.db2.gz CVWBHSXDALDEPC-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1NCC12CCCC2 ZINC000852825468 588705932 /nfs/dbraw/zinc/70/59/32/588705932.db2.gz KQWOYZPEMVCEIE-NSHDSACASA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)C[C@H]1NCc2ccccc21 ZINC000852831159 588706639 /nfs/dbraw/zinc/70/66/39/588706639.db2.gz PJUCTZZULWMGSX-JOYOIKCWSA-N 1 3 233.315 0.684 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CNCCC1(F)F ZINC000852832544 588706826 /nfs/dbraw/zinc/70/68/26/588706826.db2.gz NDYGIWVRRIJVFH-SFYZADRCSA-N 1 3 235.278 0.098 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852861674 588709121 /nfs/dbraw/zinc/70/91/21/588709121.db2.gz GXKCTWDKGUDRBR-LBPRGKRZSA-N 1 3 237.347 0.507 20 0 BCADHO C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)[C@H](C)CN1 ZINC000852874791 588710003 /nfs/dbraw/zinc/71/00/03/588710003.db2.gz POTMAVIDLGGILQ-GHMZBOCLSA-N 1 3 237.347 0.505 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000852900528 588712418 /nfs/dbraw/zinc/71/24/18/588712418.db2.gz XWAJWBRAHCKUJA-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000852909788 588712960 /nfs/dbraw/zinc/71/29/60/588712960.db2.gz ADAPMMWITRUKIX-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861651527 589173177 /nfs/dbraw/zinc/17/31/77/589173177.db2.gz VHLOGMJWRAZWDT-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000863541661 589297235 /nfs/dbraw/zinc/29/72/35/589297235.db2.gz LITSGEJDVHVGET-GRYCIOLGSA-N 1 3 238.331 0.965 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000863541661 589297236 /nfs/dbraw/zinc/29/72/36/589297236.db2.gz LITSGEJDVHVGET-GRYCIOLGSA-N 1 3 238.331 0.965 20 0 BCADHO CC[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N(C)C ZINC000863585850 589302417 /nfs/dbraw/zinc/30/24/17/589302417.db2.gz NHMOUKCJTWXTCK-DGCLKSJQSA-N 1 3 239.363 0.681 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864453715 589366057 /nfs/dbraw/zinc/36/60/57/589366057.db2.gz BCYOBBSABHOTLI-GHMZBOCLSA-N 1 3 242.367 0.477 20 0 BCADHO C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCCN(C)C1 ZINC000864457263 589367406 /nfs/dbraw/zinc/36/74/06/589367406.db2.gz CCEUOIDUVOOVTN-GMTAPVOTSA-N 1 3 224.352 0.851 20 0 BCADHO CC(C)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706443 589514665 /nfs/dbraw/zinc/51/46/65/589514665.db2.gz BSHYSZAXROSKDY-AXFHLTTASA-N 1 3 239.319 0.262 20 0 BCADHO CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707139 589514709 /nfs/dbraw/zinc/51/47/09/589514709.db2.gz GXKKQJXGGHQYNU-MXWKQRLJSA-N 1 3 239.319 0.263 20 0 BCADHO CCNCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000868036190 589545212 /nfs/dbraw/zinc/54/52/12/589545212.db2.gz UXWWMYMXCJTWPX-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CN(CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000870874138 589693579 /nfs/dbraw/zinc/69/35/79/589693579.db2.gz VCNASCVDFRSMKX-PHIMTYICSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000870892816 589695063 /nfs/dbraw/zinc/69/50/63/589695063.db2.gz MPHLRUYFWIARJI-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)CN1 ZINC000870912508 589696941 /nfs/dbraw/zinc/69/69/41/589696941.db2.gz GYQLYPYOHXQHKN-OQEOFVATSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N(C)C ZINC000870921119 589697103 /nfs/dbraw/zinc/69/71/03/589697103.db2.gz MPHFORDFMOQNCA-ZBOXLXRLSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(CC[NH2+]CC1CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000870947844 589700812 /nfs/dbraw/zinc/70/08/12/589700812.db2.gz UBDWXUDRKLFXTP-QWRGUYRKSA-N 1 3 243.326 0.192 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC[C@H]1F ZINC000870957595 589701419 /nfs/dbraw/zinc/70/14/19/589701419.db2.gz OWZKUGZORSXWKD-LMLFDSFASA-N 1 3 243.326 0.402 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870967191 589702784 /nfs/dbraw/zinc/70/27/84/589702784.db2.gz LJNDTMSRZVPTSV-AOOOYVTPSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968741 589702918 /nfs/dbraw/zinc/70/29/18/589702918.db2.gz CGBHZDHKDVFRCB-KXUCPTDWSA-N 1 3 213.325 0.213 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983066 589705344 /nfs/dbraw/zinc/70/53/44/589705344.db2.gz SIDKKOQXTOFJRI-GARJFASQSA-N 1 3 225.336 0.147 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983066 589705346 /nfs/dbraw/zinc/70/53/46/589705346.db2.gz SIDKKOQXTOFJRI-GARJFASQSA-N 1 3 225.336 0.147 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986055 589705732 /nfs/dbraw/zinc/70/57/32/589705732.db2.gz CZIBHQLFONZMNQ-WPRPVWTQSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870993717 589707968 /nfs/dbraw/zinc/70/79/68/589707968.db2.gz KVYMFBDDUGQVSF-ZDUSSCGKSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991652 589707993 /nfs/dbraw/zinc/70/79/93/589707993.db2.gz FXQDZWDVTIXCES-SKDRFNHKSA-N 1 3 227.352 0.557 20 0 BCADHO COCC1(N(C)CCN2CC[NH2+]CC2)CCC1 ZINC000872156917 589885698 /nfs/dbraw/zinc/88/56/98/589885698.db2.gz DNJPNLLLPMXHPQ-UHFFFAOYSA-N 1 3 241.379 0.393 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)CC(C)(C)O)CC1 ZINC000872198429 589889187 /nfs/dbraw/zinc/88/91/87/589889187.db2.gz XEZYNSXMBAHPRA-GFCCVEGCSA-N 1 3 244.379 0.582 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)CC(C)(C)O)CC[N@@H+]1C ZINC000872204361 589891752 /nfs/dbraw/zinc/89/17/52/589891752.db2.gz OUHSBDPRZYLEEP-IJLUTSLNSA-N 1 3 244.379 0.581 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204361 589891754 /nfs/dbraw/zinc/89/17/54/589891754.db2.gz OUHSBDPRZYLEEP-IJLUTSLNSA-N 1 3 244.379 0.581 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCNCCC1(C)C ZINC000872290471 589906315 /nfs/dbraw/zinc/90/63/15/589906315.db2.gz SGCLWOCIUJFHPD-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO CC1(C)CCNCCN1C(=O)CC1(C[NH3+])CC1 ZINC000872300086 589907828 /nfs/dbraw/zinc/90/78/28/589907828.db2.gz SOZPRNOBGULWGV-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CC1(C)CCNCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000872298905 589908141 /nfs/dbraw/zinc/90/81/41/589908141.db2.gz WJLSZGXLDCLIKY-URLYPYJESA-N 1 3 237.347 0.052 20 0 BCADHO Nc1cnc(CN[C@@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000873212895 589997190 /nfs/dbraw/zinc/99/71/90/589997190.db2.gz RRYVVQQFYOZTRO-DTWKUNHWSA-N 1 3 221.308 0.276 20 0 BCADHO CC(C)([NH3+])CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873215785 589997832 /nfs/dbraw/zinc/99/78/32/589997832.db2.gz FMYRYOHDGDPTLZ-LADJIXMOSA-N 1 3 210.321 0.737 20 0 BCADHO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N)C1 ZINC000873236161 590004875 /nfs/dbraw/zinc/00/48/75/590004875.db2.gz VIYMKUXBLJPBKG-SDDRHHMPSA-N 1 3 241.379 0.301 20 0 BCADHO COC[C@@H](CCC[NH3+])N[C@H](C)c1ccnn1C ZINC000873274181 590017046 /nfs/dbraw/zinc/01/70/46/590017046.db2.gz BJXNGJDXCCDODV-GHMZBOCLSA-N 1 3 240.351 0.825 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297573 590025186 /nfs/dbraw/zinc/02/51/86/590025186.db2.gz YEWCULDRDISGOA-KKOKHZNYSA-N 1 3 212.337 0.735 20 0 BCADHO CN1CCCN(C(=O)CCCCC[NH3+])CC1 ZINC000020217833 590088849 /nfs/dbraw/zinc/08/88/49/590088849.db2.gz FWQHEYQVYHIZMJ-UHFFFAOYSA-N 1 3 227.352 0.670 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCCNCC1 ZINC000876506005 590204715 /nfs/dbraw/zinc/20/47/15/590204715.db2.gz NIAKWXKKODMPSW-NXEZZACHSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514727 590206513 /nfs/dbraw/zinc/20/65/13/590206513.db2.gz YLVMJDLYEXAIEU-RYUDHWBXSA-N 1 3 241.379 0.947 20 0 BCADHO CN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876710404 590232839 /nfs/dbraw/zinc/23/28/39/590232839.db2.gz KBKQEWDFMHJOHR-GHMZBOCLSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCN1CCCC1 ZINC000876712754 590232944 /nfs/dbraw/zinc/23/29/44/590232944.db2.gz JJRPHXKQGXVDPK-MNOVXSKESA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000876735414 590234196 /nfs/dbraw/zinc/23/41/96/590234196.db2.gz NKCJPKOCNPOCNC-BBBLOLIVSA-N 1 3 227.352 0.426 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876732665 590234642 /nfs/dbraw/zinc/23/46/42/590234642.db2.gz CGNIGQKYXLSANW-HBNTYKKESA-N 1 3 243.326 0.144 20 0 BCADHO CN(CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000876737456 590235405 /nfs/dbraw/zinc/23/54/05/590235405.db2.gz QWADFSUOYIZTLG-KOLCDFICSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H]1C ZINC000876831766 590247458 /nfs/dbraw/zinc/24/74/58/590247458.db2.gz JUBGRIBHRUTKGO-JBDRJPRFSA-N 1 3 247.289 0.035 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876831574 590247509 /nfs/dbraw/zinc/24/75/09/590247509.db2.gz HKAAWFWNKRBHID-LNFKQOIKSA-N 1 3 243.326 0.143 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876833831 590247861 /nfs/dbraw/zinc/24/78/61/590247861.db2.gz YGXBXDWVYYROAS-ZRUFSTJUSA-N 1 3 239.363 0.569 20 0 BCADHO CC1(C)[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C[C@@H]1[NH3+] ZINC000876857771 590250105 /nfs/dbraw/zinc/25/01/05/590250105.db2.gz VUIWPWWNRIZTRM-XKNYDFJKSA-N 1 3 243.326 0.176 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000876873115 590251984 /nfs/dbraw/zinc/25/19/84/590251984.db2.gz WCLUZVCPYNWQHA-ZJUUUORDSA-N 1 3 239.363 0.570 20 0 BCADHO CCN[C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000876937839 590258917 /nfs/dbraw/zinc/25/89/17/590258917.db2.gz FRQKRNFKXIJWRY-JTQLQIEISA-N 1 3 215.341 0.620 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000876956279 590260997 /nfs/dbraw/zinc/26/09/97/590260997.db2.gz ITFKJRIRYUYEON-IJLUTSLNSA-N 1 3 239.363 0.857 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@]1(F)CCNC1 ZINC000877002455 590268100 /nfs/dbraw/zinc/26/81/00/590268100.db2.gz VHIFVHRNEYSHBZ-KOLCDFICSA-N 1 3 241.310 0.089 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877005291 590268162 /nfs/dbraw/zinc/26/81/62/590268162.db2.gz QYPWAFBZCKZQCG-KOLCDFICSA-N 1 3 237.347 0.528 20 0 BCADHO CCNCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877009722 590268653 /nfs/dbraw/zinc/26/86/53/590268653.db2.gz XWDRVPDQZZFBPI-QWHCGFSZSA-N 1 3 247.342 0.468 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877094667 590281215 /nfs/dbraw/zinc/28/12/15/590281215.db2.gz BBYIABGSDJPTIW-IUCAKERBSA-N 1 3 201.314 0.165 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000877095024 590281735 /nfs/dbraw/zinc/28/17/35/590281735.db2.gz GTVNNLALYVQYMY-CMPLNLGQSA-N 1 3 235.331 0.362 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)c1cccc(CN)c1 ZINC000877103263 590283838 /nfs/dbraw/zinc/28/38/38/590283838.db2.gz SIEJLJJWPSMNTR-SECBINFHSA-N 1 3 221.304 0.565 20 0 BCADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH3+])N(C)C ZINC000877103639 590284291 /nfs/dbraw/zinc/28/42/91/590284291.db2.gz XBKJWWYLKQHAIA-NXEZZACHSA-N 1 3 215.341 0.378 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000877105353 590284822 /nfs/dbraw/zinc/28/48/22/590284822.db2.gz OJPXFDFXZRFBKG-ZWNOBZJWSA-N 1 3 247.342 0.679 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000877105888 590284968 /nfs/dbraw/zinc/28/49/68/590284968.db2.gz STXJUFPOQYZCHZ-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)CN(C)CC(C)(C)C ZINC000877107445 590285900 /nfs/dbraw/zinc/28/59/00/590285900.db2.gz FRQJZJXFHURNDF-SNVBAGLBSA-N 1 3 229.368 0.770 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877126408 590289818 /nfs/dbraw/zinc/28/98/18/590289818.db2.gz JYTCGFGTMUGHAL-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157286 590293953 /nfs/dbraw/zinc/29/39/53/590293953.db2.gz BYSNISYRGVLSMA-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C(=O)N1C2CCC1(C[NH3+])CC2)N(C)C ZINC000877183629 590298210 /nfs/dbraw/zinc/29/82/10/590298210.db2.gz ANWZVBKEBUTXRR-QWKFWESOSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187759 590298560 /nfs/dbraw/zinc/29/85/60/590298560.db2.gz GONQNOSCXXYEOG-FJJSSXBZSA-N 1 3 237.347 0.609 20 0 BCADHO CN[C@@H](C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877184421 590298574 /nfs/dbraw/zinc/29/85/74/590298574.db2.gz MNYINCAFVIFFIC-SILCLGDVSA-N 1 3 211.309 0.077 20 0 BCADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000877242689 590302775 /nfs/dbraw/zinc/30/27/75/590302775.db2.gz IIPSVHTVTUOLDL-YIZRAAEISA-N 1 3 247.289 0.085 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243138 590302798 /nfs/dbraw/zinc/30/27/98/590302798.db2.gz GLQASTHHQLWAQM-DDHJBXDOSA-N 1 3 239.363 0.713 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000877245639 590303023 /nfs/dbraw/zinc/30/30/23/590303023.db2.gz JVRRAFLWQHRFIA-ILWJIGKKSA-N 1 3 223.320 0.125 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282726 590306817 /nfs/dbraw/zinc/30/68/17/590306817.db2.gz MUDSKUFPTQAULA-ZMLRMANQSA-N 1 3 237.347 0.480 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282439 590306847 /nfs/dbraw/zinc/30/68/47/590306847.db2.gz LWJUKACJYUTIJD-GHMZBOCLSA-N 1 3 223.320 0.091 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285356 590307284 /nfs/dbraw/zinc/30/72/84/590307284.db2.gz ZXCGXNPMDVYVDG-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO O=C(N1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@]1(F)CCNC1 ZINC000877287116 590307429 /nfs/dbraw/zinc/30/74/29/590307429.db2.gz JEQJPNQXVSOPII-NHCYSSNCSA-N 1 3 241.310 0.041 20 0 BCADHO CC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346393 590318875 /nfs/dbraw/zinc/31/88/75/590318875.db2.gz CLRZNRKCUGZXEV-ZDUSSCGKSA-N 1 3 247.342 0.427 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877379509 590320023 /nfs/dbraw/zinc/32/00/23/590320023.db2.gz JADBHNTTYFAGQP-JBLDHEPKSA-N 1 3 225.336 0.038 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386460 590320629 /nfs/dbraw/zinc/32/06/29/590320629.db2.gz RMTAIWNLHPLJML-AAEUAGOBSA-N 1 3 248.330 0.661 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(N)CCCC1)C2 ZINC000877380234 590320677 /nfs/dbraw/zinc/32/06/77/590320677.db2.gz YEMUKVRSWXEUJI-CMPLNLGQSA-N 1 3 237.347 0.326 20 0 BCADHO CCCN(C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391044 590322044 /nfs/dbraw/zinc/32/20/44/590322044.db2.gz MAMONKIYHVSBKF-AAEUAGOBSA-N 1 3 239.363 0.729 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391081 590322253 /nfs/dbraw/zinc/32/22/53/590322253.db2.gz MLQBBYSAXATDDX-SOCHQFKDSA-N 1 3 247.289 0.370 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391503 590322297 /nfs/dbraw/zinc/32/22/97/590322297.db2.gz OGTATBVWLSSVSI-GAFUQQFSSA-N 1 3 237.347 0.528 20 0 BCADHO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@]1(F)CCNC1 ZINC000877398015 590322934 /nfs/dbraw/zinc/32/29/34/590322934.db2.gz ADZDIPSELRNMJN-WCQGTBRESA-N 1 3 241.310 0.089 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877438255 590328047 /nfs/dbraw/zinc/32/80/47/590328047.db2.gz MIXWFXPUVHWXEQ-LLVKDONJSA-N 1 3 229.368 0.947 20 0 BCADHO CNCC(=O)N(C)CCCCCC[NH3+] ZINC000877444770 590328638 /nfs/dbraw/zinc/32/86/38/590328638.db2.gz PXOMNAHPMLKGTJ-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000877451501 590329766 /nfs/dbraw/zinc/32/97/66/590329766.db2.gz OTFKHKBOYUATMO-VWYCJHECSA-N 1 3 223.320 0.043 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879573655 590811759 /nfs/dbraw/zinc/81/17/59/590811759.db2.gz PJGBNSUXYPKZJP-IJLUTSLNSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879573655 590811760 /nfs/dbraw/zinc/81/17/60/590811760.db2.gz PJGBNSUXYPKZJP-IJLUTSLNSA-N 1 3 228.336 0.020 20 0 BCADHO CC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879573771 590814704 /nfs/dbraw/zinc/81/47/04/590814704.db2.gz RCUJKGZVFOUZPS-WOPDTQHZSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879573771 590814707 /nfs/dbraw/zinc/81/47/07/590814707.db2.gz RCUJKGZVFOUZPS-WOPDTQHZSA-N 1 3 212.337 0.783 20 0 BCADHO CN1CC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000879580583 590822373 /nfs/dbraw/zinc/82/23/73/590822373.db2.gz UHLDXAQOPZTRTB-JHJVBQTASA-N 1 3 224.348 0.783 20 0 BCADHO CN1CC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@H]21 ZINC000879580583 590822375 /nfs/dbraw/zinc/82/23/75/590822375.db2.gz UHLDXAQOPZTRTB-JHJVBQTASA-N 1 3 224.348 0.783 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880132933 590934638 /nfs/dbraw/zinc/93/46/38/590934638.db2.gz RDMGQQYBVDBKOD-VXGBXAGGSA-N 1 3 239.363 0.633 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880132933 590934640 /nfs/dbraw/zinc/93/46/40/590934640.db2.gz RDMGQQYBVDBKOD-VXGBXAGGSA-N 1 3 239.363 0.633 20 0 BCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C/C=C\Cl)C1 ZINC000214349075 591550059 /nfs/dbraw/zinc/55/00/59/591550059.db2.gz NHAJOYNDNATXMF-GQPNGRKGSA-N 1 3 245.754 0.526 20 0 BCADHO [NH3+]C[C@@H](NCCn1cnnn1)C1CCCCC1 ZINC000883429813 591660435 /nfs/dbraw/zinc/66/04/35/591660435.db2.gz FTLWRWJPYJGOBO-LLVKDONJSA-N 1 3 238.339 0.170 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@H](F)CN1 ZINC000883429611 591660684 /nfs/dbraw/zinc/66/06/84/591660684.db2.gz AHFQOCBJMDKKFY-GUBZILKMSA-N 1 3 217.332 0.649 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883441219 591668569 /nfs/dbraw/zinc/66/85/69/591668569.db2.gz KCBUACNVPLZROE-AXTSPUMRSA-N 1 3 215.316 0.402 20 0 BCADHO COc1cccc([C@H]2CNCCN2CCC[NH3+])c1 ZINC000883455801 591672193 /nfs/dbraw/zinc/67/21/93/591672193.db2.gz LCEGWDZIVPVPRM-CQSZACIVSA-N 1 3 249.358 0.990 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131860427 591672615 /nfs/dbraw/zinc/67/26/15/591672615.db2.gz XVXNZRRLRBIHKC-LPEHRKFASA-N 1 3 213.325 0.179 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC([NH3+])CC1 ZINC000884005082 591792713 /nfs/dbraw/zinc/79/27/13/591792713.db2.gz SXKRBTYEOQQCKN-SNVBAGLBSA-N 1 3 211.309 0.064 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCCNCC1 ZINC000884009444 591796540 /nfs/dbraw/zinc/79/65/40/591796540.db2.gz WOTZBOIDGOSESD-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000884013711 591799212 /nfs/dbraw/zinc/79/92/12/591799212.db2.gz QLOJIPMBJPJZGK-OUAUKWLOSA-N 1 3 243.351 0.079 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000884030199 591814086 /nfs/dbraw/zinc/81/40/86/591814086.db2.gz JAXVNOXWCIJCAK-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884035205 591817910 /nfs/dbraw/zinc/81/79/10/591817910.db2.gz UPXYPAZWWJSJGN-YPMHNXCESA-N 1 3 241.379 0.994 20 0 BCADHO COCC[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000884040813 591823167 /nfs/dbraw/zinc/82/31/67/591823167.db2.gz DYFKFGHJIVXHDQ-QWRGUYRKSA-N 1 3 245.367 0.182 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000133757627 591852885 /nfs/dbraw/zinc/85/28/85/591852885.db2.gz WQIZOFPXCINEGR-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NCCN1CCCC1 ZINC000884180195 591869074 /nfs/dbraw/zinc/86/90/74/591869074.db2.gz PSEGOXAMPKPLGC-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000884196531 591872254 /nfs/dbraw/zinc/87/22/54/591872254.db2.gz UFLOSEOEGOAUMM-RYUDHWBXSA-N 1 3 239.363 0.570 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)CC1CC1 ZINC000884206779 591873216 /nfs/dbraw/zinc/87/32/16/591873216.db2.gz DUDPGMJNJLGBFP-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)CC1CC1 ZINC000884206779 591873220 /nfs/dbraw/zinc/87/32/20/591873220.db2.gz DUDPGMJNJLGBFP-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO N[C@H](CC1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884238363 591878101 /nfs/dbraw/zinc/87/81/01/591878101.db2.gz ZYJCJXHLFYQPNM-NWDGAFQWSA-N 1 3 237.347 0.467 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000884244671 591881974 /nfs/dbraw/zinc/88/19/74/591881974.db2.gz JJQMNSWUDRYUCA-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@]1(CNC(=O)[C@@H](N)CC2CC2)CCC[NH2+]C1 ZINC000884246964 591883034 /nfs/dbraw/zinc/88/30/34/591883034.db2.gz DTEFBMRANXLCBF-AAEUAGOBSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884254362 591885724 /nfs/dbraw/zinc/88/57/24/591885724.db2.gz JWZVRBKQGDHIQX-IEBDPFPHSA-N 1 3 225.336 0.228 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265689 591888146 /nfs/dbraw/zinc/88/81/46/591888146.db2.gz QNSSWZSRIOXNFO-MNOVXSKESA-N 1 3 225.336 0.372 20 0 BCADHO CC1([NH3+])CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000884266335 591888431 /nfs/dbraw/zinc/88/84/31/591888431.db2.gz OKNBWBSETGRBMK-JTQLQIEISA-N 1 3 225.336 0.454 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265691 591888916 /nfs/dbraw/zinc/88/89/16/591888916.db2.gz QNSSWZSRIOXNFO-WDEREUQCSA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000884277402 591892038 /nfs/dbraw/zinc/89/20/38/591892038.db2.gz NTOZMVJXAFPPGR-NEPJUHHUSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884286285 591893033 /nfs/dbraw/zinc/89/30/33/591893033.db2.gz AVDDWQQEMAEFTQ-CNVPUSNMSA-N 1 3 239.363 0.617 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000884293274 591895725 /nfs/dbraw/zinc/89/57/25/591895725.db2.gz YSDISELIPDGFIK-DCAQKATOSA-N 1 3 245.342 0.437 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884296340 591897418 /nfs/dbraw/zinc/89/74/18/591897418.db2.gz VKHBUWPLUATVLT-PSASIEDQSA-N 1 3 213.325 0.357 20 0 BCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000884304729 591900382 /nfs/dbraw/zinc/90/03/82/591900382.db2.gz ZBJNENLGLYJQTI-SNVBAGLBSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCNC(C)(C)C1 ZINC000884304614 591900722 /nfs/dbraw/zinc/90/07/22/591900722.db2.gz VOFXELBQPUGXKY-NSHDSACASA-N 1 3 241.379 0.831 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336891 591905955 /nfs/dbraw/zinc/90/59/55/591905955.db2.gz ZGXUDLVBTKDXLW-VXGBXAGGSA-N 1 3 239.363 0.748 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347759 591908826 /nfs/dbraw/zinc/90/88/26/591908826.db2.gz DZKRTTBCTHDQJH-YIZRAAEISA-N 1 3 245.392 0.309 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347815 591908890 /nfs/dbraw/zinc/90/88/90/591908890.db2.gz HBQVGEWUNSJRCW-GUBZILKMSA-N 1 3 227.352 0.602 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884344646 591908931 /nfs/dbraw/zinc/90/89/31/591908931.db2.gz LZZMIVRCWLUKKC-YPMHNXCESA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884347218 591909072 /nfs/dbraw/zinc/90/90/72/591909072.db2.gz MQWJDDDTUMTBDQ-VIFPVBQESA-N 1 3 213.325 0.357 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358335 591912476 /nfs/dbraw/zinc/91/24/76/591912476.db2.gz OZDOGFVPWOYYEJ-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363806 591916836 /nfs/dbraw/zinc/91/68/36/591916836.db2.gz JAPUJWFNDNPXNT-HBNTYKKESA-N 1 3 241.379 0.992 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000884375807 591920201 /nfs/dbraw/zinc/92/02/01/591920201.db2.gz MMOZBIGAJDSYHQ-LLVKDONJSA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000884384642 591921845 /nfs/dbraw/zinc/92/18/45/591921845.db2.gz SIGYAHLVCJNBLT-JTQLQIEISA-N 1 3 225.336 0.359 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](N)CC1CC1 ZINC000884416104 591927701 /nfs/dbraw/zinc/92/77/01/591927701.db2.gz QLQIECQHLABTID-GHMZBOCLSA-N 1 3 227.352 0.603 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426880 591930549 /nfs/dbraw/zinc/93/05/49/591930549.db2.gz XOYSOYSLRPKGOL-WZRBSPASSA-N 1 3 237.347 0.454 20 0 BCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884430537 591931633 /nfs/dbraw/zinc/93/16/33/591931633.db2.gz SRJJBBZUIGSKNF-RYUDHWBXSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N(C)C ZINC000134528854 591934993 /nfs/dbraw/zinc/93/49/93/591934993.db2.gz MLOYHYFKXJPDNS-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CC1CC1 ZINC000884458299 591940092 /nfs/dbraw/zinc/94/00/92/591940092.db2.gz BBRHNFVHKJDSKF-FKTZTGRPSA-N 1 3 211.309 0.062 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000884461013 591941121 /nfs/dbraw/zinc/94/11/21/591941121.db2.gz RDEKBEKYMYOOMV-QWKFWESOSA-N 1 3 237.347 0.596 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886010839 592130023 /nfs/dbraw/zinc/13/00/23/592130023.db2.gz QMQZENVUQJBGQF-MWLCHTKSSA-N 1 3 236.306 0.886 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886010839 592130025 /nfs/dbraw/zinc/13/00/25/592130025.db2.gz QMQZENVUQJBGQF-MWLCHTKSSA-N 1 3 236.306 0.886 20 0 BCADHO C[N@@H+]1CC[C@@H](N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886249042 592185385 /nfs/dbraw/zinc/18/53/85/592185385.db2.gz BKHXVXANWCMNKY-KKOKHZNYSA-N 1 3 242.363 0.333 20 0 BCADHO C[N@H+]1CC[C@@H](N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886249042 592185386 /nfs/dbraw/zinc/18/53/86/592185386.db2.gz BKHXVXANWCMNKY-KKOKHZNYSA-N 1 3 242.363 0.333 20 0 BCADHO CN(C[C@@H]1C[C@@]12CCOC2)C1CC([NH3+])C1 ZINC000886838321 592358178 /nfs/dbraw/zinc/35/81/78/592358178.db2.gz VJEKRDUEJNWNLJ-WNYYMSAVSA-N 1 3 210.321 0.835 20 0 BCADHO c1nnn2c1CN(CC[C@@H]1CC[NH2+]C1)CCC2 ZINC000886858302 592369287 /nfs/dbraw/zinc/36/92/87/592369287.db2.gz VQEJROVNINQWAW-NSHDSACASA-N 1 3 235.335 0.483 20 0 BCADHO c1nnn2c1CN(CC[C@H]1CC[NH2+]C1)CCC2 ZINC000886858301 592369655 /nfs/dbraw/zinc/36/96/55/592369655.db2.gz VQEJROVNINQWAW-LLVKDONJSA-N 1 3 235.335 0.483 20 0 BCADHO CN(C)CCCNC(=[NH2+])NCC(F)F ZINC000887345715 592484020 /nfs/dbraw/zinc/48/40/20/592484020.db2.gz AUXXLTKUTVYAHH-UHFFFAOYSA-N 1 3 208.256 0.317 20 0 BCADHO CN1CCC[C@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887354028 592486881 /nfs/dbraw/zinc/48/68/81/592486881.db2.gz MZIPFCQACDICKI-LLVKDONJSA-N 1 3 224.352 0.852 20 0 BCADHO CN1CCC[C@@H](CNC(=[NH2+])NCC2CC2)C1 ZINC000887354029 592487045 /nfs/dbraw/zinc/48/70/45/592487045.db2.gz MZIPFCQACDICKI-NSHDSACASA-N 1 3 224.352 0.852 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)CC[N@@H+]1C ZINC000302708633 592551992 /nfs/dbraw/zinc/55/19/92/592551992.db2.gz XNUOOYHIHAKRRA-USWWRNFRSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)CC[N@H+]1C ZINC000302708633 592551994 /nfs/dbraw/zinc/55/19/94/592551994.db2.gz XNUOOYHIHAKRRA-USWWRNFRSA-N 1 3 239.363 0.713 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925703940 634381454 /nfs/dbraw/zinc/38/14/54/634381454.db2.gz WMWXJFBXIFYCCR-JXUBOQSCSA-N 1 3 223.320 0.110 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000925707605 634396226 /nfs/dbraw/zinc/39/62/26/634396226.db2.gz LXZMBKSKKMUAKH-DTWKUNHWSA-N 1 3 233.306 0.714 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925708186 634397997 /nfs/dbraw/zinc/39/79/97/634397997.db2.gz GMIMUFXLCGRTPU-NNYUYHANSA-N 1 3 242.363 0.896 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CNC(=O)C1 ZINC000925841230 635506638 /nfs/dbraw/zinc/50/66/38/635506638.db2.gz ZQFKKKJSTQAAJO-GARJFASQSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000236685615 635603991 /nfs/dbraw/zinc/60/39/91/635603991.db2.gz XTPPGQIEJHNXPZ-JTQLQIEISA-N 1 3 229.368 0.864 20 0 BCADHO C[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000308735722 631558197 /nfs/dbraw/zinc/55/81/97/631558197.db2.gz ZUYYQPGKNOMMSW-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC1CC1)[NH+](C)C ZINC000308811973 631665182 /nfs/dbraw/zinc/66/51/82/631665182.db2.gz HMVYUZZIVAEUDO-WPRPVWTQSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)OCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000308806108 631667096 /nfs/dbraw/zinc/66/70/96/631667096.db2.gz FYVGARYRHKBILL-NWDGAFQWSA-N 1 3 212.337 0.953 20 0 BCADHO COC[C@@H](C)NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004787 631903504 /nfs/dbraw/zinc/90/35/04/631903504.db2.gz ZUGSSHGJPPXZJF-GHMZBOCLSA-N 1 3 242.367 0.477 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000308849927 631918995 /nfs/dbraw/zinc/91/89/95/631918995.db2.gz MNFNGTZKMNPEEW-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000310489822 632749024 /nfs/dbraw/zinc/74/90/24/632749024.db2.gz GXHDJUXXTUJHDI-NWDGAFQWSA-N 1 3 240.347 0.823 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310489822 632749028 /nfs/dbraw/zinc/74/90/28/632749028.db2.gz GXHDJUXXTUJHDI-NWDGAFQWSA-N 1 3 240.347 0.823 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](CO)CCF ZINC000926655336 632778315 /nfs/dbraw/zinc/77/83/15/632778315.db2.gz MDKLOYHBASBLSP-FBTJUVTCSA-N 1 3 230.327 0.637 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC1CC1)[N@H+](C)C1CC1 ZINC000310190351 636005188 /nfs/dbraw/zinc/00/51/88/636005188.db2.gz XSKJDSJIUARBSK-BXKDBHETSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC1CC1)[N@@H+](C)C1CC1 ZINC000310190351 636005191 /nfs/dbraw/zinc/00/51/91/636005191.db2.gz XSKJDSJIUARBSK-BXKDBHETSA-N 1 3 239.363 0.713 20 0 BCADHO C([C@H]1CCC[NH2+]1)N1CCN(C2CCC2)CC1 ZINC000328367488 633758637 /nfs/dbraw/zinc/75/86/37/633758637.db2.gz CSOPWMCJNQVYOU-GFCCVEGCSA-N 1 3 223.364 0.909 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925511430 633852272 /nfs/dbraw/zinc/85/22/72/633852272.db2.gz MVBUKNHEQSQUCY-OUAUKWLOSA-N 1 3 235.335 0.526 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925511430 633852277 /nfs/dbraw/zinc/85/22/77/633852277.db2.gz MVBUKNHEQSQUCY-OUAUKWLOSA-N 1 3 235.335 0.526 20 0 BCADHO CN(C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000309982518 634024381 /nfs/dbraw/zinc/02/43/81/634024381.db2.gz CHNTTXHAFYOESP-QWHCGFSZSA-N 1 3 242.363 0.411 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236692361 634095451 /nfs/dbraw/zinc/09/54/51/634095451.db2.gz TXFKHYQAZRRMQC-GHMZBOCLSA-N 1 3 227.352 0.557 20 0 BCADHO O[C@H](CNC[C@@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000310552625 634160778 /nfs/dbraw/zinc/16/07/78/634160778.db2.gz VANFEJNNSSRBGM-CHWSQXEVSA-N 1 3 242.363 0.194 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CCNC1=O ZINC000925777106 635258670 /nfs/dbraw/zinc/25/86/70/635258670.db2.gz LFBKPVOCLJQMRP-GHMZBOCLSA-N 1 3 240.351 0.119 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925777106 635258674 /nfs/dbraw/zinc/25/86/74/635258674.db2.gz LFBKPVOCLJQMRP-GHMZBOCLSA-N 1 3 240.351 0.119 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCO[C@@H]1CCOC1 ZINC000925873447 635588881 /nfs/dbraw/zinc/58/88/81/635588881.db2.gz AGECSNLSFRENNH-JHJVBQTASA-N 1 3 242.363 0.770 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCO[C@@H]1CCOC1 ZINC000925873457 635589964 /nfs/dbraw/zinc/58/99/64/635589964.db2.gz AGECSNLSFRENNH-UPJWGTAASA-N 1 3 242.363 0.770 20 0 BCADHO C[C@H](NCCO[C@@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925874410 635594365 /nfs/dbraw/zinc/59/43/65/635594365.db2.gz JIZFZAQIGIYQPT-YNEHKIRRSA-N 1 3 242.363 0.770 20 0 BCADHO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CCC[C@H]1CN)CC2 ZINC000925893492 635619187 /nfs/dbraw/zinc/61/91/87/635619187.db2.gz OOUQPCUCZPKVNZ-HBNTYKKESA-N 1 3 249.362 0.389 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@H](C)N1CCCCCC1 ZINC000237357130 636751553 /nfs/dbraw/zinc/75/15/53/636751553.db2.gz NYJPONZHXAHPBW-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCO[C@@H](CN[C@@H](COC)C1CC1)C[NH+](C)C ZINC000926961191 636973916 /nfs/dbraw/zinc/97/39/16/636973916.db2.gz IFRYEURYYCRWOI-STQMWFEESA-N 1 3 244.379 0.968 20 0 BCADHO CCO[C@H](CN[C@@H](C)[C@H](C)OC)C[NH+](C)C ZINC000926966213 636976458 /nfs/dbraw/zinc/97/64/58/636976458.db2.gz WACPCKVVRTXECW-SDDRHHMPSA-N 1 3 232.368 0.966 20 0 BCADHO CCO[C@H](CN[C@H](C)[C@H](C)OC)C[NH+](C)C ZINC000926966209 636975904 /nfs/dbraw/zinc/97/59/04/636975904.db2.gz WACPCKVVRTXECW-GRYCIOLGSA-N 1 3 232.368 0.966 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1COCCO1 ZINC000924723857 637036318 /nfs/dbraw/zinc/03/63/18/637036318.db2.gz MPKMIVVJGYHLOG-DAAZQVBGSA-N 1 3 240.347 0.332 20 0 BCADHO COCCCN(CCOC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000111273367 637098048 /nfs/dbraw/zinc/09/80/48/637098048.db2.gz FYAYVWAYJYEFRF-OLZOCXBDSA-N 1 3 244.379 0.827 20 0 BCADHO C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCSCC1 ZINC000903722968 637379347 /nfs/dbraw/zinc/37/93/47/637379347.db2.gz FNHDMYKARHWYGX-RYUDHWBXSA-N 1 3 242.388 0.804 20 0 BCADHO CC(C)C[C@H](N)C[NH2+][C@@]1(C)CCNC1=O ZINC000904469281 637424286 /nfs/dbraw/zinc/42/42/86/637424286.db2.gz LANRRQQEUOKYGI-ONGXEEELSA-N 1 3 213.325 0.228 20 0 BCADHO CCO[C@@H](CNC[C@@H](O)C1CC1)C[NH+](C)C ZINC000905580747 637853935 /nfs/dbraw/zinc/85/39/35/637853935.db2.gz PHNIBFMCJFRGEI-NWDGAFQWSA-N 1 3 230.352 0.314 20 0 BCADHO CCC[C@@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000905585703 637855519 /nfs/dbraw/zinc/85/55/19/637855519.db2.gz AITSJCNQWVXHOD-CHWSQXEVSA-N 1 3 244.379 0.582 20 0 BCADHO CCC[C@@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905585703 637855524 /nfs/dbraw/zinc/85/55/24/637855524.db2.gz AITSJCNQWVXHOD-CHWSQXEVSA-N 1 3 244.379 0.582 20 0 BCADHO C[N@H+](C[C@H](O)CNCC[C@@H](O)C1CC1)C1CC1 ZINC000905689486 637884059 /nfs/dbraw/zinc/88/40/59/637884059.db2.gz ARWXIABBWKRXAE-CHWSQXEVSA-N 1 3 242.363 0.192 20 0 BCADHO C[N@@H+](C[C@H](O)CNCC[C@@H](O)C1CC1)C1CC1 ZINC000905689486 637884063 /nfs/dbraw/zinc/88/40/63/637884063.db2.gz ARWXIABBWKRXAE-CHWSQXEVSA-N 1 3 242.363 0.192 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000906091976 638048299 /nfs/dbraw/zinc/04/82/99/638048299.db2.gz RJSASJYUNOAJFW-GMTAPVOTSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000906092020 638048524 /nfs/dbraw/zinc/04/85/24/638048524.db2.gz SCVXTOXHTFCQNP-GMTAPVOTSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000906092192 638048836 /nfs/dbraw/zinc/04/88/36/638048836.db2.gz UPIPMFDCNKRXJO-DJLDLDEBSA-N 1 3 201.314 0.212 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000906091974 638049567 /nfs/dbraw/zinc/04/95/67/638049567.db2.gz RJSASJYUNOAJFW-GARJFASQSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000906092313 638052032 /nfs/dbraw/zinc/05/20/32/638052032.db2.gz KURLBDPVAZLQPB-UTUOFQBUSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652382 639710481 /nfs/dbraw/zinc/71/04/81/639710481.db2.gz PWRSKOURODOWBG-AEJSXWLSSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674991 639715429 /nfs/dbraw/zinc/71/54/29/639715429.db2.gz ZGGXQDVMQGWLSU-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737864 639765437 /nfs/dbraw/zinc/76/54/37/639765437.db2.gz DAUCJXQPOGNTPN-GARJFASQSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000911739916 639767624 /nfs/dbraw/zinc/76/76/24/639767624.db2.gz DEPVFLHLDRNPEE-GUBZILKMSA-N 1 3 215.341 0.603 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)C[C@@H](C)CC ZINC000911751033 639776757 /nfs/dbraw/zinc/77/67/57/639776757.db2.gz TUGUJXQOLIUCHR-VHSXEESVSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762064 639788482 /nfs/dbraw/zinc/78/84/82/639788482.db2.gz KVFWWLLLYZSXDQ-BDAKNGLRSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911788876 639805086 /nfs/dbraw/zinc/80/50/86/639805086.db2.gz SHAZPHISFRVDFX-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787817 639805623 /nfs/dbraw/zinc/80/56/23/639805623.db2.gz VULOJFOBHBKZAL-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CN1C[C@H]2CC[N@H+](C[C@H]3CCCN3C)[C@H]2C1 ZINC000930543813 639808404 /nfs/dbraw/zinc/80/84/04/639808404.db2.gz GUJARTOPKBMCGI-UPJWGTAASA-N 1 3 223.364 0.717 20 0 BCADHO CN1C[C@H]2CC[N@@H+](C[C@H]3CCCN3C)[C@H]2C1 ZINC000930543813 639808405 /nfs/dbraw/zinc/80/84/05/639808405.db2.gz GUJARTOPKBMCGI-UPJWGTAASA-N 1 3 223.364 0.717 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])C[C@@H](C)N1 ZINC000911795720 639808674 /nfs/dbraw/zinc/80/86/74/639808674.db2.gz KUISYYGHJAFFJN-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911799012 639820498 /nfs/dbraw/zinc/82/04/98/639820498.db2.gz FLYZGTNJUHZUNE-KOLCDFICSA-N 1 3 245.392 0.310 20 0 BCADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911798851 639820922 /nfs/dbraw/zinc/82/09/22/639820922.db2.gz XHMFPAAGKWVXKK-NNYUYHANSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801646 639824460 /nfs/dbraw/zinc/82/44/60/639824460.db2.gz FJRQUYNXJPMFBE-NDMJEZRESA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869529 639853602 /nfs/dbraw/zinc/85/36/02/639853602.db2.gz WMIHKBSJNMQOAL-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC(=O)O3)C[C@H]21 ZINC000931277062 640124645 /nfs/dbraw/zinc/12/46/45/640124645.db2.gz HGQZHOYTHDICTE-SVDPJWKOSA-N 1 3 224.304 0.184 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCC(=O)O3)C[C@H]21 ZINC000931277062 640124651 /nfs/dbraw/zinc/12/46/51/640124651.db2.gz HGQZHOYTHDICTE-SVDPJWKOSA-N 1 3 224.304 0.184 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCO[C@H]3CCOC3)C[C@H]21 ZINC000931278510 640128016 /nfs/dbraw/zinc/12/80/16/640128016.db2.gz ZCTRWRRNIOZQHF-WUHRBBMRSA-N 1 3 240.347 0.284 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCO[C@H]3CCOC3)C[C@H]21 ZINC000931278510 640128021 /nfs/dbraw/zinc/12/80/21/640128021.db2.gz ZCTRWRRNIOZQHF-WUHRBBMRSA-N 1 3 240.347 0.284 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCc3cncn3C)C[C@H]21 ZINC000931281062 640132452 /nfs/dbraw/zinc/13/24/52/640132452.db2.gz MYEGGRBTNWBUHR-ITGUQSILSA-N 1 3 234.347 0.454 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCc3cncn3C)C[C@H]21 ZINC000931281062 640132458 /nfs/dbraw/zinc/13/24/58/640132458.db2.gz MYEGGRBTNWBUHR-ITGUQSILSA-N 1 3 234.347 0.454 20 0 BCADHO Cn1cc(CCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nn1 ZINC000931441451 640205610 /nfs/dbraw/zinc/20/56/10/640205610.db2.gz ITKIFLGXACQHKI-NEPJUHHUSA-N 1 3 249.362 0.241 20 0 BCADHO Cn1cc(CCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)nn1 ZINC000931441451 640205611 /nfs/dbraw/zinc/20/56/11/640205611.db2.gz ITKIFLGXACQHKI-NEPJUHHUSA-N 1 3 249.362 0.241 20 0 BCADHO Cn1cc(CC[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)nn1 ZINC000933735286 640757472 /nfs/dbraw/zinc/75/74/72/640757472.db2.gz UYFPAVPASYCGOU-YPMHNXCESA-N 1 3 249.362 0.241 20 0 BCADHO Cn1cc(CC[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)nn1 ZINC000933735286 640757476 /nfs/dbraw/zinc/75/74/76/640757476.db2.gz UYFPAVPASYCGOU-YPMHNXCESA-N 1 3 249.362 0.241 20 0 BCADHO OCCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000226834844 640799433 /nfs/dbraw/zinc/79/94/33/640799433.db2.gz GABALRLUAXTOFN-RYUDHWBXSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CCNC2=O)CC[N@@H+]1C ZINC000158109923 640806163 /nfs/dbraw/zinc/80/61/63/640806163.db2.gz GQXVTZVLTGISIL-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CCNC2=O)CC[N@H+]1C ZINC000158109923 640806167 /nfs/dbraw/zinc/80/61/67/640806167.db2.gz GQXVTZVLTGISIL-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@]1(CO)CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000723032404 711496250 /nfs/dbraw/zinc/49/62/50/711496250.db2.gz LDFZTECUQOVUFR-OLZOCXBDSA-N 1 3 242.363 0.290 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532297 640878484 /nfs/dbraw/zinc/87/84/84/640878484.db2.gz XTSSTOLYHNXFKC-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@]1(C(=O)NCCN2CCCC2)CC[NH2+]C1 ZINC000062890624 641105933 /nfs/dbraw/zinc/10/59/33/641105933.db2.gz HSWWDDORUFAUBQ-LBPRGKRZSA-N 1 3 225.336 0.198 20 0 BCADHO C1CC1[C@@H]1OCC[C@H]1NC1CC[NH2+]CC1 ZINC000232569362 641301210 /nfs/dbraw/zinc/30/12/10/641301210.db2.gz PJYUWVOIZWNLIN-NEPJUHHUSA-N 1 3 210.321 0.896 20 0 BCADHO C1CC1[C@@H]1OCC[C@H]1[NH2+]C1CCNCC1 ZINC000232569362 641301215 /nfs/dbraw/zinc/30/12/15/641301215.db2.gz PJYUWVOIZWNLIN-NEPJUHHUSA-N 1 3 210.321 0.896 20 0 BCADHO CN(CC[NH+](C)C)c1ccncc1CO ZINC000088110301 641315889 /nfs/dbraw/zinc/31/58/89/641315889.db2.gz JQRWYEKJQMOLJY-UHFFFAOYSA-N 1 3 209.293 0.572 20 0 BCADHO CN1CCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630034 641434491 /nfs/dbraw/zinc/43/44/91/641434491.db2.gz WLWRFPVBOQIYQE-JTQLQIEISA-N 1 3 223.320 0.045 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC000913760939 641468344 /nfs/dbraw/zinc/46/83/44/641468344.db2.gz UJWGLDYEHQOEMF-CMPLNLGQSA-N 1 3 248.330 0.505 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC000913760939 641468348 /nfs/dbraw/zinc/46/83/48/641468348.db2.gz UJWGLDYEHQOEMF-CMPLNLGQSA-N 1 3 248.330 0.505 20 0 BCADHO CC(C)COCCN1CC[C@H](C[NH3+])C1 ZINC000158916978 641658511 /nfs/dbraw/zinc/65/85/11/641658511.db2.gz UKPRKDKDCJSWAR-LLVKDONJSA-N 1 3 200.326 0.940 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153187092 641718320 /nfs/dbraw/zinc/71/83/20/641718320.db2.gz NSWYNXPHBZHRKT-GMTAPVOTSA-N 1 3 227.352 0.569 20 0 BCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200244 642323633 /nfs/dbraw/zinc/32/36/33/642323633.db2.gz FWUGUXJYAGRZIO-NEPJUHHUSA-N 1 3 239.363 0.633 20 0 BCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200244 642323639 /nfs/dbraw/zinc/32/36/39/642323639.db2.gz FWUGUXJYAGRZIO-NEPJUHHUSA-N 1 3 239.363 0.633 20 0 BCADHO CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967709066 642802318 /nfs/dbraw/zinc/80/23/18/642802318.db2.gz VCQBMNOFVGHHSZ-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000969076919 642822842 /nfs/dbraw/zinc/82/28/42/642822842.db2.gz FPZMPFCDPGANAM-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@H+](C[C@@H](O)COCC)C1CCNCC1 ZINC000069280008 642845346 /nfs/dbraw/zinc/84/53/46/642845346.db2.gz JOOIKUSYMJPLAH-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO CCC[N@@H+](C[C@@H](O)COCC)C1CCNCC1 ZINC000069280008 642845348 /nfs/dbraw/zinc/84/53/48/642845348.db2.gz JOOIKUSYMJPLAH-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971720 643015236 /nfs/dbraw/zinc/01/52/36/643015236.db2.gz PNLQSZOKSSDTDR-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001018966610 643017165 /nfs/dbraw/zinc/01/71/65/643017165.db2.gz NOUYZUHILJVCHJ-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001019035029 643019609 /nfs/dbraw/zinc/01/96/09/643019609.db2.gz WMIFZBDTPUGBKU-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000969955693 643256237 /nfs/dbraw/zinc/25/62/37/643256237.db2.gz RMJFZQFYTMXSOP-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000969986313 643263483 /nfs/dbraw/zinc/26/34/83/643263483.db2.gz WMIFZBDTPUGBKU-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO Cn1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1=O ZINC000843346356 643345692 /nfs/dbraw/zinc/34/56/92/643345692.db2.gz FJNACVPZKYSHFZ-LBPRGKRZSA-N 1 3 235.331 0.556 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000084216447 643651147 /nfs/dbraw/zinc/65/11/47/643651147.db2.gz ZIPRWWDQCIMXOS-RYUDHWBXSA-N 1 3 222.336 0.990 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1CCCC[C@H]1CN ZINC000923282394 644315240 /nfs/dbraw/zinc/31/52/40/644315240.db2.gz VILVTEGKYBAQPA-UWVGGRQHSA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@@H](O)C[N@H+]1CCCC[C@H]1CN ZINC000923282394 644315247 /nfs/dbraw/zinc/31/52/47/644315247.db2.gz VILVTEGKYBAQPA-UWVGGRQHSA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000923279167 644310728 /nfs/dbraw/zinc/31/07/28/644310728.db2.gz GWWNIUQPNKRFBA-AXFHLTTASA-N 1 3 232.393 0.912 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000923279167 644310735 /nfs/dbraw/zinc/31/07/35/644310735.db2.gz GWWNIUQPNKRFBA-AXFHLTTASA-N 1 3 232.393 0.912 20 0 BCADHO CSC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923279429 644311852 /nfs/dbraw/zinc/31/18/52/644311852.db2.gz AQKBPISKKGCBNM-VHSXEESVSA-N 1 3 218.366 0.381 20 0 BCADHO CC(C)COC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923279853 644312797 /nfs/dbraw/zinc/31/27/97/644312797.db2.gz DQVNKGZDFGDJSJ-QWHCGFSZSA-N 1 3 244.379 0.691 20 0 BCADHO CCOCC[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923290194 644324181 /nfs/dbraw/zinc/32/41/81/644324181.db2.gz VLQBYJXREZPXOM-XQQFMLRXSA-N 1 3 244.379 0.833 20 0 BCADHO CN(CCC[NH3+])C[C@@H](O)Cc1ccccc1 ZINC000923290370 644324292 /nfs/dbraw/zinc/32/42/92/644324292.db2.gz IILKGGGTFSUHGM-ZDUSSCGKSA-N 1 3 222.332 0.871 20 0 BCADHO CN(C[C@H](O)Cn1cccn1)CC(C)(C)C[NH3+] ZINC000923294426 644331682 /nfs/dbraw/zinc/33/16/82/644331682.db2.gz LNSGXMUBWAWJGS-NSHDSACASA-N 1 3 240.351 0.161 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)Cn1cccn1 ZINC000923295802 644332484 /nfs/dbraw/zinc/33/24/84/644332484.db2.gz HSBLRNHVWIOLJO-RYUDHWBXSA-N 1 3 240.351 0.207 20 0 BCADHO C[C@](C[NH3+])(NCCO[C@@H]1CCOC1)C1CC1 ZINC000923295759 644332688 /nfs/dbraw/zinc/33/26/88/644332688.db2.gz GLCLKUGFNGDBPV-VXGBXAGGSA-N 1 3 228.336 0.509 20 0 BCADHO CSC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923295131 644332910 /nfs/dbraw/zinc/33/29/10/644332910.db2.gz UTPWWQHUUKAKDX-VIFPVBQESA-N 1 3 220.382 0.627 20 0 BCADHO CC(C)[C@](C)(CN)[NH2+]C[C@@H](O)C(F)(F)F ZINC000923295550 644333171 /nfs/dbraw/zinc/33/31/71/644333171.db2.gz CLCMOYONHGEHHT-SFYZADRCSA-N 1 3 228.258 0.873 20 0 BCADHO C([C@H]1CC2(C[NH2+]C2)CO1)N1CCCOCC1 ZINC000923306466 644339762 /nfs/dbraw/zinc/33/97/62/644339762.db2.gz LJOWMLKYHYJNSA-LLVKDONJSA-N 1 3 226.320 0.087 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195119610 644362206 /nfs/dbraw/zinc/36/22/06/644362206.db2.gz WNVADWVUWPZHDJ-JTQLQIEISA-N 1 3 213.325 0.276 20 0 BCADHO CCOC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923367594 644377488 /nfs/dbraw/zinc/37/74/88/644377488.db2.gz IJJDXAZJUWLRQY-ZJUUUORDSA-N 1 3 218.341 0.347 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000923345876 644364849 /nfs/dbraw/zinc/36/48/49/644364849.db2.gz QVMBVYORMHYUJS-RWMBFGLXSA-N 1 3 244.379 0.833 20 0 BCADHO Cc1nc(C(C)C)ccc1CNC(CN)C[NH3+] ZINC000923358437 644367383 /nfs/dbraw/zinc/36/73/83/644367383.db2.gz BVUPVKABYYDRBB-UHFFFAOYSA-N 1 3 236.363 0.889 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923357681 644368186 /nfs/dbraw/zinc/36/81/86/644368186.db2.gz ZWCSCAWZYUGUBM-RYUDHWBXSA-N 1 3 230.352 0.445 20 0 BCADHO NCC(C[NH3+])NCCOc1ccc(F)cc1 ZINC000923351433 644368359 /nfs/dbraw/zinc/36/83/59/644368359.db2.gz HTUDRDOVSNZEDF-UHFFFAOYSA-N 1 3 227.283 0.080 20 0 BCADHO C[C@H]1CCCC[C@H]1OCCNC(CN)C[NH3+] ZINC000923352192 644369373 /nfs/dbraw/zinc/36/93/73/644369373.db2.gz QIONQQOATSZPBV-CMPLNLGQSA-N 1 3 229.368 0.457 20 0 BCADHO C[C@@H]1CCCC[C@@H]1OCCNC(CN)C[NH3+] ZINC000923352194 644370315 /nfs/dbraw/zinc/37/03/15/644370315.db2.gz QIONQQOATSZPBV-PWSUYJOCSA-N 1 3 229.368 0.457 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1ccc(F)c(F)c1 ZINC000923352310 644370457 /nfs/dbraw/zinc/37/04/57/644370457.db2.gz ULMQDOLKCWYSJT-ZETCQYMHSA-N 1 3 229.274 0.901 20 0 BCADHO NCC(CN)[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000923356542 644371153 /nfs/dbraw/zinc/37/11/53/644371153.db2.gz MWLIFZMOBVFQGQ-UONOGXRCSA-N 1 3 249.358 0.782 20 0 BCADHO Cc1ccc(CNC(CN)C[NH3+])nc1Cl ZINC000923355621 644372099 /nfs/dbraw/zinc/37/20/99/644372099.db2.gz BSYNGVYBTVGDGO-UHFFFAOYSA-N 1 3 228.727 0.419 20 0 BCADHO CC(C)(C)c1nc(CNC(CN)C[NH3+])cs1 ZINC000923354452 644372146 /nfs/dbraw/zinc/37/21/46/644372146.db2.gz PDQXFKFHTDNOCS-UHFFFAOYSA-N 1 3 242.392 0.816 20 0 BCADHO COc1ccc(CNC(CN)C[NH3+])cc1Cl ZINC000923354836 644373603 /nfs/dbraw/zinc/37/36/03/644373603.db2.gz WEBMBNCMKWOZDD-UHFFFAOYSA-N 1 3 243.738 0.724 20 0 BCADHO NCC(C[NH3+])NCc1scnc1Cl ZINC000923356982 644374976 /nfs/dbraw/zinc/37/49/76/644374976.db2.gz SNWOTBIYGXBZTG-UHFFFAOYSA-N 1 3 220.729 0.172 20 0 BCADHO CCOC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923367593 644377274 /nfs/dbraw/zinc/37/72/74/644377274.db2.gz IJJDXAZJUWLRQY-VHSXEESVSA-N 1 3 218.341 0.347 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)Cn1cccn1 ZINC000923366868 644377679 /nfs/dbraw/zinc/37/76/79/644377679.db2.gz ABYJWQWQIIFKEY-MNOVXSKESA-N 1 3 240.351 0.207 20 0 BCADHO CCOCC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923370439 644380413 /nfs/dbraw/zinc/38/04/13/644380413.db2.gz OTAXJELWXLEKCR-NEPJUHHUSA-N 1 3 244.379 0.752 20 0 BCADHO CCOCC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923370439 644380415 /nfs/dbraw/zinc/38/04/15/644380415.db2.gz OTAXJELWXLEKCR-NEPJUHHUSA-N 1 3 244.379 0.752 20 0 BCADHO CSC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923368980 644381294 /nfs/dbraw/zinc/38/12/94/644381294.db2.gz IHCMBTPMADSJIH-NXEZZACHSA-N 1 3 232.393 0.688 20 0 BCADHO CSC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923368980 644381300 /nfs/dbraw/zinc/38/13/00/644381300.db2.gz IHCMBTPMADSJIH-NXEZZACHSA-N 1 3 232.393 0.688 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H](c3ccccn3)C2)C1 ZINC000923369113 644382222 /nfs/dbraw/zinc/38/22/22/644382222.db2.gz HQUXWJUSHMDKJV-IMIFBBOLSA-N 1 3 247.342 0.722 20 0 BCADHO CCOCC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923371224 644383097 /nfs/dbraw/zinc/38/30/97/644383097.db2.gz VWRKOAGIKOBPNE-GHMZBOCLSA-N 1 3 232.368 0.737 20 0 BCADHO CSC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923371075 644383987 /nfs/dbraw/zinc/38/39/87/644383987.db2.gz VBKXREFGVYJJIT-RKDXNWHRSA-N 1 3 220.382 0.673 20 0 BCADHO NCC(C[NH3+])NCc1cccc(C(F)F)c1 ZINC000923359471 644384380 /nfs/dbraw/zinc/38/43/80/644384380.db2.gz QOJURQADHNAJHT-UHFFFAOYSA-N 1 3 229.274 1.000 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923371277 644385050 /nfs/dbraw/zinc/38/50/50/644385050.db2.gz WTADKBGOHUEWRW-VXGBXAGGSA-N 1 3 244.379 0.750 20 0 BCADHO CC(C)OC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923371277 644385053 /nfs/dbraw/zinc/38/50/53/644385053.db2.gz WTADKBGOHUEWRW-VXGBXAGGSA-N 1 3 244.379 0.750 20 0 BCADHO CCOCCOCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375416 644389382 /nfs/dbraw/zinc/38/93/82/644389382.db2.gz LVOZQISSKGUXPM-QWHCGFSZSA-N 1 3 244.379 0.956 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923375675 644389746 /nfs/dbraw/zinc/38/97/46/644389746.db2.gz OYEKNWLFCRZLRS-XQQFMLRXSA-N 1 3 244.379 0.691 20 0 BCADHO C[C@H](CO)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923387422 644397709 /nfs/dbraw/zinc/39/77/09/644397709.db2.gz NNDIBKFTOGBKOL-IXOXFDKPSA-N 1 3 242.363 0.177 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000923393521 644402989 /nfs/dbraw/zinc/40/29/89/644402989.db2.gz SAKLEDXKJZRVIT-AVGNSLFASA-N 1 3 244.379 0.974 20 0 BCADHO CSC[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923414214 644416134 /nfs/dbraw/zinc/41/61/34/644416134.db2.gz KKNDQUIPQOCZGS-IJLUTSLNSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923414217 644416539 /nfs/dbraw/zinc/41/65/39/644416539.db2.gz KKNDQUIPQOCZGS-QJPTWQEYSA-N 1 3 244.404 0.784 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423600 644419599 /nfs/dbraw/zinc/41/95/99/644419599.db2.gz XWXDQUZLHZUWFC-GMTAPVOTSA-N 1 3 230.352 0.488 20 0 BCADHO CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923423600 644419601 /nfs/dbraw/zinc/41/96/01/644419601.db2.gz XWXDQUZLHZUWFC-GMTAPVOTSA-N 1 3 230.352 0.488 20 0 BCADHO COC[C@H](O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923429273 644422503 /nfs/dbraw/zinc/42/25/03/644422503.db2.gz YJQADAQGUOYFTQ-CHWSQXEVSA-N 1 3 242.363 0.459 20 0 BCADHO CO[C@@H](C[NH+]1CCNCCNCC1)C1CCC1 ZINC000923459767 644436349 /nfs/dbraw/zinc/43/63/49/644436349.db2.gz FTDUDRKXLIDMIC-ZDUSSCGKSA-N 1 3 241.379 0.296 20 0 BCADHO Cc1ccccc1CN1CCNCC[NH2+]CC1 ZINC000923466657 644444295 /nfs/dbraw/zinc/44/42/95/644444295.db2.gz SUJQUODUSHAYHO-UHFFFAOYSA-N 1 3 233.359 0.990 20 0 BCADHO C[C@H]1CN(Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923491444 644466880 /nfs/dbraw/zinc/46/68/80/644466880.db2.gz RWYPOZOWDSNGIU-WDEREUQCSA-N 1 3 222.336 0.837 20 0 BCADHO C[C@@H]1C[N@H+](C[C@H]2CCO[C@H]2C)C[C@H]1CN ZINC000923515326 644479244 /nfs/dbraw/zinc/47/92/44/644479244.db2.gz QMBRGXJYFHNQBJ-WRWGMCAJSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@H]2CCO[C@H]2C)C[C@H]1CN ZINC000923515326 644479248 /nfs/dbraw/zinc/47/92/48/644479248.db2.gz QMBRGXJYFHNQBJ-WRWGMCAJSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)CC[C@H]1C[NH3+] ZINC000251838998 644826969 /nfs/dbraw/zinc/82/69/69/644826969.db2.gz QGXAUDIGTGGZKQ-MNOVXSKESA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CN(CC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000251863177 644828144 /nfs/dbraw/zinc/82/81/44/644828144.db2.gz SRKDFMAGSNMQQL-ZJUUUORDSA-N 1 3 225.336 0.182 20 0 BCADHO CON(C)C(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000819106859 645004926 /nfs/dbraw/zinc/00/49/26/645004926.db2.gz ZGIVETWXQIAWME-WDEREUQCSA-N 1 3 243.351 0.469 20 0 BCADHO CON(C)C(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819106859 645004929 /nfs/dbraw/zinc/00/49/29/645004929.db2.gz ZGIVETWXQIAWME-WDEREUQCSA-N 1 3 243.351 0.469 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@H](O)C(F)F ZINC000926782443 645428062 /nfs/dbraw/zinc/42/80/62/645428062.db2.gz BEXRQGLHJLANNW-JDUUOCRZSA-N 1 3 248.317 0.932 20 0 BCADHO COC(=O)[C@]1(F)CCN(CC[C@H]2CC[NH2+]C2)C1 ZINC000852753176 645487958 /nfs/dbraw/zinc/48/79/58/645487958.db2.gz AIKWNVBHFUNALY-PWSUYJOCSA-N 1 3 244.310 0.573 20 0 BCADHO CN1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000123570305 645760807 /nfs/dbraw/zinc/76/08/07/645760807.db2.gz XCFFIUXOPOUKBR-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H]1C ZINC000884271639 645873045 /nfs/dbraw/zinc/87/30/45/645873045.db2.gz IBNOMPCSEREVPX-QXEWZRGKSA-N 1 3 225.336 0.323 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637767 646215338 /nfs/dbraw/zinc/21/53/38/646215338.db2.gz ONLBWFUMYNXMNM-CHWSQXEVSA-N 1 3 242.363 0.675 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637767 646215345 /nfs/dbraw/zinc/21/53/45/646215345.db2.gz ONLBWFUMYNXMNM-CHWSQXEVSA-N 1 3 242.363 0.675 20 0 BCADHO Cc1nccn1CCC[NH2+][C@@H]1CNCCOC1 ZINC000925473695 646289391 /nfs/dbraw/zinc/28/93/91/646289391.db2.gz OKYUKVLKBGKAMV-GFCCVEGCSA-N 1 3 238.335 0.160 20 0 BCADHO Cc1nccn1CCCN[C@@H]1C[NH2+]CCOC1 ZINC000925473695 646289394 /nfs/dbraw/zinc/28/93/94/646289394.db2.gz OKYUKVLKBGKAMV-GFCCVEGCSA-N 1 3 238.335 0.160 20 0 BCADHO CCCN1CCC([N@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929779282 646308282 /nfs/dbraw/zinc/30/82/82/646308282.db2.gz YNMQEMHKNMIKLM-DGCLKSJQSA-N 1 3 244.379 0.534 20 0 BCADHO CCCN1CCC([N@@H+](C)C[C@@H](O)[C@@H](C)O)CC1 ZINC000929779282 646308287 /nfs/dbraw/zinc/30/82/87/646308287.db2.gz YNMQEMHKNMIKLM-DGCLKSJQSA-N 1 3 244.379 0.534 20 0 BCADHO CC1(C)C[C@@H](N[C@H]2CCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925534566 646320527 /nfs/dbraw/zinc/32/05/27/646320527.db2.gz MXGPDVMWYKKBPG-VWYCJHECSA-N 1 3 239.363 0.761 20 0 BCADHO CC1CCN(CCN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925547389 646327190 /nfs/dbraw/zinc/32/71/90/646327190.db2.gz OGFGSQDUQNWXRP-CYBMUJFWSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@@H]1NCCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000925555728 646330804 /nfs/dbraw/zinc/33/08/04/646330804.db2.gz ITHDAOYJGCGADS-WDEREUQCSA-N 1 3 235.335 0.619 20 0 BCADHO CCn1cnnc1CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925575101 646342323 /nfs/dbraw/zinc/34/23/23/646342323.db2.gz UXVBEIMCINECDN-GHMZBOCLSA-N 1 3 249.362 0.700 20 0 BCADHO CN1C[C@H](N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593103 646348108 /nfs/dbraw/zinc/34/81/08/646348108.db2.gz CVSJVYXWBLRGJY-GARJFASQSA-N 1 3 239.363 0.713 20 0 BCADHO CN1C[C@H](N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593108 646349468 /nfs/dbraw/zinc/34/94/68/646349468.db2.gz CVSJVYXWBLRGJY-OUAUKWLOSA-N 1 3 239.363 0.713 20 0 BCADHO C1=CC[C@H](CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925618611 646350564 /nfs/dbraw/zinc/35/05/64/646350564.db2.gz XAAMUQIOZJXWJV-NWDGAFQWSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848471 646357803 /nfs/dbraw/zinc/35/78/03/646357803.db2.gz SJVWFSQPQMNIHD-UMSGYPCISA-N 1 3 242.363 0.144 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848471 646357809 /nfs/dbraw/zinc/35/78/09/646357809.db2.gz SJVWFSQPQMNIHD-UMSGYPCISA-N 1 3 242.363 0.144 20 0 BCADHO OCCN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925613606 646363624 /nfs/dbraw/zinc/36/36/24/646363624.db2.gz ZUUQLHDECIOAJN-NEPJUHHUSA-N 1 3 212.337 0.737 20 0 BCADHO OCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925613606 646363627 /nfs/dbraw/zinc/36/36/27/646363627.db2.gz ZUUQLHDECIOAJN-NEPJUHHUSA-N 1 3 212.337 0.737 20 0 BCADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621752 646368101 /nfs/dbraw/zinc/36/81/01/646368101.db2.gz NKCDODAAYVBDOQ-MXWKQRLJSA-N 1 3 247.346 0.452 20 0 BCADHO N[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621752 646368106 /nfs/dbraw/zinc/36/81/06/646368106.db2.gz NKCDODAAYVBDOQ-MXWKQRLJSA-N 1 3 247.346 0.452 20 0 BCADHO C[C@H]([NH3+])[C@H](NC[C@H]1CNCCO1)c1ccccc1 ZINC000925706194 646431097 /nfs/dbraw/zinc/43/10/97/646431097.db2.gz MKZOEVPOKMOIAG-YUTCNCBUSA-N 1 3 249.358 0.653 20 0 BCADHO C[C@H]([NH3+])[C@@H](NC[C@H]1CNCCO1)c1ccccc1 ZINC000925706190 646431419 /nfs/dbraw/zinc/43/14/19/646431419.db2.gz MKZOEVPOKMOIAG-IACUBPJLSA-N 1 3 249.358 0.653 20 0 BCADHO Nc1ccnc(CN[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000925765782 646466241 /nfs/dbraw/zinc/46/62/41/646466241.db2.gz FHFWPGLLORQFSN-QWRGUYRKSA-N 1 3 206.293 0.633 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCc1cc(N)ccn1 ZINC000925765506 646466374 /nfs/dbraw/zinc/46/63/74/646466374.db2.gz CQFCPRFOZOHIQQ-BDAKNGLRSA-N 1 3 208.309 0.879 20 0 BCADHO OC[C@@H](C[C@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000925768475 646469169 /nfs/dbraw/zinc/46/91/69/646469169.db2.gz VLJFRLLUQUBNBU-VXGBXAGGSA-N 1 3 228.336 0.258 20 0 BCADHO OC[C@@H](C[C@H]1CCCO1)[NH2+]C1CCNCC1 ZINC000925768475 646469173 /nfs/dbraw/zinc/46/91/73/646469173.db2.gz VLJFRLLUQUBNBU-VXGBXAGGSA-N 1 3 228.336 0.258 20 0 BCADHO C[C@H](N[C@H](CO)C[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000925769246 646470722 /nfs/dbraw/zinc/47/07/22/646470722.db2.gz ZZGFMQSELQAUNS-CYDGBPFRSA-N 1 3 242.363 0.504 20 0 BCADHO C[C@@H](N[C@@H]1CCO[C@H]1C1CC1)C1C[NH2+]C1 ZINC000925824433 646492284 /nfs/dbraw/zinc/49/22/84/646492284.db2.gz SWSGAYOCGRIVGO-FXAINCCUSA-N 1 3 210.321 0.751 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842355 646507469 /nfs/dbraw/zinc/50/74/69/646507469.db2.gz LZPJRQIJNKUKLJ-HOSYDEDBSA-N 1 3 225.336 0.372 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000925891574 646533582 /nfs/dbraw/zinc/53/35/82/646533582.db2.gz WDZZPLJVFZWGBB-CKYFFXLPSA-N 1 3 238.335 0.171 20 0 BCADHO CCOC(=O)[C@@H](CC)N1CC[C@H](CC[NH3+])C1 ZINC000723713675 711536001 /nfs/dbraw/zinc/53/60/01/711536001.db2.gz XGUVZBBMJRHKJE-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO CCOC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723907915 711544808 /nfs/dbraw/zinc/54/48/08/711544808.db2.gz OTLNDGGCBSMCIV-OUAUKWLOSA-N 1 3 228.336 0.855 20 0 BCADHO CO[C@@H]1CCOC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000724887087 711625481 /nfs/dbraw/zinc/62/54/81/711625481.db2.gz NXRFNZYOJFLZPD-YNEHKIRRSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCCCN1 ZINC000925875595 711761518 /nfs/dbraw/zinc/76/15/18/711761518.db2.gz VDAWFQCAPFRWDJ-AVGNSLFASA-N 1 3 242.363 0.912 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 ZINC000069724255 711893510 /nfs/dbraw/zinc/89/35/10/711893510.db2.gz XWESNKIIEFVGEG-BDAKNGLRSA-N 1 3 240.269 0.970 20 0 BCADHO COC(=O)N(C)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000701925301 712033881 /nfs/dbraw/zinc/03/38/81/712033881.db2.gz SOOLNOWZAXZELI-MNOVXSKESA-N 1 3 243.351 0.792 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000701925301 712033883 /nfs/dbraw/zinc/03/38/83/712033883.db2.gz SOOLNOWZAXZELI-MNOVXSKESA-N 1 3 243.351 0.792 20 0 BCADHO C[C@H](O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702278031 712044597 /nfs/dbraw/zinc/04/45/97/712044597.db2.gz KALDZIHSRXNECK-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702278031 712044599 /nfs/dbraw/zinc/04/45/99/712044599.db2.gz KALDZIHSRXNECK-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO CSC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000708274565 712184614 /nfs/dbraw/zinc/18/46/14/712184614.db2.gz PJUCGZQAKNYJEI-CXQJBGSLSA-N 1 3 244.404 0.927 20 0 BCADHO C[N@H+](C[C@@H](O)CN)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695618 712216055 /nfs/dbraw/zinc/21/60/55/712216055.db2.gz GNRCNHFSSXZJLZ-QWRGUYRKSA-N 1 3 244.379 0.832 20 0 BCADHO C[N@@H+](C[C@@H](O)CN)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695618 712216056 /nfs/dbraw/zinc/21/60/56/712216056.db2.gz GNRCNHFSSXZJLZ-QWRGUYRKSA-N 1 3 244.379 0.832 20 0 BCADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712558488 712445681 /nfs/dbraw/zinc/44/56/81/712445681.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712558488 712445683 /nfs/dbraw/zinc/44/56/83/712445683.db2.gz PQRCPAHXDWTULI-JHJVBQTASA-N 1 3 223.364 0.907 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCF ZINC000716744565 712571887 /nfs/dbraw/zinc/57/18/87/712571887.db2.gz CCANWLFHVHQDRC-LLVKDONJSA-N 1 3 220.332 0.979 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCF ZINC000716744565 712571888 /nfs/dbraw/zinc/57/18/88/712571888.db2.gz CCANWLFHVHQDRC-LLVKDONJSA-N 1 3 220.332 0.979 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029465 712800227 /nfs/dbraw/zinc/80/02/27/712800227.db2.gz ACBMTIJIOPACQO-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720904073 712875827 /nfs/dbraw/zinc/87/58/27/712875827.db2.gz WGWKBLQNRYCSSF-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720896767 712876560 /nfs/dbraw/zinc/87/65/60/712876560.db2.gz DNYZAMFRMPHSFK-IJLUTSLNSA-N 1 3 239.363 0.680 20 0 BCADHO O[C@@H](CN[C@@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173798 712894507 /nfs/dbraw/zinc/89/45/07/712894507.db2.gz FXOVZSYWVVOUJI-NWDGAFQWSA-N 1 3 224.348 0.975 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1ccc(F)cc1 ZINC000381267709 710615245 /nfs/dbraw/zinc/61/52/45/710615245.db2.gz UPUWXLKEKPVFSX-QMMMGPOBSA-N 1 3 211.284 0.762 20 0 BCADHO CC(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030340 710718432 /nfs/dbraw/zinc/71/84/32/710718432.db2.gz YVUQKLFPAIXYRN-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030340 710718435 /nfs/dbraw/zinc/71/84/35/710718435.db2.gz YVUQKLFPAIXYRN-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(CCCS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000723909398 710734574 /nfs/dbraw/zinc/73/45/74/710734574.db2.gz NVSLTXNGUGIHFU-GHMZBOCLSA-N 1 3 248.392 0.338 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)CCC[NH2+]C1CC1 ZINC000382528965 710972503 /nfs/dbraw/zinc/97/25/03/710972503.db2.gz IYSPRZUGSNFZTD-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC2CC2)C1 ZINC000389664465 711085657 /nfs/dbraw/zinc/08/56/57/711085657.db2.gz STKMIYKSQJWWQN-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC2CC2)C1 ZINC000389664465 711085659 /nfs/dbraw/zinc/08/56/59/711085659.db2.gz STKMIYKSQJWWQN-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)CN(C)C ZINC000390299726 711111964 /nfs/dbraw/zinc/11/19/64/711111964.db2.gz CBAATHGAYAVCPX-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C(N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1CCOCC1 ZINC000392787912 711152362 /nfs/dbraw/zinc/15/23/62/711152362.db2.gz BIFGFYJJPZYMQH-QSLWVIQJSA-N 1 3 236.359 0.999 20 0 BCADHO CC[C@H]1CN(C(COC)COC)CC[C@H]1[NH3+] ZINC000395339116 711209019 /nfs/dbraw/zinc/20/90/19/711209019.db2.gz ARNBANXJCXOXEO-CMPLNLGQSA-N 1 3 230.352 0.707 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCC(C(N)=O)CC1 ZINC000396580113 711357149 /nfs/dbraw/zinc/35/71/49/711357149.db2.gz FAUQZFIVOIJVGK-YYJSSNLHSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCN1CCOCC1 ZINC000396615092 711360493 /nfs/dbraw/zinc/36/04/93/711360493.db2.gz SCBMUDAEABAILO-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCC1(CO)CC1 ZINC000396645280 711362804 /nfs/dbraw/zinc/36/28/04/711362804.db2.gz BYKUTBHWONTIDL-WDEREUQCSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[C@H]1O ZINC000396708385 711367663 /nfs/dbraw/zinc/36/76/63/711367663.db2.gz PQAGLFVTFNDLQW-FIQHERPVSA-N 1 3 212.337 0.878 20 0 BCADHO CCOC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000309061086 711585815 /nfs/dbraw/zinc/58/58/15/711585815.db2.gz VXTZSZSVAWWENH-QWRGUYRKSA-N 1 3 216.325 0.055 20 0 BCADHO COCCCN1CCCO[C@H](C[NH3+])C1 ZINC000313353211 711717864 /nfs/dbraw/zinc/71/78/64/711717864.db2.gz PAQUZSVTPKLCDV-SNVBAGLBSA-N 1 3 202.298 0.073 20 0 BCADHO CC(C)CNC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000160054547 711805712 /nfs/dbraw/zinc/80/57/12/711805712.db2.gz JFMKNSGSWVSQHH-NSHDSACASA-N 1 3 227.352 0.429 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@H](CCF)C2)C1 ZINC000700588753 711999227 /nfs/dbraw/zinc/99/92/27/711999227.db2.gz VSKSRRMKVUERFI-OUAUKWLOSA-N 1 3 216.300 0.784 20 0 BCADHO CO[C@](C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000705352003 712130275 /nfs/dbraw/zinc/13/02/75/712130275.db2.gz HITUCWJNUNEKMZ-WVMKXHBISA-N 1 3 242.363 0.599 20 0 BCADHO C[C@H]1COC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463326 712222426 /nfs/dbraw/zinc/22/24/26/712222426.db2.gz DUZLLFAQGBMEGE-LAVVOLMRSA-N 1 3 210.321 0.894 20 0 BCADHO CCc1ccccc1CNC(CN)C[NH3+] ZINC000710087199 712245159 /nfs/dbraw/zinc/24/51/59/712245159.db2.gz WKWKBOFFUWPTRZ-UHFFFAOYSA-N 1 3 207.321 0.625 20 0 BCADHO COC1(OC)CC[C@@H]1NCCOCC[NH+](C)C ZINC000710995776 712273461 /nfs/dbraw/zinc/27/34/61/712273461.db2.gz NQIWHIYQJADWIB-NSHDSACASA-N 1 3 246.351 0.306 20 0 BCADHO COC1(OC)CC[C@H]1NCCOCC[NH+](C)C ZINC000710995772 712273699 /nfs/dbraw/zinc/27/36/99/712273699.db2.gz NQIWHIYQJADWIB-LLVKDONJSA-N 1 3 246.351 0.306 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711308647 712294088 /nfs/dbraw/zinc/29/40/88/712294088.db2.gz AWDXRIUKKSEMHF-MNOVXSKESA-N 1 3 239.363 0.442 20 0 BCADHO NC(=O)[C@@H](c1ccccc1)N1CC[C@H](CC[NH3+])C1 ZINC000923487805 712334234 /nfs/dbraw/zinc/33/42/34/712334234.db2.gz NVYFLOLFURCTOY-WCQYABFASA-N 1 3 247.342 0.884 20 0 BCADHO CCN1CC[C@@H]1C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000712577587 712432767 /nfs/dbraw/zinc/43/27/67/712432767.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000712577587 712432768 /nfs/dbraw/zinc/43/27/68/712432768.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000712577587 712432769 /nfs/dbraw/zinc/43/27/69/712432769.db2.gz GTYNJGOTMVJWCR-OLZOCXBDSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1CCCN(CCn2cnnn2)[C@@H]1CC[NH3+] ZINC000712574852 712448291 /nfs/dbraw/zinc/44/82/91/712448291.db2.gz DNJOXHMOKWJFBS-GHMZBOCLSA-N 1 3 238.339 0.122 20 0 BCADHO CC1(CN[C@@H]2CCCC[C@H]2C[NH3+])OCCO1 ZINC000716792784 712573965 /nfs/dbraw/zinc/57/39/65/712573965.db2.gz JDUUUIUCQIFQCX-WDEREUQCSA-N 1 3 228.336 0.857 20 0 BCADHO [NH3+]C[C@H]1CCN(CCc2cccnc2)C1 ZINC000037718547 712750024 /nfs/dbraw/zinc/75/00/24/712750024.db2.gz ZUOKONJYIWGUFJ-GFCCVEGCSA-N 1 3 205.305 0.905 20 0 BCADHO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CN(C)C2CC2)CCN1C ZINC000719634349 712815160 /nfs/dbraw/zinc/81/51/60/712815160.db2.gz BLGYUSGOPPUTFS-RTXFEEFZSA-N 1 3 241.379 0.124 20 0 BCADHO C[C@@H]1[C@H](NC[C@@H](O)C[NH+]2CCCC2)CCN1C ZINC000719640693 712818939 /nfs/dbraw/zinc/81/89/39/712818939.db2.gz KYFVFYGXQDJKKD-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO C[N@H+](C[C@@H](O)CNC[C@H]1CCC=CO1)C1CC1 ZINC000380232978 712835287 /nfs/dbraw/zinc/83/52/87/712835287.db2.gz RUTTXZVAYXWDTJ-QWHCGFSZSA-N 1 3 240.347 0.724 20 0 BCADHO C[N@@H+](C[C@@H](O)CNC[C@H]1CCC=CO1)C1CC1 ZINC000380232978 712835288 /nfs/dbraw/zinc/83/52/88/712835288.db2.gz RUTTXZVAYXWDTJ-QWHCGFSZSA-N 1 3 240.347 0.724 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720898764 712875335 /nfs/dbraw/zinc/87/53/35/712875335.db2.gz LDQCHINXUBFPQF-BJDJZHNGSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720898766 712875440 /nfs/dbraw/zinc/87/54/40/712875440.db2.gz LDQCHINXUBFPQF-FIQHERPVSA-N 1 3 239.363 0.665 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901454 712875833 /nfs/dbraw/zinc/87/58/33/712875833.db2.gz SALRTASNGGPNAT-DDHJBXDOSA-N 1 3 237.347 0.419 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904082 712876148 /nfs/dbraw/zinc/87/61/48/712876148.db2.gz WOYQZWDYQAPBGX-NWDGAFQWSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720895500 712876854 /nfs/dbraw/zinc/87/68/54/712876854.db2.gz XWGJZHOOZNRBSB-KXUCPTDWSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720895500 712876857 /nfs/dbraw/zinc/87/68/57/712876857.db2.gz XWGJZHOOZNRBSB-KXUCPTDWSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720895500 712876859 /nfs/dbraw/zinc/87/68/59/712876859.db2.gz XWGJZHOOZNRBSB-KXUCPTDWSA-N 1 3 211.309 0.029 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(c2cc(CN)ncn2)C1 ZINC000383876384 721889138 /nfs/dbraw/zinc/88/91/38/721889138.db2.gz BYPUVJVGOFWLLY-LLVKDONJSA-N 1 3 235.335 0.466 20 0 BCADHO CN(CCNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000062010189 349436695 /nfs/dbraw/zinc/43/66/95/349436695.db2.gz KNUNDHMRHZYAEL-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000228765320 168321815 /nfs/dbraw/zinc/32/18/15/168321815.db2.gz MFDHLWFVXMXZFT-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649322655 398144612 /nfs/dbraw/zinc/14/46/12/398144612.db2.gz CTSBPLBCNJVZFY-NDBYEHHHSA-N 1 3 249.358 0.052 20 0 BCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649322627 398144637 /nfs/dbraw/zinc/14/46/37/398144637.db2.gz AUCQBSUMAHAYQY-LPWJVIDDSA-N 1 3 249.358 0.337 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153239004 136212781 /nfs/dbraw/zinc/21/27/81/136212781.db2.gz PXVOZVYZVUQVSD-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000153239004 136212782 /nfs/dbraw/zinc/21/27/82/136212782.db2.gz PXVOZVYZVUQVSD-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000649342228 398158719 /nfs/dbraw/zinc/15/87/19/398158719.db2.gz VEAFVWBFRIOJGL-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649341938 398159023 /nfs/dbraw/zinc/15/90/23/398159023.db2.gz AYWZTVUXDRRRBF-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1C ZINC000649333346 398149859 /nfs/dbraw/zinc/14/98/59/398149859.db2.gz NQNHGZLCUPKNKP-RNWYCLNJSA-N 1 3 237.347 0.051 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649335037 398152441 /nfs/dbraw/zinc/15/24/41/398152441.db2.gz AJWOPASRQJASKX-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000649335046 398152495 /nfs/dbraw/zinc/15/24/95/398152495.db2.gz ARIVPEUHHDRKNJ-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000649341526 398157973 /nfs/dbraw/zinc/15/79/73/398157973.db2.gz DKZSJFLXDQPWSM-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348656 398162208 /nfs/dbraw/zinc/16/22/08/398162208.db2.gz PXGIMJUDZMXHSG-VXJWHYQWSA-N 1 3 249.358 0.336 20 0 BCADHO CC(C)CN(CC[C@@H]1CC[NH2+]C1)CC(N)=O ZINC000396740386 398167149 /nfs/dbraw/zinc/16/71/49/398167149.db2.gz OWMSCBRZKHVKIC-NSHDSACASA-N 1 3 227.352 0.429 20 0 BCADHO CC(C)(N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000576236658 365532292 /nfs/dbraw/zinc/53/22/92/365532292.db2.gz YZVRBKPAWJITRM-UHFFFAOYSA-N 1 3 225.336 0.454 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446391554 398204312 /nfs/dbraw/zinc/20/43/12/398204312.db2.gz AGLLMHYGVAPDAD-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446396497 398204540 /nfs/dbraw/zinc/20/45/40/398204540.db2.gz KCOBAGYGJZXEGU-MNOVXSKESA-N 1 3 227.352 0.713 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000576291659 365555337 /nfs/dbraw/zinc/55/53/37/365555337.db2.gz OQNWUJBSVUZESM-KKOKHZNYSA-N 1 3 239.363 0.761 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000576291659 365555342 /nfs/dbraw/zinc/55/53/42/365555342.db2.gz OQNWUJBSVUZESM-KKOKHZNYSA-N 1 3 239.363 0.761 20 0 BCADHO CN(C[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000649412604 398215070 /nfs/dbraw/zinc/21/50/70/398215070.db2.gz WWIDQCBKOCXMSE-YPMHNXCESA-N 1 3 223.364 0.764 20 0 BCADHO Cc1noc(CCCN2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000576346688 365571581 /nfs/dbraw/zinc/57/15/81/365571581.db2.gz VNBGPJQGKZHYHM-MWLCHTKSSA-N 1 3 238.335 0.980 20 0 BCADHO CC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H](C)O ZINC000386680846 398216166 /nfs/dbraw/zinc/21/61/66/398216166.db2.gz IFBUMRZMDJKMBW-WOPDTQHZSA-N 1 3 230.352 0.192 20 0 BCADHO N[C@@H](CNC(=O)C[NH2+]CC1CC1)c1ccccc1 ZINC000262596852 398216373 /nfs/dbraw/zinc/21/63/73/398216373.db2.gz VMKWFJLWXWEUOR-ZDUSSCGKSA-N 1 3 247.342 0.802 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CCN1C ZINC000576361078 365577733 /nfs/dbraw/zinc/57/77/33/365577733.db2.gz MMLJVUSBFHDLNO-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000262441355 187330861 /nfs/dbraw/zinc/33/08/61/187330861.db2.gz NHBBVGPMASSEFJ-NSHDSACASA-N 1 3 235.331 0.410 20 0 BCADHO CC(C)(C[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000262946680 187331586 /nfs/dbraw/zinc/33/15/86/187331586.db2.gz BYRDRIQJAAZKJK-LLVKDONJSA-N 1 3 235.331 0.930 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972912 192028619 /nfs/dbraw/zinc/02/86/19/192028619.db2.gz NUVZVGABGFADQH-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418365734 192028753 /nfs/dbraw/zinc/02/87/53/192028753.db2.gz FEUXMUOICBOFGZ-GARJFASQSA-N 1 3 242.367 0.234 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418396190 192033050 /nfs/dbraw/zinc/03/30/50/192033050.db2.gz ZKYUDCXILVGZJN-LLVKDONJSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430759002 398230888 /nfs/dbraw/zinc/23/08/88/398230888.db2.gz FAWGICLFOIDAFB-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430759002 398230890 /nfs/dbraw/zinc/23/08/90/398230890.db2.gz FAWGICLFOIDAFB-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO CN(CC(=O)NCC[N@H+](C)C1CC1)C1CCC1 ZINC000629952155 361796933 /nfs/dbraw/zinc/79/69/33/361796933.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CC(=O)NCC[N@@H+](C)C1CC1)C1CCC1 ZINC000629952155 361796935 /nfs/dbraw/zinc/79/69/35/361796935.db2.gz KMTDDEOYJRQVIC-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC000629955751 361799928 /nfs/dbraw/zinc/79/99/28/361799928.db2.gz MIJKSRHYPSPIAB-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC000629955751 361799933 /nfs/dbraw/zinc/79/99/33/361799933.db2.gz MIJKSRHYPSPIAB-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]1CN(CCN2CCC(C[NH3+])CC2)CCO1 ZINC000576465525 365603811 /nfs/dbraw/zinc/60/38/11/365603811.db2.gz DXQIXMXAQJJPIE-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]1OCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336778246 398245340 /nfs/dbraw/zinc/24/53/40/398245340.db2.gz KUICDSLTQALJAC-GHMZBOCLSA-N 1 3 228.336 0.210 20 0 BCADHO [NH3+]CCOCCN1CC[C@@H](c2cccnc2)C1 ZINC000576584221 365630363 /nfs/dbraw/zinc/63/03/63/365630363.db2.gz BLXHHCUEEQBILB-CYBMUJFWSA-N 1 3 235.331 0.846 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)C1CCN(C)CC1 ZINC000069838818 398248980 /nfs/dbraw/zinc/24/89/80/398248980.db2.gz ZIUZUJSECMTCOG-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1OCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336778248 398245372 /nfs/dbraw/zinc/24/53/72/398245372.db2.gz KUICDSLTQALJAC-QWRGUYRKSA-N 1 3 228.336 0.210 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)CCN(C)C ZINC000418464343 192038091 /nfs/dbraw/zinc/03/80/91/192038091.db2.gz MBLDWBXRDOOSDN-NSHDSACASA-N 1 3 244.383 0.707 20 0 BCADHO Cc1c[nH+]ccc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580903392 398250697 /nfs/dbraw/zinc/25/06/97/398250697.db2.gz SRGJKTJSCFBJQU-MNOVXSKESA-N 1 3 246.314 0.138 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000381225240 398252985 /nfs/dbraw/zinc/25/29/85/398252985.db2.gz JRMBQCPCBDCADV-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000576705144 365664834 /nfs/dbraw/zinc/66/48/34/365664834.db2.gz RWWVGVVQIZCLHO-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000383687786 398258546 /nfs/dbraw/zinc/25/85/46/398258546.db2.gz SEZGRKJIFLRHPC-QWHCGFSZSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000383687786 398258548 /nfs/dbraw/zinc/25/85/48/398258548.db2.gz SEZGRKJIFLRHPC-QWHCGFSZSA-N 1 3 244.379 0.534 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC1 ZINC000576754670 365676540 /nfs/dbraw/zinc/67/65/40/365676540.db2.gz XINOWZMMSROOLS-DTWKUNHWSA-N 1 3 211.309 0.111 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334925563 398274109 /nfs/dbraw/zinc/27/41/09/398274109.db2.gz LPKCEHZERVMQOS-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219249500 342687479 /nfs/dbraw/zinc/68/74/79/342687479.db2.gz SSWZDUXQMXPMHH-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000219249500 342687480 /nfs/dbraw/zinc/68/74/80/342687480.db2.gz SSWZDUXQMXPMHH-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)NC(C)(C)CN(C)C ZINC000418488466 192041025 /nfs/dbraw/zinc/04/10/25/192041025.db2.gz KRJPJJAUMMXVBC-VIFPVBQESA-N 1 3 230.356 0.221 20 0 BCADHO NC1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000309587548 342716304 /nfs/dbraw/zinc/71/63/04/342716304.db2.gz WPRLBHQBUYQRHZ-VIFPVBQESA-N 1 3 211.309 0.065 20 0 BCADHO CCCN(C)CC(=O)NCC1([NH2+]C)CCC1 ZINC000629999829 361885033 /nfs/dbraw/zinc/88/50/33/361885033.db2.gz BDPZSFWGISAFJF-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000379994565 342797313 /nfs/dbraw/zinc/79/73/13/342797313.db2.gz VGWHDOAGFVCHKJ-CYBMUJFWSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C(C)C)CC1 ZINC000379994565 342797315 /nfs/dbraw/zinc/79/73/15/342797315.db2.gz VGWHDOAGFVCHKJ-CYBMUJFWSA-N 1 3 243.395 0.325 20 0 BCADHO C[NH+](C)CC1CCN(C[C@@H]2CCC(=O)N2)CC1 ZINC000649488957 398286089 /nfs/dbraw/zinc/28/60/89/398286089.db2.gz GRUHEISUFDUONU-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CCNC(C)(C)C1 ZINC000335621901 136239932 /nfs/dbraw/zinc/23/99/32/136239932.db2.gz BQNWFKPYVCDEPM-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]C2)CCN1 ZINC000335621938 136240028 /nfs/dbraw/zinc/24/00/28/136240028.db2.gz CKSDJIHQMDSGIB-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CCC[NH+]1CCC(NCCC(=O)NC)CC1 ZINC000044987817 538991066 /nfs/dbraw/zinc/99/10/66/538991066.db2.gz GJFZMDMKCWETKI-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO COCC(C)(C)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000379982910 538983148 /nfs/dbraw/zinc/98/31/48/538983148.db2.gz IKEBTPXFPMIZBI-GHMZBOCLSA-N 1 3 212.337 0.810 20 0 BCADHO CC(C)(C(=O)NCC[NH3+])[C@H](N)c1ccccc1 ZINC000417821938 398294654 /nfs/dbraw/zinc/29/46/54/398294654.db2.gz ZJCVKGXPDAXYMU-LLVKDONJSA-N 1 3 235.331 0.788 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000335626386 136240646 /nfs/dbraw/zinc/24/06/46/136240646.db2.gz CYUOVDYVJZPAMS-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CN1CCN(CCCC[NH2+]C2CSC2)CC1 ZINC000390561339 539026503 /nfs/dbraw/zinc/02/65/03/539026503.db2.gz RZSSSRUZPJLTPX-UHFFFAOYSA-N 1 3 243.420 0.719 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)NC(C)(C)CN(C)C ZINC000418526489 192047496 /nfs/dbraw/zinc/04/74/96/192047496.db2.gz NDUVCYWWXHMYHE-VIFPVBQESA-N 1 3 230.356 0.363 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@H]1CCC[NH2+]C1 ZINC000087646621 259325315 /nfs/dbraw/zinc/32/53/15/259325315.db2.gz LALQJOHYSQZCDC-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCNC1 ZINC000087646621 259325316 /nfs/dbraw/zinc/32/53/16/259325316.db2.gz LALQJOHYSQZCDC-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418536022 192049152 /nfs/dbraw/zinc/04/91/52/192049152.db2.gz BKVVZEJLQDTXQC-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023803 342855138 /nfs/dbraw/zinc/85/51/38/342855138.db2.gz SZPAPAYGOCOIHD-OPRDCNLKSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023803 342855139 /nfs/dbraw/zinc/85/51/39/342855139.db2.gz SZPAPAYGOCOIHD-OPRDCNLKSA-N 1 3 211.309 0.077 20 0 BCADHO COC[C@H](O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000300396282 259326921 /nfs/dbraw/zinc/32/69/21/259326921.db2.gz BIOFYVRCFHVXEV-HBNTYKKESA-N 1 3 216.325 0.243 20 0 BCADHO COC[C@H](O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396282 259326922 /nfs/dbraw/zinc/32/69/22/259326922.db2.gz BIOFYVRCFHVXEV-HBNTYKKESA-N 1 3 216.325 0.243 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000167341989 136245447 /nfs/dbraw/zinc/24/54/47/136245447.db2.gz HVGIAZIOVOLLQG-PWSUYJOCSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000167341989 136245448 /nfs/dbraw/zinc/24/54/48/136245448.db2.gz HVGIAZIOVOLLQG-PWSUYJOCSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000167341443 136245765 /nfs/dbraw/zinc/24/57/65/136245765.db2.gz NGCNSHGCDDZUGY-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCN(C)C ZINC000418556404 192050600 /nfs/dbraw/zinc/05/06/00/192050600.db2.gz OVWVWBFONPMCHE-QWRGUYRKSA-N 1 3 242.367 0.187 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)C(C)C)C1CC1 ZINC000167204898 136244992 /nfs/dbraw/zinc/24/49/92/136244992.db2.gz ZXSBTWOPQARGCI-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)C(C)C)C1CC1 ZINC000167204898 136244993 /nfs/dbraw/zinc/24/49/93/136244993.db2.gz ZXSBTWOPQARGCI-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000351474772 136246158 /nfs/dbraw/zinc/24/61/58/136246158.db2.gz GRZDOUNXLITWFK-OJAKKHQRSA-N 1 3 249.358 0.419 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)CC[NH3+] ZINC000036999069 342915118 /nfs/dbraw/zinc/91/51/18/342915118.db2.gz UXKAGXPVEUUCPG-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CCN1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000038098304 398336113 /nfs/dbraw/zinc/33/61/13/398336113.db2.gz PXEUHVMVBYGJPP-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N(C)C ZINC000038089212 398335923 /nfs/dbraw/zinc/33/59/23/398335923.db2.gz QJTLHBCIAXWPKM-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000562809425 323031233 /nfs/dbraw/zinc/03/12/33/323031233.db2.gz UTLIPHAUHYGJBQ-YTWAJWBKSA-N 1 3 225.336 0.193 20 0 BCADHO CCN1CCC(NC(=O)CCC[NH3+])CC1 ZINC000038098255 343063389 /nfs/dbraw/zinc/06/33/89/343063389.db2.gz KWNPONVQNJAENW-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@](C)(N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584880934 343081512 /nfs/dbraw/zinc/08/15/12/343081512.db2.gz BEKQRQFSQISPAF-WPRPVWTQSA-N 1 3 209.297 0.396 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236749606 343109704 /nfs/dbraw/zinc/10/97/04/343109704.db2.gz VPLCNAXDHKJJTG-MNOVXSKESA-N 1 3 227.352 0.476 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418687776 192060225 /nfs/dbraw/zinc/06/02/25/192060225.db2.gz AJUCJIZNWDPMAE-AATLWQCWSA-N 1 3 228.340 0.114 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000237042972 343121817 /nfs/dbraw/zinc/12/18/17/343121817.db2.gz XSYMVEFIXRWUAJ-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000237048722 343122005 /nfs/dbraw/zinc/12/20/05/343122005.db2.gz CVJXLITXOWGHAF-SNVBAGLBSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000237048722 343122007 /nfs/dbraw/zinc/12/20/07/343122007.db2.gz CVJXLITXOWGHAF-SNVBAGLBSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565145 343112374 /nfs/dbraw/zinc/11/23/74/343112374.db2.gz SSWZDUXQMXPMHH-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565145 343112376 /nfs/dbraw/zinc/11/23/76/343112376.db2.gz SSWZDUXQMXPMHH-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049565143 343112535 /nfs/dbraw/zinc/11/25/35/343112535.db2.gz SSWZDUXQMXPMHH-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049565143 343112538 /nfs/dbraw/zinc/11/25/38/343112538.db2.gz SSWZDUXQMXPMHH-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236997384 343117037 /nfs/dbraw/zinc/11/70/37/343117037.db2.gz YAQQAZLSDNSLLH-AXFHLTTASA-N 1 3 227.352 0.557 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)CNC1CC1 ZINC000237509350 343146969 /nfs/dbraw/zinc/14/69/69/343146969.db2.gz NNRCSPICCULLPK-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCNC(=O)CNC1CC1 ZINC000237509350 343146971 /nfs/dbraw/zinc/14/69/71/343146971.db2.gz NNRCSPICCULLPK-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000237294091 343132214 /nfs/dbraw/zinc/13/22/14/343132214.db2.gz YGURNYYKGSRVQT-NXEZZACHSA-N 1 3 245.392 0.053 20 0 BCADHO CSCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000580549943 365740249 /nfs/dbraw/zinc/74/02/49/365740249.db2.gz VVZHBBAMHWCCRI-BBBLOLIVSA-N 1 3 245.392 0.263 20 0 BCADHO CCC[C@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237034558 136272155 /nfs/dbraw/zinc/27/21/55/136272155.db2.gz VZBUCQTYHMLWGZ-MBYGNEARSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N(C)C ZINC000126877644 343171188 /nfs/dbraw/zinc/17/11/88/343171188.db2.gz ZQGMBXAAJMBCCZ-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)N(C)C ZINC000126877644 343171189 /nfs/dbraw/zinc/17/11/89/343171189.db2.gz ZQGMBXAAJMBCCZ-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CCN1C ZINC000157876827 343200149 /nfs/dbraw/zinc/20/01/49/343200149.db2.gz MVLGVVHFTDQNDO-ZYHUDNBSSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)N(C)C)C1 ZINC000168558181 343210501 /nfs/dbraw/zinc/21/05/01/343210501.db2.gz ODKKJJWPPUYQQK-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCN2CCC[C@H]2C1 ZINC000082777045 136277063 /nfs/dbraw/zinc/27/70/63/136277063.db2.gz HWSJBFKWBYQSAF-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H]1CCCCN1 ZINC000019413522 343249657 /nfs/dbraw/zinc/24/96/57/343249657.db2.gz WYZCOZZBXJSMNN-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO Cc1nccn1CCCN1CC[C@H](C[NH3+])C1 ZINC000348753825 136297002 /nfs/dbraw/zinc/29/70/02/136297002.db2.gz XXRDNPURIQQEBR-GFCCVEGCSA-N 1 3 222.336 0.862 20 0 BCADHO CC1(C)CN(C(=O)[C@]2(C)CCC[NH2+]C2)CCN1 ZINC000335627372 136299794 /nfs/dbraw/zinc/29/97/94/136299794.db2.gz QIWSIXKHFBRYBI-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000335626883 136299840 /nfs/dbraw/zinc/29/98/40/136299840.db2.gz KXUJQRXNHIROJY-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)Cc1ccccc1)[NH+](C)C ZINC000038089225 343370086 /nfs/dbraw/zinc/37/00/86/343370086.db2.gz LCGLZGUTFIYPSW-DGCLKSJQSA-N 1 3 249.358 0.623 20 0 BCADHO C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)N(C)C ZINC000038089235 343370492 /nfs/dbraw/zinc/37/04/92/343370492.db2.gz LSLNLWBYVJUJSO-SNVBAGLBSA-N 1 3 235.331 0.825 20 0 BCADHO CCN1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000038098101 343371253 /nfs/dbraw/zinc/37/12/53/343371253.db2.gz UYLPGQCHPYNUAZ-UHFFFAOYSA-N 1 3 222.336 0.994 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCn2cccn2)C1 ZINC000166221286 136310266 /nfs/dbraw/zinc/31/02/66/136310266.db2.gz BZAVZJXTDFQYTK-MNOVXSKESA-N 1 3 208.309 0.552 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCn2cccn2)C1 ZINC000166220915 136310348 /nfs/dbraw/zinc/31/03/48/136310348.db2.gz BZAVZJXTDFQYTK-WDEREUQCSA-N 1 3 208.309 0.552 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCCC1 ZINC000335662264 136315391 /nfs/dbraw/zinc/31/53/91/136315391.db2.gz IFNAFCJNOQFLJO-WDEREUQCSA-N 1 3 239.363 0.892 20 0 BCADHO Cc1ncc(CNCCOCC[NH+](C)C)cn1 ZINC000349252417 136333154 /nfs/dbraw/zinc/33/31/54/136333154.db2.gz MGUJTYBCTNQEGF-UHFFFAOYSA-N 1 3 238.335 0.453 20 0 BCADHO CCCCN(C)CCNC(=O)C1CC[NH2+]CC1 ZINC000166637333 136362075 /nfs/dbraw/zinc/36/20/75/136362075.db2.gz TYIHKJNTQKOBJA-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CCCC[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077304751 187262439 /nfs/dbraw/zinc/26/24/39/187262439.db2.gz LVGBHENZCPNJQB-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO CCCC[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077304751 187262441 /nfs/dbraw/zinc/26/24/41/187262441.db2.gz LVGBHENZCPNJQB-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420016 343530565 /nfs/dbraw/zinc/53/05/65/343530565.db2.gz LPRDYPCPWVKSST-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CNC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152478411 343557649 /nfs/dbraw/zinc/55/76/49/343557649.db2.gz MLNHWGBADINFCR-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CNC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152478411 343557651 /nfs/dbraw/zinc/55/76/51/343557651.db2.gz MLNHWGBADINFCR-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCc2cn[nH]c2)C1 ZINC000379585166 343577778 /nfs/dbraw/zinc/57/77/78/343577778.db2.gz XPGYOKJUCCUYEO-MNOVXSKESA-N 1 3 208.309 0.812 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585166 343577781 /nfs/dbraw/zinc/57/77/81/343577781.db2.gz XPGYOKJUCCUYEO-MNOVXSKESA-N 1 3 208.309 0.812 20 0 BCADHO C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000083354157 187266941 /nfs/dbraw/zinc/26/69/41/187266941.db2.gz TWCLZGCIMOJPOS-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000570215768 323053387 /nfs/dbraw/zinc/05/33/87/323053387.db2.gz KXVWDRMPGHZFKP-SNVBAGLBSA-N 1 3 225.336 0.054 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C)CC[C@@H]1C ZINC000418716274 192064050 /nfs/dbraw/zinc/06/40/50/192064050.db2.gz ZPNLXBJHWZEMLB-DCAQKATOSA-N 1 3 242.367 0.458 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261544412 349850068 /nfs/dbraw/zinc/85/00/68/349850068.db2.gz XXQABRKUHWBNPB-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261563379 349850613 /nfs/dbraw/zinc/85/06/13/349850613.db2.gz BUSXAUUSPSUJSC-OPRDCNLKSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261563379 349850614 /nfs/dbraw/zinc/85/06/14/349850614.db2.gz BUSXAUUSPSUJSC-OPRDCNLKSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1C ZINC000154669729 343745676 /nfs/dbraw/zinc/74/56/76/343745676.db2.gz GWYJYIILNQPAMY-CMPLNLGQSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@H+]1C ZINC000154669729 343745677 /nfs/dbraw/zinc/74/56/77/343745677.db2.gz GWYJYIILNQPAMY-CMPLNLGQSA-N 1 3 239.363 0.680 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000154273800 343712978 /nfs/dbraw/zinc/71/29/78/343712978.db2.gz UXBQTHSSADPGIZ-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCN1C ZINC000624335554 343717635 /nfs/dbraw/zinc/71/76/35/343717635.db2.gz VDJHLJIOBJBOQB-AVGNSLFASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335554 343717638 /nfs/dbraw/zinc/71/76/38/343717638.db2.gz VDJHLJIOBJBOQB-AVGNSLFASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335554 343717641 /nfs/dbraw/zinc/71/76/41/343717641.db2.gz VDJHLJIOBJBOQB-AVGNSLFASA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000262637347 349860835 /nfs/dbraw/zinc/86/08/35/349860835.db2.gz INDQVYNDVMPBDX-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000309091872 346963866 /nfs/dbraw/zinc/96/38/66/346963866.db2.gz BLGLUTWDGBWYLC-RKDXNWHRSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418731479 192065152 /nfs/dbraw/zinc/06/51/52/192065152.db2.gz SVYONPPIHKTRAJ-GHMZBOCLSA-N 1 3 244.383 0.704 20 0 BCADHO [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000584113030 343759450 /nfs/dbraw/zinc/75/94/50/343759450.db2.gz WYLMKWLFDBHHGR-XWLWVQCSSA-N 1 3 243.326 0.320 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000262675448 349861395 /nfs/dbraw/zinc/86/13/95/349861395.db2.gz RPGXZIJBPIOUMU-RYUDHWBXSA-N 1 3 241.379 0.690 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000040924097 187355009 /nfs/dbraw/zinc/35/50/09/187355009.db2.gz AHQJCPGVNCYNDS-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@@H](CCO)NC[C@H](O)C[NH+]1CCCC1 ZINC000634724049 343921198 /nfs/dbraw/zinc/92/11/98/343921198.db2.gz ITWNWEHSDIKFLJ-STQMWFEESA-N 1 3 244.379 0.584 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)C2(N)CCCC2)C1 ZINC000335904618 344083487 /nfs/dbraw/zinc/08/34/87/344083487.db2.gz KGIWCDBIEJSBOA-LLVKDONJSA-N 1 3 225.336 0.455 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000130333588 344131481 /nfs/dbraw/zinc/13/14/81/344131481.db2.gz ZTTAOFLPMSWUTN-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000130333588 344131482 /nfs/dbraw/zinc/13/14/82/344131482.db2.gz ZTTAOFLPMSWUTN-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO c1ncn(CCN2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000381185607 344133175 /nfs/dbraw/zinc/13/31/75/344133175.db2.gz MCMHJZSQFQQMAW-ZDUSSCGKSA-N 1 3 249.362 0.742 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000130373769 344134440 /nfs/dbraw/zinc/13/44/40/344134440.db2.gz FNCZECHNNCEUPC-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)CC ZINC000130424716 344137966 /nfs/dbraw/zinc/13/79/66/344137966.db2.gz PMBHPYKUUPICJI-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)CC ZINC000130424716 344137968 /nfs/dbraw/zinc/13/79/68/344137968.db2.gz PMBHPYKUUPICJI-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CC[C@@H](N)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000130508621 344143516 /nfs/dbraw/zinc/14/35/16/344143516.db2.gz MBKXPMZCWBFQCQ-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1C[C@@H](NCCOCCO)CC[N@@H+]1C ZINC000129749499 344214493 /nfs/dbraw/zinc/21/44/93/344214493.db2.gz SXKWBEVMVLZQQE-MNOVXSKESA-N 1 3 216.325 0.068 20 0 BCADHO C[C@@H]1C[C@@H](NCCOCCO)CC[N@H+]1C ZINC000129749499 344214495 /nfs/dbraw/zinc/21/44/95/344214495.db2.gz SXKWBEVMVLZQQE-MNOVXSKESA-N 1 3 216.325 0.068 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236649009 187289405 /nfs/dbraw/zinc/28/94/05/187289405.db2.gz GCNFKSUVZGAKQQ-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750088 344192746 /nfs/dbraw/zinc/19/27/46/344192746.db2.gz MWSLPTYDVMJODF-ZMLRMANQSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752238 344204570 /nfs/dbraw/zinc/20/45/70/344204570.db2.gz IGVXEKKCVMSWDM-VIFPVBQESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752814 344205334 /nfs/dbraw/zinc/20/53/34/344205334.db2.gz STWKFZLMZUFQAL-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000634761575 344253456 /nfs/dbraw/zinc/25/34/56/344253456.db2.gz DYBKWWPJUZTMTK-SNVBAGLBSA-N 1 3 239.363 0.762 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000131534750 344299106 /nfs/dbraw/zinc/29/91/06/344299106.db2.gz DLWBOECOZXNZAN-STQMWFEESA-N 1 3 247.342 0.377 20 0 BCADHO C[C@H](CN1CCOCC1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211324 344312265 /nfs/dbraw/zinc/31/22/65/344312265.db2.gz VTAOTEQWIJLMCJ-FRRDWIJNSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093211324 344312267 /nfs/dbraw/zinc/31/22/67/344312267.db2.gz VTAOTEQWIJLMCJ-FRRDWIJNSA-N 1 3 241.379 0.567 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210366 344312275 /nfs/dbraw/zinc/31/22/75/344312275.db2.gz GMVHTLIHGMCHSR-CHWSQXEVSA-N 1 3 241.379 0.568 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCCN2CCOCC2)C1 ZINC000093210366 344312276 /nfs/dbraw/zinc/31/22/76/344312276.db2.gz GMVHTLIHGMCHSR-CHWSQXEVSA-N 1 3 241.379 0.568 20 0 BCADHO C[NH2+]C[C@H]1CCN(CCCCC(=O)OC)C1 ZINC000600705368 344360151 /nfs/dbraw/zinc/36/01/51/344360151.db2.gz QUCFCEZESMXLLA-LLVKDONJSA-N 1 3 228.336 0.871 20 0 BCADHO COC(=O)CCCC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000600709053 344361072 /nfs/dbraw/zinc/36/10/72/344361072.db2.gz NXFOCDQSEJAQLA-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000600709053 344361074 /nfs/dbraw/zinc/36/10/74/344361074.db2.gz NXFOCDQSEJAQLA-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000600709058 344361099 /nfs/dbraw/zinc/36/10/99/344361099.db2.gz NXFOCDQSEJAQLA-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000600709058 344361101 /nfs/dbraw/zinc/36/11/01/344361101.db2.gz NXFOCDQSEJAQLA-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO CN(CCC[NH3+])C(=O)NCCN(C)C1CC1 ZINC000582133935 347045269 /nfs/dbraw/zinc/04/52/69/347045269.db2.gz VZPXKBDAGTVOIX-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO CC[NH+]1CCC(NC(=O)C(C)(C)N)CC1 ZINC000040924364 344410788 /nfs/dbraw/zinc/41/07/88/344410788.db2.gz IJMXRKHGYZRITA-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C(C)(C)[NH3+] ZINC000040920265 344410941 /nfs/dbraw/zinc/41/09/41/344410941.db2.gz GBITUVCHXRSXFZ-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000158868997 344465656 /nfs/dbraw/zinc/46/56/56/344465656.db2.gz GGIAELCFSFAUDJ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382965603 344483657 /nfs/dbraw/zinc/48/36/57/344483657.db2.gz PXTOMANLXYDBSN-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000037001228 344485177 /nfs/dbraw/zinc/48/51/77/344485177.db2.gz RWVLYNZETWRGPN-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CN1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000037117221 344495519 /nfs/dbraw/zinc/49/55/19/344495519.db2.gz MTSKKVYZLYMFFO-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N(C)CCN1CCCC1 ZINC000641413528 362403283 /nfs/dbraw/zinc/40/32/83/362403283.db2.gz JTQMCPHCIWEYKW-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000044794821 344547926 /nfs/dbraw/zinc/54/79/26/344547926.db2.gz KWHBKUNLCDOQQJ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)N)CC1 ZINC000037804611 344589964 /nfs/dbraw/zinc/58/99/64/344589964.db2.gz QUEHJZUAJYYVRR-SNVBAGLBSA-N 1 3 227.352 0.665 20 0 BCADHO CC[NH+](CC)CCN(CC(C)C)C(=O)CN ZINC000037812222 344591113 /nfs/dbraw/zinc/59/11/13/344591113.db2.gz TZWBOBISGKKLMJ-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000641424264 362408657 /nfs/dbraw/zinc/40/86/57/362408657.db2.gz IWIBYJRIKUMXJP-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000641424262 362408962 /nfs/dbraw/zinc/40/89/62/362408962.db2.gz IWIBYJRIKUMXJP-NXEZZACHSA-N 1 3 228.340 0.069 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237067583 344588520 /nfs/dbraw/zinc/58/85/20/344588520.db2.gz ORIHFUPZTXAHHN-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+](C)CCOCCO ZINC000075860319 344785838 /nfs/dbraw/zinc/78/58/38/344785838.db2.gz CJGDQQZYNVFYQC-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCOCCO ZINC000075860319 344785839 /nfs/dbraw/zinc/78/58/39/344785839.db2.gz CJGDQQZYNVFYQC-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1)C(C)C ZINC000167200212 323078242 /nfs/dbraw/zinc/07/82/42/323078242.db2.gz NZEWVYUTHAMKCO-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1)C(C)C ZINC000167200212 323078243 /nfs/dbraw/zinc/07/82/43/323078243.db2.gz NZEWVYUTHAMKCO-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+]C1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000564569042 323080109 /nfs/dbraw/zinc/08/01/09/323080109.db2.gz XMCDLZLMNWIJOQ-SSDOTTSWSA-N 1 3 239.241 0.086 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088900 537873269 /nfs/dbraw/zinc/87/32/69/537873269.db2.gz DSCHOTQXZYPWIS-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088900 537873282 /nfs/dbraw/zinc/87/32/82/537873282.db2.gz DSCHOTQXZYPWIS-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368226173 187297365 /nfs/dbraw/zinc/29/73/65/187297365.db2.gz MVFTVTHGMVRHNQ-VWYCJHECSA-N 1 3 225.336 0.180 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000583448482 344997226 /nfs/dbraw/zinc/99/72/26/344997226.db2.gz COGXHOPAOAEPLO-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000154303037 345026031 /nfs/dbraw/zinc/02/60/31/345026031.db2.gz XXNMEYNELWPRSA-FVCCEPFGSA-N 1 3 243.395 0.227 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](N)CC(F)F ZINC000574876630 345068287 /nfs/dbraw/zinc/06/82/87/345068287.db2.gz AASFQQRXFYKZDK-DJLDLDEBSA-N 1 3 249.305 0.697 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000155238937 345074714 /nfs/dbraw/zinc/07/47/14/345074714.db2.gz XBTQQLFEDXMCAZ-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N(C)C ZINC000044428441 345061988 /nfs/dbraw/zinc/06/19/88/345061988.db2.gz PKPAKTWPIZXGLS-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991590 345177610 /nfs/dbraw/zinc/17/76/10/345177610.db2.gz KCGAPGLKRADRSQ-UHFFFAOYSA-N 1 3 223.364 0.764 20 0 BCADHO CN(CC(=O)NCC[NH+](C)C)CC(C)(C)C ZINC000635068881 345237220 /nfs/dbraw/zinc/23/72/20/345237220.db2.gz MOJNLMGCOMCBLW-UHFFFAOYSA-N 1 3 229.368 0.642 20 0 BCADHO CC[C@H]1CN(CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147459646 537892286 /nfs/dbraw/zinc/89/22/86/537892286.db2.gz KBVOTZRKVWBDBI-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CCN1C ZINC000565042189 345193952 /nfs/dbraw/zinc/19/39/52/345193952.db2.gz XTJUMPKPOBKWKL-UZWSLXQKSA-N 1 3 237.347 0.337 20 0 BCADHO OCCNC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000635002812 345204566 /nfs/dbraw/zinc/20/45/66/345204566.db2.gz YZRCVWHFMCLLBK-NSHDSACASA-N 1 3 244.404 0.786 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449085087 201805309 /nfs/dbraw/zinc/80/53/09/201805309.db2.gz KENNZTNJVBQFLQ-GXSJLCMTSA-N 1 3 225.336 0.467 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635506583 345406175 /nfs/dbraw/zinc/40/61/75/345406175.db2.gz CRWNZKCJNRBOLB-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635506583 345406176 /nfs/dbraw/zinc/40/61/76/345406176.db2.gz CRWNZKCJNRBOLB-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]1CN(C)C ZINC000061644080 192088521 /nfs/dbraw/zinc/08/85/21/192088521.db2.gz OBVFOPDFXFLNJC-NEPJUHHUSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@]1(C(=O)N2CCCNCC2)CCCC[NH2+]1 ZINC000159544802 345442173 /nfs/dbraw/zinc/44/21/73/345442173.db2.gz SVJIZXPGYXHVKJ-LBPRGKRZSA-N 1 3 225.336 0.341 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000134105259 345540417 /nfs/dbraw/zinc/54/04/17/345540417.db2.gz XBTQQLFEDXMCAZ-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000563086897 323090653 /nfs/dbraw/zinc/09/06/53/323090653.db2.gz VBZYPGDHYVAGJH-SRVKXCTJSA-N 1 3 239.363 0.395 20 0 BCADHO CCN(CC)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000563112522 323093185 /nfs/dbraw/zinc/09/31/85/323093185.db2.gz HRUCCAIEOVUCKB-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309744635 187310347 /nfs/dbraw/zinc/31/03/47/187310347.db2.gz FEJCEYJZEIBGME-VHSXEESVSA-N 1 3 215.341 0.459 20 0 BCADHO CN(CC(=O)N(C)CC[NH+](C)C)CC(C)(C)C ZINC000635639517 345912203 /nfs/dbraw/zinc/91/22/03/345912203.db2.gz AXNVGPITWPSPCJ-UHFFFAOYSA-N 1 3 243.395 0.984 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000563164373 323099148 /nfs/dbraw/zinc/09/91/48/323099148.db2.gz MBIIKHHPTVPPQB-WZRBSPASSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CCC[C@@](CNC(N)=[NH2+])(N(C)C)C1 ZINC000052020231 346234514 /nfs/dbraw/zinc/23/45/14/346234514.db2.gz VUOLADOUNZMGAY-MWLCHTKSSA-N 1 3 212.341 0.980 20 0 BCADHO CC[C@@H](C(=O)N1CCN[C@@H](C)C1)[NH+](C)C ZINC000390747370 346323924 /nfs/dbraw/zinc/32/39/24/346323924.db2.gz AMFJPGXWRVUKLI-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO CCC[NH+]1CCC(NC2(CO)CC2)CC1 ZINC000679150603 488313687 /nfs/dbraw/zinc/31/36/87/488313687.db2.gz PKKDKDPHLOCQDG-UHFFFAOYSA-N 1 3 212.337 0.975 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CCCC[NH3+] ZINC000069732787 349954745 /nfs/dbraw/zinc/95/47/45/349954745.db2.gz GDBMRCFBXKCUJN-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)(N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000336374995 187367614 /nfs/dbraw/zinc/36/76/14/187367614.db2.gz KZLRZZUSWDROLT-VIFPVBQESA-N 1 3 227.352 0.618 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CCCC[NH3+] ZINC000069734279 349956226 /nfs/dbraw/zinc/95/62/26/349956226.db2.gz HIQQHZXYXRAZMP-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO C[C@@]1(CNCCn2ccnc2)CC[NH2+]C1 ZINC000575046241 346421439 /nfs/dbraw/zinc/42/14/39/346421439.db2.gz HVMMVKMQYJTEPV-LLVKDONJSA-N 1 3 208.309 0.472 20 0 BCADHO CCN(CC)CC(=O)NCCN(C)CCOC ZINC000171127885 346421582 /nfs/dbraw/zinc/42/15/82/346421582.db2.gz JPKBPEQNCHVIIU-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO CCN(CC)CC(=O)NCC[N@H+](C)CCOC ZINC000171127885 346421584 /nfs/dbraw/zinc/42/15/84/346421584.db2.gz JPKBPEQNCHVIIU-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO CCN(CC)CC(=O)NCC[N@@H+](C)CCOC ZINC000171127885 346421586 /nfs/dbraw/zinc/42/15/86/346421586.db2.gz JPKBPEQNCHVIIU-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO C[C@@H]1CC[N@H+](CCc2cncn2C)C[C@H]1CN ZINC000641797961 362738585 /nfs/dbraw/zinc/73/85/85/362738585.db2.gz AXXRPFLJMCBUHV-VXGBXAGGSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@@H]1CC[N@@H+](CCc2cncn2C)C[C@H]1CN ZINC000641797961 362738589 /nfs/dbraw/zinc/73/85/89/362738589.db2.gz AXXRPFLJMCBUHV-VXGBXAGGSA-N 1 3 236.363 0.879 20 0 BCADHO Cn1cncc1CC[N@H+](C)[C@H](CN)C1CC1 ZINC000641797696 362744505 /nfs/dbraw/zinc/74/45/05/362744505.db2.gz GFVFPPBQGKCXHQ-GFCCVEGCSA-N 1 3 222.336 0.632 20 0 BCADHO Cn1cncc1CC[N@@H+](C)[C@H](CN)C1CC1 ZINC000641797696 362744507 /nfs/dbraw/zinc/74/45/07/362744507.db2.gz GFVFPPBQGKCXHQ-GFCCVEGCSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000069840023 349962300 /nfs/dbraw/zinc/96/23/00/349962300.db2.gz KHXXMVWCDNFTLB-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC[C@H](C)[NH3+] ZINC000069840102 349962314 /nfs/dbraw/zinc/96/23/14/349962314.db2.gz MHTBSRYMALYLER-NSHDSACASA-N 1 3 229.368 0.914 20 0 BCADHO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CCc1cncn1C ZINC000641798783 362747188 /nfs/dbraw/zinc/74/71/88/362747188.db2.gz IFAFKIXQWMYOOP-NTZNESFSSA-N 1 3 236.363 0.939 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCc1cncn1C ZINC000641798783 362747191 /nfs/dbraw/zinc/74/71/91/362747191.db2.gz IFAFKIXQWMYOOP-NTZNESFSSA-N 1 3 236.363 0.939 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000580071855 346511987 /nfs/dbraw/zinc/51/19/87/346511987.db2.gz OVUSLKQSLXIHOG-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOC[C@@H]1CCCO1 ZINC000641802301 362760070 /nfs/dbraw/zinc/76/00/70/362760070.db2.gz IYIAIEVNFGOEAF-QJPTWQEYSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000641802301 362760074 /nfs/dbraw/zinc/76/00/74/362760074.db2.gz IYIAIEVNFGOEAF-QJPTWQEYSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CNCCO2)[C@@H]1C ZINC000641809547 362766373 /nfs/dbraw/zinc/76/63/73/362766373.db2.gz RGHYMLKHZGVVMR-LPWJVIDDSA-N 1 3 241.379 0.423 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@](C)(O)CC1 ZINC000380157926 346582651 /nfs/dbraw/zinc/58/26/51/346582651.db2.gz KFYVXZHHJDJQBD-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@](C)(O)CC1 ZINC000380157926 346582655 /nfs/dbraw/zinc/58/26/55/346582655.db2.gz KFYVXZHHJDJQBD-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO CC[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N(CC)CC ZINC000580201525 346658313 /nfs/dbraw/zinc/65/83/13/346658313.db2.gz RNGJJBOMJXRWFV-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)NCC[C@H](C)[NH3+] ZINC000178620075 346706256 /nfs/dbraw/zinc/70/62/56/346706256.db2.gz SYGOYJXSYQPRLQ-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1CO ZINC000622004685 370655334 /nfs/dbraw/zinc/65/53/34/370655334.db2.gz SKDOXFHEYDHGGQ-UPJWGTAASA-N 1 3 226.364 0.936 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582062089 347159386 /nfs/dbraw/zinc/15/93/86/347159386.db2.gz QBFLQEJOPMNKNT-YIZRAAEISA-N 1 3 249.305 0.603 20 0 BCADHO COC(=O)CCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601326450 347208655 /nfs/dbraw/zinc/20/86/55/347208655.db2.gz MYQHNMDAEKBCCJ-NXEZZACHSA-N 1 3 214.309 0.466 20 0 BCADHO CC(C)(N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571325643 323141448 /nfs/dbraw/zinc/14/14/48/323141448.db2.gz VJMXYAVFEMTDRH-SECBINFHSA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188913107 347292521 /nfs/dbraw/zinc/29/25/21/347292521.db2.gz DOMFLULZXQZLLU-DTWKUNHWSA-N 1 3 231.315 0.191 20 0 BCADHO CC[NH+](CC)CCC[C@H](C)NC(=O)CN ZINC000019439234 347325057 /nfs/dbraw/zinc/32/50/57/347325057.db2.gz UGAWEZMMHNXESY-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH+](C)C ZINC000571579714 323148324 /nfs/dbraw/zinc/14/83/24/323148324.db2.gz KJWJCBVAORVXAV-NEPJUHHUSA-N 1 3 241.379 0.642 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000054133132 347468941 /nfs/dbraw/zinc/46/89/41/347468941.db2.gz GWVGOIAEBJJJLM-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000054133132 347468943 /nfs/dbraw/zinc/46/89/43/347468943.db2.gz GWVGOIAEBJJJLM-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215823 365886009 /nfs/dbraw/zinc/88/60/09/365886009.db2.gz TYYUDSUDRRLUOP-HBNTYKKESA-N 1 3 225.336 0.147 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000382974015 347517170 /nfs/dbraw/zinc/51/71/70/347517170.db2.gz SACAVOJCOBFFEM-JQWIXIFHSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)OCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000159016848 347571193 /nfs/dbraw/zinc/57/11/93/347571193.db2.gz RGTODJIJXGDRCU-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591423103 347657933 /nfs/dbraw/zinc/65/79/33/347657933.db2.gz CRGSVPJXVNDYTD-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591423103 347657935 /nfs/dbraw/zinc/65/79/35/347657935.db2.gz CRGSVPJXVNDYTD-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)CC1CC1 ZINC000308462688 347686254 /nfs/dbraw/zinc/68/62/54/347686254.db2.gz DUSKZMQALRZBJG-LLVKDONJSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)CC1CC1 ZINC000308462688 347686257 /nfs/dbraw/zinc/68/62/57/347686257.db2.gz DUSKZMQALRZBJG-LLVKDONJSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)CC1CC1 ZINC000308462691 347686404 /nfs/dbraw/zinc/68/64/04/347686404.db2.gz DUSKZMQALRZBJG-NSHDSACASA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)CC1CC1 ZINC000308462691 347686407 /nfs/dbraw/zinc/68/64/07/347686407.db2.gz DUSKZMQALRZBJG-NSHDSACASA-N 1 3 200.326 0.641 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592329320 347767710 /nfs/dbraw/zinc/76/77/10/347767710.db2.gz XEEJFTXPTAVAGV-VHSXEESVSA-N 1 3 245.392 0.325 20 0 BCADHO Cn1cncc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000401759860 347761495 /nfs/dbraw/zinc/76/14/95/347761495.db2.gz ULEHBOVGYBHGNY-GHMZBOCLSA-N 1 3 222.336 0.822 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000577392122 365944159 /nfs/dbraw/zinc/94/41/59/365944159.db2.gz OQOPVWAUIDSSIC-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000577399027 365945971 /nfs/dbraw/zinc/94/59/71/365945971.db2.gz HOXJHKLGBVDTNR-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000577399027 365945977 /nfs/dbraw/zinc/94/59/77/365945977.db2.gz HOXJHKLGBVDTNR-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO [NH3+]CCCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000070203792 349978024 /nfs/dbraw/zinc/97/80/24/349978024.db2.gz ZKGHVCBTMWPRTR-LBPRGKRZSA-N 1 3 239.363 0.812 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)CCCC[NH3+] ZINC000070203807 349978339 /nfs/dbraw/zinc/97/83/39/349978339.db2.gz DSGZCTWZKXHLKJ-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO COC(=O)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000594581091 348076330 /nfs/dbraw/zinc/07/63/30/348076330.db2.gz MUZSYEACLYLUIH-ZJUUUORDSA-N 1 3 226.320 0.799 20 0 BCADHO COC(=O)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000594581089 348076438 /nfs/dbraw/zinc/07/64/38/348076438.db2.gz MUZSYEACLYLUIH-UWVGGRQHSA-N 1 3 226.320 0.799 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000563712763 323175010 /nfs/dbraw/zinc/17/50/10/323175010.db2.gz KEBSYUXPBKEIFC-MXWKQRLJSA-N 1 3 225.336 0.243 20 0 BCADHO CSC[C@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309100794 349986596 /nfs/dbraw/zinc/98/65/96/349986596.db2.gz IZKBJACLXWKBKO-GXSJLCMTSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309100794 349986599 /nfs/dbraw/zinc/98/65/99/349986599.db2.gz IZKBJACLXWKBKO-GXSJLCMTSA-N 1 3 232.393 0.783 20 0 BCADHO N[C@@H]1C[C@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902600 348395062 /nfs/dbraw/zinc/39/50/62/348395062.db2.gz AMQQPYKSBQYVME-NWDGAFQWSA-N 1 3 235.331 0.196 20 0 BCADHO N[C@@H]1C[C@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902600 348395064 /nfs/dbraw/zinc/39/50/64/348395064.db2.gz AMQQPYKSBQYVME-NWDGAFQWSA-N 1 3 235.331 0.196 20 0 BCADHO CSC[C@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309100797 349986641 /nfs/dbraw/zinc/98/66/41/349986641.db2.gz IZKBJACLXWKBKO-ONGXEEELSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@H](C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309100797 349986644 /nfs/dbraw/zinc/98/66/44/349986644.db2.gz IZKBJACLXWKBKO-ONGXEEELSA-N 1 3 232.393 0.783 20 0 BCADHO N[C@H]1C[C@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902601 348395208 /nfs/dbraw/zinc/39/52/08/348395208.db2.gz AMQQPYKSBQYVME-RYUDHWBXSA-N 1 3 235.331 0.196 20 0 BCADHO N[C@H]1C[C@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902601 348395210 /nfs/dbraw/zinc/39/52/10/348395210.db2.gz AMQQPYKSBQYVME-RYUDHWBXSA-N 1 3 235.331 0.196 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)CC1CCN(C)CC1 ZINC000070318106 349993702 /nfs/dbraw/zinc/99/37/02/349993702.db2.gz CGVSQIGUIMUDQX-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CSCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000596649162 348604718 /nfs/dbraw/zinc/60/47/18/348604718.db2.gz CCUJGDJJJHABJX-KXUCPTDWSA-N 1 3 218.366 0.691 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)C1CCC1 ZINC000399238199 323201210 /nfs/dbraw/zinc/20/12/10/323201210.db2.gz SHNIXUCYNYNAKO-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CN[C@@H](C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054076113 348878528 /nfs/dbraw/zinc/87/85/28/348878528.db2.gz YUJLILUNASIBBN-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)NC ZINC000054076846 348880210 /nfs/dbraw/zinc/88/02/10/348880210.db2.gz LIFBWEQDDOPEGM-UWVGGRQHSA-N 1 3 215.341 0.441 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)C(C)(C)C ZINC000308859373 348908587 /nfs/dbraw/zinc/90/85/87/348908587.db2.gz QYYPTBZTQGXWJU-JGVFFNPUSA-N 1 3 201.314 0.071 20 0 BCADHO C[C@@H](C(=O)NC[C@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000248483950 349133217 /nfs/dbraw/zinc/13/32/17/349133217.db2.gz JUDJUOCBIVYZMH-OUAUKWLOSA-N 1 3 227.352 0.428 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2COCCO2)C1 ZINC000250631744 349176559 /nfs/dbraw/zinc/17/65/59/349176559.db2.gz DFMHFBDWEYJUOK-VWYCJHECSA-N 1 3 214.309 0.261 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250886548 349181168 /nfs/dbraw/zinc/18/11/68/349181168.db2.gz WODMKDYOSDZPBF-VXGBXAGGSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250886548 349181170 /nfs/dbraw/zinc/18/11/70/349181170.db2.gz WODMKDYOSDZPBF-VXGBXAGGSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)N1CCCC1)[C@H](C)[NH3+] ZINC000252852519 349218754 /nfs/dbraw/zinc/21/87/54/349218754.db2.gz IRHILZFQYKHCQM-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2)CCN1C ZINC000530222436 323218336 /nfs/dbraw/zinc/21/83/36/323218336.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2COCCN2)CC[N@@H+]1C ZINC000530222436 323218339 /nfs/dbraw/zinc/21/83/39/323218339.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2COCCN2)CC[N@H+]1C ZINC000530222436 323218341 /nfs/dbraw/zinc/21/83/41/323218341.db2.gz NDXCEAYPBHDMNI-GRYCIOLGSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000253164812 349228269 /nfs/dbraw/zinc/22/82/69/349228269.db2.gz YJWSOEKJMZMPQH-UTUOFQBUSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000253164812 349228272 /nfs/dbraw/zinc/22/82/72/349228272.db2.gz YJWSOEKJMZMPQH-UTUOFQBUSA-N 1 3 239.363 0.442 20 0 BCADHO CCN(C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070619287 350029590 /nfs/dbraw/zinc/02/95/90/350029590.db2.gz SCGXBDZRWWGFBE-NSHDSACASA-N 1 3 213.325 0.196 20 0 BCADHO C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC000563106905 350062743 /nfs/dbraw/zinc/06/27/43/350062743.db2.gz UIWMTXXQXRCIDW-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CC[N@H+](CCNC(=O)C1(N)CCC1)C1CC1 ZINC000219923844 350149410 /nfs/dbraw/zinc/14/94/10/350149410.db2.gz LNAIKHGBXZWLSB-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CC[N@@H+](CCNC(=O)C1(N)CCC1)C1CC1 ZINC000219923844 350149413 /nfs/dbraw/zinc/14/94/13/350149413.db2.gz LNAIKHGBXZWLSB-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO Cc1cnn(CCN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000304430404 350156840 /nfs/dbraw/zinc/15/68/40/350156840.db2.gz SQHXTHHTMCZOFX-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334268662 538063012 /nfs/dbraw/zinc/06/30/12/538063012.db2.gz CFFMQQFLEBXCIS-LBPRGKRZSA-N 1 3 225.336 0.326 20 0 BCADHO CCN(CC)CC(=O)N(C)CC[NH2+]C ZINC000236837113 191061503 /nfs/dbraw/zinc/06/15/03/191061503.db2.gz LSFIWSKOAKJTTQ-UHFFFAOYSA-N 1 3 201.314 0.006 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428442526 191073113 /nfs/dbraw/zinc/07/31/13/191073113.db2.gz UOTADDVEUPMKND-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC[N@H+](C)C[C@H](O)CNC1(CO)CCCC1 ZINC000309233665 350215369 /nfs/dbraw/zinc/21/53/69/350215369.db2.gz JDZLAQHBLSFEIG-LLVKDONJSA-N 1 3 230.352 0.194 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CNC1(CO)CCCC1 ZINC000309233665 350215371 /nfs/dbraw/zinc/21/53/71/350215371.db2.gz JDZLAQHBLSFEIG-LLVKDONJSA-N 1 3 230.352 0.194 20 0 BCADHO CC[C@H](C)N(CCO)C[C@@H](O)C[N@H+](C)CC ZINC000309225866 350212697 /nfs/dbraw/zinc/21/26/97/350212697.db2.gz HOFVIKXAKWQEIK-RYUDHWBXSA-N 1 3 232.368 0.392 20 0 BCADHO CC[C@H](C)N(CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000309225866 350212699 /nfs/dbraw/zinc/21/26/99/350212699.db2.gz HOFVIKXAKWQEIK-RYUDHWBXSA-N 1 3 232.368 0.392 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427592103 191083444 /nfs/dbraw/zinc/08/34/44/191083444.db2.gz OEWGEERCHIWCRA-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1C[C@H](N(C)C[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000125479805 490436152 /nfs/dbraw/zinc/43/61/52/490436152.db2.gz ZSACQKBDOOEXSQ-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H](N(C)C[C@@H]2CNCCO2)CC[N@H+]1C ZINC000125479805 490436160 /nfs/dbraw/zinc/43/61/60/490436160.db2.gz ZSACQKBDOOEXSQ-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CNCCO2)CCN1C ZINC000125479805 490436170 /nfs/dbraw/zinc/43/61/70/490436170.db2.gz ZSACQKBDOOEXSQ-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CNCCO2)CCN1C ZINC000125479805 490436173 /nfs/dbraw/zinc/43/61/73/490436173.db2.gz ZSACQKBDOOEXSQ-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)C[NH+]1CCCCC1 ZINC000038042251 350302733 /nfs/dbraw/zinc/30/27/33/350302733.db2.gz BPDNUWKNWMDMCA-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465570 350343565 /nfs/dbraw/zinc/34/35/65/350343565.db2.gz PUBNYWNNFLZYNJ-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CC(F)F ZINC000309413149 350376325 /nfs/dbraw/zinc/37/63/25/350376325.db2.gz IXCLIUPNADFTPV-RQJHMYQMSA-N 1 3 223.267 0.083 20 0 BCADHO CCN1CCC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839777 350414722 /nfs/dbraw/zinc/41/47/22/350414722.db2.gz UNJCFRKZNNDVCV-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000069840046 350415047 /nfs/dbraw/zinc/41/50/47/350415047.db2.gz PVZVFMCWJAFAEE-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309452912 323410459 /nfs/dbraw/zinc/41/04/59/323410459.db2.gz MYYQJIYFBMGOKO-AEJSXWLSSA-N 1 3 213.325 0.084 20 0 BCADHO COCCOCCCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422793912 192471548 /nfs/dbraw/zinc/47/15/48/192471548.db2.gz XQGULAARKGCTFH-NWDGAFQWSA-N 1 3 230.352 0.627 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000577612187 366018847 /nfs/dbraw/zinc/01/88/47/366018847.db2.gz JQHBREUJRMSWSD-ZDUSSCGKSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](CNC(=O)CC[NH2+]C1CC1)N1CCCC1 ZINC000161075756 351026108 /nfs/dbraw/zinc/02/61/08/351026108.db2.gz DCRVRAXUKCYFPE-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510953 351067191 /nfs/dbraw/zinc/06/71/91/351067191.db2.gz HWUWKFLGSUPHLN-YPMHNXCESA-N 1 3 239.363 0.729 20 0 BCADHO CCN(CC[NH3+])C(=O)NC[C@H](C)N(C)C1CC1 ZINC000626969794 363070298 /nfs/dbraw/zinc/07/02/98/363070298.db2.gz GRWZUSWZSSGONX-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CCN(CC[NH3+])C(=O)NCCN(C)C1CC1 ZINC000626975860 363073708 /nfs/dbraw/zinc/07/37/08/363073708.db2.gz HUUWZLYSRFYFAY-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000637804477 351641538 /nfs/dbraw/zinc/64/15/38/351641538.db2.gz PKROVXRRBJBCNA-GFCCVEGCSA-N 1 3 241.379 0.947 20 0 BCADHO CN(CC(=O)N[C@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000637806608 351643919 /nfs/dbraw/zinc/64/39/19/351643919.db2.gz YWZFCZQXIYWKDF-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)N(C)C1CC[NH2+]CC1)N(C)C ZINC000637809423 351646279 /nfs/dbraw/zinc/64/62/79/351646279.db2.gz QFTLVKMOHWPWCW-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811923 351647308 /nfs/dbraw/zinc/64/73/08/351647308.db2.gz SOUXUEWQBSNPQL-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000637799153 351627914 /nfs/dbraw/zinc/62/79/14/351627914.db2.gz KPGAAWQXTRDGKP-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798894 351628028 /nfs/dbraw/zinc/62/80/28/351628028.db2.gz ODXHRYNKEDJVDP-GHMZBOCLSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](C(=O)NC(C)(C)C[NH3+])N(C)C ZINC000637828913 351677304 /nfs/dbraw/zinc/67/73/04/351677304.db2.gz ITQOOHKEEQEVQM-QMMMGPOBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000637832120 351680986 /nfs/dbraw/zinc/68/09/86/351680986.db2.gz HSSNTJYDTHIWPF-ZYHUDNBSSA-N 1 3 235.331 0.801 20 0 BCADHO CN(CC(=O)NC(C)(C)C[NH3+])CC(C)(C)C ZINC000637831332 351685044 /nfs/dbraw/zinc/68/50/44/351685044.db2.gz WGLLXMQLFIPFJR-UHFFFAOYSA-N 1 3 229.368 0.818 20 0 BCADHO N[C@@H](CNC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000637831528 351685929 /nfs/dbraw/zinc/68/59/29/351685929.db2.gz DGWAFOZWBJFITD-ZDUSSCGKSA-N 1 3 247.342 0.802 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637835288 351686772 /nfs/dbraw/zinc/68/67/72/351686772.db2.gz GFWRTJXSKUKRBH-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)CCC(C)C)CC1 ZINC000637838025 351692892 /nfs/dbraw/zinc/69/28/92/351692892.db2.gz OVYYASSLNLXWDD-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838797 351693714 /nfs/dbraw/zinc/69/37/14/351693714.db2.gz CGAYZHVROINPLE-KXUCPTDWSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H](C(=O)N[C@@](C)(C[NH3+])C(C)C)N(C)C ZINC000637850134 351707628 /nfs/dbraw/zinc/70/76/28/351707628.db2.gz ITFKSVRLKQCHQL-PWSUYJOCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](C(=O)N[C@@](C)(C[NH3+])C(C)C)N(C)C ZINC000637850133 351707653 /nfs/dbraw/zinc/70/76/53/351707653.db2.gz ITFKSVRLKQCHQL-JQWIXIFHSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637843847 351703371 /nfs/dbraw/zinc/70/33/71/351703371.db2.gz ZKJLHPNAKAFGJQ-WCQYABFASA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000637846072 351704362 /nfs/dbraw/zinc/70/43/62/351704362.db2.gz URKTZWSUTCERAJ-WOPDTQHZSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000637846070 351704760 /nfs/dbraw/zinc/70/47/60/351704760.db2.gz URKTZWSUTCERAJ-TUAOUCFPSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822572 351667592 /nfs/dbraw/zinc/66/75/92/351667592.db2.gz LCXDIABYOARGCC-QWRGUYRKSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000637828100 351671302 /nfs/dbraw/zinc/67/13/02/351671302.db2.gz BHPRINSUTPDDIN-VIFPVBQESA-N 1 3 215.341 0.603 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH3+])C(C)C ZINC000637848839 351706037 /nfs/dbraw/zinc/70/60/37/351706037.db2.gz KWXLUJSWQKEJCP-VIFPVBQESA-N 1 3 224.308 0.360 20 0 BCADHO CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC000637827303 351676163 /nfs/dbraw/zinc/67/61/63/351676163.db2.gz PLZPNXZTAPIAQW-UHFFFAOYSA-N 1 3 229.368 0.690 20 0 BCADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000637861662 351722850 /nfs/dbraw/zinc/72/28/50/351722850.db2.gz JRYPFSAEWABFLK-JTQLQIEISA-N 1 3 229.368 0.770 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)CCC[NH3+] ZINC000637853076 351708966 /nfs/dbraw/zinc/70/89/66/351708966.db2.gz KWJOOBMKJCBALC-SNVBAGLBSA-N 1 3 215.341 0.557 20 0 BCADHO CC1(C)CNCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637856415 351715096 /nfs/dbraw/zinc/71/50/96/351715096.db2.gz AYCUSYMFCLTVLP-SNVBAGLBSA-N 1 3 223.320 0.244 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855850 351715685 /nfs/dbraw/zinc/71/56/85/351715685.db2.gz ZDLVQJSVXTZBOE-GHMZBOCLSA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCN2CCC(O)CC2)C1 ZINC000321776522 323640476 /nfs/dbraw/zinc/64/04/76/323640476.db2.gz HBKSSVFNZUKXNL-NEPJUHHUSA-N 1 3 241.379 0.303 20 0 BCADHO CO[C@]1(CN2CC[C@H](C[NH+](C)C)C2)CCOC1 ZINC000638077083 351949051 /nfs/dbraw/zinc/94/90/51/351949051.db2.gz PDCCFHKLHOIDKJ-OLZOCXBDSA-N 1 3 242.363 0.675 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368385323 187559623 /nfs/dbraw/zinc/55/96/23/187559623.db2.gz NLFQMQIEQXJAKH-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000638080233 351953284 /nfs/dbraw/zinc/95/32/84/351953284.db2.gz MYVHYGXIYQYAMO-RKDXNWHRSA-N 1 3 201.314 0.051 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000638098317 351977586 /nfs/dbraw/zinc/97/75/86/351977586.db2.gz BLWDHLXHMICNKB-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)CCC1C[NH2+]C1)N(C)C1CC1 ZINC000638099674 351980037 /nfs/dbraw/zinc/98/00/37/351980037.db2.gz DAMYBKDBYRNKES-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000638100576 351980630 /nfs/dbraw/zinc/98/06/30/351980630.db2.gz KFRATBXVYWMEBL-NXEZZACHSA-N 1 3 227.352 0.583 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000638151951 352012840 /nfs/dbraw/zinc/01/28/40/352012840.db2.gz BPWNMULCDRXUGM-VIFPVBQESA-N 1 3 222.292 0.114 20 0 BCADHO CC[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N(C)C ZINC000638139014 352005544 /nfs/dbraw/zinc/00/55/44/352005544.db2.gz RYULSHCFWYMGOL-RYUDHWBXSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638176103 352042548 /nfs/dbraw/zinc/04/25/48/352042548.db2.gz CCIFVONQJMGKIT-WOPDTQHZSA-N 1 3 241.379 0.864 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638196140 352060454 /nfs/dbraw/zinc/06/04/54/352060454.db2.gz WEUOYLNWMJBZJE-NXEZZACHSA-N 1 3 213.325 0.243 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000638199130 352062293 /nfs/dbraw/zinc/06/22/93/352062293.db2.gz PFBBRDKTFDDFMD-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000638199132 352062335 /nfs/dbraw/zinc/06/23/35/352062335.db2.gz PFBBRDKTFDDFMD-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1NCCN(C(=O)CCC2C[NH2+]C2)[C@@H]1C ZINC000638203809 352065113 /nfs/dbraw/zinc/06/51/13/352065113.db2.gz HRSBGZBZQYLBGS-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638205972 352067974 /nfs/dbraw/zinc/06/79/74/352067974.db2.gz KDUFMKQFIZBLSZ-NGZCFLSTSA-N 1 3 223.320 0.243 20 0 BCADHO C[C@@H]1NCCN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H]1C ZINC000638205974 352068469 /nfs/dbraw/zinc/06/84/69/352068469.db2.gz KDUFMKQFIZBLSZ-QXEWZRGKSA-N 1 3 223.320 0.243 20 0 BCADHO C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000638159509 352023958 /nfs/dbraw/zinc/02/39/58/352023958.db2.gz XPZUAEXRMJUUNS-KKZNHRDASA-N 1 3 223.320 0.243 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](C)CN1 ZINC000638160884 352028267 /nfs/dbraw/zinc/02/82/67/352028267.db2.gz ZVEHCJJRTQOPDS-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](C)CN1 ZINC000638160884 352028271 /nfs/dbraw/zinc/02/82/71/352028271.db2.gz ZVEHCJJRTQOPDS-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO CN1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638168276 352036225 /nfs/dbraw/zinc/03/62/25/352036225.db2.gz CRXOWGRSABFKRD-NSHDSACASA-N 1 3 223.320 0.198 20 0 BCADHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000638171388 352039192 /nfs/dbraw/zinc/03/91/92/352039192.db2.gz VEVRGALWCVETQZ-LLVKDONJSA-N 1 3 237.347 0.587 20 0 BCADHO CO[C@@H](CNCCC[NH+](C)C)[C@H]1CCOC1 ZINC000638289233 352125156 /nfs/dbraw/zinc/12/51/56/352125156.db2.gz FVEAEHOJCAUGDO-RYUDHWBXSA-N 1 3 230.352 0.579 20 0 BCADHO CO[C@H](CNCCC[NH+](C)C)[C@H]1CCOC1 ZINC000638289232 352125257 /nfs/dbraw/zinc/12/52/57/352125257.db2.gz FVEAEHOJCAUGDO-NWDGAFQWSA-N 1 3 230.352 0.579 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638303401 352132955 /nfs/dbraw/zinc/13/29/55/352132955.db2.gz FLRTYHOAKPMOQU-LLVKDONJSA-N 1 3 237.347 0.587 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638218971 352078850 /nfs/dbraw/zinc/07/88/50/352078850.db2.gz FIOAVSNXNWOURI-WCQYABFASA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)N(C)C ZINC000638229188 352084882 /nfs/dbraw/zinc/08/48/82/352084882.db2.gz DHNCTXAJYXSUFH-IRCOFANPSA-N 1 3 241.379 0.829 20 0 BCADHO CCN[C@@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638240837 352091496 /nfs/dbraw/zinc/09/14/96/352091496.db2.gz LTWZYOCVKVZDDU-SRVKXCTJSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638249528 352095104 /nfs/dbraw/zinc/09/51/04/352095104.db2.gz ZHACTPDLLQUPOQ-GARJFASQSA-N 1 3 245.342 0.566 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000638252112 352095205 /nfs/dbraw/zinc/09/52/05/352095205.db2.gz PDKMXZQGUWAPLD-QWRGUYRKSA-N 1 3 229.368 0.994 20 0 BCADHO CC[C@@H](C(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000638254567 352097774 /nfs/dbraw/zinc/09/77/74/352097774.db2.gz CUEZVXAJYGYGGC-RTBKNWGFSA-N 1 3 213.325 0.275 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638261278 352103638 /nfs/dbraw/zinc/10/36/38/352103638.db2.gz DJYWHEUZKRWTSI-VHSXEESVSA-N 1 3 227.352 0.489 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000638266658 352106208 /nfs/dbraw/zinc/10/62/08/352106208.db2.gz CYICSTONCBYGTH-UTUOFQBUSA-N 1 3 241.379 0.994 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271315 352109331 /nfs/dbraw/zinc/10/93/31/352109331.db2.gz VLVJQNYALNEAQP-RKDXNWHRSA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)CC[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000638271651 352109597 /nfs/dbraw/zinc/10/95/97/352109597.db2.gz YMXZTLSUSRZINO-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638276164 352113173 /nfs/dbraw/zinc/11/31/73/352113173.db2.gz QWQFYRGXGAFMCL-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)[NH2+]CC ZINC000638375572 352185131 /nfs/dbraw/zinc/18/51/31/352185131.db2.gz CELGQHJBRYCIOG-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CCN[C@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000638374653 352187266 /nfs/dbraw/zinc/18/72/66/352187266.db2.gz PDVGWQVPIHXIGU-SECBINFHSA-N 1 3 213.325 0.243 20 0 BCADHO CC[C@H](C(=O)NCCC[NH2+]C1CC1)N(C)C ZINC000638377510 352188871 /nfs/dbraw/zinc/18/88/71/352188871.db2.gz LYJRZHGHUBEKAF-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638427220 352235150 /nfs/dbraw/zinc/23/51/50/352235150.db2.gz VFAOPWCUUMJHBZ-NEPJUHHUSA-N 1 3 237.347 0.634 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638427223 352235851 /nfs/dbraw/zinc/23/58/51/352235851.db2.gz VFAOPWCUUMJHBZ-VXGBXAGGSA-N 1 3 237.347 0.634 20 0 BCADHO CCN[C@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638428534 352236550 /nfs/dbraw/zinc/23/65/50/352236550.db2.gz WLEIKDUYZVIXDU-NXEZZACHSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000638399542 352204302 /nfs/dbraw/zinc/20/43/02/352204302.db2.gz ITFKJRIRYUYEON-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638424327 352232114 /nfs/dbraw/zinc/23/21/14/352232114.db2.gz HRWBPTMFVWFOHA-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCCCN1 ZINC000638498150 352318364 /nfs/dbraw/zinc/31/83/64/352318364.db2.gz JXRZOPZMHBRWPL-MNOVXSKESA-N 1 3 237.347 0.529 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499904 352319990 /nfs/dbraw/zinc/31/99/90/352319990.db2.gz SOECOYSSVYOIAQ-VHSXEESVSA-N 1 3 239.363 0.761 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H](N)Cc1ccccc1 ZINC000638522439 352354985 /nfs/dbraw/zinc/35/49/85/352354985.db2.gz GYFDBJULCMIGTJ-GFCCVEGCSA-N 1 3 235.331 0.364 20 0 BCADHO CC[C@@H](C(=O)N(CC)CC[NH3+])N(C)C ZINC000638511954 352335527 /nfs/dbraw/zinc/33/55/27/352335527.db2.gz CVKTZLBKYACGCK-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO CCN(CC[NH3+])C(=O)c1cccc2c1CNC2 ZINC000638512749 352339203 /nfs/dbraw/zinc/33/92/03/352339203.db2.gz LHSNXNILNWRFOP-UHFFFAOYSA-N 1 3 233.315 0.711 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638535755 352367010 /nfs/dbraw/zinc/36/70/10/352367010.db2.gz DXIYGLWZSOITDZ-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000638566997 352393944 /nfs/dbraw/zinc/39/39/44/352393944.db2.gz GLSGDSOJNNCLBT-IVZWLZJFSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H](O)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000411738741 191207693 /nfs/dbraw/zinc/20/76/93/191207693.db2.gz UUELLYVRGMYQEH-ZDUSSCGKSA-N 1 3 245.411 0.573 20 0 BCADHO C[C@H](O)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000411738741 191207694 /nfs/dbraw/zinc/20/76/94/191207694.db2.gz UUELLYVRGMYQEH-ZDUSSCGKSA-N 1 3 245.411 0.573 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000638641184 352483184 /nfs/dbraw/zinc/48/31/84/352483184.db2.gz DGDAFGOTEZSABI-SDDRHHMPSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000638641180 352483400 /nfs/dbraw/zinc/48/34/00/352483400.db2.gz DGDAFGOTEZSABI-QJPTWQEYSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C2CCC2)C[NH2+]1 ZINC000638641559 352484949 /nfs/dbraw/zinc/48/49/49/352484949.db2.gz DRMGTGYVLOAGKY-IEBDPFPHSA-N 1 3 225.336 0.371 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638641695 352485511 /nfs/dbraw/zinc/48/55/11/352485511.db2.gz TYSIWRQOXKVSFK-WPRPVWTQSA-N 1 3 236.319 0.517 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643908 352486077 /nfs/dbraw/zinc/48/60/77/352486077.db2.gz NEBOGDGGOBIUDU-NAKRPEOUSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643903 352486240 /nfs/dbraw/zinc/48/62/40/352486240.db2.gz NEAGIMFMEYPDFD-GHMZBOCLSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643553 352486342 /nfs/dbraw/zinc/48/63/42/352486342.db2.gz LSURCFHPPUJRCL-KXUCPTDWSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653807 352494305 /nfs/dbraw/zinc/49/43/05/352494305.db2.gz HJORRMCCFJXBNF-DCAQKATOSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2)C[NH2+]1 ZINC000638653763 352494673 /nfs/dbraw/zinc/49/46/73/352494673.db2.gz HBRNITLEMYCTBK-AXFHLTTASA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)C[NH2+]1 ZINC000638653770 352495319 /nfs/dbraw/zinc/49/53/19/352495319.db2.gz HBRNITLEMYCTBK-VWYCJHECSA-N 1 3 225.336 0.385 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653908 352496855 /nfs/dbraw/zinc/49/68/55/352496855.db2.gz IQTWELHZXCQJBK-FOGDFJRCSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)C2(N)CCCC2)C[NH2+]1 ZINC000638654216 352496963 /nfs/dbraw/zinc/49/69/63/352496963.db2.gz KRMJUIMOFGNTDM-VHSXEESVSA-N 1 3 225.336 0.515 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654524 352497380 /nfs/dbraw/zinc/49/73/80/352497380.db2.gz LSURCFHPPUJRCL-UTLUCORTSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C[NH2+]1 ZINC000638657775 352500872 /nfs/dbraw/zinc/50/08/72/352500872.db2.gz YLYCYRHWLHVWRP-KXUCPTDWSA-N 1 3 227.352 0.617 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638727832 352586384 /nfs/dbraw/zinc/58/63/84/352586384.db2.gz MIXXRJFRFQAWAM-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000040459714 352597928 /nfs/dbraw/zinc/59/79/28/352597928.db2.gz GAFMLAKIMXIGIW-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)C[NH+]1CCCCC1 ZINC000040924312 352600493 /nfs/dbraw/zinc/60/04/93/352600493.db2.gz JVVVYTSYNLVBHZ-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CSCC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807310 352604710 /nfs/dbraw/zinc/60/47/10/352604710.db2.gz LMBRUOJQCSWRNB-VIFPVBQESA-N 1 3 247.408 0.523 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165698 352613686 /nfs/dbraw/zinc/61/36/86/352613686.db2.gz RZYGVPRTGOOPLS-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N(C)C1CC1 ZINC000300422202 352563050 /nfs/dbraw/zinc/56/30/50/352563050.db2.gz WUVZITFKJYAFDA-JFGNBEQYSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000638774055 352720171 /nfs/dbraw/zinc/72/01/71/352720171.db2.gz WRENIGXXOKSFQX-VHSXEESVSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334185720 352774672 /nfs/dbraw/zinc/77/46/72/352774672.db2.gz CDZVHPNVOZHDTH-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334185720 352774675 /nfs/dbraw/zinc/77/46/75/352774675.db2.gz CDZVHPNVOZHDTH-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CC[NH2+]C1 ZINC000638792179 352753741 /nfs/dbraw/zinc/75/37/41/352753741.db2.gz BDFYXSCIKLFZSM-YPMHNXCESA-N 1 3 245.326 0.699 20 0 BCADHO O=C(N[C@H]1CCN(C2CCCC2)C1)[C@H]1CC[NH2+]1 ZINC000334218409 352819303 /nfs/dbraw/zinc/81/93/03/352819303.db2.gz YEEJMIBQAHRYRO-CMPLNLGQSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCN1 ZINC000334218409 352819305 /nfs/dbraw/zinc/81/93/05/352819305.db2.gz YEEJMIBQAHRYRO-CMPLNLGQSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCN1 ZINC000334218409 352819308 /nfs/dbraw/zinc/81/93/08/352819308.db2.gz YEEJMIBQAHRYRO-CMPLNLGQSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H](C(=O)NCCN1CCCCC1)C1C[NH2+]C1 ZINC000164457403 352804917 /nfs/dbraw/zinc/80/49/17/352804917.db2.gz WMXZHSSFBKLGGO-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO NC1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000334298607 352918893 /nfs/dbraw/zinc/91/88/93/352918893.db2.gz DZNGLRIRCPMWTD-UHFFFAOYSA-N 1 3 249.289 0.901 20 0 BCADHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000638854891 353031948 /nfs/dbraw/zinc/03/19/48/353031948.db2.gz VQALDSLAJCAAIB-OLZOCXBDSA-N 1 3 249.358 0.587 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818719 352998907 /nfs/dbraw/zinc/99/89/07/352998907.db2.gz FHQMRCMRPNSSIT-BDAKNGLRSA-N 1 3 249.305 0.699 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819834 353000392 /nfs/dbraw/zinc/00/03/92/353000392.db2.gz NRAIMCVVWQRPPE-NXEZZACHSA-N 1 3 213.325 0.454 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915126 353074247 /nfs/dbraw/zinc/07/42/47/353074247.db2.gz NJZMARCNOFFBOB-DCAQKATOSA-N 1 3 237.347 0.337 20 0 BCADHO NC1(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000638873600 353043904 /nfs/dbraw/zinc/04/39/04/353043904.db2.gz JTVATFJTYFKKRP-LBPRGKRZSA-N 1 3 247.342 0.554 20 0 BCADHO NC1(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000638873598 353043951 /nfs/dbraw/zinc/04/39/51/353043951.db2.gz JTVATFJTYFKKRP-GFCCVEGCSA-N 1 3 247.342 0.554 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2c(c1)CNC2 ZINC000638937688 353111507 /nfs/dbraw/zinc/11/15/07/353111507.db2.gz UOVXKWWZSAXYNC-TVQRCGJNSA-N 1 3 245.326 0.852 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638937265 353111556 /nfs/dbraw/zinc/11/15/56/353111556.db2.gz SHYVGPAALKXSPL-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c1CNC2 ZINC000638929794 353090494 /nfs/dbraw/zinc/09/04/94/353090494.db2.gz HTBJGPHDRDVXEE-ONGXEEELSA-N 1 3 245.326 0.852 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)CN(C)CC(C)(C)C ZINC000638931506 353092509 /nfs/dbraw/zinc/09/25/09/353092509.db2.gz PKCHHDHFDIRXHX-QWRGUYRKSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933900 353096863 /nfs/dbraw/zinc/09/68/63/353096863.db2.gz DAOIVDIDEZSJAU-KKOKHZNYSA-N 1 3 239.363 0.807 20 0 BCADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2CCOC2)CC1 ZINC000341278557 188044084 /nfs/dbraw/zinc/04/40/84/188044084.db2.gz MFZKIBPJPPPKFK-GFCCVEGCSA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)N(C[C@@H](C)O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336684160 188010761 /nfs/dbraw/zinc/01/07/61/188010761.db2.gz FODDOUYFMLYXDG-YPMHNXCESA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C[C@@H](C)O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336684160 188010763 /nfs/dbraw/zinc/01/07/63/188010763.db2.gz FODDOUYFMLYXDG-YPMHNXCESA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000336683206 188010904 /nfs/dbraw/zinc/01/09/04/188010904.db2.gz JPNQICYHIAHXNE-RYUDHWBXSA-N 1 3 214.353 0.887 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCC1 ZINC000638942771 353139153 /nfs/dbraw/zinc/13/91/53/353139153.db2.gz KDGPGZIXNOZBSL-XYPYZODXSA-N 1 3 239.363 0.892 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040921795 188043246 /nfs/dbraw/zinc/04/32/46/188043246.db2.gz JHOFEGXERBREBJ-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040921795 188043248 /nfs/dbraw/zinc/04/32/48/188043248.db2.gz JHOFEGXERBREBJ-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO Cn1cncc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000336298036 188054854 /nfs/dbraw/zinc/05/48/54/188054854.db2.gz ZAMSJLKPGCFNPL-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N(C)C ZINC000638950642 353153883 /nfs/dbraw/zinc/15/38/83/353153883.db2.gz LEZKIUHTOIOCHL-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](CN[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000341899343 188044924 /nfs/dbraw/zinc/04/49/24/188044924.db2.gz OFDFJQDNFWHGJJ-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967234 353175181 /nfs/dbraw/zinc/17/51/81/353175181.db2.gz LASMHTGNVQGRPS-HAQNSBGRSA-N 1 3 241.379 0.962 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)CNC2CC2)CC1 ZINC000638971587 353179047 /nfs/dbraw/zinc/17/90/47/353179047.db2.gz ZWCDHAHEEWPVIM-HOMQSWHASA-N 1 3 225.336 0.372 20 0 BCADHO CCC1([NH+](C)C)CCN(C(=O)C2(N)CC2)CC1 ZINC000638975543 353182463 /nfs/dbraw/zinc/18/24/63/353182463.db2.gz KVHNHMDEBRWKKH-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022652 353278417 /nfs/dbraw/zinc/27/84/17/353278417.db2.gz OFESKHKJWXFIIZ-NHCYSSNCSA-N 1 3 227.352 0.890 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000250344580 353269673 /nfs/dbraw/zinc/26/96/73/353269673.db2.gz QFFWTMABOORHKT-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)N ZINC000037001285 188279417 /nfs/dbraw/zinc/27/94/17/188279417.db2.gz LXDJCPSHEJRFDS-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089244 188282770 /nfs/dbraw/zinc/28/27/70/188282770.db2.gz WPATXAAHLJOCHQ-BDAKNGLRSA-N 1 3 201.314 0.036 20 0 BCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CNC1CC1 ZINC000037609221 188287183 /nfs/dbraw/zinc/28/71/83/188287183.db2.gz QBNQYBPQNXRWHN-LBPRGKRZSA-N 1 3 241.379 0.831 20 0 BCADHO CCN1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000165323198 353300020 /nfs/dbraw/zinc/30/00/20/353300020.db2.gz FSHLWTHCSNXGKC-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031959 353301257 /nfs/dbraw/zinc/30/12/57/353301257.db2.gz JMQVVGKPGUMSQK-BJDJZHNGSA-N 1 3 239.363 0.761 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@H]12 ZINC000252841689 353312099 /nfs/dbraw/zinc/31/20/99/353312099.db2.gz APCRVSADWOGUKO-FVCCEPFGSA-N 1 3 224.348 0.689 20 0 BCADHO CC(C)(C[NH3+])C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062976485 188303851 /nfs/dbraw/zinc/30/38/51/188303851.db2.gz ZZYZIZAKCVFTFK-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)(C[NH3+])C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062976486 188304020 /nfs/dbraw/zinc/30/40/20/188304020.db2.gz ZZYZIZAKCVFTFK-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@H]12 ZINC000252841689 353312100 /nfs/dbraw/zinc/31/21/00/353312100.db2.gz APCRVSADWOGUKO-FVCCEPFGSA-N 1 3 224.348 0.689 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)CN(C)C(C)C ZINC000162737180 353330063 /nfs/dbraw/zinc/33/00/63/353330063.db2.gz HETVZIFPUCIGOE-NSHDSACASA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)N1CC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000336200504 535226695 /nfs/dbraw/zinc/22/66/95/535226695.db2.gz NFMBUEWBPAMZGK-GFCCVEGCSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[NH+]1CCC(NCCC(=O)N(C)C)CC1 ZINC000037751437 188325750 /nfs/dbraw/zinc/32/57/50/188325750.db2.gz MNULILYJOQEEAX-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CO[C@H](CNC[C@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049025 353339901 /nfs/dbraw/zinc/33/99/01/353339901.db2.gz GSMLYRXEBYMQCW-QWHCGFSZSA-N 1 3 244.379 0.704 20 0 BCADHO CO[C@H](CNC[C@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049025 353339902 /nfs/dbraw/zinc/33/99/02/353339902.db2.gz GSMLYRXEBYMQCW-QWHCGFSZSA-N 1 3 244.379 0.704 20 0 BCADHO CN1CC[C@@]2(CC[N@H+](CCn3cccn3)C2)C1 ZINC000334509375 353412148 /nfs/dbraw/zinc/41/21/48/353412148.db2.gz MZRNSCLSUVBJKG-CYBMUJFWSA-N 1 3 234.347 0.911 20 0 BCADHO CN1CC[C@@]2(CC[N@@H+](CCn3cccn3)C2)C1 ZINC000334509375 353412150 /nfs/dbraw/zinc/41/21/50/353412150.db2.gz MZRNSCLSUVBJKG-CYBMUJFWSA-N 1 3 234.347 0.911 20 0 BCADHO CC(C)(C[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000262946707 188371256 /nfs/dbraw/zinc/37/12/56/188371256.db2.gz BYRDRIQJAAZKJK-NSHDSACASA-N 1 3 235.331 0.930 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000230217984 353476047 /nfs/dbraw/zinc/47/60/47/353476047.db2.gz XJVGBNRNZDUQEP-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000574986411 353514231 /nfs/dbraw/zinc/51/42/31/353514231.db2.gz ILVKXRTZEVNHHF-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CCSCC1 ZINC000230934314 353548991 /nfs/dbraw/zinc/54/89/91/353548991.db2.gz QZTGFISMGVWPQC-NEPJUHHUSA-N 1 3 243.420 0.752 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000230934314 353548992 /nfs/dbraw/zinc/54/89/92/353548992.db2.gz QZTGFISMGVWPQC-NEPJUHHUSA-N 1 3 243.420 0.752 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000563809136 353535952 /nfs/dbraw/zinc/53/59/52/353535952.db2.gz NUJKOVIOINJHAC-SRVKXCTJSA-N 1 3 237.347 0.182 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC ZINC000193132159 353575776 /nfs/dbraw/zinc/57/57/76/353575776.db2.gz UCHSGKKDRQIREP-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC ZINC000193132159 353575778 /nfs/dbraw/zinc/57/57/78/353575778.db2.gz UCHSGKKDRQIREP-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC ZINC000193132147 353575845 /nfs/dbraw/zinc/57/58/45/353575845.db2.gz UCHSGKKDRQIREP-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC ZINC000193132147 353575847 /nfs/dbraw/zinc/57/58/47/353575847.db2.gz UCHSGKKDRQIREP-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000334514254 353579447 /nfs/dbraw/zinc/57/94/47/353579447.db2.gz HTDLMFBHSQZXGD-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000334514254 353579450 /nfs/dbraw/zinc/57/94/50/353579450.db2.gz HTDLMFBHSQZXGD-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO COCCCN(C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000193318920 353583481 /nfs/dbraw/zinc/58/34/81/353583481.db2.gz KKDMKZHVNADOTN-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO CC[C@@]1(C(=O)NC[C@H]2CCCN2C)CCC[NH2+]1 ZINC000231786583 353655126 /nfs/dbraw/zinc/65/51/26/353655126.db2.gz DOHPQRTUZYBHEC-YPMHNXCESA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@]1(C(=O)NC[C@@H]2CCCN2C)CCC[NH2+]1 ZINC000231786576 353655352 /nfs/dbraw/zinc/65/53/52/353655352.db2.gz DOHPQRTUZYBHEC-AAEUAGOBSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366844081 353983779 /nfs/dbraw/zinc/98/37/79/353983779.db2.gz MRWCWPGFTVPIMW-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CO[C@@H]1CN(CCOCC[NH3+])CC[C@@H]1C ZINC000230312140 363303998 /nfs/dbraw/zinc/30/39/98/363303998.db2.gz CQEFDPHIXYKQNH-WDEREUQCSA-N 1 3 216.325 0.319 20 0 BCADHO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000449684339 202002125 /nfs/dbraw/zinc/00/21/25/202002125.db2.gz KOAYDVFDRSNVIQ-VXGBXAGGSA-N 1 3 239.363 0.777 20 0 BCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000449684338 202002515 /nfs/dbraw/zinc/00/25/15/202002515.db2.gz KOAYDVFDRSNVIQ-RYUDHWBXSA-N 1 3 239.363 0.777 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734029 202010731 /nfs/dbraw/zinc/01/07/31/202010731.db2.gz LLDDLWVRYJKTPK-JFGNBEQYSA-N 1 3 237.347 0.337 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000178601233 366145195 /nfs/dbraw/zinc/14/51/95/366145195.db2.gz QCBQIOHALZBPIK-VHSXEESVSA-N 1 3 227.352 0.428 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000167532603 134004459 /nfs/dbraw/zinc/00/44/59/134004459.db2.gz AOQZKPSHHJVBRD-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000167532603 134004460 /nfs/dbraw/zinc/00/44/60/134004460.db2.gz AOQZKPSHHJVBRD-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCCCC1)[C@H](C)[NH3+] ZINC000334621316 354358529 /nfs/dbraw/zinc/35/85/29/354358529.db2.gz SWXMXOXLBVCZBD-DTWKUNHWSA-N 1 3 213.325 0.500 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179012516 366199827 /nfs/dbraw/zinc/19/98/27/366199827.db2.gz CTGLHFZRBCGONR-AXFHLTTASA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000179068825 366203006 /nfs/dbraw/zinc/20/30/06/366203006.db2.gz UNNJJFVGSSRGLQ-LLVKDONJSA-N 1 3 225.336 0.337 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979355 366197417 /nfs/dbraw/zinc/19/74/17/366197417.db2.gz UFJRPAWHTQKHSN-FRRDWIJNSA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979355 366197423 /nfs/dbraw/zinc/19/74/23/366197423.db2.gz UFJRPAWHTQKHSN-FRRDWIJNSA-N 1 3 244.379 0.656 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000334662478 354462766 /nfs/dbraw/zinc/46/27/66/354462766.db2.gz DQDFFUVZTHZQOH-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCCN1CCC[C@@H](COC)C1 ZINC000234392187 363421435 /nfs/dbraw/zinc/42/14/35/363421435.db2.gz SDOZPTHAHZSVAK-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+]1CCC[C@@H](COC)C1 ZINC000234392187 363421442 /nfs/dbraw/zinc/42/14/42/363421442.db2.gz SDOZPTHAHZSVAK-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@H+]1CCC[C@@H](COC)C1 ZINC000234392187 363421448 /nfs/dbraw/zinc/42/14/48/363421448.db2.gz SDOZPTHAHZSVAK-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750831 202020641 /nfs/dbraw/zinc/02/06/41/202020641.db2.gz WTPASDNGZHJORG-BDAKNGLRSA-N 1 3 213.325 0.371 20 0 BCADHO CCn1nncc1CNC1CCC(C[NH3+])CC1 ZINC000530206319 324523385 /nfs/dbraw/zinc/52/33/85/324523385.db2.gz ANDSOMAUPHZNNA-UHFFFAOYSA-N 1 3 237.351 0.905 20 0 BCADHO CCC[C@@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366942950 354908960 /nfs/dbraw/zinc/90/89/60/354908960.db2.gz JATZXUCZEAFUHR-LPEHRKFASA-N 1 3 231.315 0.272 20 0 BCADHO NC1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCCC1 ZINC000335204144 355038789 /nfs/dbraw/zinc/03/87/89/355038789.db2.gz GUUWYPPGIJMBBZ-JTQLQIEISA-N 1 3 225.336 0.455 20 0 BCADHO COC(=O)[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346830208 355128845 /nfs/dbraw/zinc/12/88/45/355128845.db2.gz KEFQTFQGADACJW-QWRGUYRKSA-N 1 3 226.320 0.481 20 0 BCADHO OCCN(Cc1cccnc1)CC1CC[NH2+]CC1 ZINC000346848224 355136666 /nfs/dbraw/zinc/13/66/66/355136666.db2.gz PWOUIPVUAMFSQA-UHFFFAOYSA-N 1 3 249.358 0.876 20 0 BCADHO CCN1CCC[C@@H](NC(=O)CCC[NH2+]C)C1 ZINC000040503659 358493774 /nfs/dbraw/zinc/49/37/74/358493774.db2.gz VGGXEQNTEUBUKX-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO COC[C@](C)(CCO)NC[C@@H]1CCC[NH2+]C1 ZINC000346982278 355184789 /nfs/dbraw/zinc/18/47/89/355184789.db2.gz NWDSKDODARMEJO-NEPJUHHUSA-N 1 3 230.352 0.363 20 0 BCADHO CC(C)(N)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000347001828 355200011 /nfs/dbraw/zinc/20/00/11/355200011.db2.gz IGVJSSSSUVZSGE-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO CC(C)(N)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000347001828 355200012 /nfs/dbraw/zinc/20/00/12/355200012.db2.gz IGVJSSSSUVZSGE-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](C[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000347685308 355269487 /nfs/dbraw/zinc/26/94/87/355269487.db2.gz LCBCJRUMEVTCLL-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO CCNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335281764 355272970 /nfs/dbraw/zinc/27/29/70/355272970.db2.gz XFFTTXFPBGFXPS-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191364176 355394777 /nfs/dbraw/zinc/39/47/77/355394777.db2.gz WNVADWVUWPZHDJ-SNVBAGLBSA-N 1 3 213.325 0.276 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CNC2 ZINC000335800719 355493706 /nfs/dbraw/zinc/49/37/06/355493706.db2.gz YVHZTDHRRHUIAR-ZDUSSCGKSA-N 1 3 245.326 0.772 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335820992 355539100 /nfs/dbraw/zinc/53/91/00/355539100.db2.gz HNRNNKKJZFBCPB-MNOVXSKESA-N 1 3 227.352 0.522 20 0 BCADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC1CC1 ZINC000112332699 181198520 /nfs/dbraw/zinc/19/85/20/181198520.db2.gz HVBDGFPKGVLCJU-GHMZBOCLSA-N 1 3 238.335 0.126 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCN(CC(C)C)CC1 ZINC000582186012 355660453 /nfs/dbraw/zinc/66/04/53/355660453.db2.gz JOOZWIYTHSWNCG-ZDUSSCGKSA-N 1 3 243.395 0.230 20 0 BCADHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC000216465667 356063390 /nfs/dbraw/zinc/06/33/90/356063390.db2.gz JSNUNZYKHVBANE-NSHDSACASA-N 1 3 227.352 0.491 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000351746863 356078963 /nfs/dbraw/zinc/07/89/63/356078963.db2.gz HWMLFGWYIYLFQT-IJLUTSLNSA-N 1 3 241.379 0.768 20 0 BCADHO C[NH2+]CCCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418277953 192012852 /nfs/dbraw/zinc/01/28/52/192012852.db2.gz KAYKYQHEHJEIGV-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000639457753 356243152 /nfs/dbraw/zinc/24/31/52/356243152.db2.gz XKGBHIXTPOEVAX-IRCOFANPSA-N 1 3 210.321 0.563 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127628 134093552 /nfs/dbraw/zinc/09/35/52/134093552.db2.gz GAVWISNBIFVIQU-SCZZXKLOSA-N 1 3 225.336 0.323 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488826 356305456 /nfs/dbraw/zinc/30/54/56/356305456.db2.gz LNOAXDXXDZFKHO-VXGBXAGGSA-N 1 3 249.362 0.649 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488826 356305458 /nfs/dbraw/zinc/30/54/58/356305458.db2.gz LNOAXDXXDZFKHO-VXGBXAGGSA-N 1 3 249.362 0.649 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617750318 356308665 /nfs/dbraw/zinc/30/86/65/356308665.db2.gz AXJHRQOEEGOSEP-LLVKDONJSA-N 1 3 229.368 0.783 20 0 BCADHO CCN(CC)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617750357 356309341 /nfs/dbraw/zinc/30/93/41/356309341.db2.gz BVLHDVLOJSUSRP-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO C[C@@H](CN1CCOCC1)[N@H+](C)CC(C)(C)CN ZINC000420289988 192201179 /nfs/dbraw/zinc/20/11/79/192201179.db2.gz LAWUTOYIFHBOMN-LBPRGKRZSA-N 1 3 243.395 0.624 20 0 BCADHO C[C@@H](CN1CCOCC1)[N@@H+](C)CC(C)(C)CN ZINC000420289988 192201182 /nfs/dbraw/zinc/20/11/82/192201182.db2.gz LAWUTOYIFHBOMN-LBPRGKRZSA-N 1 3 243.395 0.624 20 0 BCADHO CCN(C)C(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420294131 192202735 /nfs/dbraw/zinc/20/27/35/192202735.db2.gz SLIWOBNOTXABAX-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]1CN(CCN[C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353393 192218352 /nfs/dbraw/zinc/21/83/52/192218352.db2.gz BUZZADHEZVKPKP-RYUDHWBXSA-N 1 3 243.395 0.670 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420299674 192207669 /nfs/dbraw/zinc/20/76/69/192207669.db2.gz BGFVJVVUQSUFBK-SRVKXCTJSA-N 1 3 240.347 0.997 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420312971 192209903 /nfs/dbraw/zinc/20/99/03/192209903.db2.gz SUDWXZKDYQZCQX-SDDRHHMPSA-N 1 3 239.363 0.524 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000420309700 192209938 /nfs/dbraw/zinc/20/99/38/192209938.db2.gz FBOOAVCIVIXEDD-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000420309700 192209940 /nfs/dbraw/zinc/20/99/40/192209940.db2.gz FBOOAVCIVIXEDD-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420309700 192209942 /nfs/dbraw/zinc/20/99/42/192209942.db2.gz FBOOAVCIVIXEDD-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[NH2+]CCCN1CCNC[C@](C)(F)C1 ZINC000420325387 192230087 /nfs/dbraw/zinc/23/00/87/192230087.db2.gz DDJGWGFDLRGAHT-JTQLQIEISA-N 1 3 203.305 0.229 20 0 BCADHO [NH3+]CCOCCN1CCC([C@@H]2CCCO2)CC1 ZINC000420364960 192224355 /nfs/dbraw/zinc/22/43/55/192224355.db2.gz ROQQSLKBOCCLTB-ZDUSSCGKSA-N 1 3 242.363 0.853 20 0 BCADHO CN1CC[C@H](NCC[NH3+])[C@H]1c1ccccc1 ZINC000420408706 192239433 /nfs/dbraw/zinc/23/94/33/192239433.db2.gz PSJHXUWBUSXPBR-QWHCGFSZSA-N 1 3 219.332 0.980 20 0 BCADHO CN1CC[C@H]([NH2+]CCN)[C@H]1c1ccccc1 ZINC000420408706 192239436 /nfs/dbraw/zinc/23/94/36/192239436.db2.gz PSJHXUWBUSXPBR-QWHCGFSZSA-N 1 3 219.332 0.980 20 0 BCADHO CCOC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420418594 192241398 /nfs/dbraw/zinc/24/13/98/192241398.db2.gz XAHWVMOAWHTMNA-GHMZBOCLSA-N 1 3 228.336 0.856 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412422 356483012 /nfs/dbraw/zinc/48/30/12/356483012.db2.gz VDKMULDBZGUXMP-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCCN1 ZINC000019409109 356483147 /nfs/dbraw/zinc/48/31/47/356483147.db2.gz NJOWXDVSRBOVSK-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)N ZINC000019422954 356483518 /nfs/dbraw/zinc/48/35/18/356483518.db2.gz YDXVGWGFLSXDFX-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H](N)C(C)C ZINC000019428902 356483626 /nfs/dbraw/zinc/48/36/26/356483626.db2.gz XLJMMHPVGNRSAV-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO NC(=O)[C@H]1CCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000250824119 181279715 /nfs/dbraw/zinc/27/97/15/181279715.db2.gz GWGBYWACNLWZSG-VXGBXAGGSA-N 1 3 239.363 0.716 20 0 BCADHO CCN(CC)CCC[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000420968352 192285125 /nfs/dbraw/zinc/28/51/25/192285125.db2.gz BPKSLYAABSPQJI-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CCC[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000420968352 192285126 /nfs/dbraw/zinc/28/51/26/192285126.db2.gz BPKSLYAABSPQJI-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578130484 366291911 /nfs/dbraw/zinc/29/19/11/366291911.db2.gz MVFTVTHGMVRHNQ-GMTAPVOTSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000578132911 366295289 /nfs/dbraw/zinc/29/52/89/366295289.db2.gz FSASBSPULWJEGN-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000578132909 366295305 /nfs/dbraw/zinc/29/53/05/366295305.db2.gz FSASBSPULWJEGN-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639755140 356658251 /nfs/dbraw/zinc/65/82/51/356658251.db2.gz GUGDHEXWJXCYHL-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO CC[NH+](CC)CCN(CCOC)C(=O)[C@@H](C)N ZINC000167674242 134153552 /nfs/dbraw/zinc/15/35/52/134153552.db2.gz YMIAJCLSDSOOEE-LLVKDONJSA-N 1 3 245.367 0.150 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632881189 356665719 /nfs/dbraw/zinc/66/57/19/356665719.db2.gz ZAKMZEVQADUWKE-UWVGGRQHSA-N 1 3 233.315 0.498 20 0 BCADHO C[NH+](C)C[C@]1(O)CCCN(CC2(C)COC2)C1 ZINC000639762088 356681088 /nfs/dbraw/zinc/68/10/88/356681088.db2.gz KEJTXWZTQWFTBK-CYBMUJFWSA-N 1 3 242.363 0.411 20 0 BCADHO CNC(=O)CC[N@H+](C)CC[C@@H]1CCCN1C ZINC000179981262 366345819 /nfs/dbraw/zinc/34/58/19/366345819.db2.gz AUFUILOMOGWXBW-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CNC(=O)CC[N@@H+](C)CC[C@@H]1CCCN1C ZINC000179981262 366345823 /nfs/dbraw/zinc/34/58/23/366345823.db2.gz AUFUILOMOGWXBW-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1[C@@H](CO)CC[C@@H]1CO ZINC000639781390 356730343 /nfs/dbraw/zinc/73/03/43/356730343.db2.gz AXNCCSSEMFQACG-YNEHKIRRSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1[C@@H](CO)CC[C@@H]1CO ZINC000639781390 356730347 /nfs/dbraw/zinc/73/03/47/356730347.db2.gz AXNCCSSEMFQACG-YNEHKIRRSA-N 1 3 242.363 0.288 20 0 BCADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)C[NH3+] ZINC000357254085 356820641 /nfs/dbraw/zinc/82/06/41/356820641.db2.gz YQTHLZPKDBWYJU-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@@]1(C)CO ZINC000639850469 356853198 /nfs/dbraw/zinc/85/31/98/356853198.db2.gz VRTGCOLOWDKMDW-UPJWGTAASA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@@]1(C)CO ZINC000639850469 356853200 /nfs/dbraw/zinc/85/32/00/356853200.db2.gz VRTGCOLOWDKMDW-UPJWGTAASA-N 1 3 242.363 0.288 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](N)C(C)C ZINC000041680068 358512831 /nfs/dbraw/zinc/51/28/31/358512831.db2.gz PJNBBBYNBFLDHM-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[NH+]1CCC(NCCNC(=O)C(C)C)CC1 ZINC000020125140 356998483 /nfs/dbraw/zinc/99/84/83/356998483.db2.gz KGCNOTYRYKFGPO-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156113893 538769539 /nfs/dbraw/zinc/76/95/39/538769539.db2.gz KFNZBTPDCRCACF-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156113893 538769541 /nfs/dbraw/zinc/76/95/41/538769541.db2.gz KFNZBTPDCRCACF-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000389615399 357004424 /nfs/dbraw/zinc/00/44/24/357004424.db2.gz GHLLRDLYWAUOMW-DTWKUNHWSA-N 1 3 201.314 0.357 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)C1CCOCC1 ZINC000390633275 357108295 /nfs/dbraw/zinc/10/82/95/357108295.db2.gz JCHSRAQSCKWRDA-GFCCVEGCSA-N 1 3 230.352 0.410 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C1CCOCC1 ZINC000390633275 357108296 /nfs/dbraw/zinc/10/82/96/357108296.db2.gz JCHSRAQSCKWRDA-GFCCVEGCSA-N 1 3 230.352 0.410 20 0 BCADHO CCOC(=O)CCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000610080245 357067438 /nfs/dbraw/zinc/06/74/38/357067438.db2.gz ICQZWVMYLQPKMN-RYUDHWBXSA-N 1 3 240.347 0.871 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000389942454 357070455 /nfs/dbraw/zinc/07/04/55/357070455.db2.gz PFIZNFTVLGIJMH-HLTSFMKQSA-N 1 3 201.314 0.071 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000390406367 357097890 /nfs/dbraw/zinc/09/78/90/357097890.db2.gz BNMYPXDTMWHSKE-BBBLOLIVSA-N 1 3 213.325 0.357 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000582425715 357146166 /nfs/dbraw/zinc/14/61/66/357146166.db2.gz KMUJICHECVJQGG-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000582425715 357146170 /nfs/dbraw/zinc/14/61/70/357146170.db2.gz KMUJICHECVJQGG-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CCCOC1 ZINC000582425715 357146172 /nfs/dbraw/zinc/14/61/72/357146172.db2.gz KMUJICHECVJQGG-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)NC ZINC000582856341 357421665 /nfs/dbraw/zinc/42/16/65/357421665.db2.gz NWXSNRFIODNJSM-WDEREUQCSA-N 1 3 245.367 0.067 20 0 BCADHO C[C@H](c1ccccn1)N1CCC(O)(C[NH3+])CC1 ZINC000397028458 357489636 /nfs/dbraw/zinc/48/96/36/357489636.db2.gz NWTPDRDSOGMGCG-LLVKDONJSA-N 1 3 235.331 0.928 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188686325 357571951 /nfs/dbraw/zinc/57/19/51/357571951.db2.gz HPSJVEXDFIFAOO-VHSXEESVSA-N 1 3 231.315 0.144 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCCN1 ZINC000230711017 357572879 /nfs/dbraw/zinc/57/28/79/357572879.db2.gz YGWLNYYTXMNRBJ-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)C(C)C ZINC000230712026 357573469 /nfs/dbraw/zinc/57/34/69/357573469.db2.gz IJFFYDQSNJKLFT-NSHDSACASA-N 1 3 229.368 0.770 20 0 BCADHO CNC(=O)CCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000131808712 325185363 /nfs/dbraw/zinc/18/53/63/325185363.db2.gz OELUAVFDPWUIIN-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CCCN(C)CC[C@H]1CCC[N@H+]1C ZINC000131808712 325185367 /nfs/dbraw/zinc/18/53/67/325185367.db2.gz OELUAVFDPWUIIN-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188726945 357565832 /nfs/dbraw/zinc/56/58/32/357565832.db2.gz ZKOCBNMMTUKKDH-OUAUKWLOSA-N 1 3 243.326 0.144 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188726945 357565833 /nfs/dbraw/zinc/56/58/33/357565833.db2.gz ZKOCBNMMTUKKDH-OUAUKWLOSA-N 1 3 243.326 0.144 20 0 BCADHO CN(C)CCOCC[NH2+]C[C@H]1CCCOC1 ZINC000231676248 357619499 /nfs/dbraw/zinc/61/94/99/357619499.db2.gz KCJONKWLFOXBBN-GFCCVEGCSA-N 1 3 230.352 0.581 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709616 357648182 /nfs/dbraw/zinc/64/81/82/357648182.db2.gz BTIBEWUQCNQDFT-FOGDFJRCSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)CS1 ZINC000397709616 357648187 /nfs/dbraw/zinc/64/81/87/357648187.db2.gz BTIBEWUQCNQDFT-FOGDFJRCSA-N 1 3 244.404 0.925 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000063466449 357659657 /nfs/dbraw/zinc/65/96/57/357659657.db2.gz NEIUSYBVYHLWGQ-JTQLQIEISA-N 1 3 215.341 0.393 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCOCC[NH+](C)C ZINC000233315412 357711952 /nfs/dbraw/zinc/71/19/52/357711952.db2.gz IYCLHQXBHDAGOK-GFCCVEGCSA-N 1 3 245.367 0.198 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000086064872 357808805 /nfs/dbraw/zinc/80/88/05/357808805.db2.gz HLORIGKXXJLWDE-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000086070274 357818182 /nfs/dbraw/zinc/81/81/82/357818182.db2.gz NFRFNQJPOZEVNJ-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO COC(=O)CCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168558082 134226491 /nfs/dbraw/zinc/22/64/91/134226491.db2.gz PHDPTLVYRZWAPU-ZJUUUORDSA-N 1 3 214.309 0.609 20 0 BCADHO COC[C@](C)(CO)[NH2+]CC[C@@H]1CCCN1C ZINC000639957652 357982146 /nfs/dbraw/zinc/98/21/46/357982146.db2.gz RIMIGPXGTWWCEI-RYUDHWBXSA-N 1 3 230.352 0.458 20 0 BCADHO N[C@H](CC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000584468544 357987272 /nfs/dbraw/zinc/98/72/72/357987272.db2.gz XAYCVELCCQXTSJ-CYBMUJFWSA-N 1 3 247.342 0.945 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000219941670 358010716 /nfs/dbraw/zinc/01/07/16/358010716.db2.gz LMKMHXWCPXBZFL-IUCAKERBSA-N 1 3 213.325 0.193 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](C)NC ZINC000220010613 358024618 /nfs/dbraw/zinc/02/46/18/358024618.db2.gz HGLDKOLJBPSJOQ-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](C)NC ZINC000220010613 358024621 /nfs/dbraw/zinc/02/46/21/358024621.db2.gz HGLDKOLJBPSJOQ-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO O=C(CNC1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584524326 358038856 /nfs/dbraw/zinc/03/88/56/358038856.db2.gz MSXZJWLPKXXJBX-MNOVXSKESA-N 1 3 223.320 0.091 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)CNC1CC1 ZINC000037476898 358071274 /nfs/dbraw/zinc/07/12/74/358071274.db2.gz XMQGNXAFUIUCBG-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)CNC1CC1 ZINC000037476898 358071276 /nfs/dbraw/zinc/07/12/76/358071276.db2.gz XMQGNXAFUIUCBG-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000169240345 134250005 /nfs/dbraw/zinc/25/00/05/134250005.db2.gz YJXOSNHSJGBXNI-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810398 134250716 /nfs/dbraw/zinc/25/07/16/134250716.db2.gz MBDZZULCUKOODP-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810398 134250717 /nfs/dbraw/zinc/25/07/17/134250717.db2.gz MBDZZULCUKOODP-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000170786946 134254132 /nfs/dbraw/zinc/25/41/32/134254132.db2.gz IWADRCPCQVXXHI-SECBINFHSA-N 1 3 211.309 0.208 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000584589394 358103294 /nfs/dbraw/zinc/10/32/94/358103294.db2.gz OZIKXNINCXGXHA-MWLCHTKSSA-N 1 3 225.336 0.182 20 0 BCADHO C[NH2+]C[C@H]1CCCN(CCCOC)C1 ZINC000040601617 358243322 /nfs/dbraw/zinc/24/33/22/358243322.db2.gz QSLHTWOJBKYTIH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N)C1 ZINC000040624384 358244571 /nfs/dbraw/zinc/24/45/71/358244571.db2.gz AGWAACZGTXWJKZ-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N)C1 ZINC000040624384 358244574 /nfs/dbraw/zinc/24/45/74/358244574.db2.gz AGWAACZGTXWJKZ-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653216058 491128305 /nfs/dbraw/zinc/12/83/05/491128305.db2.gz PRGOJDOGTULGHZ-NSHDSACASA-N 1 3 227.352 0.749 20 0 BCADHO CCCN(CCN(C)C)C(=O)CCC[NH2+]C ZINC000041680309 358334163 /nfs/dbraw/zinc/33/41/63/358334163.db2.gz IDHQMMYUAPUVDC-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000655447741 491129163 /nfs/dbraw/zinc/12/91/63/491129163.db2.gz DZHNXYPKWMTPKJ-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000655447741 491129164 /nfs/dbraw/zinc/12/91/64/491129164.db2.gz DZHNXYPKWMTPKJ-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000655447740 491129167 /nfs/dbraw/zinc/12/91/67/491129167.db2.gz DZHNXYPKWMTPKJ-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000655447740 491129168 /nfs/dbraw/zinc/12/91/68/491129168.db2.gz DZHNXYPKWMTPKJ-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226875015 358346649 /nfs/dbraw/zinc/34/66/49/358346649.db2.gz XBRAAYKMEQSXBP-YNEHKIRRSA-N 1 3 244.379 0.845 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226875015 358346650 /nfs/dbraw/zinc/34/66/50/358346650.db2.gz XBRAAYKMEQSXBP-YNEHKIRRSA-N 1 3 244.379 0.845 20 0 BCADHO COC(C)(C)CCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000230413858 491130033 /nfs/dbraw/zinc/13/00/33/491130033.db2.gz GWRLKMFSOJKJHF-GHMZBOCLSA-N 1 3 212.337 0.953 20 0 BCADHO C[C@@H](CNC(=O)CCCC[NH3+])N(C)C1CC1 ZINC000227833475 358364712 /nfs/dbraw/zinc/36/47/12/358364712.db2.gz WAHBLHKTCXVMTN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000044538969 358390593 /nfs/dbraw/zinc/39/05/93/358390593.db2.gz ORXBUXDQHXYJHM-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726849 358392549 /nfs/dbraw/zinc/39/25/49/358392549.db2.gz JDWJJYVBOWIYMG-LLVKDONJSA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CCNC(=O)[C@H]1CC[NH2+][C@@H]1C)C1CC1 ZINC000230191435 358396414 /nfs/dbraw/zinc/39/64/14/358396414.db2.gz IZGICFNSEFDINJ-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000230382135 358397566 /nfs/dbraw/zinc/39/75/66/358397566.db2.gz OZDGVPANFKEEGR-BDAKNGLRSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)(C[NH2+][C@H]1CCC[C@@H](N)C1)C(N)=O ZINC000230382135 358397567 /nfs/dbraw/zinc/39/75/67/358397567.db2.gz OZDGVPANFKEEGR-BDAKNGLRSA-N 1 3 213.325 0.357 20 0 BCADHO CO[C@@H]1CN(CCN2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312651 358397599 /nfs/dbraw/zinc/39/75/99/358397599.db2.gz CYVDYUQFNDELQS-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCNC(=O)C2CC2)C1 ZINC000229357914 358403117 /nfs/dbraw/zinc/40/31/17/358403117.db2.gz CZAAUHZRNBKFRF-GHMZBOCLSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCN2CCSCC2)C1 ZINC000230931762 358412419 /nfs/dbraw/zinc/41/24/19/358412419.db2.gz GSFYNXLOQXYGMN-RYUDHWBXSA-N 1 3 243.420 0.895 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948487 358412829 /nfs/dbraw/zinc/41/28/29/358412829.db2.gz BIHCHFYVRFRIFT-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCOC1 ZINC000219316958 134281358 /nfs/dbraw/zinc/28/13/58/134281358.db2.gz HOSRBAFHSCJIJY-NWDGAFQWSA-N 1 3 230.352 0.579 20 0 BCADHO CN(C)Cc1cccc(C(=O)NCCC[NH3+])c1 ZINC000212583952 358603167 /nfs/dbraw/zinc/60/31/67/358603167.db2.gz FYASONCLHNAAJU-UHFFFAOYSA-N 1 3 235.331 0.827 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)N ZINC000167196228 358653012 /nfs/dbraw/zinc/65/30/12/358653012.db2.gz MBTIKOZIVUQAAG-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)N ZINC000167196228 358653017 /nfs/dbraw/zinc/65/30/17/358653017.db2.gz MBTIKOZIVUQAAG-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO COCCOCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000175671810 134286934 /nfs/dbraw/zinc/28/69/34/134286934.db2.gz KULYOJINRMHFOF-LBPRGKRZSA-N 1 3 230.352 0.533 20 0 BCADHO COCCOCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000175671810 134286935 /nfs/dbraw/zinc/28/69/35/134286935.db2.gz KULYOJINRMHFOF-LBPRGKRZSA-N 1 3 230.352 0.533 20 0 BCADHO CC(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131701793 358691126 /nfs/dbraw/zinc/69/11/26/358691126.db2.gz ZANJQMDDQWQAAH-IXMYILBSSA-N 1 3 225.336 0.369 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)C(C)(C)C ZINC000049559607 358694390 /nfs/dbraw/zinc/69/43/90/358694390.db2.gz ZQIXKEROJHNMTD-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)C(C)(C)C ZINC000049559608 358694587 /nfs/dbraw/zinc/69/45/87/358694587.db2.gz ZQIXKEROJHNMTD-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO [NH3+]C1CCC(NC(=O)[C@]2(F)CCNC2)CC1 ZINC000131935419 358701378 /nfs/dbraw/zinc/70/13/78/358701378.db2.gz RTVNXHIZUOKOIN-AMUVOQDHSA-N 1 3 229.299 0.074 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)N(C)C ZINC000133733263 358766747 /nfs/dbraw/zinc/76/67/47/358766747.db2.gz SSNLCPWSBWCMLK-NWDGAFQWSA-N 1 3 241.379 0.737 20 0 BCADHO CCCCN(CC[C@@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919344 358767525 /nfs/dbraw/zinc/76/75/25/358767525.db2.gz LWRRLTXNGFYKQW-LBPRGKRZSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@@H]1NCCN(C(=O)CCCC[NH3+])[C@H]1C ZINC000309456057 358708445 /nfs/dbraw/zinc/70/84/45/358708445.db2.gz NSNFBNFADZMLJX-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+]CC1(C(=O)N2CCCNCC2)CCCC1 ZINC000132603165 358730856 /nfs/dbraw/zinc/73/08/56/358730856.db2.gz WIMGPVXIMADSDS-UHFFFAOYSA-N 1 3 225.336 0.327 20 0 BCADHO CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802257 358738571 /nfs/dbraw/zinc/73/85/71/358738571.db2.gz XNJWXSNETYQFKK-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000578306552 366478273 /nfs/dbraw/zinc/47/82/73/366478273.db2.gz RGDIOSCHGFCDTN-CYBMUJFWSA-N 1 3 249.358 0.754 20 0 BCADHO CCN(C)CCNC(=O)C(CC)(CC)C[NH3+] ZINC000054128959 358853967 /nfs/dbraw/zinc/85/39/67/358853967.db2.gz WITNOLQGXMYRAC-UHFFFAOYSA-N 1 3 229.368 0.819 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NCCN1CCCC1 ZINC000054129052 358854501 /nfs/dbraw/zinc/85/45/01/358854501.db2.gz RKPAWRZABOQCIA-NSHDSACASA-N 1 3 227.352 0.429 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2COCCO2)C1 ZINC000086403387 358967422 /nfs/dbraw/zinc/96/74/22/358967422.db2.gz DFMHFBDWEYJUOK-GMTAPVOTSA-N 1 3 214.309 0.261 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930667 358921019 /nfs/dbraw/zinc/92/10/19/358921019.db2.gz ICJBDDOUTDVTCA-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930897 358921487 /nfs/dbraw/zinc/92/14/87/358921487.db2.gz RKMVJNPNUJUNJM-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380735 358933136 /nfs/dbraw/zinc/93/31/36/358933136.db2.gz SQLUEBVYZUPNIM-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC(C[NH+](C)C)CC1 ZINC000061679219 358936569 /nfs/dbraw/zinc/93/65/69/358936569.db2.gz NBIJIPXZCXICAE-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO COCCNCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423321751 192706308 /nfs/dbraw/zinc/70/63/08/192706308.db2.gz FSRKPAVHISEASH-VXGBXAGGSA-N 1 3 229.368 0.343 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C12CCCN1CCC2 ZINC000423499517 192795056 /nfs/dbraw/zinc/79/50/56/192795056.db2.gz BSOHHMHYBLNRDO-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H]1C ZINC000572406369 359490085 /nfs/dbraw/zinc/49/00/85/359490085.db2.gz QRZKJSNZGTXCHX-QCNOEVLYSA-N 1 3 239.363 0.583 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCOCCN(C)C ZINC000423788890 192836835 /nfs/dbraw/zinc/83/68/35/192836835.db2.gz DRQISNDMDKAMHN-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424078324 192860736 /nfs/dbraw/zinc/86/07/36/192860736.db2.gz QLBDXJMNKDRWKK-JBLDHEPKSA-N 1 3 247.342 0.886 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578364846 366539888 /nfs/dbraw/zinc/53/98/88/366539888.db2.gz KUZCANZJRPBDQN-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000578442126 366569426 /nfs/dbraw/zinc/56/94/26/366569426.db2.gz YZTNCGWGKMDFLJ-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CN(C)C(=O)CCNC[C@@]1(C)CC[NH2+]C1 ZINC000578532201 366593273 /nfs/dbraw/zinc/59/32/73/366593273.db2.gz FWGDAHJYGYHMCU-LLVKDONJSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000578617009 366608885 /nfs/dbraw/zinc/60/88/85/366608885.db2.gz HYOOUIUCQDUYOS-AGIUHOORSA-N 1 3 225.380 0.916 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091207 359936995 /nfs/dbraw/zinc/93/69/95/359936995.db2.gz ZCHJCGYUQQDBTN-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091207 359937000 /nfs/dbraw/zinc/93/70/00/359937000.db2.gz ZCHJCGYUQQDBTN-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091208 359937536 /nfs/dbraw/zinc/93/75/36/359937536.db2.gz ZCHJCGYUQQDBTN-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091208 359937540 /nfs/dbraw/zinc/93/75/40/359937540.db2.gz ZCHJCGYUQQDBTN-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CN1CCC[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612872859 360148678 /nfs/dbraw/zinc/14/86/78/360148678.db2.gz WOLRWFKMHJOFGE-PWSUYJOCSA-N 1 3 240.351 0.132 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@]2(O)CCOC2)CC1(C)C ZINC000623472946 360197055 /nfs/dbraw/zinc/19/70/55/360197055.db2.gz CGGIZKBNQPCTOX-DGCLKSJQSA-N 1 3 242.363 0.600 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@]2(O)CCOC2)CC1(C)C ZINC000623472946 360197059 /nfs/dbraw/zinc/19/70/59/360197059.db2.gz CGGIZKBNQPCTOX-DGCLKSJQSA-N 1 3 242.363 0.600 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@H]1CCCN(C)C1 ZINC000626946080 360529024 /nfs/dbraw/zinc/52/90/24/360529024.db2.gz RDEJQQCQWNXTAH-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO OC[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000631197069 360710031 /nfs/dbraw/zinc/71/00/31/360710031.db2.gz FDZIICJRLYUAJT-RVMXOQNASA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000631197069 360710035 /nfs/dbraw/zinc/71/00/35/360710035.db2.gz FDZIICJRLYUAJT-RVMXOQNASA-N 1 3 224.348 0.974 20 0 BCADHO C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@@H](C)N1 ZINC000153595780 360775003 /nfs/dbraw/zinc/77/50/03/360775003.db2.gz DDRXAVSYGVDAKX-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000155234787 360860176 /nfs/dbraw/zinc/86/01/76/360860176.db2.gz XGCGMFLQBMKCAB-GUBZILKMSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407434 361055944 /nfs/dbraw/zinc/05/59/44/361055944.db2.gz ACXDNYALSGTKEW-DJIHRAIXSA-N 1 3 223.364 0.809 20 0 BCADHO CCn1nccc1CNCCOCCC[NH3+] ZINC000629399666 361050794 /nfs/dbraw/zinc/05/07/94/361050794.db2.gz JUMKXWIHUPAAPW-UHFFFAOYSA-N 1 3 226.324 0.358 20 0 BCADHO CC(C)n1cc(CNCCOCCC[NH3+])cn1 ZINC000629400383 361052121 /nfs/dbraw/zinc/05/21/21/361052121.db2.gz VUIRRBJHGDHVSD-UHFFFAOYSA-N 1 3 240.351 0.919 20 0 BCADHO C[C@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)CN1C1CC1 ZINC000629408657 361059520 /nfs/dbraw/zinc/05/95/20/361059520.db2.gz YBUHJOWKOKIDAU-MRBYEJRBSA-N 1 3 223.364 0.952 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000578986410 366686940 /nfs/dbraw/zinc/68/69/40/366686940.db2.gz YLZFHONHYHQMEA-SNVBAGLBSA-N 1 3 239.363 0.666 20 0 BCADHO COC[C@@H](NCC1([NH3+])CCOCC1)C(C)C ZINC000629521370 361118214 /nfs/dbraw/zinc/11/82/14/361118214.db2.gz NSNYKRVLEDHYHM-LLVKDONJSA-N 1 3 230.352 0.755 20 0 BCADHO NC1(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000336529763 181324139 /nfs/dbraw/zinc/32/41/39/181324139.db2.gz MTYXSVCUQLHGBP-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO COC[C@]1(C)CN(CC2CC[NH2+]CC2)CCO1 ZINC000629508322 361102394 /nfs/dbraw/zinc/10/23/94/361102394.db2.gz YUQPHUTZJUPUSW-ZDUSSCGKSA-N 1 3 242.363 0.723 20 0 BCADHO CCn1nncc1CN[C@@H](CCC[NH3+])COC ZINC000629512244 361107487 /nfs/dbraw/zinc/10/74/87/361107487.db2.gz UEGPFJAHUKJTAS-JTQLQIEISA-N 1 3 241.339 0.142 20 0 BCADHO NC1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000334989125 181323691 /nfs/dbraw/zinc/32/36/91/181323691.db2.gz WWEGJTAZAYTALC-NSHDSACASA-N 1 3 223.320 0.080 20 0 BCADHO C[C@](C[NH3+])(NCCOC1CCOCC1)C1CC1 ZINC000629515580 361113936 /nfs/dbraw/zinc/11/39/36/361113936.db2.gz SWEJBAIHDUMDNK-CYBMUJFWSA-N 1 3 242.363 0.899 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCOC1CCOCC1 ZINC000629516544 361114893 /nfs/dbraw/zinc/11/48/93/361114893.db2.gz JUOJRSAUIYVFKN-RYUDHWBXSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCN1C ZINC000629520882 361116530 /nfs/dbraw/zinc/11/65/30/361116530.db2.gz YQJDENBXVDVLJQ-QJPTWQEYSA-N 1 3 211.353 0.668 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1ccncc1 ZINC000629530076 361147965 /nfs/dbraw/zinc/14/79/65/361147965.db2.gz UMIWYSAHIUMQKY-NSHDSACASA-N 1 3 223.320 0.968 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000629532589 361152448 /nfs/dbraw/zinc/15/24/48/361152448.db2.gz IEMZBVURZQCCSX-AGIUHOORSA-N 1 3 241.379 0.424 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000629532589 361152456 /nfs/dbraw/zinc/15/24/56/361152456.db2.gz IEMZBVURZQCCSX-AGIUHOORSA-N 1 3 241.379 0.424 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1COCCN1C ZINC000629532659 361154412 /nfs/dbraw/zinc/15/44/12/361154412.db2.gz LFAFHZZEFINATA-UPJWGTAASA-N 1 3 241.379 0.295 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000237804778 181327656 /nfs/dbraw/zinc/32/76/56/181327656.db2.gz WKQIUSKIWPXTAS-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NC[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004345 366689147 /nfs/dbraw/zinc/68/91/47/366689147.db2.gz HPZWQYFORJMXAR-YFKTTZPYSA-N 1 3 228.336 0.386 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004342 366692507 /nfs/dbraw/zinc/69/25/07/366692507.db2.gz HPZWQYFORJMXAR-KKOKHZNYSA-N 1 3 228.336 0.386 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC000579004872 366693327 /nfs/dbraw/zinc/69/33/27/366693327.db2.gz SWOCIGTTZQJVCX-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481999 361267832 /nfs/dbraw/zinc/26/78/32/361267832.db2.gz PDEZKKVJBNCWMX-IJLUTSLNSA-N 1 3 210.321 0.537 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481999 361267835 /nfs/dbraw/zinc/26/78/35/361267835.db2.gz PDEZKKVJBNCWMX-IJLUTSLNSA-N 1 3 210.321 0.537 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000579109110 366712199 /nfs/dbraw/zinc/71/21/99/366712199.db2.gz OAASYQSSHQMBAN-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000147674651 181328404 /nfs/dbraw/zinc/32/84/04/181328404.db2.gz ZECYPNUATXVLCZ-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000147674651 181328407 /nfs/dbraw/zinc/32/84/07/181328407.db2.gz ZECYPNUATXVLCZ-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428413214 201013394 /nfs/dbraw/zinc/01/33/94/201013394.db2.gz OLXDFAMDUHJNFW-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000067571213 370685996 /nfs/dbraw/zinc/68/59/96/370685996.db2.gz OVZHGYMIQMXLAN-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000622044525 370673045 /nfs/dbraw/zinc/67/30/45/370673045.db2.gz JBYMQHCDJQWYRT-TUAOUCFPSA-N 1 3 225.336 0.324 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000622044525 370673048 /nfs/dbraw/zinc/67/30/48/370673048.db2.gz JBYMQHCDJQWYRT-TUAOUCFPSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[NH3+] ZINC000428482535 201023608 /nfs/dbraw/zinc/02/36/08/201023608.db2.gz OZKVTTIACFUQPU-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]([NH3+])CCN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000622044480 370677013 /nfs/dbraw/zinc/67/70/13/370677013.db2.gz HPPGHLYDAIBBNI-MVWJERBFSA-N 1 3 227.352 0.080 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000622044479 370677082 /nfs/dbraw/zinc/67/70/82/370677082.db2.gz HPPGHLYDAIBBNI-DLOVCJGASA-N 1 3 227.352 0.080 20 0 BCADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000428904085 201048219 /nfs/dbraw/zinc/04/82/19/201048219.db2.gz YHELKBLMYWQECO-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000429112247 201068677 /nfs/dbraw/zinc/06/86/77/201068677.db2.gz ILDPTWLGRTYAMZ-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000429156110 201073096 /nfs/dbraw/zinc/07/30/96/201073096.db2.gz DSVIABNYWCJSCU-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000429062000 201064403 /nfs/dbraw/zinc/06/44/03/201064403.db2.gz DAGPVJPBZVJWPN-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)N(CC)CC ZINC000429066300 201065477 /nfs/dbraw/zinc/06/54/77/201065477.db2.gz SRKLGVCIBXFVAE-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000429069029 201066414 /nfs/dbraw/zinc/06/64/14/201066414.db2.gz OURVRJBHQNGTKW-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO CC[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000429085197 201066609 /nfs/dbraw/zinc/06/66/09/201066609.db2.gz ZITOYQXAVRHQRX-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429085196 201067013 /nfs/dbraw/zinc/06/70/13/201067013.db2.gz ZITOYQXAVRHQRX-PHIMTYICSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000429393397 201106172 /nfs/dbraw/zinc/10/61/72/201106172.db2.gz KFESKPJJYQUWNH-FOGDFJRCSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000579355338 366767751 /nfs/dbraw/zinc/76/77/51/366767751.db2.gz FSASBSPULWJEGN-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000429289532 201095968 /nfs/dbraw/zinc/09/59/68/201095968.db2.gz BZEWFNDIAVBHGW-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429324018 201102265 /nfs/dbraw/zinc/10/22/65/201102265.db2.gz YYJCXJMKNVZBQM-AXFHLTTASA-N 1 3 227.352 0.665 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429556875 201116634 /nfs/dbraw/zinc/11/66/34/201116634.db2.gz ZEWMPQSUWCNWRK-CHWSQXEVSA-N 1 3 244.379 0.800 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429556875 201116638 /nfs/dbraw/zinc/11/66/38/201116638.db2.gz ZEWMPQSUWCNWRK-CHWSQXEVSA-N 1 3 244.379 0.800 20 0 BCADHO CC[C@H](C(=O)NCC(C)(C)[NH3+])N(CC)CC ZINC000429660784 201123026 /nfs/dbraw/zinc/12/30/26/201123026.db2.gz OMDOEFKVBSZXDL-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)[NH3+] ZINC000429651249 201123641 /nfs/dbraw/zinc/12/36/41/201123641.db2.gz RTQDMXIFEDQIMM-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429554769 201113637 /nfs/dbraw/zinc/11/36/37/201113637.db2.gz CGMVEMKBCXYAJZ-CKYFFXLPSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544302 361422885 /nfs/dbraw/zinc/42/28/85/361422885.db2.gz HNRDWOKEFXZMLG-FIQHERPVSA-N 1 3 227.352 0.093 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629556127 361448777 /nfs/dbraw/zinc/44/87/77/361448777.db2.gz KMLIQQBINDZTAG-AVGNSLFASA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556127 361448783 /nfs/dbraw/zinc/44/87/83/361448783.db2.gz KMLIQQBINDZTAG-AVGNSLFASA-N 1 3 241.379 0.160 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544305 361423330 /nfs/dbraw/zinc/42/33/30/361423330.db2.gz HNRDWOKEFXZMLG-NNYUYHANSA-N 1 3 227.352 0.093 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@@H]1CCCN1C ZINC000629551155 361443627 /nfs/dbraw/zinc/44/36/27/361443627.db2.gz RRVPKEYWBUVIMU-RVMXOQNASA-N 1 3 241.379 0.423 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCN1C ZINC000629551966 361444677 /nfs/dbraw/zinc/44/46/77/361444677.db2.gz YQJDENBXVDVLJQ-SRVKXCTJSA-N 1 3 211.353 0.668 20 0 BCADHO CN(CCN[C@@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000629555962 361448472 /nfs/dbraw/zinc/44/84/72/361448472.db2.gz KCTPEOWOXPGCMQ-NXEZZACHSA-N 1 3 235.322 0.900 20 0 BCADHO CN(CC[NH2+][C@@H]1CCC[C@@H]1CN)CC(F)F ZINC000629555962 361448478 /nfs/dbraw/zinc/44/84/78/361448478.db2.gz KCTPEOWOXPGCMQ-NXEZZACHSA-N 1 3 235.322 0.900 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000433179516 201163070 /nfs/dbraw/zinc/16/30/70/201163070.db2.gz YJUYTPCDQPHQHX-AXFHLTTASA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000433172920 201164306 /nfs/dbraw/zinc/16/43/06/201164306.db2.gz DTCHHFAMMSEIJK-MXWKQRLJSA-N 1 3 227.352 0.426 20 0 BCADHO O[C@@H](CNC[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000629592887 361484751 /nfs/dbraw/zinc/48/47/51/361484751.db2.gz GDOUPAYQYPQPMN-RWMBFGLXSA-N 1 3 242.363 0.194 20 0 BCADHO C(CN1CC[NH2+]CC1)N(C1CC1)C1CC1 ZINC000629566805 361457312 /nfs/dbraw/zinc/45/73/12/361457312.db2.gz IBKBFAIKOHJUAF-UHFFFAOYSA-N 1 3 209.337 0.518 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)N(C)C ZINC000629612368 361498388 /nfs/dbraw/zinc/49/83/88/361498388.db2.gz AZUPNRYEAFHJGL-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000629612590 361499614 /nfs/dbraw/zinc/49/96/14/361499614.db2.gz DQNYEWCWYQKUHL-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)N(C)C ZINC000629610670 361500281 /nfs/dbraw/zinc/50/02/81/361500281.db2.gz DUNWZHTXGJHJRT-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH3+])N(C)C ZINC000629611770 361501668 /nfs/dbraw/zinc/50/16/68/361501668.db2.gz FLNFUNUVDSCLKQ-IUCAKERBSA-N 1 3 201.314 0.038 20 0 BCADHO CC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000629612174 361502246 /nfs/dbraw/zinc/50/22/46/361502246.db2.gz WFYHEFWCSMRHSU-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000629611999 361502837 /nfs/dbraw/zinc/50/28/37/361502837.db2.gz OGKTWTFCBIICAP-GMTAPVOTSA-N 1 3 227.352 0.441 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC000629614693 361503558 /nfs/dbraw/zinc/50/35/58/361503558.db2.gz MSEJDUDCYBKZQX-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000629614992 361503982 /nfs/dbraw/zinc/50/39/82/361503982.db2.gz RDBYUVBZJQMECD-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C ZINC000629615918 361504942 /nfs/dbraw/zinc/50/49/42/361504942.db2.gz ZDJPPVDTHSWEMY-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CO[C@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000629615691 361505209 /nfs/dbraw/zinc/50/52/09/361505209.db2.gz NTPYHHBAMCJULS-YUSALJHKSA-N 1 3 228.336 0.209 20 0 BCADHO CO[C@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629615691 361505216 /nfs/dbraw/zinc/50/52/16/361505216.db2.gz NTPYHHBAMCJULS-YUSALJHKSA-N 1 3 228.336 0.209 20 0 BCADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)N(C)C ZINC000629615589 361505621 /nfs/dbraw/zinc/50/56/21/361505621.db2.gz VVFHDGKHGNMOMG-PWSUYJOCSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)N(C)C ZINC000629616336 361506605 /nfs/dbraw/zinc/50/66/05/361506605.db2.gz ZXZGGLDDKYPROE-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)C ZINC000629613347 361507659 /nfs/dbraw/zinc/50/76/59/361507659.db2.gz OIPXQZXGRDXYKL-JQWIXIFHSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)N(C)C ZINC000629612337 361497898 /nfs/dbraw/zinc/49/78/98/361497898.db2.gz CSKMZXNTKARYLD-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCOC1CC(CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309956857 491158828 /nfs/dbraw/zinc/15/88/28/491158828.db2.gz IREBULJTTNPAII-UNTZMWQOSA-N 1 3 224.348 0.953 20 0 BCADHO COC1(CN(C)C[C@@H](O)C[NH3+])CCCC1 ZINC000629648076 361539194 /nfs/dbraw/zinc/53/91/94/361539194.db2.gz GPNAYAIMTOSEKI-JTQLQIEISA-N 1 3 216.325 0.197 20 0 BCADHO COC1(C[N@H+](C)C[C@@H](O)CN)CCCC1 ZINC000629648076 361539197 /nfs/dbraw/zinc/53/91/97/361539197.db2.gz GPNAYAIMTOSEKI-JTQLQIEISA-N 1 3 216.325 0.197 20 0 BCADHO COC1(C[N@@H+](C)C[C@@H](O)CN)CCCC1 ZINC000629648076 361539203 /nfs/dbraw/zinc/53/92/03/361539203.db2.gz GPNAYAIMTOSEKI-JTQLQIEISA-N 1 3 216.325 0.197 20 0 BCADHO Cn1ccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000629648254 361540793 /nfs/dbraw/zinc/54/07/93/361540793.db2.gz JYPHEQSXRUJMHC-UHFFFAOYSA-N 1 3 223.320 0.311 20 0 BCADHO COC1(C[NH2+]C[C@H]2CNCCCO2)CCCC1 ZINC000629648890 361542240 /nfs/dbraw/zinc/54/22/40/361542240.db2.gz BPWHEKYXOPHSDM-GFCCVEGCSA-N 1 3 242.363 0.914 20 0 BCADHO C[NH2+]CCOCCN(C)Cc1[nH]ncc1C ZINC000629652657 361551382 /nfs/dbraw/zinc/55/13/82/361551382.db2.gz BDQFFELRKITLTB-UHFFFAOYSA-N 1 3 226.324 0.386 20 0 BCADHO CCN(CC[NH3+])Cc1nc2c(s1)CNCC2 ZINC000629651763 361556916 /nfs/dbraw/zinc/55/69/16/361556916.db2.gz XZYUOLVSLUMFSC-UHFFFAOYSA-N 1 3 240.376 0.569 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NCC1=CCCOC1 ZINC000379739503 361574377 /nfs/dbraw/zinc/57/43/77/361574377.db2.gz ZNQBGXOPSDHICA-PWSUYJOCSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739503 361574383 /nfs/dbraw/zinc/57/43/83/361574383.db2.gz ZNQBGXOPSDHICA-PWSUYJOCSA-N 1 3 210.321 0.921 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000434858637 201243891 /nfs/dbraw/zinc/24/38/91/201243891.db2.gz APQUTIPHXURVGP-VHSXEESVSA-N 1 3 245.392 0.181 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000434682309 201233665 /nfs/dbraw/zinc/23/36/65/201233665.db2.gz VUJQZIQAQDETFM-CMPLNLGQSA-N 1 3 239.363 0.809 20 0 BCADHO CCCC[C@H](COC)NC[C@H](O)C[NH+](C)C ZINC000154329716 201275812 /nfs/dbraw/zinc/27/58/12/201275812.db2.gz RCHXPAOHYUAZHN-NEPJUHHUSA-N 1 3 232.368 0.704 20 0 BCADHO C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N(C)C ZINC000436309628 201321330 /nfs/dbraw/zinc/32/13/30/201321330.db2.gz OVKOUAMEFLKLQT-DMDPSCGWSA-N 1 3 239.363 0.442 20 0 BCADHO COc1cccc(C[C@@H](C)NCCC[NH3+])n1 ZINC000437788607 201374825 /nfs/dbraw/zinc/37/48/25/201374825.db2.gz UOGYRELKAQCRBD-SNVBAGLBSA-N 1 3 223.320 0.960 20 0 BCADHO COc1cccc(C[C@@H](C)[NH2+]CCCN)n1 ZINC000437788607 201374828 /nfs/dbraw/zinc/37/48/28/201374828.db2.gz UOGYRELKAQCRBD-SNVBAGLBSA-N 1 3 223.320 0.960 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000627245616 363849408 /nfs/dbraw/zinc/84/94/08/363849408.db2.gz QVTUWKPORSIIAV-UKKRHICBSA-N 1 3 240.351 0.129 20 0 BCADHO CN(C)CCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604568 364328511 /nfs/dbraw/zinc/32/85/11/364328511.db2.gz BKMVEVLVKSJESN-JTQLQIEISA-N 1 3 223.324 0.134 20 0 BCADHO CCC[C@@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630606478 364329639 /nfs/dbraw/zinc/32/96/39/364329639.db2.gz YNFLEBCLTKIDEF-NXEZZACHSA-N 1 3 223.324 0.830 20 0 BCADHO CC(C)(C)[C@H](N)c1cn(CC2C[NH2+]C2)nn1 ZINC000630613140 364341354 /nfs/dbraw/zinc/34/13/54/364341354.db2.gz IEZMJFWUNHSAOA-SNVBAGLBSA-N 1 3 223.324 0.543 20 0 BCADHO COC[C@H](C)CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000398972657 364401521 /nfs/dbraw/zinc/40/15/21/364401521.db2.gz XELDRAKQWDYBJB-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO NC(=O)c1cccc(CN2CCC(C[NH3+])CC2)c1 ZINC000044513689 181365164 /nfs/dbraw/zinc/36/51/64/181365164.db2.gz FMFUVZOYUZDNDZ-UHFFFAOYSA-N 1 3 247.342 0.956 20 0 BCADHO [NH3+]CCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973477 181366397 /nfs/dbraw/zinc/36/63/97/181366397.db2.gz ORHDYLGGZZQCSW-LLVKDONJSA-N 1 3 225.336 0.422 20 0 BCADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN1C ZINC000615309113 364683881 /nfs/dbraw/zinc/68/38/81/364683881.db2.gz QJQISWSHBAUOTO-GRYCIOLGSA-N 1 3 239.363 0.632 20 0 BCADHO [NH3+]CCC1CCN(CCN2CCOCC2)CC1 ZINC000042427621 181371240 /nfs/dbraw/zinc/37/12/40/181371240.db2.gz STNAWMZDCWXDCX-UHFFFAOYSA-N 1 3 241.379 0.379 20 0 BCADHO CC(C)(N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000573565387 364863070 /nfs/dbraw/zinc/86/30/70/364863070.db2.gz IHOYWJRCUSRKAL-VIFPVBQESA-N 1 3 248.330 0.573 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000573487689 364845691 /nfs/dbraw/zinc/84/56/91/364845691.db2.gz JJTAVLNWGGFWTB-OIBJUYFYSA-N 1 3 237.294 0.603 20 0 BCADHO [NH3+]CCCC(=O)NCc1ccc2c(c1)CNC2 ZINC000188753081 181372594 /nfs/dbraw/zinc/37/25/94/181372594.db2.gz AQFDJXBIDLDMJK-UHFFFAOYSA-N 1 3 233.315 0.645 20 0 BCADHO [NH3+]CCCCCCC(=O)N1CCCNCC1 ZINC000035738345 181373534 /nfs/dbraw/zinc/37/35/34/181373534.db2.gz RUGQNQZRDFULNZ-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO [NH3+]CCC1CCN(C(=O)CNC2CC2)CC1 ZINC000583507395 541422164 /nfs/dbraw/zinc/42/21/64/541422164.db2.gz XATYONFBZPYOHM-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO NCCC[N@H+](CCO)C1CCCCC1 ZINC000036732248 181379840 /nfs/dbraw/zinc/37/98/40/181379840.db2.gz VLKJXVWYLMLFIN-UHFFFAOYSA-N 1 3 200.326 0.962 20 0 BCADHO NCCC[N@@H+](CCO)C1CCCCC1 ZINC000036732248 181379842 /nfs/dbraw/zinc/37/98/42/181379842.db2.gz VLKJXVWYLMLFIN-UHFFFAOYSA-N 1 3 200.326 0.962 20 0 BCADHO CO[C@@H]1COC[C@@H]1[NH2+]CC[C@H]1CCCCN1C ZINC000574166287 365001574 /nfs/dbraw/zinc/00/15/74/365001574.db2.gz WNBRFNUAVLPLCR-FRRDWIJNSA-N 1 3 242.363 0.864 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C1CC1)N(C)C ZINC000162174076 541446763 /nfs/dbraw/zinc/44/67/63/541446763.db2.gz PECIJZIQCARMPP-ZYHUDNBSSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000162174076 541446769 /nfs/dbraw/zinc/44/67/69/541446769.db2.gz PECIJZIQCARMPP-ZYHUDNBSSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)CNC ZINC000574525572 365084084 /nfs/dbraw/zinc/08/40/84/365084084.db2.gz RCYTYVYCHYABBG-GARJFASQSA-N 1 3 202.342 0.981 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)CC1(C)C ZINC000574581709 365096427 /nfs/dbraw/zinc/09/64/27/365096427.db2.gz PLKASUYELFGZOM-LBPRGKRZSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)CC1(C)C ZINC000574581709 365096435 /nfs/dbraw/zinc/09/64/35/365096435.db2.gz PLKASUYELFGZOM-LBPRGKRZSA-N 1 3 243.395 0.325 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000574811727 365150747 /nfs/dbraw/zinc/15/07/47/365150747.db2.gz QKVXIASCOQQOPB-OUAUKWLOSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)CC[C@@H](O)CNC[C@@H](O)C[NH+](C)C ZINC000574876540 365156757 /nfs/dbraw/zinc/15/67/57/365156757.db2.gz ASJKYMFFXDADNC-VXGBXAGGSA-N 1 3 232.368 0.296 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000575039025 365173796 /nfs/dbraw/zinc/17/37/96/365173796.db2.gz KUTAZRHKQMDIRX-LLVKDONJSA-N 1 3 219.288 0.706 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCC(C)CC1 ZINC000444158170 193037950 /nfs/dbraw/zinc/03/79/50/193037950.db2.gz GPDMYQIYJHQHHR-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCC(C)CC1 ZINC000444158162 193038750 /nfs/dbraw/zinc/03/87/50/193038750.db2.gz GPDMYQIYJHQHHR-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000444191664 193041683 /nfs/dbraw/zinc/04/16/83/193041683.db2.gz XVFYDXGVKXAUFX-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444193458 193041724 /nfs/dbraw/zinc/04/17/24/193041724.db2.gz RELDJENSIIENGC-WZRBSPASSA-N 1 3 237.347 0.196 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444193455 193041883 /nfs/dbraw/zinc/04/18/83/193041883.db2.gz RELDJENSIIENGC-MDZLAQPJSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)N(C)C ZINC000444259475 193042390 /nfs/dbraw/zinc/04/23/90/193042390.db2.gz MXZCJDINAQSTQZ-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C)CN1 ZINC000444265853 193043997 /nfs/dbraw/zinc/04/39/97/193043997.db2.gz RWLXTQXNHKPMBZ-HNCHTBHHSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000444269720 193044175 /nfs/dbraw/zinc/04/41/75/193044175.db2.gz MAGMWZFKCRNAIG-OUAUKWLOSA-N 1 3 225.336 0.289 20 0 BCADHO CSC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000575917322 365412301 /nfs/dbraw/zinc/41/23/01/365412301.db2.gz UYPWFQBEWVJSCJ-GARJFASQSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000575917322 365412305 /nfs/dbraw/zinc/41/23/05/365412305.db2.gz UYPWFQBEWVJSCJ-GARJFASQSA-N 1 3 232.393 0.783 20 0 BCADHO CN1CCC(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000576038678 365457979 /nfs/dbraw/zinc/45/79/79/365457979.db2.gz JXWJFYMDKZZHRK-VIFPVBQESA-N 1 3 249.305 0.427 20 0 BCADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CNC1CC1 ZINC000579590150 366894357 /nfs/dbraw/zinc/89/43/57/366894357.db2.gz MAKPAHMZEYBROP-HMKSTLMESA-N 1 3 237.347 0.371 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000576105610 365487347 /nfs/dbraw/zinc/48/73/47/365487347.db2.gz GSNBTLWHWKXLCN-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CNC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156091933 541485600 /nfs/dbraw/zinc/48/56/00/541485600.db2.gz DNJMYYOWMSOZPY-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CNC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156091933 541485605 /nfs/dbraw/zinc/48/56/05/541485605.db2.gz DNJMYYOWMSOZPY-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+]CCCN[C@@H]1CCN(CCOC)C1 ZINC000579701416 366983098 /nfs/dbraw/zinc/98/30/98/366983098.db2.gz ZWOHCTQXNPRPIG-GFCCVEGCSA-N 1 3 229.368 0.296 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CCCC[NH3+] ZINC000579710724 366988260 /nfs/dbraw/zinc/98/82/60/366988260.db2.gz PIGBYUVTCUNNQN-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO C[C@@H](CC(N)=O)NC1CC[NH+](CC2CC2)CC1 ZINC000579766456 367003735 /nfs/dbraw/zinc/00/37/35/367003735.db2.gz OLYLLKFZMJDUTQ-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000579838409 367040391 /nfs/dbraw/zinc/04/03/91/367040391.db2.gz UWDMWCXBSKPXEB-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000579859241 367056430 /nfs/dbraw/zinc/05/64/30/367056430.db2.gz LQGMPVRQMFQSAF-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000579859241 367056433 /nfs/dbraw/zinc/05/64/33/367056433.db2.gz LQGMPVRQMFQSAF-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000580726686 367151036 /nfs/dbraw/zinc/15/10/36/367151036.db2.gz ZTTZAMPYQVXOFH-NWDGAFQWSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941854 367211917 /nfs/dbraw/zinc/21/19/17/367211917.db2.gz DNHRBKRKFALMLI-IJLUTSLNSA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000581250579 367309262 /nfs/dbraw/zinc/30/92/62/367309262.db2.gz QGVVLFNKJIEBFS-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](N)C(C)(C)C ZINC000581252477 367310654 /nfs/dbraw/zinc/31/06/54/367310654.db2.gz USFLCQXCXFXLOI-IVZWLZJFSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000581488182 367519336 /nfs/dbraw/zinc/51/93/36/367519336.db2.gz SYGFDVMBQICIOZ-HTRCEHHLSA-N 1 3 235.278 0.226 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000382949218 367571331 /nfs/dbraw/zinc/57/13/31/367571331.db2.gz LDYGGYYZANJHTP-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(C)CC1 ZINC000382943039 367571848 /nfs/dbraw/zinc/57/18/48/367571848.db2.gz JKOHKXCJKGRRIG-JTQLQIEISA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCN1CCCCC1 ZINC000382947323 367572011 /nfs/dbraw/zinc/57/20/11/367572011.db2.gz KPAKLNWEHBMMIA-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000382976437 367579083 /nfs/dbraw/zinc/57/90/83/367579083.db2.gz SPOYODNJHOZELX-NHCYSSNCSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000382976437 367579088 /nfs/dbraw/zinc/57/90/88/367579088.db2.gz SPOYODNJHOZELX-NHCYSSNCSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000382962643 367573147 /nfs/dbraw/zinc/57/31/47/367573147.db2.gz PCBSJGXZBLKTEY-JTQLQIEISA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCN1CCCC1 ZINC000383123592 367597963 /nfs/dbraw/zinc/59/79/63/367597963.db2.gz HCBWIPXDXHRKJL-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)C2(N)CC2)cc1 ZINC000565834017 325962337 /nfs/dbraw/zinc/96/23/37/325962337.db2.gz RJTKZALVQXIXSU-UHFFFAOYSA-N 1 3 219.288 0.836 20 0 BCADHO COC1(CNC[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000383733885 367649907 /nfs/dbraw/zinc/64/99/07/367649907.db2.gz HKNXNRVWHRQVDT-LBPRGKRZSA-N 1 3 242.363 0.600 20 0 BCADHO COC1(CNC[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000383733885 367649909 /nfs/dbraw/zinc/64/99/09/367649909.db2.gz HKNXNRVWHRQVDT-LBPRGKRZSA-N 1 3 242.363 0.600 20 0 BCADHO [NH3+]CC1(O)CCN(C[C@@H]2CCCCO2)CC1 ZINC000383819627 367654262 /nfs/dbraw/zinc/65/42/62/367654262.db2.gz HBXVEHFUWKKLDB-NSHDSACASA-N 1 3 228.336 0.341 20 0 BCADHO [NH3+]CC1(O)CCN(C[C@H]2CCCCO2)CC1 ZINC000383819626 367654591 /nfs/dbraw/zinc/65/45/91/367654591.db2.gz HBXVEHFUWKKLDB-LLVKDONJSA-N 1 3 228.336 0.341 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384797467 367734556 /nfs/dbraw/zinc/73/45/56/367734556.db2.gz AUOCLZPORVFSPF-OUAUKWLOSA-N 1 3 223.320 0.043 20 0 BCADHO CN(C)C[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384819821 367736595 /nfs/dbraw/zinc/73/65/95/367736595.db2.gz OKBDILIHNIAKIN-CHWSQXEVSA-N 1 3 247.342 0.767 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000581884722 367875513 /nfs/dbraw/zinc/87/55/13/367875513.db2.gz UTQQRIQFMALJNL-VHSXEESVSA-N 1 3 227.352 0.476 20 0 BCADHO CN(C(=O)CCCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000566193868 326009875 /nfs/dbraw/zinc/00/98/75/326009875.db2.gz OBYVCLTZLFMZIM-GFCCVEGCSA-N 1 3 239.363 0.811 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386620890 368003830 /nfs/dbraw/zinc/00/38/30/368003830.db2.gz YEFAKYWGYIPQPM-TUAOUCFPSA-N 1 3 230.352 0.504 20 0 BCADHO C[C@H](C(=O)NCC[NH3+])[C@@H](N)c1ccccc1 ZINC000087645622 367952294 /nfs/dbraw/zinc/95/22/94/367952294.db2.gz VPYUKDVKTRFKIU-GXSJLCMTSA-N 1 3 221.304 0.397 20 0 BCADHO C[C@H](O)[C@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000386935714 368036551 /nfs/dbraw/zinc/03/65/51/368036551.db2.gz SNIDWNKOEMJOCO-SDDRHHMPSA-N 1 3 230.352 0.192 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000566560637 326064242 /nfs/dbraw/zinc/06/42/42/326064242.db2.gz FIDOZZWGOIRLOA-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000081018630 368567110 /nfs/dbraw/zinc/56/71/10/368567110.db2.gz FCVQJOTZNMDWEL-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1CC[N@H+](CC(C)(C)O)C[C@H]1CN ZINC000253182042 368604706 /nfs/dbraw/zinc/60/47/06/368604706.db2.gz FQHIFZZBPMDKBC-NXEZZACHSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]1CC[N@@H+](CC(C)(C)O)C[C@H]1CN ZINC000253182042 368604713 /nfs/dbraw/zinc/60/47/13/368604713.db2.gz FQHIFZZBPMDKBC-NXEZZACHSA-N 1 3 200.326 0.674 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000068064573 368712041 /nfs/dbraw/zinc/71/20/41/368712041.db2.gz IXHUBAHZWRETDM-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457366988 203046687 /nfs/dbraw/zinc/04/66/87/203046687.db2.gz WAFVEXGIOVOAIC-NAKRPEOUSA-N 1 3 227.352 0.554 20 0 BCADHO CN(C)C(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403306 368880387 /nfs/dbraw/zinc/88/03/87/368880387.db2.gz GZQOVOLCUWRJMA-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086403306 368880389 /nfs/dbraw/zinc/88/03/89/368880389.db2.gz GZQOVOLCUWRJMA-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1CN ZINC000631828996 369003819 /nfs/dbraw/zinc/00/38/19/369003819.db2.gz DGKCEUVWELMZTJ-WUHRBBMRSA-N 1 3 242.363 0.707 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1CN ZINC000631828996 369003822 /nfs/dbraw/zinc/00/38/22/369003822.db2.gz DGKCEUVWELMZTJ-WUHRBBMRSA-N 1 3 242.363 0.707 20 0 BCADHO CCC[N@H+](C)CC(=O)N(C)CC1CN(C)C1 ZINC000618194022 369085143 /nfs/dbraw/zinc/08/51/43/369085143.db2.gz MRYAYLOMAVUPMM-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO CCC[N@@H+](C)CC(=O)N(C)CC1CN(C)C1 ZINC000618194022 369085146 /nfs/dbraw/zinc/08/51/46/369085146.db2.gz MRYAYLOMAVUPMM-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO COC[C@@H](C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000310250759 326188328 /nfs/dbraw/zinc/18/83/28/326188328.db2.gz NZJXIZZAWVUTME-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO CN1CCC[C@@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000618546838 369168885 /nfs/dbraw/zinc/16/88/85/369168885.db2.gz ILMZESCBKHPMKZ-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000459066112 203228355 /nfs/dbraw/zinc/22/83/55/203228355.db2.gz URRFRQLZQVYRMX-JTQLQIEISA-N 1 3 244.383 0.576 20 0 BCADHO CCOC(=O)CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404905641 369438673 /nfs/dbraw/zinc/43/86/73/369438673.db2.gz ROMYLLLROYFRBR-DTWKUNHWSA-N 1 3 214.309 0.655 20 0 BCADHO CCOC(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404905641 369438680 /nfs/dbraw/zinc/43/86/80/369438680.db2.gz ROMYLLLROYFRBR-DTWKUNHWSA-N 1 3 214.309 0.655 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404952070 369440300 /nfs/dbraw/zinc/44/03/00/369440300.db2.gz JBQXDTWQWUGFMH-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO COC(=O)C[C@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000259913048 370955248 /nfs/dbraw/zinc/95/52/48/370955248.db2.gz GODONDJBEMPMLO-GHMZBOCLSA-N 1 3 226.320 0.623 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000567847296 326269278 /nfs/dbraw/zinc/26/92/78/326269278.db2.gz HAKQXFMNDQYCON-UMNHJUIQSA-N 1 3 227.352 0.748 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCN1)C1CC1 ZINC000165603594 203384680 /nfs/dbraw/zinc/38/46/80/203384680.db2.gz BSOWTVUKSDCEEQ-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165603192 203385286 /nfs/dbraw/zinc/38/52/86/203385286.db2.gz OLAQUEAYHGUHHC-NWDGAFQWSA-N 1 3 241.379 0.816 20 0 BCADHO CN(C(=O)[C@H](N)CC(F)F)C1(C[NH3+])CCC1 ZINC000567912762 326282581 /nfs/dbraw/zinc/28/25/81/326282581.db2.gz UDHVACJVSZVCDA-SSDOTTSWSA-N 1 3 235.278 0.309 20 0 BCADHO C[C@@H]1CN(C(=O)CCCC[NH3+])[C@@H](C)CN1 ZINC000309760655 370255501 /nfs/dbraw/zinc/25/55/01/370255501.db2.gz IPQBNYLMVMUKTF-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310364554 370340114 /nfs/dbraw/zinc/34/01/14/370340114.db2.gz LNUKMLTWUXMPBR-IUCAKERBSA-N 1 3 249.305 0.427 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310364554 370340122 /nfs/dbraw/zinc/34/01/22/370340122.db2.gz LNUKMLTWUXMPBR-IUCAKERBSA-N 1 3 249.305 0.427 20 0 BCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000621685347 370435924 /nfs/dbraw/zinc/43/59/24/370435924.db2.gz CUGGFKHRARXNLR-NQBHXWOUSA-N 1 3 237.347 0.468 20 0 BCADHO N[C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCC1 ZINC000621683099 370431296 /nfs/dbraw/zinc/43/12/96/370431296.db2.gz PYGYAVXQBXVTOO-GMXVVIOVSA-N 1 3 237.347 0.454 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682722 370431559 /nfs/dbraw/zinc/43/15/59/370431559.db2.gz JZNPBRUNUKKDQN-GIPNMCIBSA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621683516 370432846 /nfs/dbraw/zinc/43/28/46/370432846.db2.gz XDZMARXFFRHJQB-SKDRFNHKSA-N 1 3 223.320 0.208 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684138 370433673 /nfs/dbraw/zinc/43/36/73/370433673.db2.gz IAPLZAOKDKXZSZ-KWQFWETISA-N 1 3 211.309 0.064 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684433 370434712 /nfs/dbraw/zinc/43/47/12/370434712.db2.gz MISBGPLCMRCVEX-GVXVVHGQSA-N 1 3 239.363 0.700 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684506 370434762 /nfs/dbraw/zinc/43/47/62/370434762.db2.gz NIMLWGATBSDWNQ-XLDPMVHQSA-N 1 3 247.289 0.309 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621686661 370436765 /nfs/dbraw/zinc/43/67/65/370436765.db2.gz WSBYPNBNJHLYFG-DRZSPHRISA-N 1 3 239.363 0.844 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690551 370439148 /nfs/dbraw/zinc/43/91/48/370439148.db2.gz VVCIDAKGUUTPGH-WCQYABFASA-N 1 3 239.363 0.668 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621784519 370538325 /nfs/dbraw/zinc/53/83/25/370538325.db2.gz QCKVXAZXQOHHMJ-AAEUAGOBSA-N 1 3 239.363 0.668 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(N)C1 ZINC000621784519 370538329 /nfs/dbraw/zinc/53/83/29/370538329.db2.gz QCKVXAZXQOHHMJ-AAEUAGOBSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C12CCCN1CCC2 ZINC000569004613 326386456 /nfs/dbraw/zinc/38/64/56/326386456.db2.gz HZSIJAIVKOWWTD-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](NC(=O)CNC1CC1)[C@H]1CCC[NH2+]C1 ZINC000569095025 326389500 /nfs/dbraw/zinc/38/95/00/326389500.db2.gz BSKJMHLWVJIFAH-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2COCCN2C)CC[N@@H+]1C ZINC000624174264 371365487 /nfs/dbraw/zinc/36/54/87/371365487.db2.gz UVCCXYHPXAQQDR-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2COCCN2C)CC[N@H+]1C ZINC000624174264 371365497 /nfs/dbraw/zinc/36/54/97/371365497.db2.gz UVCCXYHPXAQQDR-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627650131 371807579 /nfs/dbraw/zinc/80/75/79/371807579.db2.gz YWNLKMOEVFOAKC-PJXYFTJBSA-N 1 3 239.363 0.347 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)N(C)C ZINC000627652768 371811697 /nfs/dbraw/zinc/81/16/97/371811697.db2.gz SBLNQJVZHLWDEN-KXNHARMFSA-N 1 3 239.363 0.345 20 0 BCADHO C[C@]1(C[NH3+])CCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631825884 372603574 /nfs/dbraw/zinc/60/35/74/372603574.db2.gz XVWWUDNZUBWDPB-CMPLNLGQSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@]1(CN)CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825884 372603579 /nfs/dbraw/zinc/60/35/79/372603579.db2.gz XVWWUDNZUBWDPB-CMPLNLGQSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@]1(CN)CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631825884 372603585 /nfs/dbraw/zinc/60/35/85/372603585.db2.gz XVWWUDNZUBWDPB-CMPLNLGQSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC000631823510 372602564 /nfs/dbraw/zinc/60/25/64/372602564.db2.gz GIOJSSSNXMXXOV-HBNTYKKESA-N 1 3 235.335 0.435 20 0 BCADHO CN(C[C@H]1CCc2ncnn21)CC(C)(C)C[NH3+] ZINC000631821692 372597615 /nfs/dbraw/zinc/59/76/15/372597615.db2.gz GBMSTNULCAMSOS-SNVBAGLBSA-N 1 3 237.351 0.682 20 0 BCADHO C[N@H+](C[C@H]1CCc2ncnn21)CC(C)(C)CN ZINC000631821692 372597623 /nfs/dbraw/zinc/59/76/23/372597623.db2.gz GBMSTNULCAMSOS-SNVBAGLBSA-N 1 3 237.351 0.682 20 0 BCADHO C[N@@H+](C[C@H]1CCc2ncnn21)CC(C)(C)CN ZINC000631821692 372597629 /nfs/dbraw/zinc/59/76/29/372597629.db2.gz GBMSTNULCAMSOS-SNVBAGLBSA-N 1 3 237.351 0.682 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000631822249 372598630 /nfs/dbraw/zinc/59/86/30/372598630.db2.gz XVXBTSSXZSFDLC-QJPTWQEYSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1CCCO[C@H](C[NH3+])C1 ZINC000631828748 372609677 /nfs/dbraw/zinc/60/96/77/372609677.db2.gz XIFPKEYTYRNZGT-QJPTWQEYSA-N 1 3 228.336 0.461 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837528 372629958 /nfs/dbraw/zinc/62/99/58/372629958.db2.gz CLPSELJTNCCIJV-GHMZBOCLSA-N 1 3 227.352 0.381 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837528 372629963 /nfs/dbraw/zinc/62/99/63/372629963.db2.gz CLPSELJTNCCIJV-GHMZBOCLSA-N 1 3 227.352 0.381 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837528 372629968 /nfs/dbraw/zinc/62/99/68/372629968.db2.gz CLPSELJTNCCIJV-GHMZBOCLSA-N 1 3 227.352 0.381 20 0 BCADHO C[C@@H]1CN(CCn2cccn2)C[C@H]1C[NH3+] ZINC000631838347 372631853 /nfs/dbraw/zinc/63/18/53/372631853.db2.gz MTGKWWWZHARFAT-GHMZBOCLSA-N 1 3 208.309 0.410 20 0 BCADHO CC[C@@H]1CN(C[C@@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631824779 372604019 /nfs/dbraw/zinc/60/40/19/372604019.db2.gz QBDXSEYSPHXPBL-GRYCIOLGSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825864 372604588 /nfs/dbraw/zinc/60/45/88/372604588.db2.gz XKGBHIXTPOEVAX-WHOHXGKFSA-N 1 3 210.321 0.563 20 0 BCADHO CC1(F)CCN(CCN2CC[NH2+]CC2)CC1 ZINC000631867331 372669761 /nfs/dbraw/zinc/66/97/61/372669761.db2.gz QSTSXIHMAZQPLO-UHFFFAOYSA-N 1 3 229.343 0.716 20 0 BCADHO CC(C)(N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000069679497 373585149 /nfs/dbraw/zinc/58/51/49/373585149.db2.gz ITWSPETWRQTHIM-UHFFFAOYSA-N 1 3 223.324 0.568 20 0 BCADHO O=C(NCCN1CCCCC1)C1CC[NH2+]CC1 ZINC000049575451 182184122 /nfs/dbraw/zinc/18/41/22/182184122.db2.gz XSEBOVUALKGFKV-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000131839423 182199612 /nfs/dbraw/zinc/19/96/12/182199612.db2.gz KUOUPIYBLBPUOQ-NWDGAFQWSA-N 1 3 239.363 0.634 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000131839804 182200677 /nfs/dbraw/zinc/20/06/77/182200677.db2.gz KUOUPIYBLBPUOQ-VXGBXAGGSA-N 1 3 239.363 0.634 20 0 BCADHO O=C(NCc1ccc2c(c1)CNC2)[C@H]1CC[NH2+]C1 ZINC000188753232 182251686 /nfs/dbraw/zinc/25/16/86/182251686.db2.gz CEMIEJASAOERIG-LBPRGKRZSA-N 1 3 245.326 0.516 20 0 BCADHO CC[C@@H]1OCC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000459782331 206015318 /nfs/dbraw/zinc/01/53/18/206015318.db2.gz ULCWLPORQMHPKW-UPJWGTAASA-N 1 3 242.363 0.599 20 0 BCADHO CC[C@@H]1OCC[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000459782331 206015322 /nfs/dbraw/zinc/01/53/22/206015322.db2.gz ULCWLPORQMHPKW-UPJWGTAASA-N 1 3 242.363 0.599 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)c1ccc2c(c1)CNC2 ZINC000336548463 182336012 /nfs/dbraw/zinc/33/60/12/182336012.db2.gz FEQRGTAAIMBHGO-LBPRGKRZSA-N 1 3 231.299 0.382 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000178408640 134310168 /nfs/dbraw/zinc/31/01/68/134310168.db2.gz BFNGDJMMEZNFHK-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000178735957 134311110 /nfs/dbraw/zinc/31/11/10/134311110.db2.gz MUGONMNJIRCCPC-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO COC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000178974128 134314222 /nfs/dbraw/zinc/31/42/22/134314222.db2.gz PRZKMNJRGMJFRS-LBPRGKRZSA-N 1 3 228.336 0.333 20 0 BCADHO OCCOCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300418583 183081960 /nfs/dbraw/zinc/08/19/60/183081960.db2.gz WYEFZKMYSGHMFL-STQMWFEESA-N 1 3 242.363 0.602 20 0 BCADHO OCCOCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418583 183081962 /nfs/dbraw/zinc/08/19/62/183081962.db2.gz WYEFZKMYSGHMFL-STQMWFEESA-N 1 3 242.363 0.602 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000377150266 169002725 /nfs/dbraw/zinc/00/27/25/169002725.db2.gz FGHSMFNHYRMHOO-MWLCHTKSSA-N 1 3 231.315 0.322 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484940 169006902 /nfs/dbraw/zinc/00/69/02/169006902.db2.gz TWGJYSXRARKWDZ-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484940 169006903 /nfs/dbraw/zinc/00/69/03/169006903.db2.gz TWGJYSXRARKWDZ-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356394884 169068854 /nfs/dbraw/zinc/06/88/54/169068854.db2.gz PSYDTDHNQBZKJB-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356394884 169068856 /nfs/dbraw/zinc/06/88/56/169068856.db2.gz PSYDTDHNQBZKJB-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356394884 169068857 /nfs/dbraw/zinc/06/88/57/169068857.db2.gz PSYDTDHNQBZKJB-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000356394884 169068858 /nfs/dbraw/zinc/06/88/58/169068858.db2.gz PSYDTDHNQBZKJB-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CNC)C1 ZINC000236762218 169077962 /nfs/dbraw/zinc/07/79/62/169077962.db2.gz NTZVKQWOZFTDSN-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC)C1 ZINC000236762218 169077963 /nfs/dbraw/zinc/07/79/63/169077963.db2.gz NTZVKQWOZFTDSN-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357421224 169072257 /nfs/dbraw/zinc/07/22/57/169072257.db2.gz SQFICSWDJABNSK-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357421224 169072258 /nfs/dbraw/zinc/07/22/58/169072258.db2.gz SQFICSWDJABNSK-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346135128 169073195 /nfs/dbraw/zinc/07/31/95/169073195.db2.gz CKGDHBURGSDBGV-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000359261532 169074016 /nfs/dbraw/zinc/07/40/16/169074016.db2.gz FFFSSEBNDUQQNT-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000359261532 169074018 /nfs/dbraw/zinc/07/40/18/169074018.db2.gz FFFSSEBNDUQQNT-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000236764549 169078309 /nfs/dbraw/zinc/07/83/09/169078309.db2.gz PANRKCKJPVFITN-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000236764549 169078312 /nfs/dbraw/zinc/07/83/12/169078312.db2.gz PANRKCKJPVFITN-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H]1CCCCN1 ZINC000226406832 169120416 /nfs/dbraw/zinc/12/04/16/169120416.db2.gz GOWXIQYKFHJLCL-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCCN1 ZINC000226406832 169120417 /nfs/dbraw/zinc/12/04/17/169120417.db2.gz GOWXIQYKFHJLCL-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@H](N)C(C)C)CC1 ZINC000040829684 169187790 /nfs/dbraw/zinc/18/77/90/169187790.db2.gz YBXIWKBQDIKTBX-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000336716337 169190427 /nfs/dbraw/zinc/19/04/27/169190427.db2.gz PZULBTMJRAHGJK-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CCC[N@@H+]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000370778412 169191448 /nfs/dbraw/zinc/19/14/48/169191448.db2.gz FGEUSXGXRJXMCZ-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO CCC[N@H+]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000370778412 169191449 /nfs/dbraw/zinc/19/14/49/169191449.db2.gz FGEUSXGXRJXMCZ-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236764814 169196785 /nfs/dbraw/zinc/19/67/85/169196785.db2.gz YSRAZLGDMHHHJJ-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC000236765896 169197991 /nfs/dbraw/zinc/19/79/91/169197991.db2.gz XJGDEQPIWFSIIL-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)NC ZINC000353986954 169199614 /nfs/dbraw/zinc/19/96/14/169199614.db2.gz LSMVZXBLDDNLSV-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)NC ZINC000353986954 169199615 /nfs/dbraw/zinc/19/96/15/169199615.db2.gz LSMVZXBLDDNLSV-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)NC ZINC000353986956 169200322 /nfs/dbraw/zinc/20/03/22/169200322.db2.gz LSMVZXBLDDNLSV-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)NC ZINC000353986956 169200324 /nfs/dbraw/zinc/20/03/24/169200324.db2.gz LSMVZXBLDDNLSV-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(N)=O)C1 ZINC000336751239 169207359 /nfs/dbraw/zinc/20/73/59/169207359.db2.gz CESKDRMLDRUDRE-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(N)=O)C1 ZINC000336751239 169207360 /nfs/dbraw/zinc/20/73/60/169207360.db2.gz CESKDRMLDRUDRE-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000336751239 169207361 /nfs/dbraw/zinc/20/73/61/169207361.db2.gz CESKDRMLDRUDRE-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000112801258 169211476 /nfs/dbraw/zinc/21/14/76/169211476.db2.gz IANYMEOCBPTUNO-MNOVXSKESA-N 1 3 240.351 0.374 20 0 BCADHO CCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC000236917928 169257983 /nfs/dbraw/zinc/25/79/83/169257983.db2.gz JYQQRXUCARNHMW-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCN1CCC ZINC000236787390 169258226 /nfs/dbraw/zinc/25/82/26/169258226.db2.gz ZSDNGXBJSFZXMA-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCC[NH2+]CCNC(=O)C[C@H]1CSCCN1 ZINC000236769371 169258684 /nfs/dbraw/zinc/25/86/84/169258684.db2.gz SMFUVLUSVWKNMN-JTQLQIEISA-N 1 3 245.392 0.197 20 0 BCADHO CCC[NH2+]CCNC(=O)CN(CC)CC ZINC000236918384 169258751 /nfs/dbraw/zinc/25/87/51/169258751.db2.gz ZIRHWNPOTLBBMY-UHFFFAOYSA-N 1 3 215.341 0.444 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377144815 169388218 /nfs/dbraw/zinc/38/82/18/169388218.db2.gz KOXIPGLLMNZRPC-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815829 134315570 /nfs/dbraw/zinc/31/55/70/134315570.db2.gz BUSXAUUSPSUJSC-LPEHRKFASA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815829 134315571 /nfs/dbraw/zinc/31/55/71/134315571.db2.gz BUSXAUUSPSUJSC-LPEHRKFASA-N 1 3 213.325 0.275 20 0 BCADHO CCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000362278419 169391773 /nfs/dbraw/zinc/39/17/73/169391773.db2.gz JVIYSYJIAGKVNY-LLVKDONJSA-N 1 3 248.330 0.793 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368648968 169392141 /nfs/dbraw/zinc/39/21/41/169392141.db2.gz YWWYPDLQLVPNFT-ZJUUUORDSA-N 1 3 225.336 0.372 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193476947 259603601 /nfs/dbraw/zinc/60/36/01/259603601.db2.gz FOLMXAFBLYJHON-OPRDCNLKSA-N 1 3 245.392 0.324 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)C[NH+](CC)CC ZINC000359196496 169423118 /nfs/dbraw/zinc/42/31/18/169423118.db2.gz LSVQYFIPGKVOMB-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CO[C@@H](CN)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000227351769 134378509 /nfs/dbraw/zinc/37/85/09/134378509.db2.gz AMYJLALQRYKJDY-MNOVXSKESA-N 1 3 245.367 0.053 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000648124750 383844644 /nfs/dbraw/zinc/84/46/44/383844644.db2.gz BQPKTWLVLRGTTR-OUAUKWLOSA-N 1 3 241.379 0.946 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368100423 383847988 /nfs/dbraw/zinc/84/79/88/383847988.db2.gz QCPYEPYYOKJHGC-MDZLAQPJSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)CN)C1CCCCC1 ZINC000237136589 383925939 /nfs/dbraw/zinc/92/59/39/383925939.db2.gz FJPJHINRGNOZOD-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)C(C)(C)N)C1CC1 ZINC000237187493 383981128 /nfs/dbraw/zinc/98/11/28/383981128.db2.gz JHSUZKBKDZPBEY-SECBINFHSA-N 1 3 213.325 0.180 20 0 BCADHO CO[C@@H]1CCC[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643542397 383967264 /nfs/dbraw/zinc/96/72/64/383967264.db2.gz KOPUKQDLWBUIQB-XQQFMLRXSA-N 1 3 242.363 0.912 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000449148489 384016192 /nfs/dbraw/zinc/01/61/92/384016192.db2.gz TWVMDNAFDHJIBU-UTUOFQBUSA-N 1 3 241.379 0.973 20 0 BCADHO Cc1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc[nH+]1 ZINC000518564854 384016733 /nfs/dbraw/zinc/01/67/33/384016733.db2.gz YKQMKEPDYPSEEP-NWDGAFQWSA-N 1 3 246.314 0.138 20 0 BCADHO C[NH2+]CCCN1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000517373041 384063574 /nfs/dbraw/zinc/06/35/74/384063574.db2.gz AHWSRIMKWCYFQZ-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000517373041 384063579 /nfs/dbraw/zinc/06/35/79/384063579.db2.gz AHWSRIMKWCYFQZ-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000517373041 384063582 /nfs/dbraw/zinc/06/35/82/384063582.db2.gz AHWSRIMKWCYFQZ-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])CN1C1CC1 ZINC000572600399 384080190 /nfs/dbraw/zinc/08/01/90/384080190.db2.gz SLJCYOSURSOSDR-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](O)[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000564976169 384101016 /nfs/dbraw/zinc/10/10/16/384101016.db2.gz SNIDWNKOEMJOCO-TUAOUCFPSA-N 1 3 230.352 0.192 20 0 BCADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCCN1C)C1CC1 ZINC000310226250 384127193 /nfs/dbraw/zinc/12/71/93/384127193.db2.gz GVPFZPCPERZOSH-CHWSQXEVSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237400611 384171805 /nfs/dbraw/zinc/17/18/05/384171805.db2.gz XZJXJPHWHVAZMN-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237400611 384171809 /nfs/dbraw/zinc/17/18/09/384171809.db2.gz XZJXJPHWHVAZMN-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000309455643 384188293 /nfs/dbraw/zinc/18/82/93/384188293.db2.gz NPGSRABAVLCKOQ-NGZCFLSTSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000163247367 384189513 /nfs/dbraw/zinc/18/95/13/384189513.db2.gz SWMKWZCZBIUQNE-GXFFZTMASA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H]1SCCN(CCOCC[NH3+])[C@@H]1C ZINC000132515181 384194099 /nfs/dbraw/zinc/19/40/99/384194099.db2.gz KYVKQRLFJKFRRX-NXEZZACHSA-N 1 3 218.366 0.788 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000564938036 384200304 /nfs/dbraw/zinc/20/03/04/384200304.db2.gz RPEDVJYVUCKBRH-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000237465827 384223146 /nfs/dbraw/zinc/22/31/46/384223146.db2.gz XXVKCKSNENAWES-SNVBAGLBSA-N 1 3 235.331 0.712 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000648144485 384264959 /nfs/dbraw/zinc/26/49/59/384264959.db2.gz DRKWJRBDTNJWBI-IUCAKERBSA-N 1 3 249.305 0.475 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCNc1ccncc1 ZINC000569571110 384267887 /nfs/dbraw/zinc/26/78/87/384267887.db2.gz AZENGIRVTHMXTA-JTQLQIEISA-N 1 3 236.319 0.159 20 0 BCADHO N[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1CCC1 ZINC000569574689 384270521 /nfs/dbraw/zinc/27/05/21/384270521.db2.gz OJYBESFQKGRJRJ-HTQZYQBOSA-N 1 3 235.278 0.213 20 0 BCADHO C[C@@H](CNC(=O)CN)[N@H+](C)Cc1ccccc1 ZINC000237543119 384276253 /nfs/dbraw/zinc/27/62/53/384276253.db2.gz KFLZNSYHAZXXHT-NSHDSACASA-N 1 3 235.331 0.582 20 0 BCADHO C[C@H](CN[C@@H]1CO[C@@H](C)C1)C[NH+](C)C ZINC000401936150 384313714 /nfs/dbraw/zinc/31/37/14/384313714.db2.gz MSJFKHRPOADUNF-VWYCJHECSA-N 1 3 200.326 0.951 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCN1CCCC1=O ZINC000405429523 384317674 /nfs/dbraw/zinc/31/76/74/384317674.db2.gz IZPBSHAQFOLWQL-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000405429523 384317678 /nfs/dbraw/zinc/31/76/78/384317678.db2.gz IZPBSHAQFOLWQL-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCN ZINC000308785606 384288699 /nfs/dbraw/zinc/28/86/99/384288699.db2.gz FVHVPDSPIUKTQQ-LLVKDONJSA-N 1 3 210.325 0.846 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)NCCC[NH3+] ZINC000308785606 384288702 /nfs/dbraw/zinc/28/87/02/384288702.db2.gz FVHVPDSPIUKTQQ-LLVKDONJSA-N 1 3 210.325 0.846 20 0 BCADHO CC[NH+](CC)CCCNC(=O)C1(N)CC1 ZINC000083347582 384297821 /nfs/dbraw/zinc/29/78/21/384297821.db2.gz LICKUXXLUZEZCX-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)[C@H](C)[NH3+] ZINC000248504682 384346623 /nfs/dbraw/zinc/34/66/23/384346623.db2.gz VRRSODKSVUBIRP-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO CC/C=C\C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000384730103 384362381 /nfs/dbraw/zinc/36/23/81/384362381.db2.gz AZPCGOIUKXEILD-VSQXVHSFSA-N 1 3 212.337 0.999 20 0 BCADHO c1ncn(CCN[C@@H]2CCC[NH2+]CC2)n1 ZINC000331497569 384331256 /nfs/dbraw/zinc/33/12/56/384331256.db2.gz NXTFGNCLOOAAES-SNVBAGLBSA-N 1 3 209.297 0.010 20 0 BCADHO COCCN(C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000178709624 384401287 /nfs/dbraw/zinc/40/12/87/384401287.db2.gz GKACRQKDAAOMCL-UHFFFAOYSA-N 1 3 245.367 0.198 20 0 BCADHO CC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807229 384403467 /nfs/dbraw/zinc/40/34/67/384403467.db2.gz YECDCBKACJOBHJ-QMMMGPOBSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169030847 384389516 /nfs/dbraw/zinc/38/95/16/384389516.db2.gz VTBDKBMVOKAFRD-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCCC1 ZINC000648145749 384449512 /nfs/dbraw/zinc/44/95/12/384449512.db2.gz DAAPCXSFYYTAAR-ZETCQYMHSA-N 1 3 235.278 0.357 20 0 BCADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)F)CCCC1 ZINC000648145748 384449762 /nfs/dbraw/zinc/44/97/62/384449762.db2.gz DAAPCXSFYYTAAR-SSDOTTSWSA-N 1 3 235.278 0.357 20 0 BCADHO Cn1cncc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000082605317 384435937 /nfs/dbraw/zinc/43/59/37/384435937.db2.gz FASSJBUZQMKEAH-LLVKDONJSA-N 1 3 222.336 0.852 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000082645449 384438344 /nfs/dbraw/zinc/43/83/44/384438344.db2.gz XYBLZQQHYSDWIU-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[C@H](C)[C@H](CO)NC[C@H](O)C[N@H+](C)CC ZINC000568182542 384465249 /nfs/dbraw/zinc/46/52/49/384465249.db2.gz SIEWCHINXUGJPF-AVGNSLFASA-N 1 3 246.395 0.686 20 0 BCADHO CCC[C@H](C)[C@H](CO)NC[C@H](O)C[N@@H+](C)CC ZINC000568182542 384465254 /nfs/dbraw/zinc/46/52/54/384465254.db2.gz SIEWCHINXUGJPF-AVGNSLFASA-N 1 3 246.395 0.686 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000249078921 384479147 /nfs/dbraw/zinc/47/91/47/384479147.db2.gz RIGSWVNLZOPRGP-NOOOWODRSA-N 1 3 241.379 0.911 20 0 BCADHO C[C@@H](C(=O)NCCN1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000249133983 384497166 /nfs/dbraw/zinc/49/71/66/384497166.db2.gz YKMNVTKAWBMLKZ-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CCCNCC1 ZINC000037481446 384503924 /nfs/dbraw/zinc/50/39/24/384503924.db2.gz ODDDJQRLEZAEBL-LLVKDONJSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)C[C@H]1[NH3+] ZINC000648176811 384506190 /nfs/dbraw/zinc/50/61/90/384506190.db2.gz ODXPANGRORCVOB-HRDYMLBCSA-N 1 3 247.289 0.037 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000148270257 384534580 /nfs/dbraw/zinc/53/45/80/384534580.db2.gz KADKNMWIRXTPKH-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236842275 384590559 /nfs/dbraw/zinc/59/05/59/384590559.db2.gz GWXAIOVHMAQCHP-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1C[NH+](CCN2CCNCC2)C[C@@H]1C ZINC000086010077 384585390 /nfs/dbraw/zinc/58/53/90/384585390.db2.gz LUIRVHQFRPNEGN-RYUDHWBXSA-N 1 3 211.353 0.479 20 0 BCADHO C[C@H]1C[N@H+](CCN2CCNCC2)C[C@H]1C ZINC000086010075 384587354 /nfs/dbraw/zinc/58/73/54/384587354.db2.gz LUIRVHQFRPNEGN-TXEJJXNPSA-N 1 3 211.353 0.479 20 0 BCADHO C[C@H]1C[N@@H+](CCN2CCNCC2)C[C@H]1C ZINC000086010075 384587363 /nfs/dbraw/zinc/58/73/63/384587363.db2.gz LUIRVHQFRPNEGN-TXEJJXNPSA-N 1 3 211.353 0.479 20 0 BCADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000037889987 384628573 /nfs/dbraw/zinc/62/85/73/384628573.db2.gz VILXUIVPSSVUDU-DCAQKATOSA-N 1 3 216.325 0.066 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCCC[NH3+] ZINC000040832456 384596544 /nfs/dbraw/zinc/59/65/44/384596544.db2.gz DCZKKKXQKACDOX-BDAKNGLRSA-N 1 3 201.314 0.215 20 0 BCADHO CC[C@](C)(CN1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000319905313 384596618 /nfs/dbraw/zinc/59/66/18/384596618.db2.gz QMQYPWQLFJWBCI-IJLUTSLNSA-N 1 3 212.337 0.953 20 0 BCADHO COC[C@H](C)CNC[C@H](O)C[NH+]1CCCC1 ZINC000045695880 384665607 /nfs/dbraw/zinc/66/56/07/384665607.db2.gz WDKAXNKSKSYPSD-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO Cc1[nH]ncc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533493 384644160 /nfs/dbraw/zinc/64/41/60/384644160.db2.gz STXBKCFLDGXODR-CMPLNLGQSA-N 1 3 220.320 0.902 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044538765 384658136 /nfs/dbraw/zinc/65/81/36/384658136.db2.gz UXEMOPCRHTUVJA-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO NC1(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)CCC1 ZINC000648186020 384740057 /nfs/dbraw/zinc/74/00/57/384740057.db2.gz LOAQSPIQYPYROU-JTQLQIEISA-N 1 3 237.347 0.659 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186374 384744945 /nfs/dbraw/zinc/74/49/45/384744945.db2.gz TVVMMMDFBZWQPF-LLVKDONJSA-N 1 3 237.347 0.529 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@]1(C)CC[NH2+]C1 ZINC000647549714 384746223 /nfs/dbraw/zinc/74/62/23/384746223.db2.gz NXPSYFOLQWRGBB-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156235 384748433 /nfs/dbraw/zinc/74/84/33/384748433.db2.gz KRSBHHPZMUYQFU-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO NC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335431734 384753074 /nfs/dbraw/zinc/75/30/74/384753074.db2.gz YKUFOCDPJKTVGU-CHWSQXEVSA-N 1 3 245.326 0.433 20 0 BCADHO CCOC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309984302 384764346 /nfs/dbraw/zinc/76/43/46/384764346.db2.gz XPAWOHQZWSBKQO-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202458 384824500 /nfs/dbraw/zinc/82/45/00/384824500.db2.gz VBTXTXSNNXYTMZ-JTQLQIEISA-N 1 3 247.342 0.902 20 0 BCADHO COC(=O)CCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000126978452 384834993 /nfs/dbraw/zinc/83/49/93/384834993.db2.gz MOERWAKBVNUDOM-UWVGGRQHSA-N 1 3 214.309 0.609 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089363 384791103 /nfs/dbraw/zinc/79/11/03/384791103.db2.gz UOFYPLZWXIIIHA-GXSJLCMTSA-N 1 3 215.341 0.570 20 0 BCADHO CN(C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000127462556 384868347 /nfs/dbraw/zinc/86/83/47/384868347.db2.gz UORBHYOSRKJLGJ-NSHDSACASA-N 1 3 213.325 0.196 20 0 BCADHO C[C@H](C(=O)NC[C@H]1CCCN1C)C1C[NH2+]C1 ZINC000226078112 384938867 /nfs/dbraw/zinc/93/88/67/384938867.db2.gz DHXDSSZUGFKCSQ-GXSJLCMTSA-N 1 3 225.336 0.052 20 0 BCADHO C[N@H+](CCC1CCCC1)C[C@H](O)CN ZINC000258846319 384947507 /nfs/dbraw/zinc/94/75/07/384947507.db2.gz DXTXUAJOVVOULE-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCC1CCCC1)C[C@H](O)CN ZINC000258846319 384947511 /nfs/dbraw/zinc/94/75/11/384947511.db2.gz DXTXUAJOVVOULE-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO CN(CCC1CCCC1)C[C@H](O)C[NH3+] ZINC000258846319 384947513 /nfs/dbraw/zinc/94/75/13/384947513.db2.gz DXTXUAJOVVOULE-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO Cc1ccc(CC[N@@H+](C)C[C@@H](O)CN)cc1 ZINC000258855724 384948743 /nfs/dbraw/zinc/94/87/43/384948743.db2.gz FIFOWSSYNNKAMM-ZDUSSCGKSA-N 1 3 222.332 0.789 20 0 BCADHO Cc1ccc(CC[N@H+](C)C[C@@H](O)CN)cc1 ZINC000258855724 384948751 /nfs/dbraw/zinc/94/87/51/384948751.db2.gz FIFOWSSYNNKAMM-ZDUSSCGKSA-N 1 3 222.332 0.789 20 0 BCADHO C[C@@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000644574351 384977281 /nfs/dbraw/zinc/97/72/81/384977281.db2.gz RYRCEPVKACOUDX-NXEZZACHSA-N 1 3 202.342 0.933 20 0 BCADHO CC[C@]1(C(=O)N2CCNC(C)(C)C2)CCC[NH2+]1 ZINC000335627944 384978806 /nfs/dbraw/zinc/97/88/06/384978806.db2.gz WPKJOVZIJFKMBG-CYBMUJFWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000518373034 385001005 /nfs/dbraw/zinc/00/10/05/385001005.db2.gz MKMNZDBXTCBXAO-JQWIXIFHSA-N 1 3 235.331 0.410 20 0 BCADHO C[NH+](C)CC[C@H](NC(=O)CN)C(C)(C)C ZINC000236986203 385002520 /nfs/dbraw/zinc/00/25/20/385002520.db2.gz UFFULHQXGUOSTM-VIFPVBQESA-N 1 3 215.341 0.428 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000226394887 385008794 /nfs/dbraw/zinc/00/87/94/385008794.db2.gz AUGYUSCLOPLOFF-CMPLNLGQSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561685 384961261 /nfs/dbraw/zinc/96/12/61/384961261.db2.gz DZQDKJRUHMHPKS-VXGBXAGGSA-N 1 3 241.379 0.125 20 0 BCADHO CC[C@H](C(=O)N1CCN[C@H](C)C1)[NH+](C)C ZINC000189021696 385066349 /nfs/dbraw/zinc/06/63/49/385066349.db2.gz AMFJPGXWRVUKLI-NXEZZACHSA-N 1 3 213.325 0.147 20 0 BCADHO C[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000644663773 385075199 /nfs/dbraw/zinc/07/51/99/385075199.db2.gz KUWZTGROCPFXFF-SNVBAGLBSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404807361 385077849 /nfs/dbraw/zinc/07/78/49/385077849.db2.gz ZYUZFNPERBVRJV-UTUOFQBUSA-N 1 3 241.379 0.423 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000310411376 385046476 /nfs/dbraw/zinc/04/64/76/385046476.db2.gz WUWOIVASYZMEOW-DTWKUNHWSA-N 1 3 249.305 0.522 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000646985486 385110725 /nfs/dbraw/zinc/11/07/25/385110725.db2.gz AFTHSMYHUUDHNJ-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000646984868 385111608 /nfs/dbraw/zinc/11/16/08/385111608.db2.gz BGNCZJXLCWQFPI-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985257 385111796 /nfs/dbraw/zinc/11/17/96/385111796.db2.gz VIDZKSLIMPXVOL-WDEREUQCSA-N 1 3 225.336 0.372 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000646983402 385115246 /nfs/dbraw/zinc/11/52/46/385115246.db2.gz PUGJVKLINDWHSO-HTQZYQBOSA-N 1 3 235.278 0.227 20 0 BCADHO CC1([NH3+])CCN(C(=O)C2(N)CCC2)CC1 ZINC000646993523 385123414 /nfs/dbraw/zinc/12/34/14/385123414.db2.gz ZVLUNOOQAQJGMW-UHFFFAOYSA-N 1 3 211.309 0.208 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993646 385123858 /nfs/dbraw/zinc/12/38/58/385123858.db2.gz CKAAOGMAGIAVTR-LBPRGKRZSA-N 1 3 227.352 0.844 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000061610894 385126641 /nfs/dbraw/zinc/12/66/41/385126641.db2.gz GKIRDGFRYGYFKH-ZDUSSCGKSA-N 1 3 249.358 0.797 20 0 BCADHO COCCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000566245210 385134381 /nfs/dbraw/zinc/13/43/81/385134381.db2.gz KRCCDXCOWXCIPI-LBPRGKRZSA-N 1 3 242.363 0.710 20 0 BCADHO COCCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000566245210 385134390 /nfs/dbraw/zinc/13/43/90/385134390.db2.gz KRCCDXCOWXCIPI-LBPRGKRZSA-N 1 3 242.363 0.710 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000157286470 385137982 /nfs/dbraw/zinc/13/79/82/385137982.db2.gz YABOFKWGGPVFSE-VHSXEESVSA-N 1 3 245.392 0.229 20 0 BCADHO CC[C@H]1CN(C(=O)C2(N)CCC2)CC[C@@H]1[NH3+] ZINC000647006128 385139691 /nfs/dbraw/zinc/13/96/91/385139691.db2.gz LJDWMCACCGZWTP-UWVGGRQHSA-N 1 3 225.336 0.454 20 0 BCADHO CC[C@@H]1CN(C(=O)C2(N)CCC2)CC[C@@H]1[NH3+] ZINC000647006130 385139981 /nfs/dbraw/zinc/13/99/81/385139981.db2.gz LJDWMCACCGZWTP-ZJUUUORDSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCCN(C2CC2)CC1 ZINC000367653496 385086481 /nfs/dbraw/zinc/08/64/81/385086481.db2.gz NVENDTGKBSCHKK-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO C[N@H+](C[C@H](O)CN1CCC[C@@H]1CCO)C1CC1 ZINC000310516331 385102012 /nfs/dbraw/zinc/10/20/12/385102012.db2.gz RSXHCUKIDMLBPL-OLZOCXBDSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+](C[C@H](O)CN1CCC[C@@H]1CCO)C1CC1 ZINC000310516331 385102017 /nfs/dbraw/zinc/10/20/17/385102017.db2.gz RSXHCUKIDMLBPL-OLZOCXBDSA-N 1 3 242.363 0.288 20 0 BCADHO NC1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000647055943 385198812 /nfs/dbraw/zinc/19/88/12/385198812.db2.gz LLEBSSMGLZDERV-SECBINFHSA-N 1 3 223.320 0.126 20 0 BCADHO CC[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1[NH3+] ZINC000647012654 385145125 /nfs/dbraw/zinc/14/51/25/385145125.db2.gz YARQDZLOTULLDC-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)CC[NH3+] ZINC000165644828 385169516 /nfs/dbraw/zinc/16/95/16/385169516.db2.gz XGJUAEBZOTWWRD-CYBMUJFWSA-N 1 3 249.358 0.624 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000647064685 385209944 /nfs/dbraw/zinc/20/99/44/385209944.db2.gz PFYXVCANMDKJOM-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CN(C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000019437246 385222333 /nfs/dbraw/zinc/22/23/33/385222333.db2.gz RNVMQKVVNFTFIV-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCCC[C@H]1CN(C)C ZINC000404996613 385231993 /nfs/dbraw/zinc/23/19/93/385231993.db2.gz XCOQBVZLWQTXIJ-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1CN(C)C ZINC000404996609 385232720 /nfs/dbraw/zinc/23/27/20/385232720.db2.gz XCOQBVZLWQTXIJ-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@H]2C1 ZINC000569124542 385240750 /nfs/dbraw/zinc/24/07/50/385240750.db2.gz SJMYKKQYBBYCML-YFKTTZPYSA-N 1 3 237.347 0.276 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000246919032 385257580 /nfs/dbraw/zinc/25/75/80/385257580.db2.gz MOBNGBUJBDDESE-QJPTWQEYSA-N 1 3 237.347 0.420 20 0 BCADHO CCOC[C@@H]1CCN(CCC[NH2+]C)C1 ZINC000308891020 385245699 /nfs/dbraw/zinc/24/56/99/385245699.db2.gz WTIVKCPGYFCCJH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CCOC[C@@H]1CC[N@H+](CCCNC)C1 ZINC000308891020 385245703 /nfs/dbraw/zinc/24/57/03/385245703.db2.gz WTIVKCPGYFCCJH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CCOC[C@@H]1CC[N@@H+](CCCNC)C1 ZINC000308891020 385245710 /nfs/dbraw/zinc/24/57/10/385245710.db2.gz WTIVKCPGYFCCJH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000157680464 385246675 /nfs/dbraw/zinc/24/66/75/385246675.db2.gz VBHISGLZOXTYOC-JTQLQIEISA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647060476 385203706 /nfs/dbraw/zinc/20/37/06/385203706.db2.gz AWYKALAIPSFFIY-OUAUKWLOSA-N 1 3 225.336 0.182 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058143 385204812 /nfs/dbraw/zinc/20/48/12/385204812.db2.gz QDBKLYLJACOMOS-UWVGGRQHSA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178589429 385304163 /nfs/dbraw/zinc/30/41/63/385304163.db2.gz YYXZIYHYZXFPNO-UWVGGRQHSA-N 1 3 213.325 0.167 20 0 BCADHO CC[NH+](CC)CCCN[C@@H](C)CC(N)=O ZINC000120343765 385308664 /nfs/dbraw/zinc/30/86/64/385308664.db2.gz DJEJBBFLUKRNKW-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCN(CC)CCC[NH2+][C@@H](C)CC(N)=O ZINC000120343765 385308668 /nfs/dbraw/zinc/30/86/68/385308668.db2.gz DJEJBBFLUKRNKW-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CN(C)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157931918 385313222 /nfs/dbraw/zinc/31/32/22/385313222.db2.gz FHYHZIZHPBDJHO-YNEHKIRRSA-N 1 3 241.379 0.125 20 0 BCADHO CN(C)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157931918 385313228 /nfs/dbraw/zinc/31/32/28/385313228.db2.gz FHYHZIZHPBDJHO-YNEHKIRRSA-N 1 3 241.379 0.125 20 0 BCADHO C[NH+]1CCC(N[C@@H](CO)CC(F)F)CC1 ZINC000308969842 385321177 /nfs/dbraw/zinc/32/11/77/385321177.db2.gz YMYYNKDYKZZYEH-SECBINFHSA-N 1 3 222.279 0.686 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000227881353 385268533 /nfs/dbraw/zinc/26/85/33/385268533.db2.gz FWOAMLOFZJKVCD-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000237045212 385276943 /nfs/dbraw/zinc/27/69/43/385276943.db2.gz TYNRKISXIHYDQM-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000336407576 385280131 /nfs/dbraw/zinc/28/01/31/385280131.db2.gz MHNILQGHCJXOQJ-NWDGAFQWSA-N 1 3 237.347 0.435 20 0 BCADHO CCC[C@H](C)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000308957624 385323847 /nfs/dbraw/zinc/32/38/47/385323847.db2.gz XXSACYMKEGZAGW-AXFHLTTASA-N 1 3 200.326 0.593 20 0 BCADHO CCC[C@H](C)C[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000308957624 385323849 /nfs/dbraw/zinc/32/38/49/385323849.db2.gz XXSACYMKEGZAGW-AXFHLTTASA-N 1 3 200.326 0.593 20 0 BCADHO C[C@H](N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000164959168 385329506 /nfs/dbraw/zinc/32/95/06/385329506.db2.gz FIFDPUWAZYWIIA-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000164959489 385330875 /nfs/dbraw/zinc/33/08/75/385330875.db2.gz FIFDPUWAZYWIIA-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089245 385332658 /nfs/dbraw/zinc/33/26/58/385332658.db2.gz WPATXAAHLJOCHQ-RKDXNWHRSA-N 1 3 201.314 0.036 20 0 BCADHO N[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131827384 385362444 /nfs/dbraw/zinc/36/24/44/385362444.db2.gz SRYYSXFVJOQQTI-QWHCGFSZSA-N 1 3 247.342 0.802 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178774263 385326858 /nfs/dbraw/zinc/32/68/58/385326858.db2.gz MYZPJUKICBEDCP-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@]2(O)CCOC2)CC1 ZINC000180461669 385391649 /nfs/dbraw/zinc/39/16/49/385391649.db2.gz MHYOILHWAYPZTN-CYBMUJFWSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)C ZINC000155666558 385405385 /nfs/dbraw/zinc/40/53/85/385405385.db2.gz BCFKYPWYVIENES-WCQYABFASA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]C[C@@H](NC(=O)[C@H]1CNCCC1(F)F)C1CC1 ZINC000644068860 385418684 /nfs/dbraw/zinc/41/86/84/385418684.db2.gz UBGNIUAMOLZWGO-RKDXNWHRSA-N 1 3 247.289 0.085 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000518767612 385475114 /nfs/dbraw/zinc/47/51/14/385475114.db2.gz RVOHRRKZIIIBPE-VHSXEESVSA-N 1 3 245.392 0.183 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000518767611 385475868 /nfs/dbraw/zinc/47/58/68/385475868.db2.gz RVOHRRKZIIIBPE-UWVGGRQHSA-N 1 3 245.392 0.183 20 0 BCADHO CCC[C@](C)(N)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364561430 385476012 /nfs/dbraw/zinc/47/60/12/385476012.db2.gz NWFYHTHLJNSLMM-KQXIARHKSA-N 1 3 239.363 0.985 20 0 BCADHO CN(CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364599231 385478920 /nfs/dbraw/zinc/47/89/20/385478920.db2.gz KRRHFKJQYFCHDR-WCQYABFASA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000644115465 385493787 /nfs/dbraw/zinc/49/37/87/385493787.db2.gz WKUGXGZOWYKBQF-BBBLOLIVSA-N 1 3 225.336 0.099 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000644115963 385493964 /nfs/dbraw/zinc/49/39/64/385493964.db2.gz PSGLKPCBSYBKDY-JTQLQIEISA-N 1 3 223.320 0.020 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000644115964 385494147 /nfs/dbraw/zinc/49/41/47/385494147.db2.gz PSGLKPCBSYBKDY-SNVBAGLBSA-N 1 3 223.320 0.020 20 0 BCADHO CC(C)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCN1C ZINC000257790620 385495282 /nfs/dbraw/zinc/49/52/82/385495282.db2.gz PAXYFSVWBPRPKD-CHWSQXEVSA-N 1 3 225.380 0.868 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000644132348 385513130 /nfs/dbraw/zinc/51/31/30/385513130.db2.gz QIHHTTUHFLYHQJ-QWRGUYRKSA-N 1 3 239.363 0.633 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000309329113 385535139 /nfs/dbraw/zinc/53/51/39/385535139.db2.gz IRXNJOMKDNWGFG-LBPRGKRZSA-N 1 3 226.320 0.577 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000309329113 385535141 /nfs/dbraw/zinc/53/51/41/385535141.db2.gz IRXNJOMKDNWGFG-LBPRGKRZSA-N 1 3 226.320 0.577 20 0 BCADHO NC1(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000644139122 385520553 /nfs/dbraw/zinc/52/05/53/385520553.db2.gz HCSFMPDNMPCGEW-UHFFFAOYSA-N 1 3 217.272 0.720 20 0 BCADHO CN1CCC(O)(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000309416678 385574886 /nfs/dbraw/zinc/57/48/86/385574886.db2.gz CTSSHKSZYBQESE-LLVKDONJSA-N 1 3 244.404 0.786 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000309381425 385559251 /nfs/dbraw/zinc/55/92/51/385559251.db2.gz RODXZURHJPLDEI-GARJFASQSA-N 1 3 226.320 0.609 20 0 BCADHO CN[C@@H](C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000054074185 385597252 /nfs/dbraw/zinc/59/72/52/385597252.db2.gz MCSJIPVCDAVDFQ-JTQLQIEISA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NC(=O)C(C)(C)N)[C@@H]1CCC[NH2+]C1 ZINC000309512121 385646805 /nfs/dbraw/zinc/64/68/05/385646805.db2.gz XPYZBZPQRJRABX-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000337448905 385665919 /nfs/dbraw/zinc/66/59/19/385665919.db2.gz HACJXDNJNAPBRK-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCN(c2ccncc2)CC1 ZINC000645220907 385686565 /nfs/dbraw/zinc/68/65/65/385686565.db2.gz ARWDAKSXNPPFSU-NSHDSACASA-N 1 3 248.330 0.325 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645263115 385701347 /nfs/dbraw/zinc/70/13/47/385701347.db2.gz HPPNRUWMQZLXNJ-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648349 385731154 /nfs/dbraw/zinc/73/11/54/385731154.db2.gz NFJTWCYJOQVWQP-WOPDTQHZSA-N 1 3 228.336 0.068 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648349 385731159 /nfs/dbraw/zinc/73/11/59/385731159.db2.gz NFJTWCYJOQVWQP-WOPDTQHZSA-N 1 3 228.336 0.068 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000571648349 385731163 /nfs/dbraw/zinc/73/11/63/385731163.db2.gz NFJTWCYJOQVWQP-WOPDTQHZSA-N 1 3 228.336 0.068 20 0 BCADHO C[C@@H](Cn1cccn1)NCCC[NH+](C)C ZINC000116399460 385734114 /nfs/dbraw/zinc/73/41/14/385734114.db2.gz OZTVNNRSCCENBT-NSHDSACASA-N 1 3 210.325 0.813 20 0 BCADHO CCn1ncnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647797137 385763198 /nfs/dbraw/zinc/76/31/98/385763198.db2.gz ZUFOZCYDZYPPGD-SDDRHHMPSA-N 1 3 249.362 0.776 20 0 BCADHO CCn1ncnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647797136 385764009 /nfs/dbraw/zinc/76/40/09/385764009.db2.gz ZUFOZCYDZYPPGD-QJPTWQEYSA-N 1 3 249.362 0.776 20 0 BCADHO C[C@]1(C[NH3+])CCN(CCCN2CCOCC2)C1 ZINC000337752225 385775536 /nfs/dbraw/zinc/77/55/36/385775536.db2.gz JPJCOGWFTIPEOX-CYBMUJFWSA-N 1 3 241.379 0.379 20 0 BCADHO C[C@]1(CN)CC[N@H+](CCCN2CCOCC2)C1 ZINC000337752225 385775542 /nfs/dbraw/zinc/77/55/42/385775542.db2.gz JPJCOGWFTIPEOX-CYBMUJFWSA-N 1 3 241.379 0.379 20 0 BCADHO C[C@]1(CN)CC[N@@H+](CCCN2CCOCC2)C1 ZINC000337752225 385775548 /nfs/dbraw/zinc/77/55/48/385775548.db2.gz JPJCOGWFTIPEOX-CYBMUJFWSA-N 1 3 241.379 0.379 20 0 BCADHO CC[C@@H](C(=O)NCC[NH3+])N(CC)CC ZINC000336656403 385780998 /nfs/dbraw/zinc/78/09/98/385780998.db2.gz HVLXICRXHQDTMA-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000186812050 385799923 /nfs/dbraw/zinc/79/99/23/385799923.db2.gz NPRVIAIRUDJRLB-LPEHRKFASA-N 1 3 227.352 0.474 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)C[NH2+]C ZINC000336737515 385799937 /nfs/dbraw/zinc/79/99/37/385799937.db2.gz JLTXTQWQYLWFKX-MWLCHTKSSA-N 1 3 215.341 0.476 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186898996 385811980 /nfs/dbraw/zinc/81/19/80/385811980.db2.gz JILBOESVBQFCOV-GUBZILKMSA-N 1 3 213.325 0.084 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261887835 385832122 /nfs/dbraw/zinc/83/21/22/385832122.db2.gz ZFWREUCJQBAGOH-RWMBFGLXSA-N 1 3 247.342 0.677 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365928882 385854774 /nfs/dbraw/zinc/85/47/74/385854774.db2.gz QBZRCKDUHOXURO-TXEJJXNPSA-N 1 3 239.363 0.348 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365928882 385854776 /nfs/dbraw/zinc/85/47/76/385854776.db2.gz QBZRCKDUHOXURO-TXEJJXNPSA-N 1 3 239.363 0.348 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000647841274 385889718 /nfs/dbraw/zinc/88/97/18/385889718.db2.gz FSZVOFMRHSLBJG-ZETCQYMHSA-N 1 3 235.278 0.179 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000335036412 385926562 /nfs/dbraw/zinc/92/65/62/385926562.db2.gz CPHYBQGFJMNEPA-NSHDSACASA-N 1 3 237.347 0.435 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)[C@H]1CNCCC1(F)F ZINC000647811046 385862803 /nfs/dbraw/zinc/86/28/03/385862803.db2.gz QEHOGYRGWAAWNE-HTQZYQBOSA-N 1 3 235.278 0.037 20 0 BCADHO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000647732617 385864408 /nfs/dbraw/zinc/86/44/08/385864408.db2.gz PRRQZTKYLNDHPO-DTWKUNHWSA-N 1 3 247.289 0.038 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000647824967 385867420 /nfs/dbraw/zinc/86/74/20/385867420.db2.gz JRAYWNGCOATBGT-RKDXNWHRSA-N 1 3 249.305 0.331 20 0 BCADHO Cn1ccc(C[N@H+](C)C2CCNCC2)cc1=O ZINC000647816534 385868974 /nfs/dbraw/zinc/86/89/74/385868974.db2.gz RHEGXTKDNUJLNZ-UHFFFAOYSA-N 1 3 235.331 0.569 20 0 BCADHO Cn1ccc(C[N@@H+](C)C2CCNCC2)cc1=O ZINC000647816534 385868979 /nfs/dbraw/zinc/86/89/79/385868979.db2.gz RHEGXTKDNUJLNZ-UHFFFAOYSA-N 1 3 235.331 0.569 20 0 BCADHO CC[NH+](CC)CCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647940599 385877650 /nfs/dbraw/zinc/87/76/50/385877650.db2.gz JPZHLMZBGNFNFI-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000295173100 385983861 /nfs/dbraw/zinc/98/38/61/385983861.db2.gz LRKWRXDKUKAJSK-STQMWFEESA-N 1 3 249.358 0.828 20 0 BCADHO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)[C@H](C)N ZINC000365220601 385960884 /nfs/dbraw/zinc/96/08/84/385960884.db2.gz HYUXTKXRFCLTLV-GZMMTYOYSA-N 1 3 249.314 0.779 20 0 BCADHO CC(C)([NH3+])CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331793708 385969271 /nfs/dbraw/zinc/96/92/71/385969271.db2.gz SVPCYYXETLIQCY-VIFPVBQESA-N 1 3 240.351 0.260 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000638574914 386000344 /nfs/dbraw/zinc/00/03/44/386000344.db2.gz YUEASSWUCQWJKK-YFKTTZPYSA-N 1 3 239.363 0.631 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000309263623 386001368 /nfs/dbraw/zinc/00/13/68/386001368.db2.gz QTVXHKCTBXYRHE-LLVKDONJSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165322670 386010165 /nfs/dbraw/zinc/01/01/65/386010165.db2.gz DEOYVNODXRSOBH-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO CNCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165322670 386010171 /nfs/dbraw/zinc/01/01/71/386010171.db2.gz DEOYVNODXRSOBH-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO C[C@@]1(CNC(=O)[C@@H](N)C2CCC2)CCC[NH2+]C1 ZINC000331827180 386056225 /nfs/dbraw/zinc/05/62/25/386056225.db2.gz CURSKYZOOZMXSS-WCQYABFASA-N 1 3 239.363 0.620 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000295334316 386013292 /nfs/dbraw/zinc/01/32/92/386013292.db2.gz ZTSCDYQIQZWYBZ-STQMWFEESA-N 1 3 249.358 0.656 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000335061293 386027372 /nfs/dbraw/zinc/02/73/72/386027372.db2.gz MEOXOGVLPCEQBT-VXGBXAGGSA-N 1 3 245.326 0.513 20 0 BCADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)CN ZINC000037801503 386102966 /nfs/dbraw/zinc/10/29/66/386102966.db2.gz ZZUYTIZHXBXYMC-UHFFFAOYSA-N 1 3 235.331 0.536 20 0 BCADHO CC[C@@H](Cn1cncn1)[NH2+]CC1=CCN(C)CC1 ZINC000340522471 386116813 /nfs/dbraw/zinc/11/68/13/386116813.db2.gz AYMGZCNMQAXUFG-ZDUSSCGKSA-N 1 3 249.362 0.908 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310085515 386081944 /nfs/dbraw/zinc/08/19/44/386081944.db2.gz GNZZJFDYAHMICL-PWSUYJOCSA-N 1 3 239.363 0.395 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310085516 386081992 /nfs/dbraw/zinc/08/19/92/386081992.db2.gz GNZZJFDYAHMICL-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310085511 386084241 /nfs/dbraw/zinc/08/42/41/386084241.db2.gz GNZZJFDYAHMICL-CMPLNLGQSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@@H]([NH2+]CCNCCOC)[C@H](C)C1 ZINC000414887609 386092618 /nfs/dbraw/zinc/09/26/18/386092618.db2.gz QSFBLTPZUJRKRE-CHWSQXEVSA-N 1 3 243.395 0.542 20 0 BCADHO CC(C)([NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000334473687 386145637 /nfs/dbraw/zinc/14/56/37/386145637.db2.gz JTRQWMZGGASQMO-GFCCVEGCSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C1CCN(C)CC1 ZINC000346114512 386152539 /nfs/dbraw/zinc/15/25/39/386152539.db2.gz BPUVRLWKIUKRQE-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CCN(CCNC(=O)NCCC[NH3+])C1CC1 ZINC000417489895 386154016 /nfs/dbraw/zinc/15/40/16/386154016.db2.gz QQZPMPYGJOTVJT-UHFFFAOYSA-N 1 3 228.340 0.119 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055088188 386155288 /nfs/dbraw/zinc/15/52/88/386155288.db2.gz ZQZRPYIDITVDRC-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCN(CCNC(=O)NCC[C@H](C)[NH3+])C1CC1 ZINC000417492699 386158186 /nfs/dbraw/zinc/15/81/86/386158186.db2.gz VKWDUBMEDBQANP-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CCNC(=O)CN(CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677523 386158244 /nfs/dbraw/zinc/15/82/44/386158244.db2.gz JEUKSLBCPIYKCF-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](N)c1cn(C[C@H](O)C[N@H+](C)CC)nn1 ZINC000310315109 386173528 /nfs/dbraw/zinc/17/35/28/386173528.db2.gz XIFFNPRRHJPJGR-NXEZZACHSA-N 1 3 241.339 0.001 20 0 BCADHO CC[C@@H](N)c1cn(C[C@H](O)C[N@@H+](C)CC)nn1 ZINC000310315109 386173532 /nfs/dbraw/zinc/17/35/32/386173532.db2.gz XIFFNPRRHJPJGR-NXEZZACHSA-N 1 3 241.339 0.001 20 0 BCADHO CN(C)C/C=C/C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000365505171 386136614 /nfs/dbraw/zinc/13/66/14/386136614.db2.gz DVSSOGDUFWOLMK-AHWSKYQCSA-N 1 3 237.347 0.124 20 0 BCADHO CN(C)C/C=C/C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365505171 386136616 /nfs/dbraw/zinc/13/66/16/386136616.db2.gz DVSSOGDUFWOLMK-AHWSKYQCSA-N 1 3 237.347 0.124 20 0 BCADHO [NH3+]CCCN1CCCC[C@H]1CN1CCOCC1 ZINC000414702489 386208285 /nfs/dbraw/zinc/20/82/85/386208285.db2.gz XLEAKMISVXGPNY-ZDUSSCGKSA-N 1 3 241.379 0.522 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@@H](CO)OC[C@@H]2C)CC[NH2+]1 ZINC000414702529 386209727 /nfs/dbraw/zinc/20/97/27/386209727.db2.gz HWOIFBPMCMMHRT-XQHKEYJVSA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@](C)(CCO)[NH2+]C[C@H](N)CC(C)C ZINC000414707000 386216129 /nfs/dbraw/zinc/21/61/29/386216129.db2.gz LYUVOJLXFQOUKI-NEPJUHHUSA-N 1 3 232.368 0.737 20 0 BCADHO COC[C@](C)(CCO)[NH2+]C[C@@H](N)CC(C)C ZINC000414707005 386217636 /nfs/dbraw/zinc/21/76/36/386217636.db2.gz LYUVOJLXFQOUKI-RYUDHWBXSA-N 1 3 232.368 0.737 20 0 BCADHO C[NH+](C)C1(CNC(=O)C2(N)CCC2)CCCC1 ZINC000132438505 386233905 /nfs/dbraw/zinc/23/39/05/386233905.db2.gz QBPMFICDQMNHNW-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CCC[C@H]1CN(CCC[NH3+])CCN1CCOC ZINC000414717021 386241290 /nfs/dbraw/zinc/24/12/90/386241290.db2.gz YXPMNFOLVPGUCL-ZDUSSCGKSA-N 1 3 243.395 0.768 20 0 BCADHO CCN[C@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350039 386241257 /nfs/dbraw/zinc/24/12/57/386241257.db2.gz AMFXONQRZFXCJL-ZYHUDNBSSA-N 1 3 247.342 0.901 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC(C)(C)CC[NH3+] ZINC000638355171 386246461 /nfs/dbraw/zinc/24/64/61/386246461.db2.gz GURHCUPJMAEIDY-SNVBAGLBSA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H]1C[C@H](O)CN1CC[C@H]1CCC[N@@H+]1C ZINC000336647263 386257562 /nfs/dbraw/zinc/25/75/62/386257562.db2.gz LWBQZYOOKAZLRG-UTUOFQBUSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1C[C@H](O)CN1CC[C@H]1CCC[N@H+]1C ZINC000336647263 386257565 /nfs/dbraw/zinc/25/75/65/386257565.db2.gz LWBQZYOOKAZLRG-UTUOFQBUSA-N 1 3 212.337 0.926 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000132913800 386259059 /nfs/dbraw/zinc/25/90/59/386259059.db2.gz LNFAMSRJEFTHPY-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO [NH3+]CCCN1CCC[C@H](CN2CCOCC2)C1 ZINC000414698092 386198793 /nfs/dbraw/zinc/19/87/93/386198793.db2.gz RUKOZHQHLCNGFG-ZDUSSCGKSA-N 1 3 241.379 0.379 20 0 BCADHO C[C@@H](CNC(=O)NCCC[NH3+])N(C)C1CC1 ZINC000417538072 386299035 /nfs/dbraw/zinc/29/90/35/386299035.db2.gz DAQZUNMVSWSOLW-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000336670416 386314677 /nfs/dbraw/zinc/31/46/77/386314677.db2.gz GQCHMTOWOYCCJO-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CC(C)[C@H](C(=O)NCC1([NH+](C)C)CC1)N(C)C ZINC000416299041 386264052 /nfs/dbraw/zinc/26/40/52/386264052.db2.gz FFFRQLGJHBKXHU-LLVKDONJSA-N 1 3 241.379 0.783 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000339134258 386264851 /nfs/dbraw/zinc/26/48/51/386264851.db2.gz UCGCEPAXYKLIEY-VHSXEESVSA-N 1 3 215.341 0.297 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C)N(CC)CC ZINC000339136285 386268010 /nfs/dbraw/zinc/26/80/10/386268010.db2.gz JTPRRWIBDOQTTK-MNOVXSKESA-N 1 3 229.368 0.831 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308439 386269547 /nfs/dbraw/zinc/26/95/47/386269547.db2.gz QPQMTSFRJVEXPT-GHMZBOCLSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308439 386269551 /nfs/dbraw/zinc/26/95/51/386269551.db2.gz QPQMTSFRJVEXPT-GHMZBOCLSA-N 1 3 239.363 0.395 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000265606319 386351937 /nfs/dbraw/zinc/35/19/37/386351937.db2.gz BFBHAHUJERGRDS-OKPNEXGHSA-N 1 3 225.336 0.315 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237429630 386379267 /nfs/dbraw/zinc/37/92/67/386379267.db2.gz ZZGFADAISFQVRE-CMPLNLGQSA-N 1 3 235.331 0.882 20 0 BCADHO COC(=O)[C@]1(C)CN(CCC[NH3+])C[C@H]1C ZINC000414741934 386327732 /nfs/dbraw/zinc/32/77/32/386327732.db2.gz LICGKBZKZYGXLK-MWLCHTKSSA-N 1 3 214.309 0.466 20 0 BCADHO COC(=O)[C@]1(C)C[N@H+](CCCN)C[C@H]1C ZINC000414741934 386327737 /nfs/dbraw/zinc/32/77/37/386327737.db2.gz LICGKBZKZYGXLK-MWLCHTKSSA-N 1 3 214.309 0.466 20 0 BCADHO COC(=O)[C@]1(C)C[N@@H+](CCCN)C[C@H]1C ZINC000414741934 386327742 /nfs/dbraw/zinc/32/77/42/386327742.db2.gz LICGKBZKZYGXLK-MWLCHTKSSA-N 1 3 214.309 0.466 20 0 BCADHO C[NH2+]CCNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000417036998 386438056 /nfs/dbraw/zinc/43/80/56/386438056.db2.gz TUFUGLWICXYJMJ-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccccn1 ZINC000647992060 386438365 /nfs/dbraw/zinc/43/83/65/386438365.db2.gz AEEFESKLCDLIKJ-LBPRGKRZSA-N 1 3 234.347 0.637 20 0 BCADHO CC(C)C[C@H](N)C[N@H+](CCO)C1CCOCC1 ZINC000414755070 386394057 /nfs/dbraw/zinc/39/40/57/386394057.db2.gz OPTAICIQELKKTR-LBPRGKRZSA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+](CCO)C1CCOCC1 ZINC000414755070 386394062 /nfs/dbraw/zinc/39/40/62/386394062.db2.gz OPTAICIQELKKTR-LBPRGKRZSA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000414755371 386395139 /nfs/dbraw/zinc/39/51/39/386395139.db2.gz HKMTWVRHUNSPQD-VWYCJHECSA-N 1 3 200.326 0.815 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000414755371 386395146 /nfs/dbraw/zinc/39/51/46/386395146.db2.gz HKMTWVRHUNSPQD-VWYCJHECSA-N 1 3 200.326 0.815 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000347417943 386397254 /nfs/dbraw/zinc/39/72/54/386397254.db2.gz QHNTVHVSNSQIIM-JHJVBQTASA-N 1 3 244.379 0.704 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000347417943 386397258 /nfs/dbraw/zinc/39/72/58/386397258.db2.gz QHNTVHVSNSQIIM-JHJVBQTASA-N 1 3 244.379 0.704 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000347417948 386397277 /nfs/dbraw/zinc/39/72/77/386397277.db2.gz QHNTVHVSNSQIIM-XQQFMLRXSA-N 1 3 244.379 0.704 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000347417948 386397281 /nfs/dbraw/zinc/39/72/81/386397281.db2.gz QHNTVHVSNSQIIM-XQQFMLRXSA-N 1 3 244.379 0.704 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1ccc(C[NH3+])cc1 ZINC000237644497 386397751 /nfs/dbraw/zinc/39/77/51/386397751.db2.gz DHBJFVHWNDGJEA-WDEREUQCSA-N 1 3 247.342 0.968 20 0 BCADHO CCOCCN1CCN(C[C@H](C)[NH3+])C[C@H]1CC ZINC000442664856 386416306 /nfs/dbraw/zinc/41/63/06/386416306.db2.gz XMSGEIHRKMWOCC-QWHCGFSZSA-N 1 3 243.395 0.766 20 0 BCADHO C[C@H](O)CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000336708716 386417507 /nfs/dbraw/zinc/41/75/07/386417507.db2.gz IWJAQRAYCBGSRY-LBPRGKRZSA-N 1 3 244.379 0.536 20 0 BCADHO CN(CCNC(=O)N(C)C1CC([NH3+])C1)C1CC1 ZINC000417623368 386469952 /nfs/dbraw/zinc/46/99/52/386469952.db2.gz ISLLTCNLLXGXQO-UHFFFAOYSA-N 1 3 240.351 0.212 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000061644909 386476263 /nfs/dbraw/zinc/47/62/63/386476263.db2.gz INIYIAODUASGGM-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000417290766 386478958 /nfs/dbraw/zinc/47/89/58/386478958.db2.gz YSASGJZKTZSDIQ-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCc2ccccc2[C@H]1CN ZINC000335426862 386479756 /nfs/dbraw/zinc/47/97/56/386479756.db2.gz CTWSABBVTMNCDH-GXFFZTMASA-N 1 3 247.342 0.808 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCc2ccccc2[C@H]1CN ZINC000335431458 386487793 /nfs/dbraw/zinc/48/77/93/386487793.db2.gz WNGOQHRPAWNUGK-GXFFZTMASA-N 1 3 247.342 0.666 20 0 BCADHO C[C@@H](NC(=O)N1CCNC(C)(C)C1)[C@H](C)[NH3+] ZINC000335433708 386491722 /nfs/dbraw/zinc/49/17/22/386491722.db2.gz AHXSVWGNBAIKBG-DTWKUNHWSA-N 1 3 228.340 0.116 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519598980 386496653 /nfs/dbraw/zinc/49/66/53/386496653.db2.gz KGIDQINRIRXLRZ-CMPLNLGQSA-N 1 3 227.352 0.620 20 0 BCADHO CN(C(=O)[C@@H]1CC[NH2+]C1)C1CCN(C)CC1 ZINC000062112335 386503202 /nfs/dbraw/zinc/50/32/02/386503202.db2.gz OPYRRNVHWUSOEF-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113121 386503619 /nfs/dbraw/zinc/50/36/19/386503619.db2.gz MWPBPHAZQDQRBD-NEPJUHHUSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCN[C@H](C)C1 ZINC000188439802 386516838 /nfs/dbraw/zinc/51/68/38/386516838.db2.gz CQHPHGJFAOPGQF-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCN[C@H](C)C1 ZINC000188439802 386516843 /nfs/dbraw/zinc/51/68/43/386516843.db2.gz CQHPHGJFAOPGQF-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)([NH3+])CN[C@@H]1CNCCC1(F)F ZINC000335448817 386516998 /nfs/dbraw/zinc/51/69/98/386516998.db2.gz UURAYWBURKFRIM-SSDOTTSWSA-N 1 3 207.268 0.311 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCO[C@@H]21 ZINC000415037285 386524576 /nfs/dbraw/zinc/52/45/76/386524576.db2.gz MVAGDSPGYVONFW-IXJGYNTHSA-N 1 3 222.332 0.607 20 0 BCADHO C1CC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@H]12 ZINC000415040735 386525906 /nfs/dbraw/zinc/52/59/06/386525906.db2.gz QPIDGNBEBHVDEQ-PQCBQTOFSA-N 1 3 234.343 0.751 20 0 BCADHO CN(CCNC(=O)C1([NH3+])CCCC1)C1CC1 ZINC000059931540 386463508 /nfs/dbraw/zinc/46/35/08/386463508.db2.gz UEDQTCJGYSPNTJ-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)NCCN(C)C2CC2)C1 ZINC000417625482 386463518 /nfs/dbraw/zinc/46/35/18/386463518.db2.gz MKONLCXFLUWLNA-SNVBAGLBSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)NCCN(C)C1CC1 ZINC000417625429 386463873 /nfs/dbraw/zinc/46/38/73/386463873.db2.gz MCSCAFBWUVXSPC-SECBINFHSA-N 1 3 228.340 0.069 20 0 BCADHO COC(=O)C(C)(C)CCN[C@@H](C[NH3+])C1CC1 ZINC000414797123 386577373 /nfs/dbraw/zinc/57/73/73/386577373.db2.gz AYRIMYQSDMUOHZ-JTQLQIEISA-N 1 3 228.336 0.903 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335414307 386580136 /nfs/dbraw/zinc/58/01/36/386580136.db2.gz AZRNARXWYRFJFW-LBPRGKRZSA-N 1 3 239.363 0.858 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000335415818 386582190 /nfs/dbraw/zinc/58/21/90/386582190.db2.gz WORLLAFUGCUDFV-JTQLQIEISA-N 1 3 225.336 0.100 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000647779785 386582343 /nfs/dbraw/zinc/58/23/43/386582343.db2.gz QZAFMLNPGAEUSZ-SDDRHHMPSA-N 1 3 239.363 0.442 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000335415820 386582694 /nfs/dbraw/zinc/58/26/94/386582694.db2.gz WORLLAFUGCUDFV-SNVBAGLBSA-N 1 3 225.336 0.100 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062971981 386534590 /nfs/dbraw/zinc/53/45/90/386534590.db2.gz YABOFKWGGPVFSE-ZJUUUORDSA-N 1 3 245.392 0.229 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000519702144 386536887 /nfs/dbraw/zinc/53/68/87/386536887.db2.gz GFZSPGOHWCFUOJ-XHNCKOQMSA-N 1 3 247.289 0.179 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417681830 386538972 /nfs/dbraw/zinc/53/89/72/386538972.db2.gz KDYCPSHGSCQPFA-UWVGGRQHSA-N 1 3 240.351 0.117 20 0 BCADHO CCO[C@@H]1C[C@@H]1N[C@H](CCC[NH3+])COC ZINC000519762373 386551562 /nfs/dbraw/zinc/55/15/62/386551562.db2.gz INPIPZDBJKXAHT-OUAUKWLOSA-N 1 3 216.325 0.507 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417691476 386558690 /nfs/dbraw/zinc/55/86/90/386558690.db2.gz WVBQCAXRSZQVQL-UWVGGRQHSA-N 1 3 240.351 0.260 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417690167 386559511 /nfs/dbraw/zinc/55/95/11/386559511.db2.gz UMKVYFSOOMPBBS-ZJUUUORDSA-N 1 3 240.351 0.260 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335405862 386562898 /nfs/dbraw/zinc/56/28/98/386562898.db2.gz IPRZJJHCUVAUCW-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNC2 ZINC000335497158 386620698 /nfs/dbraw/zinc/62/06/98/386620698.db2.gz WXCWVEIHSWCWLK-MRVPVSSYSA-N 1 3 219.288 0.823 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647906588 386635719 /nfs/dbraw/zinc/63/57/19/386635719.db2.gz HDELQMUNJXJOMH-PWSUYJOCSA-N 1 3 235.331 0.554 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647906587 386637517 /nfs/dbraw/zinc/63/75/17/386637517.db2.gz HDELQMUNJXJOMH-JQWIXIFHSA-N 1 3 235.331 0.554 20 0 BCADHO C[C@@H]1CN(C(=O)C23CCCN2CCC3)C[C@H]1[NH3+] ZINC000335511858 386647636 /nfs/dbraw/zinc/64/76/36/386647636.db2.gz AWIOJXHPSYTNSK-GHMZBOCLSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942844 386648476 /nfs/dbraw/zinc/64/84/76/386648476.db2.gz SKWZOSIVWFMXHE-ZJUUUORDSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942844 386648480 /nfs/dbraw/zinc/64/84/80/386648480.db2.gz SKWZOSIVWFMXHE-ZJUUUORDSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000335423633 386599560 /nfs/dbraw/zinc/59/95/60/386599560.db2.gz NVDBEVHQTSCKKZ-SKDRFNHKSA-N 1 3 239.363 0.700 20 0 BCADHO NC[C@H]1c2ccccc2CCN1C(=O)NCC[NH3+] ZINC000335488562 386604760 /nfs/dbraw/zinc/60/47/60/386604760.db2.gz VJZGWHPPWDHECO-LBPRGKRZSA-N 1 3 248.330 0.213 20 0 BCADHO C1C[C@@H]([NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)CN1 ZINC000415087153 386606752 /nfs/dbraw/zinc/60/67/52/386606752.db2.gz KPBKBHPOEBEMQJ-WISYIIOYSA-N 1 3 210.321 0.896 20 0 BCADHO CC(C)(C)[C@@H](O)CNC[C@]1(C)CC[NH2+]C1 ZINC000415090462 386610552 /nfs/dbraw/zinc/61/05/52/386610552.db2.gz OXOKRGSOSFFATE-CMPLNLGQSA-N 1 3 214.353 0.983 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000062972549 386666420 /nfs/dbraw/zinc/66/64/20/386666420.db2.gz RNWQBLBLRWLBGO-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972292 386667799 /nfs/dbraw/zinc/66/77/99/386667799.db2.gz VJWQHOQVGHCDCY-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCNC(C)(C)C1)N(C)C ZINC000335526205 386671313 /nfs/dbraw/zinc/67/13/13/386671313.db2.gz ZGLFEJPTTGYVAR-NSHDSACASA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCNC(C)(C)C1)[NH+](C)C ZINC000335526205 386671318 /nfs/dbraw/zinc/67/13/18/386671318.db2.gz ZGLFEJPTTGYVAR-NSHDSACASA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)CN(C)C ZINC000425934031 386671265 /nfs/dbraw/zinc/67/12/65/386671265.db2.gz YSLHEFXSOKKABM-GHMZBOCLSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](CN[C@@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934031 386671269 /nfs/dbraw/zinc/67/12/69/386671269.db2.gz YSLHEFXSOKKABM-GHMZBOCLSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)CN(C)C ZINC000425934032 386672069 /nfs/dbraw/zinc/67/20/69/386672069.db2.gz YSLHEFXSOKKABM-MNOVXSKESA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](CN[C@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934032 386672077 /nfs/dbraw/zinc/67/20/77/386672077.db2.gz YSLHEFXSOKKABM-MNOVXSKESA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)CCCNC[C@H]1C[NH2+]C[C@H]1O ZINC000336649005 386702183 /nfs/dbraw/zinc/70/21/83/386702183.db2.gz CVMWYGXUTQPIQJ-WDEREUQCSA-N 1 3 200.326 0.593 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H](C)C1 ZINC000520603943 386704418 /nfs/dbraw/zinc/70/44/18/386704418.db2.gz GNZWLADTFFQOPX-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)C1 ZINC000520603943 386704421 /nfs/dbraw/zinc/70/44/21/386704421.db2.gz GNZWLADTFFQOPX-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000417781981 386716588 /nfs/dbraw/zinc/71/65/88/386716588.db2.gz LCARAVPIYXMXRT-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000417781979 386716795 /nfs/dbraw/zinc/71/67/95/386716795.db2.gz LCARAVPIYXMXRT-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000417781980 386717370 /nfs/dbraw/zinc/71/73/70/386717370.db2.gz LCARAVPIYXMXRT-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645105483 386722805 /nfs/dbraw/zinc/72/28/05/386722805.db2.gz RLXZMFGTWBLDPX-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H]1NCCCC1(C)C ZINC000417792731 386729091 /nfs/dbraw/zinc/72/90/91/386729091.db2.gz YPHCOBPLMMCFIK-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000357236378 386745236 /nfs/dbraw/zinc/74/52/36/386745236.db2.gz CVMZDWAVLXKZCK-FXPVBKGRSA-N 1 3 225.336 0.180 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357318497 386759408 /nfs/dbraw/zinc/75/94/08/386759408.db2.gz USAAMWCCAKNRRI-GMXVVIOVSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417800895 386763084 /nfs/dbraw/zinc/76/30/84/386763084.db2.gz TXMHPXRZOCGYFH-OUAUKWLOSA-N 1 3 227.352 0.346 20 0 BCADHO CCC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357354513 386766505 /nfs/dbraw/zinc/76/65/05/386766505.db2.gz OCAYILQQKWKLAS-MNOVXSKESA-N 1 3 227.352 0.844 20 0 BCADHO C[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357356327 386766859 /nfs/dbraw/zinc/76/68/59/386766859.db2.gz QUHYZAZYUQELPR-SNVBAGLBSA-N 1 3 227.352 0.701 20 0 BCADHO C[N@@H+]1CC[C@@](O)(CN[C@H]2COC(C)(C)C2)C1 ZINC000417988434 386790955 /nfs/dbraw/zinc/79/09/55/386790955.db2.gz KAKLDTLEXIYHHT-ZYHUDNBSSA-N 1 3 228.336 0.210 20 0 BCADHO C[N@H+]1CC[C@@](O)(CN[C@H]2COC(C)(C)C2)C1 ZINC000417988434 386790959 /nfs/dbraw/zinc/79/09/59/386790959.db2.gz KAKLDTLEXIYHHT-ZYHUDNBSSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417810495 386791027 /nfs/dbraw/zinc/79/10/27/386791027.db2.gz INLIHNXYXHVFOI-UWVGGRQHSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000417810494 386791368 /nfs/dbraw/zinc/79/13/68/386791368.db2.gz INLIHNXYXHVFOI-NXEZZACHSA-N 1 3 227.352 0.476 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000417835312 386793511 /nfs/dbraw/zinc/79/35/11/386793511.db2.gz NRYOAOAZDQUBCA-KXUCPTDWSA-N 1 3 213.325 0.310 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000417835314 386793539 /nfs/dbraw/zinc/79/35/39/386793539.db2.gz NRYOAOAZDQUBCA-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000417835313 386793728 /nfs/dbraw/zinc/79/37/28/386793728.db2.gz NRYOAOAZDQUBCA-LPEHRKFASA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417812605 386780788 /nfs/dbraw/zinc/78/07/88/386780788.db2.gz PVRZPUMMMGLRCP-FBIMIBRVSA-N 1 3 225.336 0.228 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417812580 386781094 /nfs/dbraw/zinc/78/10/94/386781094.db2.gz OSCHDGWOUNTBOM-UWVGGRQHSA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417808968 386787458 /nfs/dbraw/zinc/78/74/58/386787458.db2.gz GGKONGWKOAZLDG-VWYCJHECSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000417809264 386787676 /nfs/dbraw/zinc/78/76/76/386787676.db2.gz GTARWYZUOKQDHY-WDEREUQCSA-N 1 3 241.379 0.864 20 0 BCADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)CN ZINC000417841849 386798546 /nfs/dbraw/zinc/79/85/46/386798546.db2.gz UIXDTHSCUOYRJX-LLVKDONJSA-N 1 3 221.304 0.324 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000417851716 386802395 /nfs/dbraw/zinc/80/23/95/386802395.db2.gz NPSLLXUORDBMPL-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417850444 386808155 /nfs/dbraw/zinc/80/81/55/386808155.db2.gz XPHQHITVLCMUMU-SRVKXCTJSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CCCN1C ZINC000417993831 386808822 /nfs/dbraw/zinc/80/88/22/386808822.db2.gz BBMYQEVVBLNDOX-OUAUKWLOSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000417994906 386811962 /nfs/dbraw/zinc/81/19/62/386811962.db2.gz CQPGRWNOMIFMQQ-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336744576 386868180 /nfs/dbraw/zinc/86/81/80/386868180.db2.gz QGCNOMIIBLSEFB-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000336744576 386868183 /nfs/dbraw/zinc/86/81/83/386868183.db2.gz QGCNOMIIBLSEFB-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO N[C@@H](C(=O)NCC1([NH3+])CCCCC1)C1CCC1 ZINC000331874303 386919536 /nfs/dbraw/zinc/91/95/36/386919536.db2.gz MKYIDRGNDAIWRM-LLVKDONJSA-N 1 3 239.363 0.892 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368088904 386938808 /nfs/dbraw/zinc/93/88/08/386938808.db2.gz GQHVVPSWWVCJHG-WOPDTQHZSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368101119 386942391 /nfs/dbraw/zinc/94/23/91/386942391.db2.gz SMRUQXJRQYHNGH-SRVKXCTJSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000332018985 386943035 /nfs/dbraw/zinc/94/30/35/386943035.db2.gz QPAQVEBEKYXMSS-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000334890067 386962581 /nfs/dbraw/zinc/96/25/81/386962581.db2.gz MVSUEZJYNOCLQO-JQWIXIFHSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000332180690 386966901 /nfs/dbraw/zinc/96/69/01/386966901.db2.gz OOTSNDGNANYIII-NGZCFLSTSA-N 1 3 240.351 0.116 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334916609 386991803 /nfs/dbraw/zinc/99/18/03/386991803.db2.gz CPWZPUGBSKHNME-MNOVXSKESA-N 1 3 240.351 0.213 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000334920894 386996897 /nfs/dbraw/zinc/99/68/97/386996897.db2.gz BOFFHYPHPRCRNU-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C ZINC000368684620 387001674 /nfs/dbraw/zinc/00/16/74/387001674.db2.gz VQQHJUPZLJZYOE-MNOVXSKESA-N 1 3 227.352 0.298 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000398998471 387036946 /nfs/dbraw/zinc/03/69/46/387036946.db2.gz BKLDRYRWUGVMHR-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000398998471 387036949 /nfs/dbraw/zinc/03/69/49/387036949.db2.gz BKLDRYRWUGVMHR-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074209 387043377 /nfs/dbraw/zinc/04/33/77/387043377.db2.gz HQVBZERFBOSMGL-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1NCCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000333707001 387051905 /nfs/dbraw/zinc/05/19/05/387051905.db2.gz RQIHRPROKAAMJF-OUAUKWLOSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC2([NH3+])CCC2)C1 ZINC000334969842 387054302 /nfs/dbraw/zinc/05/43/02/387054302.db2.gz FKTCGMPSINQCML-ZJUUUORDSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3CCCCN3)C[C@H]12 ZINC000648109163 387064995 /nfs/dbraw/zinc/06/49/95/387064995.db2.gz CEGAKGSHZHSQCN-YFKTTZPYSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H]1NCCN(C(=O)NCC2([NH3+])CCC2)[C@H]1C ZINC000334933125 387009177 /nfs/dbraw/zinc/00/91/77/387009177.db2.gz UIZPXMLYFYMYJE-UWVGGRQHSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)[C@H](C)CN1 ZINC000334932376 387009303 /nfs/dbraw/zinc/00/93/03/387009303.db2.gz QFXZESJCTOXSSF-NXEZZACHSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943916 387022212 /nfs/dbraw/zinc/02/22/12/387022212.db2.gz KTAHNFKHGHSBIW-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943918 387022432 /nfs/dbraw/zinc/02/24/32/387022432.db2.gz KTAHNFKHGHSBIW-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000370223704 387098049 /nfs/dbraw/zinc/09/80/49/387098049.db2.gz VBPXMQFOJBOVCT-ADEWGFFLSA-N 1 3 233.315 0.287 20 0 BCADHO CCN(CC)CC(=O)NCC[NH+](CC)CC ZINC000068017850 387100562 /nfs/dbraw/zinc/10/05/62/387100562.db2.gz ONEGNHKFFMNVFW-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO CC[C@@H](C(=O)NC(C)(C)C[NH3+])N(CC)CC ZINC000359436702 387102383 /nfs/dbraw/zinc/10/23/83/387102383.db2.gz XTCJJJBNIUJFGQ-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335010057 387105535 /nfs/dbraw/zinc/10/55/35/387105535.db2.gz MIOOEVAKMHKMGM-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNC(=O)C1CC1 ZINC000160685101 387111864 /nfs/dbraw/zinc/11/18/64/387111864.db2.gz PFQSKAOCHLLXNK-RYUDHWBXSA-N 1 3 239.363 0.620 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685101 387111869 /nfs/dbraw/zinc/11/18/69/387111869.db2.gz PFQSKAOCHLLXNK-RYUDHWBXSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@]1(F)CNCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647981639 387114505 /nfs/dbraw/zinc/11/45/05/387114505.db2.gz CNFXEHLIYQTQOS-QWRGUYRKSA-N 1 3 215.316 0.229 20 0 BCADHO CCCNCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000423309077 387146073 /nfs/dbraw/zinc/14/60/73/387146073.db2.gz KWRCIRFUYMBQDQ-JTQLQIEISA-N 1 3 227.352 0.633 20 0 BCADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2(N)CCC2)C1 ZINC000423343140 387192824 /nfs/dbraw/zinc/19/28/24/387192824.db2.gz ZGGVVLOOXYHLQN-GHMZBOCLSA-N 1 3 211.353 0.798 20 0 BCADHO [NH3+]CC[C@@H](NC(=O)[C@H]1CCCCN1)C(F)F ZINC000571763585 387163231 /nfs/dbraw/zinc/16/32/31/387163231.db2.gz KHNJZQHQGOFIHU-HTQZYQBOSA-N 1 3 235.278 0.227 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423323555 387166883 /nfs/dbraw/zinc/16/68/83/387166883.db2.gz ICTIZRKGGQDHIS-JHJVBQTASA-N 1 3 225.380 0.916 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(N)CCC1 ZINC000423324523 387167865 /nfs/dbraw/zinc/16/78/65/387167865.db2.gz KIYCPWSMTHYOEP-ZYHUDNBSSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NCC1([NH3+])CCC1 ZINC000423324523 387167870 /nfs/dbraw/zinc/16/78/70/387167870.db2.gz KIYCPWSMTHYOEP-ZYHUDNBSSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@H](N)C2CC2)CN1C1CC1 ZINC000423337684 387186093 /nfs/dbraw/zinc/18/60/93/387186093.db2.gz YRGZBMZFXPNLJH-CDMKHQONSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973195 387188784 /nfs/dbraw/zinc/18/87/84/387188784.db2.gz GIZJKDOPRBUTCK-QWRGUYRKSA-N 1 3 225.336 0.278 20 0 BCADHO O=C([C@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000062973011 387189212 /nfs/dbraw/zinc/18/92/12/387189212.db2.gz KWEGNWOREFLAKH-VXGBXAGGSA-N 1 3 237.347 0.435 20 0 BCADHO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H](N2CCCC2)C1 ZINC000062972921 387189360 /nfs/dbraw/zinc/18/93/60/387189360.db2.gz KZNNWUSZULXYPY-NWDGAFQWSA-N 1 3 237.347 0.293 20 0 BCADHO CC(C)[C@H](C(=O)NCC1CC[NH2+]CC1)N(C)C ZINC000120499017 387189476 /nfs/dbraw/zinc/18/94/76/387189476.db2.gz NAHCRBUHKFBLAE-GFCCVEGCSA-N 1 3 241.379 0.688 20 0 BCADHO [NH3+]CCCC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973493 387190676 /nfs/dbraw/zinc/19/06/76/387190676.db2.gz VISSCPKTRLQOIU-GFCCVEGCSA-N 1 3 239.363 0.812 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571883570 387191452 /nfs/dbraw/zinc/19/14/52/387191452.db2.gz BSESZVRCBQWMJY-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000571883571 387191543 /nfs/dbraw/zinc/19/15/43/387191543.db2.gz BSESZVRCBQWMJY-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000353448430 387204476 /nfs/dbraw/zinc/20/44/76/387204476.db2.gz MMHVKVJEOWMQER-TUAOUCFPSA-N 1 3 241.379 0.687 20 0 BCADHO C[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423358468 387211296 /nfs/dbraw/zinc/21/12/96/387211296.db2.gz NKGPZKOINXECST-QJPTWQEYSA-N 1 3 223.364 0.953 20 0 BCADHO CN1CCC[C@H]1CC[N@H+](C)C1CC(O)C1 ZINC000353500962 387217632 /nfs/dbraw/zinc/21/76/32/387217632.db2.gz YXWMGHBFWMVLKX-UNXYVOJBSA-N 1 3 212.337 0.926 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+](C)C1CC(O)C1 ZINC000353500962 387217636 /nfs/dbraw/zinc/21/76/36/387217636.db2.gz YXWMGHBFWMVLKX-UNXYVOJBSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418210674 387221412 /nfs/dbraw/zinc/22/14/12/387221412.db2.gz SSAYOTJFDODDCP-DCAQKATOSA-N 1 3 242.367 0.328 20 0 BCADHO C[NH+](C)CCOCCNCc1cccnc1 ZINC000230004977 387227694 /nfs/dbraw/zinc/22/76/94/387227694.db2.gz AOONCCCCBRVHCZ-UHFFFAOYSA-N 1 3 223.320 0.749 20 0 BCADHO CN(C)C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000572102398 387234447 /nfs/dbraw/zinc/23/44/47/387234447.db2.gz QMIVHCNECGVNCI-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO CN(C)C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000572102398 387234450 /nfs/dbraw/zinc/23/44/50/387234450.db2.gz QMIVHCNECGVNCI-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO COC[C@@H](CO)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000353609112 387240935 /nfs/dbraw/zinc/24/09/35/387240935.db2.gz AFNPPKAHGRUESJ-GFCCVEGCSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000352482454 387247812 /nfs/dbraw/zinc/24/78/12/387247812.db2.gz UFPIYZJMMQENAE-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](CNC(=O)C12CCCN1CCC2)[NH+](C)C ZINC000352482454 387247817 /nfs/dbraw/zinc/24/78/17/387247817.db2.gz UFPIYZJMMQENAE-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000572155912 387250267 /nfs/dbraw/zinc/25/02/67/387250267.db2.gz XLCSVHIXTGSOII-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423426307 387252173 /nfs/dbraw/zinc/25/21/73/387252173.db2.gz HPHJOAWTOXFGQH-PREPNJAASA-N 1 3 209.337 0.134 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000571893821 387195745 /nfs/dbraw/zinc/19/57/45/387195745.db2.gz FBNBFCMPIXWHRQ-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000571893821 387195749 /nfs/dbraw/zinc/19/57/49/387195749.db2.gz FBNBFCMPIXWHRQ-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CCN1C[C@H](NC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000423348143 387197998 /nfs/dbraw/zinc/19/79/98/387197998.db2.gz SSVZHTLTYZSHCT-SRVKXCTJSA-N 1 3 211.353 0.526 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CCN1 ZINC000648121517 387310156 /nfs/dbraw/zinc/31/01/56/387310156.db2.gz RPGNRCYJOWLFLE-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@@H](C(=O)N1CCC(CC[NH3+])CC1)C1CCC1 ZINC000514945641 387312348 /nfs/dbraw/zinc/31/23/48/387312348.db2.gz OCWPTEBYIJTMIW-GFCCVEGCSA-N 1 3 239.363 0.701 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336432900 387258583 /nfs/dbraw/zinc/25/85/83/387258583.db2.gz PNWQTRADPKNUHF-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000645684964 387270305 /nfs/dbraw/zinc/27/03/05/387270305.db2.gz PARJQVVLACRSEW-LOWVWBTDSA-N 1 3 237.347 0.196 20 0 BCADHO CC[NH2+][C@H](C)CN[C@H]1CN(CC)C[C@H]1C ZINC000423393110 387278098 /nfs/dbraw/zinc/27/80/98/387278098.db2.gz YKHMKAONZRRYIN-UTUOFQBUSA-N 1 3 213.369 0.914 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CCSC ZINC000572241141 387286283 /nfs/dbraw/zinc/28/62/83/387286283.db2.gz NGXBERNBFPFEJR-VIFPVBQESA-N 1 3 247.408 0.701 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCCO[C@@H]21 ZINC000423442719 387292739 /nfs/dbraw/zinc/29/27/39/387292739.db2.gz VHBBRRSNZFPSGO-QXMWZZNTSA-N 1 3 236.359 0.997 20 0 BCADHO CCN1C[C@@H](C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423452276 387298846 /nfs/dbraw/zinc/29/88/46/387298846.db2.gz HPHJOAWTOXFGQH-GCHJQGSQSA-N 1 3 209.337 0.134 20 0 BCADHO CCN1C[C@@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000423452277 387300604 /nfs/dbraw/zinc/30/06/04/387300604.db2.gz HPHJOAWTOXFGQH-ZIQFBCGOSA-N 1 3 209.337 0.134 20 0 BCADHO CCC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000423461562 387308351 /nfs/dbraw/zinc/30/83/51/387308351.db2.gz JUJYSIKNFQHDEM-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC)N(C)C ZINC000423603764 387384336 /nfs/dbraw/zinc/38/43/36/387384336.db2.gz HQGGTCIFJQFLIC-MNOVXSKESA-N 1 3 229.368 0.831 20 0 BCADHO CC[C@H](Cn1cncn1)NCCC[NH2+]C1CC1 ZINC000423543509 387367733 /nfs/dbraw/zinc/36/77/33/387367733.db2.gz BZRUJDJMCHKAJJ-LLVKDONJSA-N 1 3 237.351 0.788 20 0 BCADHO CC[C@H](Cn1cncn1)[NH2+]CCCNC1CC1 ZINC000423543509 387367738 /nfs/dbraw/zinc/36/77/38/387367738.db2.gz BZRUJDJMCHKAJJ-LLVKDONJSA-N 1 3 237.351 0.788 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000515351615 387369911 /nfs/dbraw/zinc/36/99/11/387369911.db2.gz MULJHITVIIOFPQ-ZYHUDNBSSA-N 1 3 243.351 0.080 20 0 BCADHO CC[C@@H](C(=O)NCCCC[NH+](C)C)N(C)C ZINC000360955870 387374280 /nfs/dbraw/zinc/37/42/80/387374280.db2.gz DWOBTIXUVOEPJI-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO C[C@@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473887 387320261 /nfs/dbraw/zinc/32/02/61/387320261.db2.gz GYIYMBHUGIFJHO-KXUCPTDWSA-N 1 3 233.306 0.714 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000643462775 387321195 /nfs/dbraw/zinc/32/11/95/387321195.db2.gz LVWJYTBXCFHSJA-JHJVBQTASA-N 1 3 223.364 0.940 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462781 387321920 /nfs/dbraw/zinc/32/19/20/387321920.db2.gz LVWJYTBXCFHSJA-YNEHKIRRSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@]1(C(=O)NC2CC[NH2+]CC2)CCCCN1 ZINC000336498322 387322204 /nfs/dbraw/zinc/32/22/04/387322204.db2.gz WPGDCUZPTYIWLB-GFCCVEGCSA-N 1 3 225.336 0.387 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000423483938 387328319 /nfs/dbraw/zinc/32/83/19/387328319.db2.gz QKBRMYKUCWYJJP-LPEHRKFASA-N 1 3 233.306 0.701 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C12CCCN1CCC2 ZINC000423499518 387340482 /nfs/dbraw/zinc/34/04/82/387340482.db2.gz BSOHHMHYBLNRDO-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO COCCN1CC[C@@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501246 387352542 /nfs/dbraw/zinc/35/25/42/387352542.db2.gz AWHPBNBNMIKHKH-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781857 387425894 /nfs/dbraw/zinc/42/58/94/387425894.db2.gz YEXLPXRUSVYLCY-GRYCIOLGSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781857 387425900 /nfs/dbraw/zinc/42/59/00/387425900.db2.gz YEXLPXRUSVYLCY-GRYCIOLGSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781857 387425901 /nfs/dbraw/zinc/42/59/01/387425901.db2.gz YEXLPXRUSVYLCY-GRYCIOLGSA-N 1 3 237.347 0.434 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000515843133 387433597 /nfs/dbraw/zinc/43/35/97/387433597.db2.gz RSNYMWONHIVBLJ-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[NH+](C)CCC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000361296097 387434862 /nfs/dbraw/zinc/43/48/62/387434862.db2.gz IRZGWYGIZJYGOF-QWHCGFSZSA-N 1 3 242.363 0.410 20 0 BCADHO CC[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098300 387452558 /nfs/dbraw/zinc/45/25/58/387452558.db2.gz URPFCTFQAAZZFD-SNVBAGLBSA-N 1 3 213.325 0.324 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423949947 387457576 /nfs/dbraw/zinc/45/75/76/387457576.db2.gz NNOAAPLCBAEDGI-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000423601942 387385159 /nfs/dbraw/zinc/38/51/59/387385159.db2.gz HBNRXJPHLVRECX-GRYCIOLGSA-N 1 3 241.379 0.973 20 0 BCADHO CCC[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000423612056 387388158 /nfs/dbraw/zinc/38/81/58/387388158.db2.gz SYZVCWOGPSOPJX-TUAOUCFPSA-N 1 3 239.363 0.395 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)N(C)C ZINC000423656292 387391179 /nfs/dbraw/zinc/39/11/79/387391179.db2.gz WLLPFVALYMUTSL-MXWKQRLJSA-N 1 3 227.352 0.521 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423656527 387391494 /nfs/dbraw/zinc/39/14/94/387391494.db2.gz XAIJRQSEYNFKMA-KXNHARMFSA-N 1 3 239.363 0.807 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423656636 387392582 /nfs/dbraw/zinc/39/25/82/387392582.db2.gz XICAELQFNMYBCA-GRYCIOLGSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423963310 387460033 /nfs/dbraw/zinc/46/00/33/387460033.db2.gz PNRNDJDCUAZLMA-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H]([NH3+])CC)N(C)C ZINC000423676279 387394932 /nfs/dbraw/zinc/39/49/32/387394932.db2.gz IQFWTKICEUDTEA-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H]([NH3+])CC)N(C)C ZINC000423676275 387395423 /nfs/dbraw/zinc/39/54/23/387395423.db2.gz IQFWTKICEUDTEA-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000572402451 387399916 /nfs/dbraw/zinc/39/99/16/387399916.db2.gz NIVXMZSJNUTESD-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000423744138 387406374 /nfs/dbraw/zinc/40/63/74/387406374.db2.gz NGGRKMYVJIYYSC-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000036871369 387408781 /nfs/dbraw/zinc/40/87/81/387408781.db2.gz FXKXMVMLOAVYOC-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000036871369 387408786 /nfs/dbraw/zinc/40/87/86/387408786.db2.gz FXKXMVMLOAVYOC-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424007345 387465830 /nfs/dbraw/zinc/46/58/30/387465830.db2.gz VGRGZBPXHCQTEH-RYUDHWBXSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000516183019 387468266 /nfs/dbraw/zinc/46/82/66/387468266.db2.gz DXEVEOAMMUCWCN-LPEHRKFASA-N 1 3 213.325 0.371 20 0 BCADHO N[C@@H](CC(=O)NCCC[NH3+])Cc1ccccc1 ZINC000516166940 387475439 /nfs/dbraw/zinc/47/54/39/387475439.db2.gz CJBQTEWADQZREQ-GFCCVEGCSA-N 1 3 235.331 0.412 20 0 BCADHO NC1(C(=O)N2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000374630512 387475923 /nfs/dbraw/zinc/47/59/23/387475923.db2.gz KPPRIRIKIMTQJT-OPRDCNLKSA-N 1 3 223.320 0.064 20 0 BCADHO CCNC(=O)CN(CC)CC[C@H]1CC[NH2+]C1 ZINC000396743059 387488811 /nfs/dbraw/zinc/48/88/11/387488811.db2.gz UJIYVQQKLFPUKQ-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000362182206 387582078 /nfs/dbraw/zinc/58/20/78/387582078.db2.gz BZJZNMKJNIJSRW-RWMBFGLXSA-N 1 3 244.379 0.798 20 0 BCADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362182206 387582080 /nfs/dbraw/zinc/58/20/80/387582080.db2.gz BZJZNMKJNIJSRW-RWMBFGLXSA-N 1 3 244.379 0.798 20 0 BCADHO [NH3+]CC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000238032394 387591838 /nfs/dbraw/zinc/59/18/38/387591838.db2.gz DYUOKWUQACPJCI-LLVKDONJSA-N 1 3 225.336 0.326 20 0 BCADHO [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000237857817 387593616 /nfs/dbraw/zinc/59/36/16/387593616.db2.gz XYQHIHFTDKEOQI-GHMZBOCLSA-N 1 3 225.336 0.326 20 0 BCADHO NC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCCC1 ZINC000238057597 387593632 /nfs/dbraw/zinc/59/36/32/387593632.db2.gz LGDWFTJVTATGHL-JTQLQIEISA-N 1 3 225.336 0.455 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000422536217 387594988 /nfs/dbraw/zinc/59/49/88/387594988.db2.gz DUNOHBUFSSMIEP-RYUDHWBXSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422545764 387596931 /nfs/dbraw/zinc/59/69/31/387596931.db2.gz XVIIIANAQISBSX-VLEAKVRGSA-N 1 3 227.352 0.556 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@H]1CCCCN1 ZINC000041679543 387604453 /nfs/dbraw/zinc/60/44/53/387604453.db2.gz LISGLRYVXZIVSX-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H](O)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000124386959 387616026 /nfs/dbraw/zinc/61/60/26/387616026.db2.gz PZAQLGYUYKBQDI-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124386959 387616029 /nfs/dbraw/zinc/61/60/29/387616029.db2.gz PZAQLGYUYKBQDI-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO CCC(CC)[C@H](O)CN[C@@H](C)C1C[NH2+]C1 ZINC000422700873 387616253 /nfs/dbraw/zinc/61/62/53/387616253.db2.gz AYBMKJCRZQUJQN-JOYOIKCWSA-N 1 3 214.353 0.981 20 0 BCADHO CCC(CC)[C@H](O)C[NH2+][C@@H](C)C1CNC1 ZINC000422700873 387616257 /nfs/dbraw/zinc/61/62/57/387616257.db2.gz AYBMKJCRZQUJQN-JOYOIKCWSA-N 1 3 214.353 0.981 20 0 BCADHO CCC(CC)[C@@H](O)CN[C@@H](C)C1C[NH2+]C1 ZINC000422700872 387616609 /nfs/dbraw/zinc/61/66/09/387616609.db2.gz AYBMKJCRZQUJQN-CABZTGNLSA-N 1 3 214.353 0.981 20 0 BCADHO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)C1CNC1 ZINC000422700872 387616615 /nfs/dbraw/zinc/61/66/15/387616615.db2.gz AYBMKJCRZQUJQN-CABZTGNLSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)C)[C@@H](C)[NH3+] ZINC000399554378 387555365 /nfs/dbraw/zinc/55/53/65/387555365.db2.gz ASSUZFTUXRDIOI-MXWKQRLJSA-N 1 3 229.368 0.672 20 0 BCADHO CC[NH+](CC)CCN1CCO[C@H](CN(C)C)C1 ZINC000119639338 387555582 /nfs/dbraw/zinc/55/55/82/387555582.db2.gz AKXWXYDCULZNND-CYBMUJFWSA-N 1 3 243.395 0.591 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001337 387558709 /nfs/dbraw/zinc/55/87/09/387558709.db2.gz CRVPWBQRIRUHHP-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)N(C)C ZINC000422714031 387627447 /nfs/dbraw/zinc/62/74/47/387627447.db2.gz QLXIZUPYBYSFSP-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042293 387570589 /nfs/dbraw/zinc/57/05/89/387570589.db2.gz PZZWQFRSXOVIAT-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO NC1(C(=O)N2CCC([NH3+])CC2)CCCCC1 ZINC000237861811 387578792 /nfs/dbraw/zinc/57/87/92/387578792.db2.gz AMTWDUGLISOGTB-UHFFFAOYSA-N 1 3 225.336 0.598 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@]1(F)CCNC1 ZINC000377144339 387694659 /nfs/dbraw/zinc/69/46/59/387694659.db2.gz BFXCYLFZJMQWAI-LLVKDONJSA-N 1 3 231.315 0.131 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377144816 387694683 /nfs/dbraw/zinc/69/46/83/387694683.db2.gz KOXIPGLLMNZRPC-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]1COCCN1CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422720907 387632682 /nfs/dbraw/zinc/63/26/82/387632682.db2.gz UDJWUTTYZBVBLL-AGIUHOORSA-N 1 3 241.379 0.424 20 0 BCADHO C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@H]1CN ZINC000422720907 387632685 /nfs/dbraw/zinc/63/26/85/387632685.db2.gz UDJWUTTYZBVBLL-AGIUHOORSA-N 1 3 241.379 0.424 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@]1(F)CCNC1 ZINC000377144340 387694896 /nfs/dbraw/zinc/69/48/96/387694896.db2.gz BFXCYLFZJMQWAI-NSHDSACASA-N 1 3 231.315 0.131 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000422794696 387694941 /nfs/dbraw/zinc/69/49/41/387694941.db2.gz ZIWJXOAGPAQPHH-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430698381 387640891 /nfs/dbraw/zinc/64/08/91/387640891.db2.gz VAUFGXGTFJJSKZ-AAEUAGOBSA-N 1 3 241.379 0.960 20 0 BCADHO COC[C@@](C)(CCO)NCC[C@@H]1CCC[N@@H+]1C ZINC000125181146 387647196 /nfs/dbraw/zinc/64/71/96/387647196.db2.gz PVDJRJMRUIUHRJ-QWHCGFSZSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@@](C)(CCO)NCC[C@@H]1CCC[N@H+]1C ZINC000125181146 387647201 /nfs/dbraw/zinc/64/72/01/387647201.db2.gz PVDJRJMRUIUHRJ-QWHCGFSZSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@@](C)(CCO)[NH2+]CC[C@@H]1CCCN1C ZINC000125181146 387647204 /nfs/dbraw/zinc/64/72/04/387647204.db2.gz PVDJRJMRUIUHRJ-QWHCGFSZSA-N 1 3 244.379 0.848 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(C2CC2)C1 ZINC000422746165 387649940 /nfs/dbraw/zinc/64/99/40/387649940.db2.gz WBVXXFJVAAEFJY-AXFHLTTASA-N 1 3 211.353 0.939 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000422746672 387650403 /nfs/dbraw/zinc/65/04/03/387650403.db2.gz OCJMIRBYSZSWNY-NWDGAFQWSA-N 1 3 239.363 0.762 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)C[C@H]1C ZINC000430795865 387651072 /nfs/dbraw/zinc/65/10/72/387651072.db2.gz IMXCEHWTVWYABR-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)C[C@H]1C ZINC000430795865 387651075 /nfs/dbraw/zinc/65/10/75/387651075.db2.gz IMXCEHWTVWYABR-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1C ZINC000430783607 387652480 /nfs/dbraw/zinc/65/24/80/387652480.db2.gz MZVHILXFVFFRAM-NXEZZACHSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1C ZINC000430783607 387652483 /nfs/dbraw/zinc/65/24/83/387652483.db2.gz MZVHILXFVFFRAM-NXEZZACHSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])[C@@H](C)N1CCOCC1 ZINC000422747968 387652950 /nfs/dbraw/zinc/65/29/50/387652950.db2.gz ZZPDKEWRXBVXFB-WUHRBBMRSA-N 1 3 243.395 0.811 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)C[C@H](C)N)[C@@H](C)N1CCOCC1 ZINC000422747968 387652954 /nfs/dbraw/zinc/65/29/54/387652954.db2.gz ZZPDKEWRXBVXFB-WUHRBBMRSA-N 1 3 243.395 0.811 20 0 BCADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)CN)C1 ZINC000430808723 387654960 /nfs/dbraw/zinc/65/49/60/387654960.db2.gz NNDPBRHUSCHORC-LLVKDONJSA-N 1 3 225.336 0.135 20 0 BCADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)CN)C1 ZINC000430808723 387654965 /nfs/dbraw/zinc/65/49/65/387654965.db2.gz NNDPBRHUSCHORC-LLVKDONJSA-N 1 3 225.336 0.135 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362770826 387658022 /nfs/dbraw/zinc/65/80/22/387658022.db2.gz VHGPEADBUHYNEG-GHMZBOCLSA-N 1 3 227.352 0.252 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362770826 387658025 /nfs/dbraw/zinc/65/80/25/387658025.db2.gz VHGPEADBUHYNEG-GHMZBOCLSA-N 1 3 227.352 0.252 20 0 BCADHO CN(C(=O)C(C)(C)C[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000430898988 387659647 /nfs/dbraw/zinc/65/96/47/387659647.db2.gz YLBWTAFKHAWYKR-NSHDSACASA-N 1 3 239.363 0.666 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305966091 387668168 /nfs/dbraw/zinc/66/81/68/387668168.db2.gz XUJIOXPHUDYDNB-XQQFMLRXSA-N 1 3 242.363 0.600 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305966091 387668171 /nfs/dbraw/zinc/66/81/71/387668171.db2.gz XUJIOXPHUDYDNB-XQQFMLRXSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019067 387670587 /nfs/dbraw/zinc/67/05/87/387670587.db2.gz KPMGYJUXPFQRJC-GXSJLCMTSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C12CCCN1CCC2 ZINC000422776501 387672298 /nfs/dbraw/zinc/67/22/98/387672298.db2.gz DTBAODMAFLKLQJ-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H]([NH3+])CCNC(=O)C12CCCN1CCC2 ZINC000422776502 387672941 /nfs/dbraw/zinc/67/29/41/387672941.db2.gz DTBAODMAFLKLQJ-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO COCCCN(C)CC[NH2+][C@@H]1CCC[C@H]1N ZINC000422785327 387683129 /nfs/dbraw/zinc/68/31/29/387683129.db2.gz QVEOMKTZDYBQKV-VXGBXAGGSA-N 1 3 229.368 0.424 20 0 BCADHO COCCCN(C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422786549 387686090 /nfs/dbraw/zinc/68/60/90/387686090.db2.gz SMAFJRYAVKQAPL-QWHCGFSZSA-N 1 3 243.395 0.542 20 0 BCADHO COCCCN(C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422786548 387686924 /nfs/dbraw/zinc/68/69/24/387686924.db2.gz SMAFJRYAVKQAPL-OLZOCXBDSA-N 1 3 243.395 0.542 20 0 BCADHO CN(C(=O)[C@@H]1C[C@@H]1[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000424140589 387690430 /nfs/dbraw/zinc/69/04/30/387690430.db2.gz BJOMWSUAAMECQG-MXWKQRLJSA-N 1 3 223.320 0.029 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000422864479 387745744 /nfs/dbraw/zinc/74/57/44/387745744.db2.gz NEOVXFFAMMNSOR-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](CCO)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422871471 387748669 /nfs/dbraw/zinc/74/86/69/387748669.db2.gz YZPFMBUKCOGNLH-TUAOUCFPSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424143167 387748930 /nfs/dbraw/zinc/74/89/30/387748930.db2.gz ZFSDZKKFLWQRGE-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO COCCOCCCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422793914 387697206 /nfs/dbraw/zinc/69/72/06/387697206.db2.gz XQGULAARKGCTFH-VXGBXAGGSA-N 1 3 230.352 0.627 20 0 BCADHO CCC[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)C ZINC000422804705 387701472 /nfs/dbraw/zinc/70/14/72/387701472.db2.gz KXZXPJHMEDRFNC-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO N[C@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422801812 387702157 /nfs/dbraw/zinc/70/21/57/387702157.db2.gz AQLFUHMSHFTCML-RYUDHWBXSA-N 1 3 211.353 0.942 20 0 BCADHO [NH3+][C@H]1CCC[C@@H]1NCCN1CCCCC1 ZINC000422801812 387702159 /nfs/dbraw/zinc/70/21/59/387702159.db2.gz AQLFUHMSHFTCML-RYUDHWBXSA-N 1 3 211.353 0.942 20 0 BCADHO COC[C@H](O)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000127115998 387707147 /nfs/dbraw/zinc/70/71/47/387707147.db2.gz NYTBWTGFXRODNW-QWHCGFSZSA-N 1 3 244.379 0.800 20 0 BCADHO COC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000127115998 387707152 /nfs/dbraw/zinc/70/71/52/387707152.db2.gz NYTBWTGFXRODNW-QWHCGFSZSA-N 1 3 244.379 0.800 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000127354661 387711812 /nfs/dbraw/zinc/71/18/12/387711812.db2.gz WLHYWHWVEBRPEG-VXGBXAGGSA-N 1 3 230.352 0.267 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127354661 387711816 /nfs/dbraw/zinc/71/18/16/387711816.db2.gz WLHYWHWVEBRPEG-VXGBXAGGSA-N 1 3 230.352 0.267 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])N(C)C ZINC000629614016 387713796 /nfs/dbraw/zinc/71/37/96/387713796.db2.gz VIRGNPIUAPLSMK-HRDYMLBCSA-N 1 3 201.314 0.179 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCn1cccn1 ZINC000422815715 387714568 /nfs/dbraw/zinc/71/45/68/387714568.db2.gz YDJLBKTUAMATON-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000431645833 387724593 /nfs/dbraw/zinc/72/45/93/387724593.db2.gz ZNONNEOFXVWFCN-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO CO[C@@H]1C[C@H](N[C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854299 387738696 /nfs/dbraw/zinc/73/86/96/387738696.db2.gz UAPMQDTVCKMHNY-INTQDDNPSA-N 1 3 212.337 0.997 20 0 BCADHO CO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CNC2)C1(C)C ZINC000422854299 387738700 /nfs/dbraw/zinc/73/87/00/387738700.db2.gz UAPMQDTVCKMHNY-INTQDDNPSA-N 1 3 212.337 0.997 20 0 BCADHO CCC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)N(C)C ZINC000422856568 387740631 /nfs/dbraw/zinc/74/06/31/387740631.db2.gz WYIQCVIBHHYEOR-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H]2CNCC[C@@H]2C)C1 ZINC000422890338 387763165 /nfs/dbraw/zinc/76/31/65/387763165.db2.gz RSRNZORJSDVXEV-AVGNSLFASA-N 1 3 241.379 0.295 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCN1C ZINC000422908557 387768590 /nfs/dbraw/zinc/76/85/90/387768590.db2.gz YQJDENBXVDVLJQ-UTUOFQBUSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000422910381 387768841 /nfs/dbraw/zinc/76/88/41/387768841.db2.gz HYZRRFUERMGSIK-LPEHRKFASA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000441599599 387771624 /nfs/dbraw/zinc/77/16/24/387771624.db2.gz OYUDLYLSSGSYLK-PWSUYJOCSA-N 1 3 235.331 0.788 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000441626727 387773217 /nfs/dbraw/zinc/77/32/17/387773217.db2.gz JHBMYABFDCWNIX-CMPLNLGQSA-N 1 3 235.331 0.267 20 0 BCADHO CC[C@H](NC[C@@H](O)CN(C)C)[C@@H]1CCC[NH2+]1 ZINC000422980252 387791527 /nfs/dbraw/zinc/79/15/27/387791527.db2.gz OZBUHILMJAJWNB-WOPDTQHZSA-N 1 3 229.368 0.029 20 0 BCADHO C[C@H](N[C@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992520 387800991 /nfs/dbraw/zinc/80/09/91/387800991.db2.gz CUVBFSVVSJPAQN-ONGXEEELSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)C1CNC1 ZINC000422992520 387800993 /nfs/dbraw/zinc/80/09/93/387800993.db2.gz CUVBFSVVSJPAQN-ONGXEEELSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H]1CN(C[C@H](C)[NH3+])CCN1C[C@H](C)O ZINC000442654293 387807702 /nfs/dbraw/zinc/80/77/02/387807702.db2.gz AYDFZLNEGSLGPZ-SDDRHHMPSA-N 1 3 229.368 0.111 20 0 BCADHO C[NH2+]CCNC(=O)N(CCN(C)C)C(C)C ZINC000418323229 387829794 /nfs/dbraw/zinc/82/97/94/387829794.db2.gz FRAOMCWHSRABOF-UHFFFAOYSA-N 1 3 230.356 0.187 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423010296 387834645 /nfs/dbraw/zinc/83/46/45/387834645.db2.gz XKHNECMVCMHBDO-GHMZBOCLSA-N 1 3 220.320 0.963 20 0 BCADHO COC[C@@H](NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000433007112 387849210 /nfs/dbraw/zinc/84/92/10/387849210.db2.gz UERBQPUEXUQILZ-OLZOCXBDSA-N 1 3 242.363 0.864 20 0 BCADHO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2N)CCC1 ZINC000423057671 387865127 /nfs/dbraw/zinc/86/51/27/387865127.db2.gz HVQDPAMVTMEUKK-GHMZBOCLSA-N 1 3 211.353 0.940 20 0 BCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000424172885 387868076 /nfs/dbraw/zinc/86/80/76/387868076.db2.gz LOEDZEMYKYPSBU-UTLUCORTSA-N 1 3 225.336 0.228 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000433136279 387868678 /nfs/dbraw/zinc/86/86/78/387868678.db2.gz XGVIPXJUTALDHZ-GMTAPVOTSA-N 1 3 227.352 0.426 20 0 BCADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422964842 387814277 /nfs/dbraw/zinc/81/42/77/387814277.db2.gz JWRDJOIHXLSYDY-GHMZBOCLSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184985 387898882 /nfs/dbraw/zinc/89/88/82/387898882.db2.gz YXFJVGNWGXUEEV-ZNSHCXBVSA-N 1 3 225.336 0.132 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424182525 387897947 /nfs/dbraw/zinc/89/79/47/387897947.db2.gz UHLBTXGTJKXQRC-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO COC[C@H](NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643537410 387875914 /nfs/dbraw/zinc/87/59/14/387875914.db2.gz HIYMUILLMQMQPF-DCAQKATOSA-N 1 3 216.300 0.701 20 0 BCADHO CCN(CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645857439 387876579 /nfs/dbraw/zinc/87/65/79/387876579.db2.gz FPWOKRWOPZMHKS-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@H]1CCCCC[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538658 387878533 /nfs/dbraw/zinc/87/85/33/387878533.db2.gz QYBPMWUVBVQBAT-FIQHERPVSA-N 1 3 229.343 0.936 20 0 BCADHO CC[C@@H]1CN(CC[NH2+]C2CCNCC2)CCO1 ZINC000423090356 387883608 /nfs/dbraw/zinc/88/36/08/387883608.db2.gz VFXILWZYJLVSDT-CYBMUJFWSA-N 1 3 241.379 0.439 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232631 387911387 /nfs/dbraw/zinc/91/13/87/387911387.db2.gz LSQXFKGRCPBILB-CHWFTXMASA-N 1 3 225.336 0.038 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000423154219 387932884 /nfs/dbraw/zinc/93/28/84/387932884.db2.gz IWHUPDQEDUYTPX-MXWKQRLJSA-N 1 3 227.352 0.631 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000424198598 387926820 /nfs/dbraw/zinc/92/68/20/387926820.db2.gz PQNKWIHDLPIAFO-WUHRBBMRSA-N 1 3 245.326 0.205 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424198462 387927104 /nfs/dbraw/zinc/92/71/04/387927104.db2.gz PIWVFPQVPJISBA-AGIUHOORSA-N 1 3 247.342 0.712 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1CCCCN1CCO ZINC000423149581 387928065 /nfs/dbraw/zinc/92/80/65/387928065.db2.gz XUPNWBODHGOJFY-YNEHKIRRSA-N 1 3 243.395 0.549 20 0 BCADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])C(=O)NC ZINC000423167611 387952520 /nfs/dbraw/zinc/95/25/20/387952520.db2.gz SPVPMYMPEFHELY-GARJFASQSA-N 1 3 227.352 0.618 20 0 BCADHO CCN1C[C@H](N[C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000423158416 387937962 /nfs/dbraw/zinc/93/79/62/387937962.db2.gz WRUCLGACZUXLOB-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000156222870 387940839 /nfs/dbraw/zinc/94/08/39/387940839.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156222870 387940841 /nfs/dbraw/zinc/94/08/41/387940841.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156222870 387940844 /nfs/dbraw/zinc/94/08/44/387940844.db2.gz RKWKSVBYEUNOLE-OLZOCXBDSA-N 1 3 243.395 0.637 20 0 BCADHO CC(C)[C@H](CO)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423107961 387946846 /nfs/dbraw/zinc/94/68/46/387946846.db2.gz LTVFHOBPWRFGCA-SRVKXCTJSA-N 1 3 214.353 0.839 20 0 BCADHO CCN(C)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000158784404 387961346 /nfs/dbraw/zinc/96/13/46/387961346.db2.gz FZFFEUOCBCYWMG-RYUDHWBXSA-N 1 3 213.369 0.868 20 0 BCADHO C[C@@H](Cc1ccoc1)NC[C@@H](O)C[NH+](C)C ZINC000453095017 387981631 /nfs/dbraw/zinc/98/16/31/387981631.db2.gz GUTBMLKJSXNXIV-CMPLNLGQSA-N 1 3 226.320 0.723 20 0 BCADHO CC(C)CN1CCCC[C@H]1CNC(N)=[NH2+] ZINC000439010858 387973990 /nfs/dbraw/zinc/97/39/90/387973990.db2.gz OXCPHJQEJAXDRE-JTQLQIEISA-N 1 3 212.341 0.980 20 0 BCADHO COc1ccc2c(c1)C[C@H](NCCC[NH3+])CO2 ZINC000423192964 387977932 /nfs/dbraw/zinc/97/79/32/387977932.db2.gz QJWHDTUXZPDQAY-NSHDSACASA-N 1 3 236.315 0.937 20 0 BCADHO C[C@H](NCCN1CC[NH2+]CC1)c1cccc(O)c1 ZINC000423201394 387988517 /nfs/dbraw/zinc/98/85/17/387988517.db2.gz INXXLDOVYWGBGF-LBPRGKRZSA-N 1 3 249.358 0.948 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423196996 387982450 /nfs/dbraw/zinc/98/24/50/387982450.db2.gz XENIDKKPRFSLPM-MDZLAQPJSA-N 1 3 223.364 0.811 20 0 BCADHO C[NH2+]CCCN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423200330 387986219 /nfs/dbraw/zinc/98/62/19/387986219.db2.gz LVEBNANFCIWRAK-ZYHUDNBSSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CC1(N)CCCCCC1 ZINC000423200097 387986528 /nfs/dbraw/zinc/98/65/28/387986528.db2.gz LQWICXTUOAFVFP-JTQLQIEISA-N 1 3 227.352 0.892 20 0 BCADHO C[C@H]1CN(CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000086887009 135101056 /nfs/dbraw/zinc/10/10/56/135101056.db2.gz GEKSOVGSMWNEFB-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000246258843 388024261 /nfs/dbraw/zinc/02/42/61/388024261.db2.gz KUMQAUPQSMGDDG-JBLDHEPKSA-N 1 3 243.326 0.322 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@H](F)CN1 ZINC000446294122 388011384 /nfs/dbraw/zinc/01/13/84/388011384.db2.gz VOFUAEPXBCSTTB-IQJOONFLSA-N 1 3 241.310 0.039 20 0 BCADHO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H](F)CN1 ZINC000446294122 388011387 /nfs/dbraw/zinc/01/13/87/388011387.db2.gz VOFUAEPXBCSTTB-IQJOONFLSA-N 1 3 241.310 0.039 20 0 BCADHO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H](F)CN1 ZINC000446294122 388011393 /nfs/dbraw/zinc/01/13/93/388011393.db2.gz VOFUAEPXBCSTTB-IQJOONFLSA-N 1 3 241.310 0.039 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@@H]1CCC[NH2+]1 ZINC000423229377 388015159 /nfs/dbraw/zinc/01/51/59/388015159.db2.gz BASYYRQXCQEJNA-NTZNESFSSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000446363884 388016757 /nfs/dbraw/zinc/01/67/57/388016757.db2.gz QRVWWBVCEYQBPX-SDDRHHMPSA-N 1 3 237.347 0.291 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)NCC[C@H](C)[NH3+] ZINC000423237107 388020065 /nfs/dbraw/zinc/02/00/65/388020065.db2.gz SWONWQDERKCPLG-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000261137001 135149665 /nfs/dbraw/zinc/14/96/65/135149665.db2.gz MUSKSKARQUYYDX-JTQLQIEISA-N 1 3 214.309 0.433 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000424482429 388040439 /nfs/dbraw/zinc/04/04/39/388040439.db2.gz UHXATZCLZXXWMZ-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](CC(N)=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423264010 388042265 /nfs/dbraw/zinc/04/22/65/388042265.db2.gz PLKBKJPOCPRKEL-ONGXEEELSA-N 1 3 227.352 0.748 20 0 BCADHO CCN1C[C@H](NC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423244461 388027775 /nfs/dbraw/zinc/02/77/75/388027775.db2.gz XNZPYUYKRNKLMG-TUAOUCFPSA-N 1 3 211.353 0.668 20 0 BCADHO C[NH2+]CCN[C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423249466 388031409 /nfs/dbraw/zinc/03/14/09/388031409.db2.gz SEHQMCXGAJOIEV-GMTAPVOTSA-N 1 3 228.336 0.773 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@@H]1CCCO1 ZINC000423274879 388055886 /nfs/dbraw/zinc/05/58/86/388055886.db2.gz MKJJYEZGBAYFBX-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CCN1C[C@H](NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277348 388058244 /nfs/dbraw/zinc/05/82/44/388058244.db2.gz PXLXMLBCRWYYSP-SRVKXCTJSA-N 1 3 213.369 0.772 20 0 BCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(N)CC1 ZINC000083834497 388063227 /nfs/dbraw/zinc/06/32/27/388063227.db2.gz JDKZTNQUIZXWFI-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CCN1C[C@H]([NH2+]C[C@H](N)C(C)C)[C@@H](C)C1 ZINC000423285272 388068283 /nfs/dbraw/zinc/06/82/83/388068283.db2.gz YZPUEHKUKQQGMF-SRVKXCTJSA-N 1 3 213.369 0.900 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC(C)(C)N ZINC000423289781 388075104 /nfs/dbraw/zinc/07/51/04/388075104.db2.gz YFBVYGNVPCIYTN-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[C@H](CN)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000423298290 388079511 /nfs/dbraw/zinc/07/95/11/388079511.db2.gz NYGOWRZQEXUYJY-XQQFMLRXSA-N 1 3 243.395 0.861 20 0 BCADHO CCCC[C@H](C[NH3+])N[C@@H](C)C[C@H]1COCCN1 ZINC000423298290 388079515 /nfs/dbraw/zinc/07/95/15/388079515.db2.gz NYGOWRZQEXUYJY-XQQFMLRXSA-N 1 3 243.395 0.861 20 0 BCADHO CCCC[C@H](CN)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000423298289 388080093 /nfs/dbraw/zinc/08/00/93/388080093.db2.gz NYGOWRZQEXUYJY-UPJWGTAASA-N 1 3 243.395 0.861 20 0 BCADHO CCCC[C@H](C[NH3+])N[C@H](C)C[C@H]1COCCN1 ZINC000423298289 388080095 /nfs/dbraw/zinc/08/00/95/388080095.db2.gz NYGOWRZQEXUYJY-UPJWGTAASA-N 1 3 243.395 0.861 20 0 BCADHO C[C@H](CC(=O)N(C)C)[NH2+]CCOCCN(C)C ZINC000447597120 388081999 /nfs/dbraw/zinc/08/19/99/388081999.db2.gz DPRJBRZZJZCWJD-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO C[C@@H](CC(=O)N(C)C)[NH2+]CCOCCN(C)C ZINC000447597121 388082070 /nfs/dbraw/zinc/08/20/70/388082070.db2.gz DPRJBRZZJZCWJD-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H]1CN(C2CC2)C[C@H]1C ZINC000423271185 388048707 /nfs/dbraw/zinc/04/87/07/388048707.db2.gz IRJGQDYYSFBWSX-LOWVWBTDSA-N 1 3 225.380 0.914 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN1CCCC1 ZINC000449312392 388171795 /nfs/dbraw/zinc/17/17/95/388171795.db2.gz QMESNZMBJALICH-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449328426 388173386 /nfs/dbraw/zinc/17/33/86/388173386.db2.gz JHYQNOYDIRNEAD-BXKDBHETSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000646297880 388178175 /nfs/dbraw/zinc/17/81/75/388178175.db2.gz WMIRVVQPLDWRBK-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N(C)C1CC1 ZINC000645906572 388123582 /nfs/dbraw/zinc/12/35/82/388123582.db2.gz SZUFQVJYMMEFJI-GXSJLCMTSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC1CC1 ZINC000646012789 388124033 /nfs/dbraw/zinc/12/40/33/388124033.db2.gz YLLGGHFJNOYBDO-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](CNC(=O)NC[C@H]1CCCN1C)[NH+](C)C ZINC000454635036 388126253 /nfs/dbraw/zinc/12/62/53/388126253.db2.gz UHSLDVYLMRTNOY-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO COC(=O)COC[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000449106815 388143676 /nfs/dbraw/zinc/14/36/76/388143676.db2.gz JZWXDYDGGDPWSQ-QWRGUYRKSA-N 1 3 246.351 0.494 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449115435 388144421 /nfs/dbraw/zinc/14/44/21/388144421.db2.gz LKNFASLVODQBDP-VIFPVBQESA-N 1 3 227.352 0.761 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000449112105 388144739 /nfs/dbraw/zinc/14/47/39/388144739.db2.gz BJKNVZULKXBDET-UFBFGSQYSA-N 1 3 225.336 0.371 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN(CC)C1CC1 ZINC000449115271 388144755 /nfs/dbraw/zinc/14/47/55/388144755.db2.gz LBZAGSWCFVZMNP-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000449123962 388145073 /nfs/dbraw/zinc/14/50/73/388145073.db2.gz ORBZILNQLOPXII-UMNHJUIQSA-N 1 3 239.363 0.761 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)NC1CC1 ZINC000449120974 388145258 /nfs/dbraw/zinc/14/52/58/388145258.db2.gz GGVJLNZVUITRAU-PSASIEDQSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000449123960 388145626 /nfs/dbraw/zinc/14/56/26/388145626.db2.gz ORBZILNQLOPXII-JBLDHEPKSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000449179715 388154214 /nfs/dbraw/zinc/15/42/14/388154214.db2.gz WOGZAPKQANRIEJ-BBBLOLIVSA-N 1 3 225.336 0.336 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000449498708 388218805 /nfs/dbraw/zinc/21/88/05/388218805.db2.gz KVJUEHMLHQWKAD-RKDXNWHRSA-N 1 3 213.325 0.241 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000449546144 388229356 /nfs/dbraw/zinc/22/93/56/388229356.db2.gz UVWCZBZCNNUXKK-MWGHHZFTSA-N 1 3 239.363 0.630 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449582803 388238097 /nfs/dbraw/zinc/23/80/97/388238097.db2.gz ARMDPJZCVRIYIO-KDXUFGMBSA-N 1 3 201.314 0.212 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C ZINC000449597441 388239442 /nfs/dbraw/zinc/23/94/42/388239442.db2.gz FGIIDGKYGGINCU-HTQZYQBOSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449598154 388239453 /nfs/dbraw/zinc/23/94/53/388239453.db2.gz AZCIIMCDOPGAAC-IUCAKERBSA-N 1 3 201.314 0.179 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]([NH3+])CC ZINC000449605363 388240013 /nfs/dbraw/zinc/24/00/13/388240013.db2.gz ZEOJTKWURORHQU-SCZZXKLOSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000449608494 388241864 /nfs/dbraw/zinc/24/18/64/388241864.db2.gz IBYGKBPGVGWQJF-RKDXNWHRSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449610841 388242786 /nfs/dbraw/zinc/24/27/86/388242786.db2.gz SCBWNVKPLYNNNN-JGVFFNPUSA-N 1 3 237.294 0.459 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](CC)N(CC)CC ZINC000449611412 388243516 /nfs/dbraw/zinc/24/35/16/388243516.db2.gz VOOXDTBRAJUNJK-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449621556 388244292 /nfs/dbraw/zinc/24/42/92/388244292.db2.gz HUCCGKCJVLVWHF-QMMMGPOBSA-N 1 3 237.294 0.427 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449631500 388245957 /nfs/dbraw/zinc/24/59/57/388245957.db2.gz KYKXRZJEKXCUOR-UTUOFQBUSA-N 1 3 241.379 0.994 20 0 BCADHO [NH3+][C@H]1CCC[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000449629231 388246596 /nfs/dbraw/zinc/24/65/96/388246596.db2.gz FETOXZFWDVHDRG-SDDRHHMPSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449635623 388247264 /nfs/dbraw/zinc/24/72/64/388247264.db2.gz UXAWOVDHBBJAMY-GMTAPVOTSA-N 1 3 241.379 0.994 20 0 BCADHO CN(CCNC(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491687869 388310815 /nfs/dbraw/zinc/31/08/15/388310815.db2.gz YDWRCUQPQINQEW-PLNGDYQASA-N 1 3 225.336 0.315 20 0 BCADHO CN1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492046702 388332847 /nfs/dbraw/zinc/33/28/47/388332847.db2.gz XMOOQBVDKJRISU-PLNGDYQASA-N 1 3 225.336 0.315 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491841398 388324284 /nfs/dbraw/zinc/32/42/84/388324284.db2.gz CGUIQVGZKPIJPS-SREVYHEPSA-N 1 3 227.352 0.561 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491841398 388324285 /nfs/dbraw/zinc/32/42/85/388324285.db2.gz CGUIQVGZKPIJPS-SREVYHEPSA-N 1 3 227.352 0.561 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491861917 388324964 /nfs/dbraw/zinc/32/49/64/388324964.db2.gz BFBHAHUJERGRDS-JPVGGKMYSA-N 1 3 225.336 0.315 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646373754 388347101 /nfs/dbraw/zinc/34/71/01/388347101.db2.gz ZUQGNOOTLZFFIB-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N1CCCC1 ZINC000646408514 388352157 /nfs/dbraw/zinc/35/21/57/388352157.db2.gz VYGQAFPKEGBWRL-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)CC1(C[NH3+])CC1)N(C)C ZINC000646427220 388357394 /nfs/dbraw/zinc/35/73/94/388357394.db2.gz UEKHYPBNGQWOLF-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO [NH3+]C1(CC(=O)N2CCN3CCC2CC3)CCC1 ZINC000646449963 388359662 /nfs/dbraw/zinc/35/96/62/388359662.db2.gz FRSWIVWIUFVOGV-UHFFFAOYSA-N 1 3 237.347 0.565 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646523232 388375381 /nfs/dbraw/zinc/37/53/81/388375381.db2.gz SLTRHMNBSIKPKE-NSHDSACASA-N 1 3 239.363 0.537 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)C(C)(C)C ZINC000236800124 388383771 /nfs/dbraw/zinc/38/37/71/388383771.db2.gz HPRKIDOKKQPMEH-VIFPVBQESA-N 1 3 215.341 0.476 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000236837253 388384976 /nfs/dbraw/zinc/38/49/76/388384976.db2.gz PUYAQRRVSNPHGQ-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO CN1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000300689140 388388450 /nfs/dbraw/zinc/38/84/50/388388450.db2.gz FGDDRODDPRZQON-OLZOCXBDSA-N 1 3 241.379 0.127 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000237058858 388388939 /nfs/dbraw/zinc/38/89/39/388388939.db2.gz NVQWAXHBTIZBRU-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]CCCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237130444 388390186 /nfs/dbraw/zinc/39/01/86/388390186.db2.gz GYVOUPHTWVUCOQ-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO COCCNCC(=O)NCC1([NH3+])CCCCC1 ZINC000237176097 388390638 /nfs/dbraw/zinc/39/06/38/388390638.db2.gz KJYSJVSTBAMQHN-UHFFFAOYSA-N 1 3 243.351 0.000 20 0 BCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C)CC[N@@H+]1C ZINC000648806900 388391692 /nfs/dbraw/zinc/39/16/92/388391692.db2.gz CNYAUHPJPRVRSQ-GHMZBOCLSA-N 1 3 227.352 0.347 20 0 BCADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)C)CC[N@H+]1C ZINC000648806900 388391693 /nfs/dbraw/zinc/39/16/93/388391693.db2.gz CNYAUHPJPRVRSQ-GHMZBOCLSA-N 1 3 227.352 0.347 20 0 BCADHO COc1ccccc1[C@H](N)CNC(=O)CC[NH3+] ZINC000646601049 388393224 /nfs/dbraw/zinc/39/32/24/388393224.db2.gz SAJWCKUXZYFZTO-SNVBAGLBSA-N 1 3 237.303 0.160 20 0 BCADHO NC1(C(=O)N2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000237978644 388400249 /nfs/dbraw/zinc/40/02/49/388400249.db2.gz BISYTNDKQMQWPM-SECBINFHSA-N 1 3 211.309 0.208 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000646650549 388402956 /nfs/dbraw/zinc/40/29/56/388402956.db2.gz BSCOBAOEESLXOT-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000646730866 388441275 /nfs/dbraw/zinc/44/12/75/388441275.db2.gz GOJBNMSEYZUHFH-GHMZBOCLSA-N 1 3 239.363 0.633 20 0 BCADHO C[N@H+](CCCN)C[C@@H]1CCCC[C@@H]1O ZINC000336904831 388442441 /nfs/dbraw/zinc/44/24/41/388442441.db2.gz WLJOBFGDMUATQM-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCCN)C[C@@H]1CCCC[C@@H]1O ZINC000336904831 388442442 /nfs/dbraw/zinc/44/24/42/388442442.db2.gz WLJOBFGDMUATQM-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000394058191 388450269 /nfs/dbraw/zinc/45/02/69/388450269.db2.gz VLDJYCVHYJGMTE-SDDRHHMPSA-N 1 3 214.353 0.968 20 0 BCADHO CCN(CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336698855 388464168 /nfs/dbraw/zinc/46/41/68/388464168.db2.gz WAEPAEUXYWVXLB-LLVKDONJSA-N 1 3 200.326 0.783 20 0 BCADHO CCN(CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336698855 388464170 /nfs/dbraw/zinc/46/41/70/388464170.db2.gz WAEPAEUXYWVXLB-LLVKDONJSA-N 1 3 200.326 0.783 20 0 BCADHO CN(C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134463215 388476523 /nfs/dbraw/zinc/47/65/23/388476523.db2.gz RMIISCDPHVVXGN-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646672792 388411561 /nfs/dbraw/zinc/41/15/61/388411561.db2.gz ONBSIXMGTUPGRV-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CCCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310572401 388485502 /nfs/dbraw/zinc/48/55/02/388485502.db2.gz OMXCEOKZZVFLLQ-TXEJJXNPSA-N 1 3 239.363 0.444 20 0 BCADHO CCOC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310582776 388485746 /nfs/dbraw/zinc/48/57/46/388485746.db2.gz RXRNMYUFOPWZDB-SDDRHHMPSA-N 1 3 240.347 0.869 20 0 BCADHO COC(C)(C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000340251459 388489122 /nfs/dbraw/zinc/48/91/22/388489122.db2.gz QRLBYJXKBWWKEF-NSHDSACASA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@@]1([NH2+]C[C@H](O)CN(C)C(C)C)CCOC1 ZINC000378736175 388490452 /nfs/dbraw/zinc/49/04/52/388490452.db2.gz GGVYBIXAQMQDTM-QWHCGFSZSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000646769959 388493279 /nfs/dbraw/zinc/49/32/79/388493279.db2.gz NPZXQJNSESOAOR-DCAQKATOSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646769929 388493417 /nfs/dbraw/zinc/49/34/17/388493417.db2.gz LHTRWHPMBCRHIW-GARJFASQSA-N 1 3 239.363 0.570 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648931161 388504059 /nfs/dbraw/zinc/50/40/59/388504059.db2.gz PZGGCTJBXQSCDS-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648931161 388504062 /nfs/dbraw/zinc/50/40/62/388504062.db2.gz PZGGCTJBXQSCDS-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)CCO)[C@H](C)C1 ZINC000079462379 388535153 /nfs/dbraw/zinc/53/51/53/388535153.db2.gz BPXTWNGHMULXLK-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)CCO)[C@H](C)C1 ZINC000079462379 388535156 /nfs/dbraw/zinc/53/51/56/388535156.db2.gz BPXTWNGHMULXLK-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N(C)C ZINC000084382473 135216229 /nfs/dbraw/zinc/21/62/29/135216229.db2.gz CXHWMETXOBSHMS-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO Cc1noc(CCN[C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358021493 388553147 /nfs/dbraw/zinc/55/31/47/388553147.db2.gz HPKRINVWULLNNM-KOLCDFICSA-N 1 3 238.335 0.850 20 0 BCADHO Cc1noc(CCN[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000358021493 388553149 /nfs/dbraw/zinc/55/31/49/388553149.db2.gz HPKRINVWULLNNM-KOLCDFICSA-N 1 3 238.335 0.850 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](C)NC ZINC000517585852 388554506 /nfs/dbraw/zinc/55/45/06/388554506.db2.gz INPHKWWXRPEDOB-QMMMGPOBSA-N 1 3 201.314 0.228 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094234 388564235 /nfs/dbraw/zinc/56/42/35/388564235.db2.gz NPGSRABAVLCKOQ-WCABBAIRSA-N 1 3 211.309 0.064 20 0 BCADHO CN(CCCO)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367600334 388565428 /nfs/dbraw/zinc/56/54/28/388565428.db2.gz BRWSBRFUAIDZOI-FOSCPWQOSA-N 1 3 212.337 0.926 20 0 BCADHO CN(CCCO)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367600334 388565429 /nfs/dbraw/zinc/56/54/29/388565429.db2.gz BRWSBRFUAIDZOI-FOSCPWQOSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183576029 388570278 /nfs/dbraw/zinc/57/02/78/388570278.db2.gz PQZYHVPJENPPFM-XQHKEYJVSA-N 1 3 224.348 0.996 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183576029 388570281 /nfs/dbraw/zinc/57/02/81/388570281.db2.gz PQZYHVPJENPPFM-XQHKEYJVSA-N 1 3 224.348 0.996 20 0 BCADHO CCOCCC[N@@H+]1CC[C@H](NCCO)[C@@H](C)C1 ZINC000248035676 388673426 /nfs/dbraw/zinc/67/34/26/388673426.db2.gz RMLLKKOUADGKON-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCOCCC[N@H+]1CC[C@H](NCCO)[C@@H](C)C1 ZINC000248035676 388673427 /nfs/dbraw/zinc/67/34/27/388673427.db2.gz RMLLKKOUADGKON-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000521999030 388673850 /nfs/dbraw/zinc/67/38/50/388673850.db2.gz VPLCNAXDHKJJTG-WDEREUQCSA-N 1 3 227.352 0.476 20 0 BCADHO C(C1CCOCC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000078570870 388682980 /nfs/dbraw/zinc/68/29/80/388682980.db2.gz SLASAZMRKWCCLM-VXGBXAGGSA-N 1 3 210.321 0.564 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000246253350 388626621 /nfs/dbraw/zinc/62/66/21/388626621.db2.gz JSUDFTXQTLKFAK-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000521876362 388638224 /nfs/dbraw/zinc/63/82/24/388638224.db2.gz ZNWHSPDKJKPYFT-MXWKQRLJSA-N 1 3 227.352 0.476 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)[C@@H](C)C1 ZINC000246490056 388639555 /nfs/dbraw/zinc/63/95/55/388639555.db2.gz PFISQAIHJLOXSU-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)[C@@H](C)C1 ZINC000246490056 388639558 /nfs/dbraw/zinc/63/95/58/388639558.db2.gz PFISQAIHJLOXSU-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCOC1(C)C)C1CC1 ZINC000328470465 388643520 /nfs/dbraw/zinc/64/35/20/388643520.db2.gz ZLLYANTYAMAKSZ-NWDGAFQWSA-N 1 3 242.363 0.599 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCOC1(C)C)C1CC1 ZINC000328470465 388643521 /nfs/dbraw/zinc/64/35/21/388643521.db2.gz ZLLYANTYAMAKSZ-NWDGAFQWSA-N 1 3 242.363 0.599 20 0 BCADHO CCN(CC)CC(=O)NCC[NH+](C)C ZINC000194490348 388734124 /nfs/dbraw/zinc/73/41/24/388734124.db2.gz XTIYPVRJGREBME-UHFFFAOYSA-N 1 3 201.314 0.006 20 0 BCADHO C[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000251078802 388744531 /nfs/dbraw/zinc/74/45/31/388744531.db2.gz HABDTNKAVPPOEF-DCAQKATOSA-N 1 3 200.326 0.722 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092004759 388782152 /nfs/dbraw/zinc/78/21/52/388782152.db2.gz YLKAXBFMLBDGEG-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129665469 388862828 /nfs/dbraw/zinc/86/28/28/388862828.db2.gz JPVPTDULKZAAKY-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129665469 388862830 /nfs/dbraw/zinc/86/28/30/388862830.db2.gz JPVPTDULKZAAKY-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000523662592 388849969 /nfs/dbraw/zinc/84/99/69/388849969.db2.gz XBFJLAIMWRXYPZ-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000523662592 388849971 /nfs/dbraw/zinc/84/99/71/388849971.db2.gz XBFJLAIMWRXYPZ-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CC(C)NCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000564586802 388880558 /nfs/dbraw/zinc/88/05/58/388880558.db2.gz SKWRPBSBNTZXOE-ZETCQYMHSA-N 1 3 241.257 0.380 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000564949552 388900620 /nfs/dbraw/zinc/90/06/20/388900620.db2.gz ANEWJLNEPUMBDJ-UTLUCORTSA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000564955385 388901806 /nfs/dbraw/zinc/90/18/06/388901806.db2.gz YUQUSJFBTRAZQR-IVZWLZJFSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000564994149 388906597 /nfs/dbraw/zinc/90/65/97/388906597.db2.gz NNLHJLDZCQHOGT-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000564994149 388906594 /nfs/dbraw/zinc/90/65/94/388906594.db2.gz NNLHJLDZCQHOGT-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565233680 388924863 /nfs/dbraw/zinc/92/48/63/388924863.db2.gz OJNHYPCGUDIDPF-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)C[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565233680 388924866 /nfs/dbraw/zinc/92/48/66/388924866.db2.gz OJNHYPCGUDIDPF-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000565714122 388963300 /nfs/dbraw/zinc/96/33/00/388963300.db2.gz QPIVDNCMSXHCCW-NSHDSACASA-N 1 3 236.319 0.015 20 0 BCADHO CN(C)Cc1ccccc1C(=O)NCC[NH3+] ZINC000565540210 388952694 /nfs/dbraw/zinc/95/26/94/388952694.db2.gz MBDMUVAZBNWRRO-UHFFFAOYSA-N 1 3 221.304 0.437 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000566067897 388985616 /nfs/dbraw/zinc/98/56/16/388985616.db2.gz HPUSULXOBWGAAR-NGZCFLSTSA-N 1 3 225.336 0.371 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC[NH2+]C1CC1 ZINC000041680279 322836400 /nfs/dbraw/zinc/83/64/00/322836400.db2.gz RQZWUNAFCWYLEG-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCC2)CN1C1CC1 ZINC000336213114 134135637 /nfs/dbraw/zinc/13/56/37/134135637.db2.gz CVVVXOIPVGCNDZ-NXEZZACHSA-N 1 3 237.347 0.609 20 0 BCADHO COC(=O)CCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000168557911 134226373 /nfs/dbraw/zinc/22/63/73/134226373.db2.gz PHDPTLVYRZWAPU-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N ZINC000168928926 134248432 /nfs/dbraw/zinc/24/84/32/134248432.db2.gz IYHHZVCEUGEVAL-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N ZINC000168928926 134248433 /nfs/dbraw/zinc/24/84/33/134248433.db2.gz IYHHZVCEUGEVAL-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169031019 134248908 /nfs/dbraw/zinc/24/89/08/134248908.db2.gz VTBDKBMVOKAFRD-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO C[NH2+]CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000219974191 134295885 /nfs/dbraw/zinc/29/58/85/134295885.db2.gz IFAQTJTUTXXUCU-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H](C)N1 ZINC000178409883 134310129 /nfs/dbraw/zinc/31/01/29/134310129.db2.gz CTUAVQKKMACZPN-AOOOYVTPSA-N 1 3 225.336 0.467 20 0 BCADHO CN1CCC(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000178787358 134311144 /nfs/dbraw/zinc/31/11/44/134311144.db2.gz NZTVQCGOEPMKJI-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000178601112 134312240 /nfs/dbraw/zinc/31/22/40/134312240.db2.gz DXFSPXLMRBIZGY-MWLCHTKSSA-N 1 3 241.379 0.946 20 0 BCADHO CCCN(C(=O)[C@@]1(F)CCNC1)[C@@H]1CC[NH2+]C1 ZINC000178936467 134313730 /nfs/dbraw/zinc/31/37/30/134313730.db2.gz TZSXOGIPZKAYEV-ZYHUDNBSSA-N 1 3 243.326 0.289 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC)[C@H](C)C1 ZINC000178814062 134315440 /nfs/dbraw/zinc/31/54/40/134315440.db2.gz JECQIJLBTFMYMS-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC)[C@H](C)C1 ZINC000178814062 134315441 /nfs/dbraw/zinc/31/54/41/134315441.db2.gz JECQIJLBTFMYMS-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000178817788 134315631 /nfs/dbraw/zinc/31/56/31/134315631.db2.gz OPVHUGYVEFBHED-IUCAKERBSA-N 1 3 215.341 0.426 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)CN)C1 ZINC000178834588 134315746 /nfs/dbraw/zinc/31/57/46/134315746.db2.gz XFKCPCACBROLIH-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN)C1 ZINC000178834588 134315747 /nfs/dbraw/zinc/31/57/47/134315747.db2.gz XFKCPCACBROLIH-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CCC[NH3+])CN1C1CC1 ZINC000178867489 134316071 /nfs/dbraw/zinc/31/60/71/134316071.db2.gz KDNRQSQPUVZHGU-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179123277 134317805 /nfs/dbraw/zinc/31/78/05/134317805.db2.gz FBJBAKHHXZUXHO-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185174579 134372208 /nfs/dbraw/zinc/37/22/08/134372208.db2.gz WEXQVIXYAIJQQY-ZRUFSTJUSA-N 1 3 239.363 0.556 20 0 BCADHO CCOC(=O)C[C@@H](C)N(C)CCC[NH3+] ZINC000227747485 134392215 /nfs/dbraw/zinc/39/22/15/134392215.db2.gz DJMFCLUBVBEXPZ-SECBINFHSA-N 1 3 202.298 0.609 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973201 134463829 /nfs/dbraw/zinc/46/38/29/134463829.db2.gz HIUVRCMQLZLMNT-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973203 134464273 /nfs/dbraw/zinc/46/42/73/134464273.db2.gz VWGRGQKDTGHGSC-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000131832787 134634562 /nfs/dbraw/zinc/63/45/62/134634562.db2.gz TZDXQZLDYPOZOJ-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO NC1(C(=O)N2CCC(C[NH3+])CC2)CCCC1 ZINC000238023714 134848558 /nfs/dbraw/zinc/84/85/58/134848558.db2.gz ULRSEOPQAZGXPG-UHFFFAOYSA-N 1 3 225.336 0.455 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248665507 135018663 /nfs/dbraw/zinc/01/86/63/135018663.db2.gz WEXQVIXYAIJQQY-UKKRHICBSA-N 1 3 239.363 0.556 20 0 BCADHO CN(C)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250358577 135052645 /nfs/dbraw/zinc/05/26/45/135052645.db2.gz QZXGXEBDDLRJKD-RYUDHWBXSA-N 1 3 211.353 0.764 20 0 BCADHO CN(C)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250358577 135052648 /nfs/dbraw/zinc/05/26/48/135052648.db2.gz QZXGXEBDDLRJKD-RYUDHWBXSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H](CO)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251072337 135062200 /nfs/dbraw/zinc/06/22/00/135062200.db2.gz FSORNWBJNQZQAA-TUAOUCFPSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](CO)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251072337 135062203 /nfs/dbraw/zinc/06/22/03/135062203.db2.gz FSORNWBJNQZQAA-TUAOUCFPSA-N 1 3 212.337 0.831 20 0 BCADHO COC(=O)CCC[N@H+](C)CC(C)(C)CN ZINC000086638426 135092037 /nfs/dbraw/zinc/09/20/37/135092037.db2.gz IJLKTEVGOYNHEV-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO COC(=O)CCC[N@@H+](C)CC(C)(C)CN ZINC000086638426 135092039 /nfs/dbraw/zinc/09/20/39/135092039.db2.gz IJLKTEVGOYNHEV-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CCC[C@H](C)C1 ZINC000261774734 135111248 /nfs/dbraw/zinc/11/12/48/135111248.db2.gz JBNYFUXCLHTDOX-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO c1cn(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000252856006 135114134 /nfs/dbraw/zinc/11/41/34/135114134.db2.gz KNMWYYHRIHHEKP-STQMWFEESA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000252856006 135114135 /nfs/dbraw/zinc/11/41/35/135114135.db2.gz KNMWYYHRIHHEKP-STQMWFEESA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCC[NH2+][C@H]2CCN3CCC[C@H]3C2)nn1 ZINC000252856006 135114136 /nfs/dbraw/zinc/11/41/36/135114136.db2.gz KNMWYYHRIHHEKP-STQMWFEESA-N 1 3 249.362 0.885 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000253151490 135121792 /nfs/dbraw/zinc/12/17/92/135121792.db2.gz HKVUWSRFEIZSCX-IJLUTSLNSA-N 1 3 241.379 0.831 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000261137001 135149664 /nfs/dbraw/zinc/14/96/64/135149664.db2.gz MUSKSKARQUYYDX-JTQLQIEISA-N 1 3 214.309 0.433 20 0 BCADHO COCC(C)(C)C[N@@H+]1CC[C@@H](CN)C1 ZINC000261529131 135154771 /nfs/dbraw/zinc/15/47/71/135154771.db2.gz PHIVIBVAJKLZLG-JTQLQIEISA-N 1 3 200.326 0.940 20 0 BCADHO COCC(C)(C)C[N@H+]1CC[C@@H](CN)C1 ZINC000261529131 135154773 /nfs/dbraw/zinc/15/47/73/135154773.db2.gz PHIVIBVAJKLZLG-JTQLQIEISA-N 1 3 200.326 0.940 20 0 BCADHO COCC(C)(C)CN1CC[C@@H](C[NH3+])C1 ZINC000261529131 135154774 /nfs/dbraw/zinc/15/47/74/135154774.db2.gz PHIVIBVAJKLZLG-JTQLQIEISA-N 1 3 200.326 0.940 20 0 BCADHO CN1CCN(CC[NH3+])C2(CCCCC2)C1 ZINC000261530837 135159031 /nfs/dbraw/zinc/15/90/31/135159031.db2.gz DGQMWUKQTDHTPP-UHFFFAOYSA-N 1 3 211.353 0.895 20 0 BCADHO CC(C)[C@](C)(CN)[NH2+]Cc1cncn1C ZINC000261531581 135160700 /nfs/dbraw/zinc/16/07/00/135160700.db2.gz HEAPGEDDDNWJIJ-NSHDSACASA-N 1 3 210.325 0.883 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCNC1 ZINC000087647880 135161392 /nfs/dbraw/zinc/16/13/92/135161392.db2.gz CIMGCWGBTFIFHF-ACJTYDJDSA-N 1 3 224.348 0.974 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCNC1 ZINC000087647880 135161393 /nfs/dbraw/zinc/16/13/93/135161393.db2.gz CIMGCWGBTFIFHF-ACJTYDJDSA-N 1 3 224.348 0.974 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[NH2+]C1 ZINC000087647880 135161394 /nfs/dbraw/zinc/16/13/94/135161394.db2.gz CIMGCWGBTFIFHF-ACJTYDJDSA-N 1 3 224.348 0.974 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)NCC[NH3+] ZINC000261531879 135161890 /nfs/dbraw/zinc/16/18/90/135161890.db2.gz IEWIXRGKMKUZTF-SNVBAGLBSA-N 1 3 213.325 0.359 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@H]1CCC[NH2+]C1 ZINC000261535263 135169678 /nfs/dbraw/zinc/16/96/78/135169678.db2.gz XKSMTIDRQDKNKH-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCCNC1 ZINC000261535263 135169679 /nfs/dbraw/zinc/16/96/79/135169679.db2.gz XKSMTIDRQDKNKH-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCCNC1 ZINC000261535263 135169680 /nfs/dbraw/zinc/16/96/80/135169680.db2.gz XKSMTIDRQDKNKH-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261541068 135181123 /nfs/dbraw/zinc/18/11/23/135181123.db2.gz JECWZALUGMHDSD-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261541068 135181124 /nfs/dbraw/zinc/18/11/24/135181124.db2.gz JECWZALUGMHDSD-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261541068 135181126 /nfs/dbraw/zinc/18/11/26/135181126.db2.gz JECWZALUGMHDSD-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261550815 135190031 /nfs/dbraw/zinc/19/00/31/135190031.db2.gz PSSIZZBJPDSDNC-GUBZILKMSA-N 1 3 213.325 0.051 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000084186728 135191137 /nfs/dbraw/zinc/19/11/37/135191137.db2.gz IXXIJXVLMDGPRA-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO O[C@@H](CN[C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972519 135209783 /nfs/dbraw/zinc/20/97/83/135209783.db2.gz CMUBTVBVNLEORX-RYUDHWBXSA-N 1 3 244.404 0.928 20 0 BCADHO C[C@H](C(=O)N1CCN2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000164227749 135216967 /nfs/dbraw/zinc/21/69/67/135216967.db2.gz QAKWGDWYLJOSCB-CMPLNLGQSA-N 1 3 237.347 0.149 20 0 BCADHO CCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000261581681 135222686 /nfs/dbraw/zinc/22/26/86/135222686.db2.gz NQFAETAVYSFMNH-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CN1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000261584549 135226140 /nfs/dbraw/zinc/22/61/40/135226140.db2.gz PXXUYJCUVGVEAK-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO COC(=O)[C@@H]1CC[N@H+](CC(C)(C)N)[C@@H]1C ZINC000261587033 135228480 /nfs/dbraw/zinc/22/84/80/135228480.db2.gz ROIRNQGLVYZCBK-RKDXNWHRSA-N 1 3 214.309 0.607 20 0 BCADHO COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)N)[C@@H]1C ZINC000261587033 135228481 /nfs/dbraw/zinc/22/84/81/135228481.db2.gz ROIRNQGLVYZCBK-RKDXNWHRSA-N 1 3 214.309 0.607 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000261598381 135236483 /nfs/dbraw/zinc/23/64/83/135236483.db2.gz ZLNREVROHMXUPI-QCLAVDOMSA-N 1 3 213.325 0.226 20 0 BCADHO CCC[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000261599129 135237361 /nfs/dbraw/zinc/23/73/61/135237361.db2.gz ATUNUFHETYLTRZ-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000261547763 135240923 /nfs/dbraw/zinc/24/09/23/135240923.db2.gz MSJKLBRGOSXPHI-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000261616852 135244696 /nfs/dbraw/zinc/24/46/96/135244696.db2.gz BBFURUKTFRNXLX-SNVBAGLBSA-N 1 3 225.336 0.598 20 0 BCADHO C[C@@]1(CN2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687603 135246056 /nfs/dbraw/zinc/24/60/56/135246056.db2.gz AQLOHXXXPTZXNY-CMPLNLGQSA-N 1 3 225.336 0.183 20 0 BCADHO CCN(CC1CC[NH2+]CC1)[C@@H]1CCNC1=O ZINC000261729077 135248574 /nfs/dbraw/zinc/24/85/74/135248574.db2.gz KCTNTJCKSALJKJ-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2(N)CC2)C1 ZINC000084419980 135248700 /nfs/dbraw/zinc/24/87/00/135248700.db2.gz AWQJLNPUTSJLIW-SECBINFHSA-N 1 3 211.309 0.030 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000084420062 135249429 /nfs/dbraw/zinc/24/94/29/135249429.db2.gz MCYDCWWCGNXKGF-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCC[C@H](C)C1 ZINC000261774736 135251954 /nfs/dbraw/zinc/25/19/54/135251954.db2.gz JBNYFUXCLHTDOX-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000261830885 135256454 /nfs/dbraw/zinc/25/64/54/135256454.db2.gz NDMSVVJZWIYGER-DCAQKATOSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000261882549 135259657 /nfs/dbraw/zinc/25/96/57/135259657.db2.gz RXUCZJRICWACDQ-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@]1(CN2CC[C@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880736 135259705 /nfs/dbraw/zinc/25/97/05/135259705.db2.gz QVNVSAPOYJOOKP-OLZOCXBDSA-N 1 3 237.347 0.198 20 0 BCADHO C[C@H]1NCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1C ZINC000261890818 135260965 /nfs/dbraw/zinc/26/09/65/135260965.db2.gz VDNATQLNZIQSBR-WISYIIOYSA-N 1 3 239.363 0.713 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261909731 135261721 /nfs/dbraw/zinc/26/17/21/135261721.db2.gz GKRUBNJKGRRDBJ-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261923078 135263212 /nfs/dbraw/zinc/26/32/12/135263212.db2.gz IUYHBGQZXGIHAT-SCVCMEIPSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@]1(CN2CCC[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075432 135277541 /nfs/dbraw/zinc/27/75/41/135277541.db2.gz SODZOHCUBWVQPD-WCQYABFASA-N 1 3 239.363 0.573 20 0 BCADHO [NH3+]CCOCCN1CCN(C2CCC2)CC1 ZINC000262116387 135279673 /nfs/dbraw/zinc/27/96/73/135279673.db2.gz BMLOFEAJZNZFHR-UHFFFAOYSA-N 1 3 227.352 0.132 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2C[NH2+]C2)CCN1C ZINC000262266000 135288628 /nfs/dbraw/zinc/28/86/28/135288628.db2.gz SAZXZARKUQTRNP-KOLCDFICSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C2C[NH2+]C2)CCN1C ZINC000262266001 135288950 /nfs/dbraw/zinc/28/89/50/135288950.db2.gz SAZXZARKUQTRNP-MWLCHTKSSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCCC[C@@H]1C ZINC000262338327 135294045 /nfs/dbraw/zinc/29/40/45/135294045.db2.gz HOMLMPPIGYMTLL-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)NCCN(C)C)CC[N@@H+]1C ZINC000342637659 135299358 /nfs/dbraw/zinc/29/93/58/135299358.db2.gz BQOJZUOKZTZBHW-MNOVXSKESA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)NCCN(C)C)CC[N@H+]1C ZINC000342637659 135299359 /nfs/dbraw/zinc/29/93/59/135299359.db2.gz BQOJZUOKZTZBHW-MNOVXSKESA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000262543955 135305417 /nfs/dbraw/zinc/30/54/17/135305417.db2.gz YNCVCFFLPPRNBW-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000262582702 135307155 /nfs/dbraw/zinc/30/71/55/135307155.db2.gz QMJSPNDDDIDYFR-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000262585314 135307208 /nfs/dbraw/zinc/30/72/08/135307208.db2.gz UNAUWSQHETZEQT-VXGBXAGGSA-N 1 3 241.379 0.641 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CC(C)C ZINC000262596521 135307990 /nfs/dbraw/zinc/30/79/90/135307990.db2.gz KZWFCRYUTXMTPR-QWRGUYRKSA-N 1 3 229.368 0.994 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000262611958 135308905 /nfs/dbraw/zinc/30/89/05/135308905.db2.gz FBHBDHOBOYIPFV-MMWGEVLESA-N 1 3 227.352 0.603 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342721117 135314361 /nfs/dbraw/zinc/31/43/61/135314361.db2.gz SPPSKXSWYLMGPP-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262715797 135315316 /nfs/dbraw/zinc/31/53/16/135315316.db2.gz DMZRHXNASMFXSX-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H]1NCCN(C(=O)C[NH2+]CC2CC2)[C@@H]1C ZINC000262779801 135318250 /nfs/dbraw/zinc/31/82/50/135318250.db2.gz LGUZXGMRDYXBRR-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000262923495 135324394 /nfs/dbraw/zinc/32/43/94/135324394.db2.gz ZOIWBRLJZLNQRJ-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])N(C)C ZINC000262953517 135324765 /nfs/dbraw/zinc/32/47/65/135324765.db2.gz JZYDACWBYOXEAO-NQBHXWOUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C(N)=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079492115 135327192 /nfs/dbraw/zinc/32/71/92/135327192.db2.gz VCMNWANZVICRFM-SNVBAGLBSA-N 1 3 227.352 0.524 20 0 BCADHO C[NH2+]CCN(C)C(=O)C1CCN(C)CC1 ZINC000263241486 135341761 /nfs/dbraw/zinc/34/17/61/135341761.db2.gz LLMXSQJMYSSUSN-UHFFFAOYSA-N 1 3 213.325 0.006 20 0 BCADHO NC1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CCCC1 ZINC000334382205 135380727 /nfs/dbraw/zinc/38/07/27/135380727.db2.gz KEVRNNDMAMCTIM-NSHDSACASA-N 1 3 239.363 0.845 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000334410779 135392369 /nfs/dbraw/zinc/39/23/69/135392369.db2.gz MVSUEZJYNOCLQO-PWSUYJOCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(N)CCCC1 ZINC000335327683 136052520 /nfs/dbraw/zinc/05/25/20/136052520.db2.gz JRPDIKWXGBPFNA-ZJUUUORDSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)N ZINC000335346678 136066575 /nfs/dbraw/zinc/06/65/75/136066575.db2.gz UECSLNILOMBOTN-VHSXEESVSA-N 1 3 227.352 0.522 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000335347057 136067128 /nfs/dbraw/zinc/06/71/28/136067128.db2.gz QYVCVBGXKPVPEM-ZJUUUORDSA-N 1 3 225.336 0.502 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)NCC(C)(C)[NH3+])C1 ZINC000335354879 136071086 /nfs/dbraw/zinc/07/10/86/136071086.db2.gz BYRPNTGKPXFQCN-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC(C)(C)[NH3+] ZINC000335361647 136080821 /nfs/dbraw/zinc/08/08/21/136080821.db2.gz UCDWFLLPGSWDLW-DTWKUNHWSA-N 1 3 228.340 0.116 20 0 BCADHO CN(CC[NH3+])C(=O)[C@@H]1CNCc2ccccc21 ZINC000335402052 136087412 /nfs/dbraw/zinc/08/74/12/136087412.db2.gz YMHCDYBZDCRAAR-GFCCVEGCSA-N 1 3 233.315 0.291 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000335387817 136089777 /nfs/dbraw/zinc/08/97/77/136089777.db2.gz UKMCQWXKOCPQGW-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)CN)CC1 ZINC000335393390 136091900 /nfs/dbraw/zinc/09/19/00/136091900.db2.gz CGQKJJLTVDFMBL-LLVKDONJSA-N 1 3 225.336 0.182 20 0 BCADHO NCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000335395184 136092280 /nfs/dbraw/zinc/09/22/80/136092280.db2.gz KBRGDUWNGHIQRU-WDEREUQCSA-N 1 3 237.278 0.038 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CNCc2ccccc21 ZINC000335399193 136093917 /nfs/dbraw/zinc/09/39/17/136093917.db2.gz MVILJSDUSZDTMH-DGCLKSJQSA-N 1 3 245.326 0.352 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554048 136098690 /nfs/dbraw/zinc/09/86/90/136098690.db2.gz AGXRNHOPAMAFPI-MWLCHTKSSA-N 1 3 237.347 0.195 20 0 BCADHO CC1(C)CN(C(=O)[C@H]([NH3+])CC(F)F)CCN1 ZINC000335599285 136113946 /nfs/dbraw/zinc/11/39/46/136113946.db2.gz SXPCTNVSUJQOGT-SSDOTTSWSA-N 1 3 235.278 0.179 20 0 BCADHO CN(CCNC(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000264670065 397922032 /nfs/dbraw/zinc/92/20/32/397922032.db2.gz YDWRCUQPQINQEW-SNAWJCMRSA-N 1 3 225.336 0.315 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000418202186 397992093 /nfs/dbraw/zinc/99/20/93/397992093.db2.gz IQXFQWRIVDZFDN-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CC[N@H+](CCCNC)C[C@H]1CCOC1 ZINC000389910197 397997914 /nfs/dbraw/zinc/99/79/14/397997914.db2.gz ITQVCVBRRLLSKH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CC[N@@H+](CCCNC)C[C@H]1CCOC1 ZINC000389910197 397997920 /nfs/dbraw/zinc/99/79/20/397997920.db2.gz ITQVCVBRRLLSKH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CCN(CCC[NH2+]C)C[C@H]1CCOC1 ZINC000389910197 397997923 /nfs/dbraw/zinc/99/79/23/397997923.db2.gz ITQVCVBRRLLSKH-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953195 398010554 /nfs/dbraw/zinc/01/05/54/398010554.db2.gz HXUDMWLNGLACRR-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH2+]CCCNC(=O)Cc1nc[nH]c1C ZINC000637809974 398023623 /nfs/dbraw/zinc/02/36/23/398023623.db2.gz YYSAGDYNAYSSBL-UHFFFAOYSA-N 1 3 224.308 0.376 20 0 BCADHO C[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000083911658 398036707 /nfs/dbraw/zinc/03/67/07/398036707.db2.gz JGULSFBKHUQREA-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CN[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000582676817 398041675 /nfs/dbraw/zinc/04/16/75/398041675.db2.gz KQISDXXEQWBGHC-NXEZZACHSA-N 1 3 213.325 0.100 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398807690 398062979 /nfs/dbraw/zinc/06/29/79/398062979.db2.gz OKVXHEDPJLENCE-AVGNSLFASA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)C[C@H](CO)C1 ZINC000398807690 398062986 /nfs/dbraw/zinc/06/29/86/398062986.db2.gz OKVXHEDPJLENCE-AVGNSLFASA-N 1 3 244.379 0.249 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000384071700 398064854 /nfs/dbraw/zinc/06/48/54/398064854.db2.gz VKNDFBBUWWRYIL-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CC[N@H+](CCNC(=O)/C=C/CN(C)C)C(C)C ZINC000491853676 398075550 /nfs/dbraw/zinc/07/55/50/398075550.db2.gz VVZUAUCIUAQZTK-BQYQJAHWSA-N 1 3 241.379 0.951 20 0 BCADHO CC[N@@H+](CCNC(=O)/C=C/CN(C)C)C(C)C ZINC000491853676 398075553 /nfs/dbraw/zinc/07/55/53/398075553.db2.gz VVZUAUCIUAQZTK-BQYQJAHWSA-N 1 3 241.379 0.951 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)/C=C\CN(C)C)CC[N@@H+]1C ZINC000491904977 398076889 /nfs/dbraw/zinc/07/68/89/398076889.db2.gz NAZOTLITDZQCFA-GKKDLHFNSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)/C=C\CN(C)C)CC[N@H+]1C ZINC000491904977 398076892 /nfs/dbraw/zinc/07/68/92/398076892.db2.gz NAZOTLITDZQCFA-GKKDLHFNSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000309294898 398119020 /nfs/dbraw/zinc/11/90/20/398119020.db2.gz WYKHOPFGQNAUQQ-GXSJLCMTSA-N 1 3 225.336 0.276 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)C(C)(C)N ZINC000083357038 398109755 /nfs/dbraw/zinc/10/97/55/398109755.db2.gz YODNJZAGXQDMLJ-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H](N)CCC(C)C ZINC000638512257 398111565 /nfs/dbraw/zinc/11/15/65/398111565.db2.gz HVTFWLQIAXNDPJ-SNVBAGLBSA-N 1 3 215.341 0.557 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019474250 398130585 /nfs/dbraw/zinc/13/05/85/398130585.db2.gz JIYVUENINBJGSG-SNVBAGLBSA-N 1 3 229.368 0.674 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000040768297 167096863 /nfs/dbraw/zinc/09/68/63/167096863.db2.gz QNZCHWNPRJBXKO-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCCN(C)CC1 ZINC000037480122 167099679 /nfs/dbraw/zinc/09/96/79/167099679.db2.gz NSURADWMKUPITA-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO [NH3+]C[C@@H](NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000662276153 487529309 /nfs/dbraw/zinc/52/93/09/487529309.db2.gz FXCNYIUMQMSNCG-QWHCGFSZSA-N 1 3 241.379 0.472 20 0 BCADHO [NH3+]C[C@H](NC[C@@H]1CNCCO1)C1CCCCC1 ZINC000662276154 487529448 /nfs/dbraw/zinc/52/94/48/487529448.db2.gz FXCNYIUMQMSNCG-STQMWFEESA-N 1 3 241.379 0.472 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000037609837 487560212 /nfs/dbraw/zinc/56/02/12/487560212.db2.gz PAZIFDCNUBBRAR-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCN1CCOCC1 ZINC000405301258 487568981 /nfs/dbraw/zinc/56/89/81/487568981.db2.gz IPVXSHWBBLAMED-QWRGUYRKSA-N 1 3 227.352 0.034 20 0 BCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCN1CCOCC1 ZINC000405301258 487568987 /nfs/dbraw/zinc/56/89/87/487568987.db2.gz IPVXSHWBBLAMED-QWRGUYRKSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000086853121 487569978 /nfs/dbraw/zinc/56/99/78/487569978.db2.gz GFPQOIYXVNKUQC-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO C[C@H]1CN(C(=O)CC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000393768867 487580039 /nfs/dbraw/zinc/58/00/39/487580039.db2.gz DJEIIWQQMMDNBJ-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO CN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000393829889 487587535 /nfs/dbraw/zinc/58/75/35/487587535.db2.gz KXKQEGLFNZSMJO-GVXVVHGQSA-N 1 3 237.347 0.278 20 0 BCADHO CN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000393829889 487587537 /nfs/dbraw/zinc/58/75/37/487587537.db2.gz KXKQEGLFNZSMJO-GVXVVHGQSA-N 1 3 237.347 0.278 20 0 BCADHO CN1CC[C@H](N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000393829889 487587539 /nfs/dbraw/zinc/58/75/39/487587539.db2.gz KXKQEGLFNZSMJO-GVXVVHGQSA-N 1 3 237.347 0.278 20 0 BCADHO C[NH2+]CC1CCN(C(=O)CNC(C)C)CC1 ZINC000662414143 487603164 /nfs/dbraw/zinc/60/31/64/487603164.db2.gz OESUXTLKCPMSJC-UHFFFAOYSA-N 1 3 227.352 0.442 20 0 BCADHO CC[NH+](CC)CCOCCNCc1cn[nH]c1 ZINC000680483115 487605423 /nfs/dbraw/zinc/60/54/23/487605423.db2.gz FLTNUKPMWWOXFX-UHFFFAOYSA-N 1 3 240.351 0.858 20 0 BCADHO COC[C@H](CN1CCCC[C@H]1CC[NH3+])OC ZINC000662272858 409578575 /nfs/dbraw/zinc/57/85/75/409578575.db2.gz JLVUFVMEWAWHHN-RYUDHWBXSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](C[N@@H+]1CCCC[C@H]1CCN)OC ZINC000662272858 409578581 /nfs/dbraw/zinc/57/85/81/409578581.db2.gz JLVUFVMEWAWHHN-RYUDHWBXSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](C[N@H+]1CCCC[C@H]1CCN)OC ZINC000662272858 409578587 /nfs/dbraw/zinc/57/85/87/409578587.db2.gz JLVUFVMEWAWHHN-RYUDHWBXSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)OC ZINC000662283078 409606405 /nfs/dbraw/zinc/60/64/05/409606405.db2.gz KJJLTYBDXCKJIM-RNJOBUHISA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C)OC ZINC000662283078 409606409 /nfs/dbraw/zinc/60/64/09/409606409.db2.gz KJJLTYBDXCKJIM-RNJOBUHISA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C)OC ZINC000662283078 409606416 /nfs/dbraw/zinc/60/64/16/409606416.db2.gz KJJLTYBDXCKJIM-RNJOBUHISA-N 1 3 244.379 0.953 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662393428 409695166 /nfs/dbraw/zinc/69/51/66/409695166.db2.gz GCVREQHLEUKCKH-SNVBAGLBSA-N 1 3 231.299 0.463 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000662421532 409705193 /nfs/dbraw/zinc/70/51/93/409705193.db2.gz FGTMOLGAUNKKHC-IVZWLZJFSA-N 1 3 213.325 0.228 20 0 BCADHO [NH3+][C@H](CNC(=O)c1cccc2c1CNC2)C1CC1 ZINC000662550964 409752651 /nfs/dbraw/zinc/75/26/51/409752651.db2.gz MQDBDJJBBCWXOP-CYBMUJFWSA-N 1 3 245.326 0.757 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](CN)c1ccccc1 ZINC000662605788 409780070 /nfs/dbraw/zinc/78/00/70/409780070.db2.gz SFPSHYJFDPIHIA-LBPRGKRZSA-N 1 3 249.358 0.925 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H](CN)c1ccccc1 ZINC000662605785 409780308 /nfs/dbraw/zinc/78/03/08/409780308.db2.gz SFPSHYJFDPIHIA-GFCCVEGCSA-N 1 3 249.358 0.925 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653135753 409854753 /nfs/dbraw/zinc/85/47/53/409854753.db2.gz OSIRMDWUWFOSHU-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000662703905 409853865 /nfs/dbraw/zinc/85/38/65/409853865.db2.gz QBWIZFGYHUQASL-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662782354 409912478 /nfs/dbraw/zinc/91/24/78/409912478.db2.gz JCCRSXCLAWHECK-BDAKNGLRSA-N 1 3 225.336 0.500 20 0 BCADHO C[NH2+]CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662839039 409946430 /nfs/dbraw/zinc/94/64/30/409946430.db2.gz OUTFAHLIQAWXCU-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000662969195 409998074 /nfs/dbraw/zinc/99/80/74/409998074.db2.gz YLVJPSCLUGVIFM-LPEHRKFASA-N 1 3 213.325 0.099 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662968870 409999038 /nfs/dbraw/zinc/99/90/38/409999038.db2.gz KUMRKSPFPPRDJV-GXFFZTMASA-N 1 3 247.342 0.945 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)N ZINC000653175938 410152680 /nfs/dbraw/zinc/15/26/80/410152680.db2.gz GODGEKCFCMJHAO-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)N ZINC000653175938 410152687 /nfs/dbraw/zinc/15/26/87/410152687.db2.gz GODGEKCFCMJHAO-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO CN[C@@H](C)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000655412779 410215872 /nfs/dbraw/zinc/21/58/72/410215872.db2.gz ZMGKCDUUADYQLD-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653197961 410160294 /nfs/dbraw/zinc/16/02/94/410160294.db2.gz BRMHAEAUHTYABS-CABZTGNLSA-N 1 3 225.336 0.311 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653193841 410160709 /nfs/dbraw/zinc/16/07/09/410160709.db2.gz JQRMCMGHPHBNMA-LOWVWBTDSA-N 1 3 239.363 0.557 20 0 BCADHO C[NH2+]Cc1ccccc1CNC(=O)[C@@H](C)N ZINC000653210740 410166066 /nfs/dbraw/zinc/16/60/66/410166066.db2.gz GRKOYYPQLRWHSU-SECBINFHSA-N 1 3 221.304 0.369 20 0 BCADHO CC(C)N(C)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221066 410168940 /nfs/dbraw/zinc/16/89/40/410168940.db2.gz GEYHHDXUVQWXLA-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO NC(C(=O)NCCC1(C[NH3+])CC1)C(F)(F)F ZINC000653221027 410169693 /nfs/dbraw/zinc/16/96/93/410169693.db2.gz DOJYNFCWMLXFPV-LURJTMIESA-N 1 3 239.241 0.121 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232800 410175092 /nfs/dbraw/zinc/17/50/92/410175092.db2.gz JWCVZVQRSFTVBU-GARJFASQSA-N 1 3 227.352 0.700 20 0 BCADHO CCN1CCC(N(C)C(=O)C[C@H](C)[NH3+])CC1 ZINC000037476345 410177146 /nfs/dbraw/zinc/17/71/46/410177146.db2.gz XGFDAODXIPSZCI-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000308974823 410192181 /nfs/dbraw/zinc/19/21/81/410192181.db2.gz GHLLRDLYWAUOMW-BDAKNGLRSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000309198668 410268947 /nfs/dbraw/zinc/26/89/47/410268947.db2.gz BAMXDZCALAOIIB-NWDGAFQWSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CC[C@H](C)O ZINC000309198668 410268955 /nfs/dbraw/zinc/26/89/55/410268955.db2.gz BAMXDZCALAOIIB-NWDGAFQWSA-N 1 3 232.368 0.390 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)N(C)C ZINC000655445984 410269660 /nfs/dbraw/zinc/26/96/60/410269660.db2.gz WJVSGEPOIIWKLR-MDZLAQPJSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CC[C@H](C)O ZINC000309198669 410269791 /nfs/dbraw/zinc/26/97/91/410269791.db2.gz BAMXDZCALAOIIB-RYUDHWBXSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CC[C@H](C)O ZINC000309198669 410269795 /nfs/dbraw/zinc/26/97/95/410269795.db2.gz BAMXDZCALAOIIB-RYUDHWBXSA-N 1 3 232.368 0.390 20 0 BCADHO CCN(CC)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653271650 410535607 /nfs/dbraw/zinc/53/56/07/410535607.db2.gz DBIRKUTVNLBWKI-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CN(CC[NH+]1CCCCC1)C(=O)C1(N)CC1 ZINC000653274648 410555148 /nfs/dbraw/zinc/55/51/48/410555148.db2.gz LKURBTGUUOIHAE-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO CN(CCN1CCCCC1)C(=O)CCC[NH3+] ZINC000653275243 410556922 /nfs/dbraw/zinc/55/69/22/410556922.db2.gz ZYBHGBWNHVDCGQ-UHFFFAOYSA-N 1 3 227.352 0.670 20 0 BCADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000130861188 169763780 /nfs/dbraw/zinc/76/37/80/169763780.db2.gz PLTSXNXVWZSAHO-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000665235369 410727103 /nfs/dbraw/zinc/72/71/03/410727103.db2.gz VAIIPUAZRAPBOV-YVECIDJPSA-N 1 3 242.363 0.897 20 0 BCADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCOC1 ZINC000665235366 410727545 /nfs/dbraw/zinc/72/75/45/410727545.db2.gz VAIIPUAZRAPBOV-FDYHWXHSSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665248838 410731801 /nfs/dbraw/zinc/73/18/01/410731801.db2.gz DGASLIZPQNULPE-MNOVXSKESA-N 1 3 211.353 0.798 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665248838 410731807 /nfs/dbraw/zinc/73/18/07/410731807.db2.gz DGASLIZPQNULPE-MNOVXSKESA-N 1 3 211.353 0.798 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000655483141 410739843 /nfs/dbraw/zinc/73/98/43/410739843.db2.gz TWZHUQZDTQAFPL-UWVGGRQHSA-N 1 3 225.336 0.385 20 0 BCADHO CCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000665273899 410744046 /nfs/dbraw/zinc/74/40/46/410744046.db2.gz GKBULXNFVUWTKJ-SRVKXCTJSA-N 1 3 211.353 0.940 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000655484454 410751919 /nfs/dbraw/zinc/75/19/19/410751919.db2.gz SKACPBBRMDEDQA-NHCYSSNCSA-N 1 3 225.336 0.182 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000655489445 410798786 /nfs/dbraw/zinc/79/87/86/410798786.db2.gz SAUFRDNMWXEEDZ-ADEWGFFLSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000655488567 410799064 /nfs/dbraw/zinc/79/90/64/410799064.db2.gz CNJVDVTUJWTQJQ-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396460139 410885632 /nfs/dbraw/zinc/88/56/32/410885632.db2.gz MEMYSBPDXQQOKJ-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396460580 410886028 /nfs/dbraw/zinc/88/60/28/410886028.db2.gz MEMYSBPDXQQOKJ-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396446570 410883801 /nfs/dbraw/zinc/88/38/01/410883801.db2.gz CTPSTJWCSQATQB-ZYHUDNBSSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@@H](C)N1CCCCC1 ZINC000038029518 167096657 /nfs/dbraw/zinc/09/66/57/167096657.db2.gz OLGYKMNTDRPORR-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)NCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367462097 167107604 /nfs/dbraw/zinc/10/76/04/167107604.db2.gz CUDOTFZGOCTKHS-WCQYABFASA-N 1 3 239.363 0.631 20 0 BCADHO CC(C)[C@@H](C(=O)NCCCC[NH3+])N(C)C ZINC000236710912 167343239 /nfs/dbraw/zinc/34/32/39/167343239.db2.gz NCDIPTMZANEZAU-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N(C)C ZINC000368199269 167343363 /nfs/dbraw/zinc/34/33/63/167343363.db2.gz FPJFBPPQNJPLMG-DCAQKATOSA-N 1 3 245.342 0.389 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309397142 411162899 /nfs/dbraw/zinc/16/28/99/411162899.db2.gz GSDSQRMFABLDNI-ONGXEEELSA-N 1 3 213.325 0.311 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC([NH3+])CC1 ZINC000309399038 411163013 /nfs/dbraw/zinc/16/30/13/411163013.db2.gz HCSRUPPYXZJHGV-NSHDSACASA-N 1 3 213.325 0.454 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538985 411137525 /nfs/dbraw/zinc/13/75/25/411137525.db2.gz WRYCAMYTUFDAMG-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538985 411137526 /nfs/dbraw/zinc/13/75/26/411137526.db2.gz WRYCAMYTUFDAMG-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000651939391 411155678 /nfs/dbraw/zinc/15/56/78/411155678.db2.gz DRVICHOOIYLWGY-WYUUTHIRSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000651939391 411155682 /nfs/dbraw/zinc/15/56/82/411155682.db2.gz DRVICHOOIYLWGY-WYUUTHIRSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000651939389 411155995 /nfs/dbraw/zinc/15/59/95/411155995.db2.gz DRVICHOOIYLWGY-NNYUYHANSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000651939389 411155999 /nfs/dbraw/zinc/15/59/99/411155999.db2.gz DRVICHOOIYLWGY-NNYUYHANSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+]CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655961349 411162821 /nfs/dbraw/zinc/16/28/21/411162821.db2.gz OIZUSIJMHHNVOO-WDEREUQCSA-N 1 3 240.351 0.261 20 0 BCADHO C[NH2+]CCNC(=O)N(C)CCN1CCCCC1 ZINC000652203937 411168227 /nfs/dbraw/zinc/16/82/27/411168227.db2.gz AUSMMRAYPXRRGQ-UHFFFAOYSA-N 1 3 242.367 0.333 20 0 BCADHO NC1(C(=O)N[C@H](C[NH3+])C2CC2)CC2(CCC2)C1 ZINC000659289572 411169621 /nfs/dbraw/zinc/16/96/21/411169621.db2.gz CURLSOUMGSAEJZ-SNVBAGLBSA-N 1 3 237.347 0.502 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+]CC1=CCN(C)CC1 ZINC000657940752 411175273 /nfs/dbraw/zinc/17/52/73/411175273.db2.gz MQAJGLTVPSPSFR-LLVKDONJSA-N 1 3 235.335 0.518 20 0 BCADHO C[N@H+](CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000062010155 411186416 /nfs/dbraw/zinc/18/64/16/411186416.db2.gz CCCFOJNSTSSPGW-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO C[N@@H+](CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000062010155 411186418 /nfs/dbraw/zinc/18/64/18/411186418.db2.gz CCCFOJNSTSSPGW-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000656199096 411201407 /nfs/dbraw/zinc/20/14/07/411201407.db2.gz LIZACRJKAWNGBG-FVCCEPFGSA-N 1 3 242.363 0.897 20 0 BCADHO CCc1nncn1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656196786 411202031 /nfs/dbraw/zinc/20/20/31/411202031.db2.gz HIHJSKVHZZPCGL-GHMZBOCLSA-N 1 3 237.351 0.700 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCOC[C@@H]2CCOC2)C1 ZINC000656197685 411203140 /nfs/dbraw/zinc/20/31/40/411203140.db2.gz XQUMIGXSMKACMC-JHJVBQTASA-N 1 3 242.363 0.899 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338481 411204574 /nfs/dbraw/zinc/20/45/74/411204574.db2.gz ICPMTHOPRFDOEU-VXGBXAGGSA-N 1 3 228.336 0.069 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338481 411204575 /nfs/dbraw/zinc/20/45/75/411204575.db2.gz ICPMTHOPRFDOEU-VXGBXAGGSA-N 1 3 228.336 0.069 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(CCOC2)C1 ZINC000652338481 411204577 /nfs/dbraw/zinc/20/45/77/411204577.db2.gz ICPMTHOPRFDOEU-VXGBXAGGSA-N 1 3 228.336 0.069 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335479365 411210767 /nfs/dbraw/zinc/21/07/67/411210767.db2.gz MXWZPFISUKZLDY-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335479364 411210772 /nfs/dbraw/zinc/21/07/72/411210772.db2.gz MXWZPFISUKZLDY-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO NC1(C(=O)NCC[NH2+]C2CC2)CC2(CCC2)C1 ZINC000659294188 411219752 /nfs/dbraw/zinc/21/97/52/411219752.db2.gz IHVCNOMZIKQIFL-UHFFFAOYSA-N 1 3 237.347 0.516 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000659608430 411228486 /nfs/dbraw/zinc/22/84/86/411228486.db2.gz CUJHOWQTXNJNIM-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000659611189 411232150 /nfs/dbraw/zinc/23/21/50/411232150.db2.gz QLOQPJTZCJKRIY-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CN(C)CCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466217 411277873 /nfs/dbraw/zinc/27/78/73/411277873.db2.gz ABCBQUXJHORUAZ-NSHDSACASA-N 1 3 223.324 0.307 20 0 BCADHO CC[C@@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467358 411279336 /nfs/dbraw/zinc/27/93/36/411279336.db2.gz OQOWWJQLJKSPBM-RKDXNWHRSA-N 1 3 209.297 0.612 20 0 BCADHO CC(C)(C)[C@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467458 411279566 /nfs/dbraw/zinc/27/95/66/411279566.db2.gz CIPBROPWDWPTIC-WCBMZHEXSA-N 1 3 223.324 0.858 20 0 BCADHO CC[C@@](C)(N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468695 411280941 /nfs/dbraw/zinc/28/09/41/411280941.db2.gz RCUAAASUPCGXTR-MWLCHTKSSA-N 1 3 223.324 0.787 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694921 411281188 /nfs/dbraw/zinc/28/11/88/411281188.db2.gz OFESKHKJWXFIIZ-RTYFJBAXSA-N 1 3 227.352 0.890 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@@H]1CC[NH2+]C1 ZINC000051889768 411285524 /nfs/dbraw/zinc/28/55/24/411285524.db2.gz LVUJZYXEWSRXGL-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](CNC(=O)CNC1CC1)C[NH+]1CCCC1 ZINC000062076583 411329207 /nfs/dbraw/zinc/32/92/07/411329207.db2.gz IAUFUBGNZISXOL-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CNC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759494 411318132 /nfs/dbraw/zinc/31/81/32/411318132.db2.gz HCCNBXBRYJMGRE-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1C[NH2+]C[C@H](NCCCn2ccnc2)C1 ZINC000401759494 411318135 /nfs/dbraw/zinc/31/81/35/411318135.db2.gz HCCNBXBRYJMGRE-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000050464462 411259362 /nfs/dbraw/zinc/25/93/62/411259362.db2.gz HMKZVTPFPPMGMW-MXWKQRLJSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000050464462 411259367 /nfs/dbraw/zinc/25/93/67/411259367.db2.gz HMKZVTPFPPMGMW-MXWKQRLJSA-N 1 3 225.336 0.180 20 0 BCADHO O[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000658349513 411351515 /nfs/dbraw/zinc/35/15/15/411351515.db2.gz JJISCRBAAUIFHB-JOCQHMNTSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@@]1(CN2CC[C@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786838 411366006 /nfs/dbraw/zinc/36/60/06/411366006.db2.gz AZINWEUWBLLRMF-QWHCGFSZSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@@]12COC[C@H]1CN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656790892 411370734 /nfs/dbraw/zinc/37/07/34/411370734.db2.gz BXMDPJRNCJGPQA-FRRDWIJNSA-N 1 3 224.348 0.954 20 0 BCADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000659848474 411341438 /nfs/dbraw/zinc/34/14/38/411341438.db2.gz AAZJYCXFODGAFJ-JHJVBQTASA-N 1 3 224.348 0.953 20 0 BCADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1c[nH]nn1)C2 ZINC000660665834 411377007 /nfs/dbraw/zinc/37/70/07/411377007.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 1 3 249.362 0.765 20 0 BCADHO C[N@H+]1CC[C@@]2(C1)CCCN(CCc1c[nH]nn1)C2 ZINC000660665834 411377008 /nfs/dbraw/zinc/37/70/08/411377008.db2.gz YDIXWTKQPXLLNT-CYBMUJFWSA-N 1 3 249.362 0.765 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CCCN1CCC(C)CC1 ZINC000102559456 168179844 /nfs/dbraw/zinc/17/98/44/168179844.db2.gz ROBMDFFWJXKGLG-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CC(N)=O)NCCC[NH+]1CCC(C)CC1 ZINC000102559456 168179846 /nfs/dbraw/zinc/17/98/46/168179846.db2.gz ROBMDFFWJXKGLG-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[NH+]1CCC(C)CC1 ZINC000236723133 168187063 /nfs/dbraw/zinc/18/70/63/168187063.db2.gz IWGYSBIELJMHBT-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000580763865 411395446 /nfs/dbraw/zinc/39/54/46/411395446.db2.gz WIXQOWIPYREPML-WYUUTHIRSA-N 1 3 239.363 0.489 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659365809 411404644 /nfs/dbraw/zinc/40/46/44/411404644.db2.gz IHAOGXANYSFRLI-GFCCVEGCSA-N 1 3 249.314 0.635 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000659460321 411417127 /nfs/dbraw/zinc/41/71/27/411417127.db2.gz OAIJNDLMDOHOQH-HBNTYKKESA-N 1 3 242.367 0.376 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000659456778 411417449 /nfs/dbraw/zinc/41/74/49/411417449.db2.gz SFSIYPAFPMCLNH-VHSXEESVSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000126353699 411432130 /nfs/dbraw/zinc/43/21/30/411432130.db2.gz HFSXAIFPNUDEKD-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000659541088 411432464 /nfs/dbraw/zinc/43/24/64/411432464.db2.gz ZOJLCXDMIQTUSB-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000659544194 411433214 /nfs/dbraw/zinc/43/32/14/411433214.db2.gz QYVQZXZWNALZMO-BYCRGOAPSA-N 1 3 240.351 0.285 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)N(C)C ZINC000407298455 411477625 /nfs/dbraw/zinc/47/76/25/411477625.db2.gz AYLGKLKJKSQWLN-USWWRNFRSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](CCO)CC1CC1 ZINC000659857412 411479386 /nfs/dbraw/zinc/47/93/86/411479386.db2.gz KAYDFIJTMAMMSO-ZDUSSCGKSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](CCO)CC1CC1 ZINC000659857412 411479387 /nfs/dbraw/zinc/47/93/87/411479387.db2.gz KAYDFIJTMAMMSO-ZDUSSCGKSA-N 1 3 244.379 0.392 20 0 BCADHO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1C[C@@H](N(C)C)C1 ZINC000655805788 411520189 /nfs/dbraw/zinc/52/01/89/411520189.db2.gz SDDZOUORTLXBAJ-GARJFASQSA-N 1 3 248.392 0.349 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC)[C@@H](C)C1 ZINC000246244329 170010768 /nfs/dbraw/zinc/01/07/68/170010768.db2.gz JECQIJLBTFMYMS-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC)[C@@H](C)C1 ZINC000246244329 170010769 /nfs/dbraw/zinc/01/07/69/170010769.db2.gz JECQIJLBTFMYMS-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@H]2CCCN2C)C1 ZINC000335150590 170011258 /nfs/dbraw/zinc/01/12/58/170011258.db2.gz OEUYKNPUPCSGPY-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@H](C)C1 ZINC000305130878 170021314 /nfs/dbraw/zinc/02/13/14/170021314.db2.gz MZNYLUSXAQBZNU-AGIUHOORSA-N 1 3 243.395 0.229 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COCCO2)[C@H](C)C1 ZINC000358224508 170021463 /nfs/dbraw/zinc/02/14/63/170021463.db2.gz QXQUBJFMKFFZSZ-UPJWGTAASA-N 1 3 242.363 0.722 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H]2COCCO2)[C@H](C)C1 ZINC000358224508 170021464 /nfs/dbraw/zinc/02/14/64/170021464.db2.gz QXQUBJFMKFFZSZ-UPJWGTAASA-N 1 3 242.363 0.722 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C)[C@@H](C)C1 ZINC000305130882 170021649 /nfs/dbraw/zinc/02/16/49/170021649.db2.gz MZNYLUSXAQBZNU-XQQFMLRXSA-N 1 3 243.395 0.229 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH3+] ZINC000357246084 170023897 /nfs/dbraw/zinc/02/38/97/170023897.db2.gz XBPALCYQHITJET-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332600932 170040822 /nfs/dbraw/zinc/04/08/22/170040822.db2.gz AULWXNAVCLXBSW-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000113656117 170111995 /nfs/dbraw/zinc/11/19/95/170111995.db2.gz GAJHVSPEPWMGHN-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@H](N)C(C)C ZINC000309160797 170140260 /nfs/dbraw/zinc/14/02/60/170140260.db2.gz YYFOWCHQQAGIFT-DTWKUNHWSA-N 1 3 201.314 0.084 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+]CCCN1CCCC1 ZINC000657823440 411606941 /nfs/dbraw/zinc/60/69/41/411606941.db2.gz GPBQBXJOODFLQK-GFCCVEGCSA-N 1 3 237.351 0.742 20 0 BCADHO C[C@H](Cn1cncn1)NCCC[NH+]1CCCC1 ZINC000657823440 411606943 /nfs/dbraw/zinc/60/69/43/411606943.db2.gz GPBQBXJOODFLQK-GFCCVEGCSA-N 1 3 237.351 0.742 20 0 BCADHO C[C@H](Cn1cncn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657836913 411609359 /nfs/dbraw/zinc/60/93/59/411609359.db2.gz XVHBZMZDPSBIGG-NEPJUHHUSA-N 1 3 249.362 0.741 20 0 BCADHO C[C@H](Cn1cncn1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657836913 411609362 /nfs/dbraw/zinc/60/93/62/411609362.db2.gz XVHBZMZDPSBIGG-NEPJUHHUSA-N 1 3 249.362 0.741 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000660920169 411668885 /nfs/dbraw/zinc/66/88/85/411668885.db2.gz ONXHDHFTJMUOML-RYUDHWBXSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000660920169 411668887 /nfs/dbraw/zinc/66/88/87/411668887.db2.gz ONXHDHFTJMUOML-RYUDHWBXSA-N 1 3 232.368 0.390 20 0 BCADHO C[C@]1(CN2CC[C@@H](F)[C@H](N)C2)CC[NH2+]C1 ZINC000663505517 411688696 /nfs/dbraw/zinc/68/86/96/411688696.db2.gz JOBGPIZMQGKJTM-MXWKQRLJSA-N 1 3 215.316 0.357 20 0 BCADHO C[C@H]1C[C@H](CN2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512202 411694254 /nfs/dbraw/zinc/69/42/54/411694254.db2.gz ZIXSLUQNCIPQTA-NWDGAFQWSA-N 1 3 239.363 0.049 20 0 BCADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN)C2)cc1 ZINC000145153327 487620575 /nfs/dbraw/zinc/62/05/75/487620575.db2.gz CNQYBPIDIMJYFY-ZDUSSCGKSA-N 1 3 247.342 0.644 20 0 BCADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN)C2)cc1 ZINC000145153327 487620582 /nfs/dbraw/zinc/62/05/82/487620582.db2.gz CNQYBPIDIMJYFY-ZDUSSCGKSA-N 1 3 247.342 0.644 20 0 BCADHO Nc1ncc(CN[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000647548165 411963923 /nfs/dbraw/zinc/96/39/23/411963923.db2.gz XIUYZFMPVNSRPK-SECBINFHSA-N 1 3 238.360 0.957 20 0 BCADHO CC[C@H](O)C[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662149318 412008426 /nfs/dbraw/zinc/00/84/26/412008426.db2.gz MWFAFLADLSKGPK-QWHCGFSZSA-N 1 3 242.363 0.288 20 0 BCADHO Nc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000647544515 411954130 /nfs/dbraw/zinc/95/41/30/411954130.db2.gz CVTMKOGIZIMRRO-BETUJISGSA-N 1 3 246.358 1.095 20 0 BCADHO Nc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000647546823 411956884 /nfs/dbraw/zinc/95/68/84/411956884.db2.gz CXSDAZBYTJZARQ-GHMZBOCLSA-N 1 3 220.320 1.023 20 0 BCADHO Nc1ncc(CN[C@H]2CC23CC[NH2+]CC3)s1 ZINC000647548166 411963516 /nfs/dbraw/zinc/96/35/16/411963516.db2.gz XIUYZFMPVNSRPK-VIFPVBQESA-N 1 3 238.360 0.957 20 0 BCADHO COC[C@@H](C[N@H+](C1CC1)C1CCNCC1)OC ZINC000662234209 412032536 /nfs/dbraw/zinc/03/25/36/412032536.db2.gz JTXRMPQJSWQKIF-CYBMUJFWSA-N 1 3 242.363 0.864 20 0 BCADHO COC[C@@H](C[N@@H+](C1CC1)C1CCNCC1)OC ZINC000662234209 412032540 /nfs/dbraw/zinc/03/25/40/412032540.db2.gz JTXRMPQJSWQKIF-CYBMUJFWSA-N 1 3 242.363 0.864 20 0 BCADHO Cc1cc(CN2CCC(C[NH3+])CC2)ncn1 ZINC000662233343 412033152 /nfs/dbraw/zinc/03/31/52/412033152.db2.gz DMSRWTPYQMXGFV-UHFFFAOYSA-N 1 3 220.320 0.956 20 0 BCADHO COC[C@H](CN[C@@](C)(C[NH3+])C(C)C)OC ZINC000662248686 412037641 /nfs/dbraw/zinc/03/76/41/412037641.db2.gz AQURPOPJJQQPPK-QWRGUYRKSA-N 1 3 218.341 0.611 20 0 BCADHO COC[C@@H](CN(C)CC(C)(C)C[NH3+])OC ZINC000662247774 412044472 /nfs/dbraw/zinc/04/44/72/412044472.db2.gz KKNNMWPPXIYLAS-SNVBAGLBSA-N 1 3 218.341 0.565 20 0 BCADHO COC[C@@H](C[N@H+](C)CC(C)(C)CN)OC ZINC000662247774 412044475 /nfs/dbraw/zinc/04/44/75/412044475.db2.gz KKNNMWPPXIYLAS-SNVBAGLBSA-N 1 3 218.341 0.565 20 0 BCADHO COC[C@@H](C[N@@H+](C)CC(C)(C)CN)OC ZINC000662247774 412044478 /nfs/dbraw/zinc/04/44/78/412044478.db2.gz KKNNMWPPXIYLAS-SNVBAGLBSA-N 1 3 218.341 0.565 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662247174 412044789 /nfs/dbraw/zinc/04/47/89/412044789.db2.gz USPHRLJEZHFKCW-NWDGAFQWSA-N 1 3 239.363 0.049 20 0 BCADHO COCCC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254141 412048939 /nfs/dbraw/zinc/04/89/39/412048939.db2.gz MAYNZPWDOSAWFQ-LLVKDONJSA-N 1 3 228.336 0.476 20 0 BCADHO COCCC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254141 412048941 /nfs/dbraw/zinc/04/89/41/412048941.db2.gz MAYNZPWDOSAWFQ-LLVKDONJSA-N 1 3 228.336 0.476 20 0 BCADHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCOC1 ZINC000662258988 412054374 /nfs/dbraw/zinc/05/43/74/412054374.db2.gz ZSGYUXFAIQESNV-WDEREUQCSA-N 1 3 226.320 0.228 20 0 BCADHO COC[C@H](CN1CCCC[C@@H]1CC[NH3+])OC ZINC000662272855 412064109 /nfs/dbraw/zinc/06/41/09/412064109.db2.gz JLVUFVMEWAWHHN-NEPJUHHUSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](C[N@@H+]1CCCC[C@@H]1CCN)OC ZINC000662272855 412064111 /nfs/dbraw/zinc/06/41/11/412064111.db2.gz JLVUFVMEWAWHHN-NEPJUHHUSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](C[N@H+]1CCCC[C@@H]1CCN)OC ZINC000662272855 412064112 /nfs/dbraw/zinc/06/41/12/412064112.db2.gz JLVUFVMEWAWHHN-NEPJUHHUSA-N 1 3 230.352 0.851 20 0 BCADHO CC[C@@H]1CN(C[C@H](COC)OC)CC[C@H]1[NH3+] ZINC000662273107 412066370 /nfs/dbraw/zinc/06/63/70/412066370.db2.gz SYSBDKGJUSAGNU-IJLUTSLNSA-N 1 3 230.352 0.707 20 0 BCADHO C([C@@H]1CNCCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277575 412069020 /nfs/dbraw/zinc/06/90/20/412069020.db2.gz QFSVZJXDXLPINB-QWHCGFSZSA-N 1 3 239.363 0.050 20 0 BCADHO CC[C@@H](CC(F)F)CN(C)C[C@@H](O)C[NH3+] ZINC000662278651 412071119 /nfs/dbraw/zinc/07/11/19/412071119.db2.gz ZYUKLVUNZWOBAI-IUCAKERBSA-N 1 3 224.295 0.919 20 0 BCADHO OCC1(NCCCc2ccncc2)CC[NH2+]CC1 ZINC000662284952 412077130 /nfs/dbraw/zinc/07/71/30/412077130.db2.gz SCCAUXZAYYPDCU-UHFFFAOYSA-N 1 3 249.358 0.718 20 0 BCADHO C[C@@H]1C[C@H](C)N(C[C@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662282399 412072427 /nfs/dbraw/zinc/07/24/27/412072427.db2.gz HEZBNYMWEDDTTK-MROQNXINSA-N 1 3 241.379 0.280 20 0 BCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N(CC)CC ZINC000359429347 171222275 /nfs/dbraw/zinc/22/22/75/171222275.db2.gz RFLSGBYQNVTPTO-WDEREUQCSA-N 1 3 229.368 0.912 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N(C)C ZINC000366282035 171226242 /nfs/dbraw/zinc/22/62/42/171226242.db2.gz FCOANYIFZPERPB-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)NCC[N@H+](C)CC)N(C)C ZINC000125220103 171228943 /nfs/dbraw/zinc/22/89/43/171228943.db2.gz WYJVBGSQRKVJRS-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@H](C(=O)NCC[N@@H+](C)CC)N(C)C ZINC000125220103 171228945 /nfs/dbraw/zinc/22/89/45/171228945.db2.gz WYJVBGSQRKVJRS-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000126463038 171229174 /nfs/dbraw/zinc/22/91/74/171229174.db2.gz CBUDERRNLUKJAS-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000126463038 171229176 /nfs/dbraw/zinc/22/91/76/171229176.db2.gz CBUDERRNLUKJAS-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)C[NH+](C)C)N(C)C ZINC000341258022 171229378 /nfs/dbraw/zinc/22/93/78/171229378.db2.gz KTGAYGOQTYOTIG-WDEREUQCSA-N 1 3 229.368 0.641 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000338963480 171231413 /nfs/dbraw/zinc/23/14/13/171231413.db2.gz KCEDLNMJVPFPHL-QJPTWQEYSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000338963480 171231415 /nfs/dbraw/zinc/23/14/15/171231415.db2.gz KCEDLNMJVPFPHL-QJPTWQEYSA-N 1 3 241.379 0.926 20 0 BCADHO OCC1(NCC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000662283332 412074904 /nfs/dbraw/zinc/07/49/04/412074904.db2.gz IANQTXQUNDBSCX-LLVKDONJSA-N 1 3 228.336 0.260 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291922 412082557 /nfs/dbraw/zinc/08/25/57/412082557.db2.gz ARPBGKGEYICAMS-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000365049027 171307166 /nfs/dbraw/zinc/30/71/66/171307166.db2.gz RQXWERDHLXSZDF-JQWIXIFHSA-N 1 3 245.342 0.535 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000365049027 171307167 /nfs/dbraw/zinc/30/71/67/171307167.db2.gz RQXWERDHLXSZDF-JQWIXIFHSA-N 1 3 245.342 0.535 20 0 BCADHO CC[C@H](C)N(CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336732889 171313242 /nfs/dbraw/zinc/31/32/42/171313242.db2.gz ZWCWPPDZOOWMKP-AAEUAGOBSA-N 1 3 244.379 0.534 20 0 BCADHO CC[C@H](C)N(CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336732889 171313244 /nfs/dbraw/zinc/31/32/44/171313244.db2.gz ZWCWPPDZOOWMKP-AAEUAGOBSA-N 1 3 244.379 0.534 20 0 BCADHO CN(C[C@H]1CCC2(CNC2)O1)CC(C)(C)[NH3+] ZINC000662293283 412081557 /nfs/dbraw/zinc/08/15/57/412081557.db2.gz FTTHNEGNSNKIJI-SNVBAGLBSA-N 1 3 227.352 0.177 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227656549 171369507 /nfs/dbraw/zinc/36/95/07/171369507.db2.gz TWWFBWXKECPGTA-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364775515 171371001 /nfs/dbraw/zinc/37/10/01/171371001.db2.gz HYPOGRBTDRMZEI-HBNTYKKESA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365227472 171393853 /nfs/dbraw/zinc/39/38/53/171393853.db2.gz RTSHAIMCLOICPU-USZNOCQGSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000040458546 171395990 /nfs/dbraw/zinc/39/59/90/171395990.db2.gz VCLGQFZCLYCOTD-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000040458546 171395991 /nfs/dbraw/zinc/39/59/91/171395991.db2.gz VCLGQFZCLYCOTD-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248865243 171396282 /nfs/dbraw/zinc/39/62/82/171396282.db2.gz NACZGKGFOFYYJN-NAKRPEOUSA-N 1 3 227.352 0.617 20 0 BCADHO CN(CCOCC[NH3+])CC1=CCCOC1 ZINC000662307103 412092885 /nfs/dbraw/zinc/09/28/85/412092885.db2.gz WCHKOSPFVPAWJF-UHFFFAOYSA-N 1 3 214.309 0.240 20 0 BCADHO C[C@H](N)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662317081 412093710 /nfs/dbraw/zinc/09/37/10/412093710.db2.gz MNQJMCGZGNFYQS-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](N)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662317081 412093714 /nfs/dbraw/zinc/09/37/14/412093714.db2.gz MNQJMCGZGNFYQS-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO N[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323120 412100534 /nfs/dbraw/zinc/10/05/34/412100534.db2.gz LCQGUXDOBUDULH-QJPTWQEYSA-N 1 3 229.343 0.747 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCC(C)CC1 ZINC000662389451 412142024 /nfs/dbraw/zinc/14/20/24/412142024.db2.gz XOZNIJCZYBVKFJ-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000662389439 412142196 /nfs/dbraw/zinc/14/21/96/412142196.db2.gz XIZNJNVNQZFTEJ-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCN1CC ZINC000662364298 412123672 /nfs/dbraw/zinc/12/36/72/412123672.db2.gz XOGBLVZAXXGQBC-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662393210 412142873 /nfs/dbraw/zinc/14/28/73/412142873.db2.gz DCERGZXRUNUSKI-DGCLKSJQSA-N 1 3 245.326 0.781 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000662474328 412187925 /nfs/dbraw/zinc/18/79/25/412187925.db2.gz ZAILDWFIQHJNQY-DCAQKATOSA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000665261957 412203624 /nfs/dbraw/zinc/20/36/24/412203624.db2.gz PMLPREZNXTZJHF-AXFHLTTASA-N 1 3 200.326 0.864 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000662530339 412204903 /nfs/dbraw/zinc/20/49/03/412204903.db2.gz MDILGYRIUKPXLN-NWDGAFQWSA-N 1 3 237.347 0.420 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000662527954 412205456 /nfs/dbraw/zinc/20/54/56/412205456.db2.gz HNKVLAHIFKZSFD-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N(CCN(C)C)C1CC1 ZINC000662542654 412210027 /nfs/dbraw/zinc/21/00/27/412210027.db2.gz RFYKQMPYKXCBRG-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000665272576 412213090 /nfs/dbraw/zinc/21/30/90/412213090.db2.gz HSHRPIRMVKWEPU-GARJFASQSA-N 1 3 225.336 0.243 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[NH2+]C2)CC2(CCC2)C1 ZINC000662396011 412145848 /nfs/dbraw/zinc/14/58/48/412145848.db2.gz RHBJBLOIQBVVJT-SNVBAGLBSA-N 1 3 237.347 0.516 20 0 BCADHO CC[NH2+]CCCNC(=O)C1(NC2CC2)CCC1 ZINC000662400002 412148734 /nfs/dbraw/zinc/14/87/34/412148734.db2.gz YCELFEIFDFPWEE-UHFFFAOYSA-N 1 3 239.363 0.777 20 0 BCADHO CC(C)NCC(=O)N(C)C1CC[NH2+]CC1 ZINC000662399989 412148970 /nfs/dbraw/zinc/14/89/70/412148970.db2.gz GHWMYFSADHHTDX-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO [NH3+]C[C@@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662403730 412150665 /nfs/dbraw/zinc/15/06/65/412150665.db2.gz IHSHNXHOXDMLHJ-JTQLQIEISA-N 1 3 237.347 0.468 20 0 BCADHO C[NH2+]CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662408744 412152947 /nfs/dbraw/zinc/15/29/47/412152947.db2.gz ZOECQQMZUXPOAJ-GFCCVEGCSA-N 1 3 233.315 0.557 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000662412484 412156090 /nfs/dbraw/zinc/15/60/90/412156090.db2.gz GXDXYJSRQVCECI-SRVKXCTJSA-N 1 3 233.315 0.540 20 0 BCADHO CN(C(=O)C1(NC2CC2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000662415057 412156948 /nfs/dbraw/zinc/15/69/48/412156948.db2.gz MDEMJYRSNHHTOM-LLVKDONJSA-N 1 3 237.347 0.481 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000662414221 412157230 /nfs/dbraw/zinc/15/72/30/412157230.db2.gz WRTFZVFPBNBYGI-VXGBXAGGSA-N 1 3 235.331 0.801 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000662415627 412157406 /nfs/dbraw/zinc/15/74/06/412157406.db2.gz IJIQFDKEDFJMCH-KXUCPTDWSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)c1cccc2c1CCNC2 ZINC000662418113 412159879 /nfs/dbraw/zinc/15/98/79/412159879.db2.gz PINALFBVRGEVQP-JTQLQIEISA-N 1 3 247.342 0.752 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCNCC1(C)C ZINC000662424284 412163832 /nfs/dbraw/zinc/16/38/32/412163832.db2.gz POTVHGGAMBSXEJ-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000662425226 412165040 /nfs/dbraw/zinc/16/50/40/412165040.db2.gz YSKAMNNDNCOPAH-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO COC1CC(CC[NH2+][C@@H](C)C2CNC2)C1 ZINC000665230869 412168416 /nfs/dbraw/zinc/16/84/16/412168416.db2.gz XJZQLIHNTQCAEA-BMQDGWLCSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCCCN1 ZINC000665272369 412214174 /nfs/dbraw/zinc/21/41/74/412214174.db2.gz DGFALWCJGAOWQR-VWYCJHECSA-N 1 3 225.336 0.385 20 0 BCADHO [NH3+]C1(CNC(=O)CNC2CC2)CCCC1 ZINC000662654222 412258606 /nfs/dbraw/zinc/25/86/06/412258606.db2.gz GWRKCWSYKNOLBC-UHFFFAOYSA-N 1 3 211.309 0.126 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNc1cnccn1 ZINC000361981278 412266744 /nfs/dbraw/zinc/26/67/44/412266744.db2.gz NSVGBIZGKKKGFF-NWDGAFQWSA-N 1 3 249.362 0.818 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNc1cnccn1 ZINC000361981278 412266746 /nfs/dbraw/zinc/26/67/46/412266746.db2.gz NSVGBIZGKKKGFF-NWDGAFQWSA-N 1 3 249.362 0.818 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662679779 412268069 /nfs/dbraw/zinc/26/80/69/412268069.db2.gz BSESZVRCBQWMJY-SRVKXCTJSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](NC)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000662688304 412271982 /nfs/dbraw/zinc/27/19/82/412271982.db2.gz OAGYRNSJVNFPFO-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](NC)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000662688304 412271983 /nfs/dbraw/zinc/27/19/83/412271983.db2.gz OAGYRNSJVNFPFO-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662726023 412284344 /nfs/dbraw/zinc/28/43/44/412284344.db2.gz YJZQQXFYLVHETQ-GHMZBOCLSA-N 1 3 229.368 0.849 20 0 BCADHO CCCN(C)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728481 412285433 /nfs/dbraw/zinc/28/54/33/412285433.db2.gz SCEKCBMEWAPFCE-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(C)(C)N ZINC000662730812 412286833 /nfs/dbraw/zinc/28/68/33/412286833.db2.gz QATJZAICZZYMNL-MRVPVSSYSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H]([NH3+])CNC(=O)c1cc2c(s1)CCNC2 ZINC000662558938 412217118 /nfs/dbraw/zinc/21/71/18/412217118.db2.gz MXEXSYBYQZGCJU-ZETCQYMHSA-N 1 3 239.344 0.471 20 0 BCADHO C[C@H]([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662558466 412217637 /nfs/dbraw/zinc/21/76/37/412217637.db2.gz FYXJIALGJPVKPF-QMMMGPOBSA-N 1 3 219.288 0.367 20 0 BCADHO C[C@@H](NC(=O)c1cccc2c1CNC2)[C@H](C)[NH3+] ZINC000662565930 412221440 /nfs/dbraw/zinc/22/14/40/412221440.db2.gz ASXGSMHGCKCVSS-DTWKUNHWSA-N 1 3 233.315 0.755 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)NCC12CC(C1)C[NH2+]2 ZINC000665279464 412221497 /nfs/dbraw/zinc/22/14/97/412221497.db2.gz CWYCGTSFHGKZFI-GMKTYKIGSA-N 1 3 239.363 0.095 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000662620800 412244263 /nfs/dbraw/zinc/24/42/63/412244263.db2.gz BNDBUEJRLQJLJS-LLVKDONJSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000662620800 412244266 /nfs/dbraw/zinc/24/42/66/412244266.db2.gz BNDBUEJRLQJLJS-LLVKDONJSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662618989 412244392 /nfs/dbraw/zinc/24/43/92/412244392.db2.gz HEXZWDRJZMKLQT-NXEZZACHSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CC[NH2+]2)C1 ZINC000662618990 412244649 /nfs/dbraw/zinc/24/46/49/412244649.db2.gz HEXZWDRJZMKLQT-VHSXEESVSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](CCNC(=O)C(C)(C)N)[NH+](C)C ZINC000662632359 412247084 /nfs/dbraw/zinc/24/70/84/412247084.db2.gz CNZOQROLSPMMBU-QMMMGPOBSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H](CCNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000662629605 412248432 /nfs/dbraw/zinc/24/84/32/412248432.db2.gz AKTRHFLYPRAYBB-RQJHMYQMSA-N 1 3 241.257 0.332 20 0 BCADHO C[C@H](CCNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000662629604 412248470 /nfs/dbraw/zinc/24/84/70/412248470.db2.gz AKTRHFLYPRAYBB-RNFRBKRXSA-N 1 3 241.257 0.332 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633656 412251595 /nfs/dbraw/zinc/25/15/95/412251595.db2.gz NAZXLGIARSLTBD-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@@H](CCNC(=O)C1(N)CCC1)[NH+](C)C ZINC000662634328 412251708 /nfs/dbraw/zinc/25/17/08/412251708.db2.gz RDWZSACKFJEHKF-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000662818121 412306690 /nfs/dbraw/zinc/30/66/90/412306690.db2.gz PIDAWODBENXVRB-RCWTZXSCSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824052 412311742 /nfs/dbraw/zinc/31/17/42/412311742.db2.gz VMRAGSQTOZVBEH-NSHDSACASA-N 1 3 239.363 0.775 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662823177 412311888 /nfs/dbraw/zinc/31/18/88/412311888.db2.gz OWFNLDZCTOSUGE-XYPYZODXSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662825062 412313086 /nfs/dbraw/zinc/31/30/86/412313086.db2.gz YKKUMTWSARVIDV-NXEZZACHSA-N 1 3 239.363 0.890 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662825063 412313135 /nfs/dbraw/zinc/31/31/35/412313135.db2.gz YKKUMTWSARVIDV-UWVGGRQHSA-N 1 3 239.363 0.890 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000662828999 412313645 /nfs/dbraw/zinc/31/36/45/412313645.db2.gz KEVNUMIGZBOTCC-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662835668 412316795 /nfs/dbraw/zinc/31/67/95/412316795.db2.gz RJFCXXIHBMZABX-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCCCN1 ZINC000662842977 412318168 /nfs/dbraw/zinc/31/81/68/412318168.db2.gz OAXUQJKZOHGGAG-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO NC1(C(=O)N2CC3CC2(C[NH3+])C3)CC2(CCC2)C1 ZINC000662875712 412331820 /nfs/dbraw/zinc/33/18/20/412331820.db2.gz MDXMGBOZCDZZSW-UHFFFAOYSA-N 1 3 249.358 0.598 20 0 BCADHO NC1(C(=O)N2CC3CC2(C[NH3+])C3)CCCCC1 ZINC000662875114 412331887 /nfs/dbraw/zinc/33/18/87/412331887.db2.gz CDJIKFPEFXBUNM-UHFFFAOYSA-N 1 3 237.347 0.598 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876551 412332924 /nfs/dbraw/zinc/33/29/24/412332924.db2.gz ZWZASRFTZYNIQN-YLXHPXFOSA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)NCC23CC(C2)C[NH2+]3)CCCC1 ZINC000662925087 412347556 /nfs/dbraw/zinc/34/75/56/412347556.db2.gz LVNGJJPKVBFXOL-UHFFFAOYSA-N 1 3 223.320 0.126 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945114 412350877 /nfs/dbraw/zinc/35/08/77/412350877.db2.gz FOMWXYWGJMHNDD-NXEZZACHSA-N 1 3 245.342 0.649 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000662954782 412353932 /nfs/dbraw/zinc/35/39/32/412353932.db2.gz ZRPPDHQHLQXMQH-JGVFFNPUSA-N 1 3 201.314 0.084 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662744918 412289663 /nfs/dbraw/zinc/28/96/63/412289663.db2.gz ADLKSBJDRZXZQY-OPRDCNLKSA-N 1 3 231.315 0.258 20 0 BCADHO N[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662748115 412289669 /nfs/dbraw/zinc/28/96/69/412289669.db2.gz LVQISVHHXAJHPF-OPRDCNLKSA-N 1 3 229.299 0.026 20 0 BCADHO N[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC[C@H]1F ZINC000662747760 412289867 /nfs/dbraw/zinc/28/98/67/412289867.db2.gz APODSKNSDGDWAR-LNFKQOIKSA-N 1 3 243.326 0.402 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662746579 412290434 /nfs/dbraw/zinc/29/04/34/412290434.db2.gz QAJDMTBYIOXLEH-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CC[C@H]1F ZINC000662750184 412291484 /nfs/dbraw/zinc/29/14/84/412291484.db2.gz STWIJSHPLYDJBX-OPRDCNLKSA-N 1 3 229.299 0.012 20 0 BCADHO N[C@@H]1CN(C(=O)CCCC[NH3+])CC[C@H]1F ZINC000662750002 412291936 /nfs/dbraw/zinc/29/19/36/412291936.db2.gz QNFKRUKGQCFKBZ-RKDXNWHRSA-N 1 3 217.288 0.013 20 0 BCADHO NC1(C(=O)NC[C@H]([NH3+])C2CC2)CC2(CCC2)C1 ZINC000662763430 412293570 /nfs/dbraw/zinc/29/35/70/412293570.db2.gz BHGFTEQZOKABJR-JTQLQIEISA-N 1 3 237.347 0.502 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000662765097 412294875 /nfs/dbraw/zinc/29/48/75/412294875.db2.gz VRIYBQGGGNXUCV-VIFPVBQESA-N 1 3 225.336 0.502 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000662774186 412297969 /nfs/dbraw/zinc/29/79/69/412297969.db2.gz LZYWVLCVUXJIDX-ZJUUUORDSA-N 1 3 213.325 0.193 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNc1cnccn1 ZINC000422892015 412299708 /nfs/dbraw/zinc/29/97/08/412299708.db2.gz XITKYZHJTRQMKC-WDEREUQCSA-N 1 3 235.335 0.606 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000422892015 412299712 /nfs/dbraw/zinc/29/97/12/412299712.db2.gz XITKYZHJTRQMKC-WDEREUQCSA-N 1 3 235.335 0.606 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662783479 412300708 /nfs/dbraw/zinc/30/07/08/412300708.db2.gz PISFBPSAJCPELI-ZJUUUORDSA-N 1 3 247.342 0.798 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662783474 412300928 /nfs/dbraw/zinc/30/09/28/412300928.db2.gz PISFBPSAJCPELI-UWVGGRQHSA-N 1 3 247.342 0.798 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795123 412305040 /nfs/dbraw/zinc/30/50/40/412305040.db2.gz XAQWVDNWXXWZMI-DDHJBXDOSA-N 1 3 239.363 0.522 20 0 BCADHO CN(C(=O)CN1CCC(C[NH3+])CC1)C1CC1 ZINC000049305750 172308075 /nfs/dbraw/zinc/30/80/75/172308075.db2.gz VOQHTVCGLRMYPK-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1CCN ZINC000082594485 172357916 /nfs/dbraw/zinc/35/79/16/172357916.db2.gz IQDFVXJZJMQGDJ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CCCC[C@H]1CCN ZINC000082594485 172357917 /nfs/dbraw/zinc/35/79/17/172357917.db2.gz IQDFVXJZJMQGDJ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CN(C)C(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000082594485 172357919 /nfs/dbraw/zinc/35/79/19/172357919.db2.gz IQDFVXJZJMQGDJ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CN(C)C/C=C/C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000265708515 172399606 /nfs/dbraw/zinc/39/96/06/172399606.db2.gz UJWYFCIZTABJLK-MVIFTORASA-N 1 3 225.336 0.267 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000265708515 172399608 /nfs/dbraw/zinc/39/96/08/172399608.db2.gz UJWYFCIZTABJLK-MVIFTORASA-N 1 3 225.336 0.267 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055085993 172461699 /nfs/dbraw/zinc/46/16/99/172461699.db2.gz LSVKBBRDBNJDIJ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCCC[C@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000364201945 173006924 /nfs/dbraw/zinc/00/69/24/173006924.db2.gz GZLCGEHZIFITKI-AVGNSLFASA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCC[C@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000364201945 173006926 /nfs/dbraw/zinc/00/69/26/173006926.db2.gz GZLCGEHZIFITKI-AVGNSLFASA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042165846 173012171 /nfs/dbraw/zinc/01/21/71/173012171.db2.gz UBBQALBAKWMWJB-NSHDSACASA-N 1 3 225.336 0.293 20 0 BCADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(N)=O)CC1 ZINC000124648167 173027810 /nfs/dbraw/zinc/02/78/10/173027810.db2.gz SVJMIFFHNOCCBJ-GFCCVEGCSA-N 1 3 239.363 0.668 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000226394532 173029946 /nfs/dbraw/zinc/02/99/46/173029946.db2.gz XIFDBFJSWFKFHA-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@@H]2C[N@H+](CCOCCO)CC[C@@H]21 ZINC000129155400 173037118 /nfs/dbraw/zinc/03/71/18/173037118.db2.gz FTNBVPNCVNTAER-OLZOCXBDSA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC[C@@H]2C[N@@H+](CCOCCO)CC[C@@H]21 ZINC000129155400 173037119 /nfs/dbraw/zinc/03/71/19/173037119.db2.gz FTNBVPNCVNTAER-OLZOCXBDSA-N 1 3 242.363 0.411 20 0 BCADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000226394561 173055807 /nfs/dbraw/zinc/05/58/07/173055807.db2.gz JIVOUGRSDHQHBF-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000226394561 173055810 /nfs/dbraw/zinc/05/58/10/173055810.db2.gz JIVOUGRSDHQHBF-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCN(CC2CC[NH2+]CC2)C(C)(C)C1=O ZINC000094865922 173080082 /nfs/dbraw/zinc/08/00/82/173080082.db2.gz YRNKJGPZSKYUCZ-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037484875 173115266 /nfs/dbraw/zinc/11/52/66/173115266.db2.gz HAWPYXPQEOBVTQ-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037484875 173115275 /nfs/dbraw/zinc/11/52/75/173115275.db2.gz HAWPYXPQEOBVTQ-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CN1CC[C@H](N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000228544508 173150890 /nfs/dbraw/zinc/15/08/90/173150890.db2.gz GLJOZNYXFRAZIE-QCNOEVLYSA-N 1 3 237.347 0.276 20 0 BCADHO CNC(=O)CCCN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000340709275 173238474 /nfs/dbraw/zinc/23/84/74/173238474.db2.gz HJURIMFXTULVJB-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO CNC(=O)C[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000309616742 173281701 /nfs/dbraw/zinc/28/17/01/173281701.db2.gz DAXOTFXBTKVBCO-JTQLQIEISA-N 1 3 229.368 0.688 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359089659 173282208 /nfs/dbraw/zinc/28/22/08/173282208.db2.gz BSTVUVJDGVUCAE-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000359089659 173282209 /nfs/dbraw/zinc/28/22/09/173282209.db2.gz BSTVUVJDGVUCAE-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000323043252 173282630 /nfs/dbraw/zinc/28/26/30/173282630.db2.gz OWTHEYWZHQTWOQ-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000323043252 173282631 /nfs/dbraw/zinc/28/26/31/173282631.db2.gz OWTHEYWZHQTWOQ-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000358288770 173282974 /nfs/dbraw/zinc/28/29/74/173282974.db2.gz OHUVEHZWMSBIQW-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000358288770 173282975 /nfs/dbraw/zinc/28/29/75/173282975.db2.gz OHUVEHZWMSBIQW-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000237197692 173326379 /nfs/dbraw/zinc/32/63/79/173326379.db2.gz ATJLYEIWINWHIY-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000366626520 173326576 /nfs/dbraw/zinc/32/65/76/173326576.db2.gz BQCGJVRNGCUVOC-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)NCCC[NH+]1CCCCC1 ZINC000037467389 173328454 /nfs/dbraw/zinc/32/84/54/173328454.db2.gz DZKJJOJINHZTRZ-UHFFFAOYSA-N 1 3 213.325 0.198 20 0 BCADHO CNCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237251818 173329973 /nfs/dbraw/zinc/32/99/73/173329973.db2.gz BGCXGKDJLZAQJE-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237251818 173329974 /nfs/dbraw/zinc/32/99/74/173329974.db2.gz BGCXGKDJLZAQJE-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040420119 173331030 /nfs/dbraw/zinc/33/10/30/173331030.db2.gz OUGZJOSSKQFLJT-LBPRGKRZSA-N 1 3 235.331 0.625 20 0 BCADHO CNCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000237257949 173331813 /nfs/dbraw/zinc/33/18/13/173331813.db2.gz FQJNGSASTJPQLX-JTQLQIEISA-N 1 3 229.368 0.688 20 0 BCADHO CNCC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237266664 173332069 /nfs/dbraw/zinc/33/20/69/173332069.db2.gz NDTTWRBMHJMKMR-IJLUTSLNSA-N 1 3 241.379 0.688 20 0 BCADHO CNCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000237270957 173332593 /nfs/dbraw/zinc/33/25/93/173332593.db2.gz FQJNGSASTJPQLX-SNVBAGLBSA-N 1 3 229.368 0.688 20 0 BCADHO CNCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000377567330 173335593 /nfs/dbraw/zinc/33/55/93/173335593.db2.gz XIKRFRFYTDQVQT-LURJTMIESA-N 1 3 240.332 0.117 20 0 BCADHO C[NH2+]CC1CCN(CCOCCOC)CC1 ZINC000070027611 173338239 /nfs/dbraw/zinc/33/82/39/173338239.db2.gz BWPZOSOSTKIJMD-UHFFFAOYSA-N 1 3 230.352 0.581 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000361725222 173338697 /nfs/dbraw/zinc/33/86/97/173338697.db2.gz CVLZMDIWEYOSNS-LBPRGKRZSA-N 1 3 243.326 0.146 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000237118103 173342598 /nfs/dbraw/zinc/34/25/98/173342598.db2.gz SUIYMEZWKVNYPX-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812649 173343675 /nfs/dbraw/zinc/34/36/75/173343675.db2.gz GFARNKOIMPLEBX-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000246698455 173362716 /nfs/dbraw/zinc/36/27/16/173362716.db2.gz WAYIDDJVMCZYIP-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000237303674 173364039 /nfs/dbraw/zinc/36/40/39/173364039.db2.gz LQLPHKHXMGKANV-RKDXNWHRSA-N 1 3 215.341 0.332 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237186432 173367530 /nfs/dbraw/zinc/36/75/30/173367530.db2.gz HAMQOTOGNLLLBM-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]C[C@@H]1CCCN([C@H](C)COC)C1 ZINC000251000096 173367775 /nfs/dbraw/zinc/36/77/75/173367775.db2.gz PHXWYSLJSOAZLF-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000237281769 173372970 /nfs/dbraw/zinc/37/29/70/173372970.db2.gz GMAORGXHHLVFIS-RYUDHWBXSA-N 1 3 241.379 0.642 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000237327238 173373864 /nfs/dbraw/zinc/37/38/64/173373864.db2.gz GKWKVGRAWZEHSH-JQWIXIFHSA-N 1 3 235.331 0.658 20 0 BCADHO COCCCN(CCOC)C[C@@H]1CCC[NH2+]C1 ZINC000042425402 174223598 /nfs/dbraw/zinc/22/35/98/174223598.db2.gz RDKXGNVTICUGCW-CYBMUJFWSA-N 1 3 244.379 0.971 20 0 BCADHO [NH3+]CCCCc1cn(CCN2CCCC2)nn1 ZINC000228376725 487630550 /nfs/dbraw/zinc/63/05/50/487630550.db2.gz YESLCIFDBFNNNY-UHFFFAOYSA-N 1 3 237.351 0.655 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000237472218 175797914 /nfs/dbraw/zinc/79/79/14/175797914.db2.gz NOGCBHGGZVZUMA-ZJUUUORDSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N ZINC000237400207 176100323 /nfs/dbraw/zinc/10/03/23/176100323.db2.gz NQZLXVBWFVNRDW-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N ZINC000237400207 176100324 /nfs/dbraw/zinc/10/03/24/176100324.db2.gz NQZLXVBWFVNRDW-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336685045 176109040 /nfs/dbraw/zinc/10/90/40/176109040.db2.gz KNCMUJQKBCUWMZ-ZYHUDNBSSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1CCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336685045 176109041 /nfs/dbraw/zinc/10/90/41/176109041.db2.gz KNCMUJQKBCUWMZ-ZYHUDNBSSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000226084621 176187432 /nfs/dbraw/zinc/18/74/32/176187432.db2.gz DWKWFORBWOYJLU-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000043493609 176196893 /nfs/dbraw/zinc/19/68/93/176196893.db2.gz NQBDEPUFWOLEAX-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1CCCNC1 ZINC000043493609 176196896 /nfs/dbraw/zinc/19/68/96/176196896.db2.gz NQBDEPUFWOLEAX-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCCCC2)CC[C@@H]1[NH3+] ZINC000336302900 176242785 /nfs/dbraw/zinc/24/27/85/176242785.db2.gz BFTIBPHEIMEZOA-MNOVXSKESA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C)C[C@@H]1[NH3+] ZINC000333948728 176251204 /nfs/dbraw/zinc/25/12/04/176251204.db2.gz WOYYIXBTNDEQIE-VWYCJHECSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875587 176270861 /nfs/dbraw/zinc/27/08/61/176270861.db2.gz MFPJCHPLBNWYDW-MNOVXSKESA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875587 176270863 /nfs/dbraw/zinc/27/08/63/176270863.db2.gz MFPJCHPLBNWYDW-MNOVXSKESA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CCOCCN(C)C ZINC000336777719 176276806 /nfs/dbraw/zinc/27/68/06/176276806.db2.gz JIEFUJYDPPAGEF-VXGBXAGGSA-N 1 3 229.368 0.104 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000300055631 176358967 /nfs/dbraw/zinc/35/89/67/176358967.db2.gz JASZTQHZGCOSBE-MXWKQRLJSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCn1cccn1 ZINC000122317862 176368165 /nfs/dbraw/zinc/36/81/65/176368165.db2.gz DQHHNKDWTQQFOA-MNOVXSKESA-N 1 3 208.309 0.552 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CCN1C ZINC000133150579 176372586 /nfs/dbraw/zinc/37/25/86/176372586.db2.gz KYPUKFULLNOADH-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCCN1 ZINC000237505349 176525399 /nfs/dbraw/zinc/52/53/99/176525399.db2.gz MIXMDEXLXUOKOB-YPMHNXCESA-N 1 3 239.363 0.634 20 0 BCADHO C[C@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)N(C)C ZINC000036793946 176887635 /nfs/dbraw/zinc/88/76/35/176887635.db2.gz YRXCSBXMYKCLPC-QWRGUYRKSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000195157535 177104329 /nfs/dbraw/zinc/10/43/29/177104329.db2.gz GOELIICOPAXDHI-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000195157535 177104330 /nfs/dbraw/zinc/10/43/30/177104330.db2.gz GOELIICOPAXDHI-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@@H+]1CCC[C@H](C)C1 ZINC000249820841 177104886 /nfs/dbraw/zinc/10/48/86/177104886.db2.gz GOELIICOPAXDHI-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@H+]1CCC[C@H](C)C1 ZINC000249820841 177104888 /nfs/dbraw/zinc/10/48/88/177104888.db2.gz GOELIICOPAXDHI-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903503 177175691 /nfs/dbraw/zinc/17/56/91/177175691.db2.gz YZOBHOSLXBPJLL-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCCC[NH3+] ZINC000357805431 177186670 /nfs/dbraw/zinc/18/66/70/177186670.db2.gz XQKFTPQIVAPHGT-PHIMTYICSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CC[C@H](C(N)=O)CN1CCC[NH2+]C1CC1 ZINC000042438671 177197927 /nfs/dbraw/zinc/19/79/27/177197927.db2.gz IIOYNAWEUYFHOI-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCNC1CC1 ZINC000042438671 177197929 /nfs/dbraw/zinc/19/79/29/177197929.db2.gz IIOYNAWEUYFHOI-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCCNC1CC1 ZINC000042438671 177197930 /nfs/dbraw/zinc/19/79/30/177197930.db2.gz IIOYNAWEUYFHOI-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333831763 177221272 /nfs/dbraw/zinc/22/12/72/177221272.db2.gz MRBATDPEVOPWOL-AXFHLTTASA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000333831770 177221403 /nfs/dbraw/zinc/22/14/03/177221403.db2.gz MRBATDPEVOPWOL-DCAQKATOSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)C1CC1 ZINC000358233393 177234859 /nfs/dbraw/zinc/23/48/59/177234859.db2.gz OFIMMJQPHCFYLI-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)C1CC1 ZINC000358233393 177234857 /nfs/dbraw/zinc/23/48/57/177234857.db2.gz OFIMMJQPHCFYLI-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CCOCCN(C)C ZINC000336777718 177235734 /nfs/dbraw/zinc/23/57/34/177235734.db2.gz JIEFUJYDPPAGEF-RYUDHWBXSA-N 1 3 229.368 0.104 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CC[NH2+]1 ZINC000366551995 177308217 /nfs/dbraw/zinc/30/82/17/177308217.db2.gz BBJJDMGFSQMXCT-NAKRPEOUSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1C[NH3+] ZINC000331470083 177323344 /nfs/dbraw/zinc/32/33/44/177323344.db2.gz VYYFGUJGVNTYOS-QGKZMRNZSA-N 1 3 225.336 0.165 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000094647226 177394905 /nfs/dbraw/zinc/39/49/05/177394905.db2.gz IEZWQPCJFDCHAF-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000094648276 177395887 /nfs/dbraw/zinc/39/58/87/177395887.db2.gz KMIBQVPJOGPENJ-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1NCCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H]1C ZINC000262827699 177396885 /nfs/dbraw/zinc/39/68/85/177396885.db2.gz UJJTXRYHJQRMBA-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000493900431 226258961 /nfs/dbraw/zinc/25/89/61/226258961.db2.gz LYTXZHCGHVXMCU-QFOLPQNPSA-N 1 3 239.363 0.569 20 0 BCADHO C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC2)C1)[C@H](C)[NH3+] ZINC000493966383 226259381 /nfs/dbraw/zinc/25/93/81/226259381.db2.gz AGQBAYFGQSUNOF-SCVCMEIPSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000493966382 226259396 /nfs/dbraw/zinc/25/93/96/226259396.db2.gz AGQBAYFGQSUNOF-NHCYSSNCSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@@H](NCCOCCN(C)C)[C@H]1CCC[NH2+]1 ZINC000400438629 226343629 /nfs/dbraw/zinc/34/36/29/226343629.db2.gz LVOABESDBLMUGI-VXGBXAGGSA-N 1 3 229.368 0.295 20 0 BCADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400736002 226350710 /nfs/dbraw/zinc/35/07/10/226350710.db2.gz RSALLRSFYKULGN-GMXVVIOVSA-N 1 3 223.364 0.953 20 0 BCADHO CC(C)(O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335616219 487654093 /nfs/dbraw/zinc/65/40/93/487654093.db2.gz RHMMLOXETWAHKL-LBPRGKRZSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(O)C[N@@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335616219 487654101 /nfs/dbraw/zinc/65/41/01/487654101.db2.gz RHMMLOXETWAHKL-LBPRGKRZSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(O)C[N@H+]1CC[C@@]2(C1)CCCNC2 ZINC000335616219 487654103 /nfs/dbraw/zinc/65/41/03/487654103.db2.gz RHMMLOXETWAHKL-LBPRGKRZSA-N 1 3 212.337 0.833 20 0 BCADHO O[C@H](CN[C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000226087745 487656163 /nfs/dbraw/zinc/65/61/63/487656163.db2.gz NREYEYKDUKTLQO-UPJWGTAASA-N 1 3 242.363 0.336 20 0 BCADHO Cn1cncc1CCCN1CC[C@@H](C[NH3+])C1 ZINC000314865453 487669122 /nfs/dbraw/zinc/66/91/22/487669122.db2.gz JTZMVILYSVVTMD-NSHDSACASA-N 1 3 222.336 0.633 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CCCc2cncn2C)C1 ZINC000314866724 487669139 /nfs/dbraw/zinc/66/91/39/487669139.db2.gz JZLVEDUDOYSYQF-LBPRGKRZSA-N 1 3 236.363 0.894 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CC12CC2 ZINC000424376842 229160282 /nfs/dbraw/zinc/16/02/82/229160282.db2.gz PZDGPJYYCRYADI-MMWGEVLESA-N 1 3 210.321 0.881 20 0 BCADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424376842 229160284 /nfs/dbraw/zinc/16/02/84/229160284.db2.gz PZDGPJYYCRYADI-MMWGEVLESA-N 1 3 210.321 0.881 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CC12CC2 ZINC000424376844 229160325 /nfs/dbraw/zinc/16/03/25/229160325.db2.gz PZDGPJYYCRYADI-UKKRHICBSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424376844 229160329 /nfs/dbraw/zinc/16/03/29/229160329.db2.gz PZDGPJYYCRYADI-UKKRHICBSA-N 1 3 210.321 0.881 20 0 BCADHO C[NH+](C)C[C@]1(O)CCCN(CCCCO)C1 ZINC000639760521 487673484 /nfs/dbraw/zinc/67/34/84/487673484.db2.gz BJEJWRRQJNBZOR-GFCCVEGCSA-N 1 3 230.352 0.147 20 0 BCADHO CC(C)[C@H](CCO)NC[C@H](O)C[N@H+](C)C(C)C ZINC000384039966 487689668 /nfs/dbraw/zinc/68/96/68/487689668.db2.gz UWSBGFOYNOFCJY-STQMWFEESA-N 1 3 246.395 0.684 20 0 BCADHO CC(C)[C@H](CCO)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000384039966 487689673 /nfs/dbraw/zinc/68/96/73/487689673.db2.gz UWSBGFOYNOFCJY-STQMWFEESA-N 1 3 246.395 0.684 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050501 487696111 /nfs/dbraw/zinc/69/61/11/487696111.db2.gz DEQUSNLPMNBKSY-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050501 487696114 /nfs/dbraw/zinc/69/61/14/487696114.db2.gz DEQUSNLPMNBKSY-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO [NH3+]CCCN[C@@H]1COc2ccccc2C1 ZINC000328497093 487699706 /nfs/dbraw/zinc/69/97/06/487699706.db2.gz VHNSVLWOISGFBC-NSHDSACASA-N 1 3 206.289 0.929 20 0 BCADHO OCCC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000097817917 487703122 /nfs/dbraw/zinc/70/31/22/487703122.db2.gz GXBRVBQADMWHOZ-GFCCVEGCSA-N 1 3 242.363 0.195 20 0 BCADHO CN1CCC[C@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000669402958 487704719 /nfs/dbraw/zinc/70/47/19/487704719.db2.gz BYVXWGAZGSZYRD-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000669403140 487705522 /nfs/dbraw/zinc/70/55/22/487705522.db2.gz LNNXRIFHCDYQRB-GHMZBOCLSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403274 487705953 /nfs/dbraw/zinc/70/59/53/487705953.db2.gz QVVHTMINWHQHJV-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CC[NH2+]CCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403239 487706246 /nfs/dbraw/zinc/70/62/46/487706246.db2.gz PNIOFHLTCQUEFX-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCCNCC1 ZINC000088276199 487715759 /nfs/dbraw/zinc/71/57/59/487715759.db2.gz PCEKJHBHQZAAPZ-LBPRGKRZSA-N 1 3 241.379 0.819 20 0 BCADHO CN1CCC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772223 487730667 /nfs/dbraw/zinc/73/06/67/487730667.db2.gz UNNRPXKBNHUFIZ-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)([NH3+])CC(=O)NCCN1CCCCC1 ZINC000082772350 487731798 /nfs/dbraw/zinc/73/17/98/487731798.db2.gz SAXBZHGRWNOHGY-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N(C)C1CC1 ZINC000226398387 487734430 /nfs/dbraw/zinc/73/44/30/487734430.db2.gz SOUXLMIZMYMHKR-JLLWLGSASA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N(C)C ZINC000082921101 487753141 /nfs/dbraw/zinc/75/31/41/487753141.db2.gz CCDCVDHXVQJULN-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO CC(=O)N1CCC(N[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000401724589 487763265 /nfs/dbraw/zinc/76/32/65/487763265.db2.gz KUGDDPOLOYFDLV-MFKMUULPSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@H](CN[C@H](C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000668444998 487766568 /nfs/dbraw/zinc/76/65/68/487766568.db2.gz VEAABPVMXUIIHZ-FRRDWIJNSA-N 1 3 244.379 0.968 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@H](CN)C(F)(F)F ZINC000655505230 487770434 /nfs/dbraw/zinc/77/04/34/487770434.db2.gz TVCIJNPRTMZJHO-RXMQYKEDSA-N 1 3 227.230 0.120 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000662964458 487772485 /nfs/dbraw/zinc/77/24/85/487772485.db2.gz BMYDBRIWFIMMHP-CMPLNLGQSA-N 1 3 235.331 0.801 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000662965778 487774830 /nfs/dbraw/zinc/77/48/30/487774830.db2.gz NVCNRWFCQFOBON-MXWKQRLJSA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309211830 487779953 /nfs/dbraw/zinc/77/99/53/487779953.db2.gz SODDOZGTULRSPL-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309211830 487779954 /nfs/dbraw/zinc/77/99/54/487779954.db2.gz SODDOZGTULRSPL-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)(O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335616217 487798295 /nfs/dbraw/zinc/79/82/95/487798295.db2.gz RHMMLOXETWAHKL-GFCCVEGCSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(O)C[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335616217 487798302 /nfs/dbraw/zinc/79/83/02/487798302.db2.gz RHMMLOXETWAHKL-GFCCVEGCSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(O)C[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335616217 487798307 /nfs/dbraw/zinc/79/83/07/487798307.db2.gz RHMMLOXETWAHKL-GFCCVEGCSA-N 1 3 212.337 0.833 20 0 BCADHO CN1CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000234309631 487799306 /nfs/dbraw/zinc/79/93/06/487799306.db2.gz MMXSPJATNGRLJD-LBPRGKRZSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCN ZINC000414745108 487821425 /nfs/dbraw/zinc/82/14/25/487821425.db2.gz PBALKYKNSPEJLI-VWYCJHECSA-N 1 3 200.326 0.817 20 0 BCADHO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCN ZINC000414745108 487821429 /nfs/dbraw/zinc/82/14/29/487821429.db2.gz PBALKYKNSPEJLI-VWYCJHECSA-N 1 3 200.326 0.817 20 0 BCADHO CC[C@]1(CO)CCC[N@H+](CCCN)C1 ZINC000414752712 487821827 /nfs/dbraw/zinc/82/18/27/487821827.db2.gz CLTNPQTUPYSHPS-NSHDSACASA-N 1 3 200.326 0.820 20 0 BCADHO CC[C@]1(CO)CCC[N@@H+](CCCN)C1 ZINC000414752712 487821833 /nfs/dbraw/zinc/82/18/33/487821833.db2.gz CLTNPQTUPYSHPS-NSHDSACASA-N 1 3 200.326 0.820 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\CN(C)C ZINC000493239877 528829472 /nfs/dbraw/zinc/82/94/72/528829472.db2.gz ZXZGCWQEHJCURC-KRZKBDHCSA-N 1 3 241.379 0.949 20 0 BCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C\CN(C)C ZINC000493239877 528829475 /nfs/dbraw/zinc/82/94/75/528829475.db2.gz ZXZGCWQEHJCURC-KRZKBDHCSA-N 1 3 241.379 0.949 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103645 590284377 /nfs/dbraw/zinc/28/43/77/590284377.db2.gz XCSFCZPOAAGHLI-VGMNWLOBSA-N 1 3 201.314 0.165 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704849 487863055 /nfs/dbraw/zinc/86/30/55/487863055.db2.gz STFLCDFDCPZDFY-WCQYABFASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704849 487863059 /nfs/dbraw/zinc/86/30/59/487863059.db2.gz STFLCDFDCPZDFY-WCQYABFASA-N 1 3 239.363 0.572 20 0 BCADHO Cn1cncc1CN1CCC(CC[NH3+])CC1 ZINC000085170904 322961274 /nfs/dbraw/zinc/96/12/74/322961274.db2.gz BRYCCMZRPOMDEP-UHFFFAOYSA-N 1 3 222.336 0.981 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000569455637 322966799 /nfs/dbraw/zinc/96/67/99/322966799.db2.gz OMTDNCCTSFFJRQ-OPRDCNLKSA-N 1 3 213.325 0.213 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157800568 487921214 /nfs/dbraw/zinc/92/12/14/487921214.db2.gz RXSKOXKTZIQRGW-RYUDHWBXSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157800568 487921219 /nfs/dbraw/zinc/92/12/19/487921219.db2.gz RXSKOXKTZIQRGW-RYUDHWBXSA-N 1 3 237.347 0.481 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157772473 487921307 /nfs/dbraw/zinc/92/13/07/487921307.db2.gz YUKLHSKDBFGGAU-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157772473 487921312 /nfs/dbraw/zinc/92/13/12/487921312.db2.gz YUKLHSKDBFGGAU-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000417550315 487935095 /nfs/dbraw/zinc/93/50/95/487935095.db2.gz KZGFMTXNNRLKOE-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188754164 487949390 /nfs/dbraw/zinc/94/93/90/487949390.db2.gz VPNJJOLQFVLFAD-GXSJLCMTSA-N 1 3 243.326 0.287 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000188754164 487949395 /nfs/dbraw/zinc/94/93/95/487949395.db2.gz VPNJJOLQFVLFAD-GXSJLCMTSA-N 1 3 243.326 0.287 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000569574464 322970817 /nfs/dbraw/zinc/97/08/17/322970817.db2.gz DMFCGNQPADVTIQ-WDEREUQCSA-N 1 3 239.363 0.775 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000569603564 322972502 /nfs/dbraw/zinc/97/25/02/322972502.db2.gz RJSASJYUNOAJFW-VWYCJHECSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000561182740 322996622 /nfs/dbraw/zinc/99/66/22/322996622.db2.gz OOXYMJABYVCVGS-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449606211 323000716 /nfs/dbraw/zinc/00/07/16/323000716.db2.gz YEIRQCOGTXOHRF-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000566481883 323001230 /nfs/dbraw/zinc/00/12/30/323001230.db2.gz HNGTUVKRBQICQA-RWMBFGLXSA-N 1 3 244.379 0.879 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000566678754 323010273 /nfs/dbraw/zinc/01/02/73/323010273.db2.gz JLLMYQMDIYQLSH-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000566678754 323010274 /nfs/dbraw/zinc/01/02/74/323010274.db2.gz JLLMYQMDIYQLSH-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000565211995 323033687 /nfs/dbraw/zinc/03/36/87/323033687.db2.gz GKYSXDRUFVLHSC-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO N[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000569720831 323038629 /nfs/dbraw/zinc/03/86/29/323038629.db2.gz LOIZLHPWOXYDPJ-GXSJLCMTSA-N 1 3 225.336 0.230 20 0 BCADHO C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000570082160 323049275 /nfs/dbraw/zinc/04/92/75/323049275.db2.gz SAEGKPWNZXQTDF-CYZMBNFOSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H](N)C2CCC2)C1 ZINC000570165794 323051652 /nfs/dbraw/zinc/05/16/52/323051652.db2.gz CVBOTGPIEDJAPQ-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](N)C2CCC2)C1 ZINC000570165794 323051653 /nfs/dbraw/zinc/05/16/53/323051653.db2.gz CVBOTGPIEDJAPQ-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO [NH3+]CCC1CCN(CCN2CCCC2=O)CC1 ZINC000570403719 323058661 /nfs/dbraw/zinc/05/86/61/323058661.db2.gz SHHODKGJWNRCHW-UHFFFAOYSA-N 1 3 239.363 0.670 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000570570893 323063570 /nfs/dbraw/zinc/06/35/70/323063570.db2.gz JNYBEPOHZVZATO-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)[NH2+]CCCN[C@@H]1CN(C)C[C@H]1C ZINC000570918476 323074310 /nfs/dbraw/zinc/07/43/10/323074310.db2.gz PGJTZEDQVLDDFD-VXGBXAGGSA-N 1 3 213.369 0.914 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000562981446 323077869 /nfs/dbraw/zinc/07/78/69/323077869.db2.gz LYIFCZNSGCMAIH-MXWKQRLJSA-N 1 3 227.352 0.380 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000309815204 323082743 /nfs/dbraw/zinc/08/27/43/323082743.db2.gz VCRPGQDGARYNCS-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973560 323088793 /nfs/dbraw/zinc/08/87/93/323088793.db2.gz HVARXZHIGQUUED-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000563086895 323090674 /nfs/dbraw/zinc/09/06/74/323090674.db2.gz VBZYPGDHYVAGJH-SDDRHHMPSA-N 1 3 239.363 0.395 20 0 BCADHO N[C@@H](CC(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000563107048 323092773 /nfs/dbraw/zinc/09/27/73/323092773.db2.gz QZOFVCXROJCQQW-CHWSQXEVSA-N 1 3 247.342 0.506 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000563116843 323093315 /nfs/dbraw/zinc/09/33/15/323093315.db2.gz OMTDNCCTSFFJRQ-BBBLOLIVSA-N 1 3 213.325 0.213 20 0 BCADHO N[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000563116566 323093337 /nfs/dbraw/zinc/09/33/37/323093337.db2.gz JFWBVAGWQHWYPV-IEBDPFPHSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](N)C1CCC1 ZINC000563115751 323093463 /nfs/dbraw/zinc/09/34/63/323093463.db2.gz LSDBVLYQYNZEPL-UJNFCWOMSA-N 1 3 211.309 0.062 20 0 BCADHO CSCC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000563152917 323095917 /nfs/dbraw/zinc/09/59/17/323095917.db2.gz QNVRZGLRQRBZGB-VIFPVBQESA-N 1 3 247.408 0.510 20 0 BCADHO C[C@@H](C(=O)N(C)CCN(C)C1CC1)C1C[NH2+]C1 ZINC000571043948 323105088 /nfs/dbraw/zinc/10/50/88/323105088.db2.gz GOXMBVHKVULHAB-SNVBAGLBSA-N 1 3 239.363 0.395 20 0 BCADHO CC(C)(N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563339952 323119309 /nfs/dbraw/zinc/11/93/09/323119309.db2.gz XSYGLPKZYCHCIR-UHFFFAOYSA-N 1 3 213.325 0.311 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000563415760 323123489 /nfs/dbraw/zinc/12/34/89/323123489.db2.gz FXGAYOAYVWTRQJ-ONGXEEELSA-N 1 3 227.352 0.618 20 0 BCADHO N[C@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000563417361 323123712 /nfs/dbraw/zinc/12/37/12/323123712.db2.gz NUQWKNVGJAIZHO-CYBMUJFWSA-N 1 3 247.342 0.945 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000563529173 323129103 /nfs/dbraw/zinc/12/91/03/323129103.db2.gz RLNIKHJEYNPKBG-RWMBFGLXSA-N 1 3 244.379 0.846 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000563529173 323129104 /nfs/dbraw/zinc/12/91/04/323129104.db2.gz RLNIKHJEYNPKBG-RWMBFGLXSA-N 1 3 244.379 0.846 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000571083165 323135166 /nfs/dbraw/zinc/13/51/66/323135166.db2.gz GIFYVFBOUSSVAS-GXSJLCMTSA-N 1 3 215.341 0.748 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H](C)N1CCCC1 ZINC000161017237 323143150 /nfs/dbraw/zinc/14/31/50/323143150.db2.gz XLYZZWKODPQHEQ-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CCC(=O)N1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000571539642 323147636 /nfs/dbraw/zinc/14/76/36/323147636.db2.gz ZAYKYKOXNKMLGY-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000152327226 323176480 /nfs/dbraw/zinc/17/64/80/323176480.db2.gz WFNAPAKLWLVHNH-DRZSPHRISA-N 1 3 247.342 0.882 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000391624038 323179596 /nfs/dbraw/zinc/17/95/96/323179596.db2.gz VBXZJMSTKJWOEI-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000530182679 323205765 /nfs/dbraw/zinc/20/57/65/323205765.db2.gz YPGHXBGKMGGKTJ-RWMBFGLXSA-N 1 3 239.363 0.191 20 0 BCADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000530182679 323205766 /nfs/dbraw/zinc/20/57/66/323205766.db2.gz YPGHXBGKMGGKTJ-RWMBFGLXSA-N 1 3 239.363 0.191 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CCN1CCCN1CCOCC1 ZINC000565155141 323319841 /nfs/dbraw/zinc/31/98/41/323319841.db2.gz CPPOTINEAVZSFA-QWHCGFSZSA-N 1 3 241.379 0.520 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309265522 323337529 /nfs/dbraw/zinc/33/75/29/323337529.db2.gz CAQZMSANJVSYAK-ZJUUUORDSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000571683210 323346566 /nfs/dbraw/zinc/34/65/66/323346566.db2.gz GCWIPNJUJHAURL-CABZTGNLSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1 ZINC000571820414 323487158 /nfs/dbraw/zinc/48/71/58/323487158.db2.gz CJKNGIIIBYPJQE-HOSYDEDBSA-N 1 3 225.336 0.515 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNC3CC3)C[C@H]21 ZINC000571873581 323491325 /nfs/dbraw/zinc/49/13/25/323491325.db2.gz UVQLPCOOCOBHIO-MVWJERBFSA-N 1 3 237.347 0.324 20 0 BCADHO CC[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679613 487959364 /nfs/dbraw/zinc/95/93/64/487959364.db2.gz WXNPDKANTURVLC-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000572402453 323622487 /nfs/dbraw/zinc/62/24/87/323622487.db2.gz NIVXMZSJNUTESD-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@H](C(=O)NCCN(C)C)[C@H](C)[NH3+] ZINC000399483415 324080413 /nfs/dbraw/zinc/08/04/13/324080413.db2.gz CUIWLXIEXGVPSN-UWVGGRQHSA-N 1 3 215.341 0.284 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913249 487964937 /nfs/dbraw/zinc/96/49/37/487964937.db2.gz YOVOPUSCSUIOSH-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913249 487964943 /nfs/dbraw/zinc/96/49/43/487964943.db2.gz YOVOPUSCSUIOSH-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)N(C)C ZINC000542978265 325065579 /nfs/dbraw/zinc/06/55/79/325065579.db2.gz ZRPFNEGQTDQWCF-UHFFFAOYSA-N 1 3 230.356 0.093 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000132936986 325255036 /nfs/dbraw/zinc/25/50/36/325255036.db2.gz DIDCVDIMUICVEU-VXGBXAGGSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CCN1C ZINC000132973190 325257889 /nfs/dbraw/zinc/25/78/89/325257889.db2.gz OQVMXYUGNLLGJF-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCNc1cc[nH+]cc1 ZINC000566171717 326005925 /nfs/dbraw/zinc/00/59/25/326005925.db2.gz QPIVDNCMSXHCCW-LLVKDONJSA-N 1 3 236.319 0.015 20 0 BCADHO CC(C)(C[NH3+])C(=O)NCCNc1ccncc1 ZINC000566171682 326006161 /nfs/dbraw/zinc/00/61/61/326006161.db2.gz JYALXKCVEOLHNL-UHFFFAOYSA-N 1 3 236.319 0.017 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000566201704 326012033 /nfs/dbraw/zinc/01/20/33/326012033.db2.gz YAWBHQBZIZJHFC-UWVGGRQHSA-N 1 3 225.336 0.454 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000566207627 326013730 /nfs/dbraw/zinc/01/37/30/326013730.db2.gz FHSKYVFKPNVNPY-UTLUCORTSA-N 1 3 245.392 0.263 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000566207537 326013889 /nfs/dbraw/zinc/01/38/89/326013889.db2.gz FHSKYVFKPNVNPY-AEJSXWLSSA-N 1 3 245.392 0.263 20 0 BCADHO O=C(CNC1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000566214647 326015069 /nfs/dbraw/zinc/01/50/69/326015069.db2.gz WMKGPOKRPJTYAS-PHIMTYICSA-N 1 3 237.347 0.196 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000566244582 326022581 /nfs/dbraw/zinc/02/25/81/326022581.db2.gz YZHLWYIYQWFAHU-JGVFFNPUSA-N 1 3 235.278 0.179 20 0 BCADHO C[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000566249303 326024298 /nfs/dbraw/zinc/02/42/98/326024298.db2.gz RDEUHLZIBKJSDE-VXNVDRBHSA-N 1 3 234.303 0.183 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566252113 326024763 /nfs/dbraw/zinc/02/47/63/326024763.db2.gz GQHVVPSWWVCJHG-IJLUTSLNSA-N 1 3 237.347 0.196 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000566412406 326040986 /nfs/dbraw/zinc/04/09/86/326040986.db2.gz VVXJQGGKRWRZRQ-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000566412408 326041525 /nfs/dbraw/zinc/04/15/25/326041525.db2.gz VVXJQGGKRWRZRQ-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000566551349 326063362 /nfs/dbraw/zinc/06/33/62/326063362.db2.gz RMBWKUFHDRSXQH-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H]1CCCCN1CCNC(=O)[C@H](C)[NH2+]C ZINC000566571829 326065309 /nfs/dbraw/zinc/06/53/09/326065309.db2.gz JZDMNQSSRXMXKI-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739977 326079152 /nfs/dbraw/zinc/07/91/52/326079152.db2.gz LASWGRCEEFISKT-MWGHHZFTSA-N 1 3 237.347 0.323 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)NCCNc1ccncc1 ZINC000566852973 326087920 /nfs/dbraw/zinc/08/79/20/326087920.db2.gz SNKRGRBVDRDZPE-GFCCVEGCSA-N 1 3 248.330 0.174 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000566913068 326093598 /nfs/dbraw/zinc/09/35/98/326093598.db2.gz PKVSANCNXFNQLS-NHCYSSNCSA-N 1 3 237.347 0.337 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404880397 326102056 /nfs/dbraw/zinc/10/20/56/326102056.db2.gz JDESXNBBZXPWAF-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000567061197 326108072 /nfs/dbraw/zinc/10/80/72/326108072.db2.gz PHBYMORHFKZMNQ-VIFPVBQESA-N 1 3 213.325 0.147 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567108375 326117050 /nfs/dbraw/zinc/11/70/50/326117050.db2.gz KNOGCDBRFPOZQI-OUAUKWLOSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354092 326172061 /nfs/dbraw/zinc/17/20/61/326172061.db2.gz XAQWVDNWXXWZMI-YFKTTZPYSA-N 1 3 239.363 0.522 20 0 BCADHO C[NH2+]CCC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000567353619 326172603 /nfs/dbraw/zinc/17/26/03/326172603.db2.gz BKERZOAJIMCYPC-ZDUSSCGKSA-N 1 3 247.342 0.681 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000567406973 326184551 /nfs/dbraw/zinc/18/45/51/326184551.db2.gz YCRJFLMGRYPHMV-UWVGGRQHSA-N 1 3 213.325 0.243 20 0 BCADHO CCC[C@@H](C(=O)NCC[N@H+](C)CC)N(C)C ZINC000155882042 326213652 /nfs/dbraw/zinc/21/36/52/326213652.db2.gz SZRBUJDTSPCUBO-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CCC[C@@H](C(=O)NCC[N@@H+](C)CC)N(C)C ZINC000155882042 326213653 /nfs/dbraw/zinc/21/36/53/326213653.db2.gz SZRBUJDTSPCUBO-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO COC[C@@H](C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000310250759 326188325 /nfs/dbraw/zinc/18/83/25/326188325.db2.gz NZJXIZZAWVUTME-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000567505068 326206751 /nfs/dbraw/zinc/20/67/51/326206751.db2.gz LFXSQZYDIZCPQQ-VWYCJHECSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000567655662 326239891 /nfs/dbraw/zinc/23/98/91/326239891.db2.gz KWOWLNMCJRHNEM-IRCOFANPSA-N 1 3 239.363 0.631 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000567731996 326252818 /nfs/dbraw/zinc/25/28/18/326252818.db2.gz JFJCUMKNTSPVDC-WCQYABFASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000567834640 326266102 /nfs/dbraw/zinc/26/61/02/326266102.db2.gz QTMFYODHYVFKOO-CMPLNLGQSA-N 1 3 235.331 0.930 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000567833977 326266232 /nfs/dbraw/zinc/26/62/32/326266232.db2.gz RJLFLKIRVAZUFM-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000567846456 326268998 /nfs/dbraw/zinc/26/89/98/326268998.db2.gz CGHSZIONICYXPM-HBNTYKKESA-N 1 3 227.352 0.413 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000567907875 326281300 /nfs/dbraw/zinc/28/13/00/326281300.db2.gz DGGWBGBMYRMYQO-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567925536 326284176 /nfs/dbraw/zinc/28/41/76/326284176.db2.gz OASMBNLCYJVDEP-JLIMGVALSA-N 1 3 215.341 0.602 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@@H]1CSCCN1 ZINC000567925611 326284315 /nfs/dbraw/zinc/28/43/15/326284315.db2.gz PDXAJSREPFPMBF-LPEHRKFASA-N 1 3 245.392 0.324 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000567926252 326284474 /nfs/dbraw/zinc/28/44/74/326284474.db2.gz DRHOVVLZKQJHAN-UTINFBMNSA-N 1 3 213.325 0.165 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CO)[C@H]1C ZINC000568181188 326321459 /nfs/dbraw/zinc/32/14/59/326321459.db2.gz MZCXNXPJVVAYNQ-UPJWGTAASA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CO)[C@H]1C ZINC000568181188 326321461 /nfs/dbraw/zinc/32/14/61/326321461.db2.gz MZCXNXPJVVAYNQ-UPJWGTAASA-N 1 3 244.379 0.392 20 0 BCADHO CN[C@@H](C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000568231481 326330525 /nfs/dbraw/zinc/33/05/25/326330525.db2.gz VNSMTGDBRJBKNN-VIFPVBQESA-N 1 3 221.304 0.952 20 0 BCADHO CCN1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)CC1=O ZINC000568499514 326359685 /nfs/dbraw/zinc/35/96/85/326359685.db2.gz KKJXHBNNHPUOGS-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000568509336 326361152 /nfs/dbraw/zinc/36/11/52/326361152.db2.gz LUSBHHXBDUKMBD-KOLCDFICSA-N 1 3 221.304 0.540 20 0 BCADHO FC(F)[C@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC000568512137 326361281 /nfs/dbraw/zinc/36/12/81/326361281.db2.gz IPWLQEWEWLRMED-GHMZBOCLSA-N 1 3 247.333 0.915 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000568869401 326380468 /nfs/dbraw/zinc/38/04/68/326380468.db2.gz ZMLYDHBTEYQVGX-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000568869401 326380469 /nfs/dbraw/zinc/38/04/69/326380469.db2.gz ZMLYDHBTEYQVGX-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000568879352 326380958 /nfs/dbraw/zinc/38/09/58/326380958.db2.gz XOIOFOHYCSBEKW-NXEZZACHSA-N 1 3 227.352 0.522 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000568900722 326382156 /nfs/dbraw/zinc/38/21/56/326382156.db2.gz DHQWVAOAUYNQRJ-VIFPVBQESA-N 1 3 213.325 0.147 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000569105957 326390342 /nfs/dbraw/zinc/39/03/42/326390342.db2.gz DFWHCWPBYBRLAT-UKKRHICBSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000569105958 326390536 /nfs/dbraw/zinc/39/05/36/326390536.db2.gz DFWHCWPBYBRLAT-ZNSHCXBVSA-N 1 3 225.336 0.323 20 0 BCADHO C(CN1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000569104815 326390541 /nfs/dbraw/zinc/39/05/41/326390541.db2.gz YSQRDEIVZCVMLV-OLZOCXBDSA-N 1 3 239.363 0.002 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569116995 326391023 /nfs/dbraw/zinc/39/10/23/326391023.db2.gz FFAHTYCPGVKETN-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000569124523 326392131 /nfs/dbraw/zinc/39/21/31/326392131.db2.gz UUAYCROXSKJJNW-VWYCJHECSA-N 1 3 229.368 0.815 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000158869429 487981134 /nfs/dbraw/zinc/98/11/34/487981134.db2.gz GGIAELCFSFAUDJ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@]1(C(=O)N2CCCNCC2)CCC[NH2+]C1 ZINC000062853862 487998197 /nfs/dbraw/zinc/99/81/97/487998197.db2.gz QPAIILWOGYPWAB-LBPRGKRZSA-N 1 3 225.336 0.198 20 0 BCADHO NC1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000309640310 488004400 /nfs/dbraw/zinc/00/44/00/488004400.db2.gz ULGHDLHLYJSFEX-VIFPVBQESA-N 1 3 211.309 0.065 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CC(C)(C)[NH3+])C1 ZINC000084420009 488051438 /nfs/dbraw/zinc/05/14/38/488051438.db2.gz JXXAFGAEMKFSPE-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491123 488052158 /nfs/dbraw/zinc/05/21/58/488052158.db2.gz MPZVWGPWMMMPKE-KOLCDFICSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000221693044 488055023 /nfs/dbraw/zinc/05/50/23/488055023.db2.gz QFQFANPDXCNXMS-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969765 488074430 /nfs/dbraw/zinc/07/44/30/488074430.db2.gz YGQZMLCAPAZOAJ-YNEHKIRRSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969765 488074432 /nfs/dbraw/zinc/07/44/32/488074432.db2.gz YGQZMLCAPAZOAJ-YNEHKIRRSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969764 488074304 /nfs/dbraw/zinc/07/43/04/488074304.db2.gz YGQZMLCAPAZOAJ-XQQFMLRXSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401969764 488074306 /nfs/dbraw/zinc/07/43/06/488074306.db2.gz YGQZMLCAPAZOAJ-XQQFMLRXSA-N 1 3 244.379 0.390 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000389150292 488078498 /nfs/dbraw/zinc/07/84/98/488078498.db2.gz JFOAAVXAXUYPQT-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000389169807 488079640 /nfs/dbraw/zinc/07/96/40/488079640.db2.gz NNACNANAMJMRME-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236691817 488081830 /nfs/dbraw/zinc/08/18/30/488081830.db2.gz GQZSBDHBMXWYTC-LLVKDONJSA-N 1 3 227.352 0.557 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000389428795 488095691 /nfs/dbraw/zinc/09/56/91/488095691.db2.gz XNCPAYGUFAVWNL-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000389428795 488095693 /nfs/dbraw/zinc/09/56/93/488095693.db2.gz XNCPAYGUFAVWNL-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000389437366 488096058 /nfs/dbraw/zinc/09/60/58/488096058.db2.gz MXLRDVYYPUVTHL-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000092955082 488105189 /nfs/dbraw/zinc/10/51/89/488105189.db2.gz TUSVDVPRONYMLT-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000092955081 488104624 /nfs/dbraw/zinc/10/46/24/488104624.db2.gz TUSVDVPRONYMLT-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000669509605 488109841 /nfs/dbraw/zinc/10/98/41/488109841.db2.gz HHTHMJYGHGNZCL-UTUOFQBUSA-N 1 3 239.363 0.633 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509435 488110312 /nfs/dbraw/zinc/11/03/12/488110312.db2.gz DWGJDRMYDMHGOS-ZYHUDNBSSA-N 1 3 227.352 0.762 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510311 488112173 /nfs/dbraw/zinc/11/21/73/488112173.db2.gz CCIPRPFLJWKLTD-NSHDSACASA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000669510455 488112733 /nfs/dbraw/zinc/11/27/33/488112733.db2.gz LSBQSZRYILNZGJ-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)([NH3+])CC(=O)NC[C@@H](N)c1ccccc1 ZINC000669510641 488113392 /nfs/dbraw/zinc/11/33/92/488113392.db2.gz DBYQDLFOKAATLH-LLVKDONJSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@]1(C(=O)NC[C@H](N)c2ccccc2)CCC[NH2+]1 ZINC000669510721 488113512 /nfs/dbraw/zinc/11/35/12/488113512.db2.gz XNFSXEFUJPRAGB-GXTWGEPZSA-N 1 3 247.342 0.945 20 0 BCADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403140654 488115780 /nfs/dbraw/zinc/11/57/80/488115780.db2.gz CZEHFZNSZYKZBT-WISYIIOYSA-N 1 3 212.337 0.674 20 0 BCADHO CN(CCC[NH3+])C(=O)C[C@@H](N)c1ccccc1 ZINC000669511937 488117003 /nfs/dbraw/zinc/11/70/03/488117003.db2.gz OAMAJHGBVOPMDH-GFCCVEGCSA-N 1 3 235.331 0.884 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNCC1(C)C ZINC000669512452 488118683 /nfs/dbraw/zinc/11/86/83/488118683.db2.gz XWFYYBCSGNQKPA-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCNCC1(C)C ZINC000669512398 488118905 /nfs/dbraw/zinc/11/89/05/488118905.db2.gz OUWYCYHTDWHJLP-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1CN(C(=O)CC2([NH3+])CCC2)[C@@H](C)CN1 ZINC000669513557 488121731 /nfs/dbraw/zinc/12/17/31/488121731.db2.gz JDIHFHLQHXPHIZ-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514757 488124095 /nfs/dbraw/zinc/12/40/95/488124095.db2.gz FXHOPNPRUMHKNB-UTUOFQBUSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CCN1 ZINC000669514880 488124406 /nfs/dbraw/zinc/12/44/06/488124406.db2.gz OQURFPHYEZVMQM-GRYCIOLGSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000669517948 488128675 /nfs/dbraw/zinc/12/86/75/488128675.db2.gz ZXVXHHVYIKTQAF-NWDGAFQWSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000669517730 488129371 /nfs/dbraw/zinc/12/93/71/488129371.db2.gz HJNNTAWHSUSNCI-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CNC1CC1 ZINC000669518628 488130538 /nfs/dbraw/zinc/13/05/38/488130538.db2.gz URTCNVXDGJFLKM-VDDIYKPWSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@H](CO)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000121223099 490080408 /nfs/dbraw/zinc/08/04/08/490080408.db2.gz SXPAQFVATODHLQ-LBPRGKRZSA-N 1 3 235.331 0.832 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662236174 487470973 /nfs/dbraw/zinc/47/09/73/487470973.db2.gz VAGSTUBRHJYTSU-SDDRHHMPSA-N 1 3 227.352 0.177 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000653275183 487491346 /nfs/dbraw/zinc/49/13/46/487491346.db2.gz YNLJDIRTTFVDDC-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808883 487507862 /nfs/dbraw/zinc/50/78/62/487507862.db2.gz QNXVJQNQPJJPIU-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808883 487507865 /nfs/dbraw/zinc/50/78/65/487507865.db2.gz QNXVJQNQPJJPIU-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808885 487507880 /nfs/dbraw/zinc/50/78/80/487507880.db2.gz QNXVJQNQPJJPIU-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808885 487507884 /nfs/dbraw/zinc/50/78/84/487507884.db2.gz QNXVJQNQPJJPIU-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161651672 487508342 /nfs/dbraw/zinc/50/83/42/487508342.db2.gz KCOBAGYGJZXEGU-QWRGUYRKSA-N 1 3 227.352 0.713 20 0 BCADHO CN(CCC[NH3+])C(=O)C1(N)CCCCC1 ZINC000381751358 487521357 /nfs/dbraw/zinc/52/13/57/487521357.db2.gz RHCBLDZSIRBUQW-UHFFFAOYSA-N 1 3 213.325 0.455 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236764325 488147749 /nfs/dbraw/zinc/14/77/49/488147749.db2.gz NWVMCYOKKCUWMQ-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000162049535 487534698 /nfs/dbraw/zinc/53/46/98/487534698.db2.gz ZMIHDILHYZNGMA-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085373108 488164362 /nfs/dbraw/zinc/16/43/62/488164362.db2.gz CDJWIPIFSPDBAK-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000309217114 488059529 /nfs/dbraw/zinc/05/95/29/488059529.db2.gz FTIXDVQEPJEFGR-NWDGAFQWSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H]1CO ZINC000309217114 488059534 /nfs/dbraw/zinc/05/95/34/488059534.db2.gz FTIXDVQEPJEFGR-NWDGAFQWSA-N 1 3 230.352 0.144 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCSC[C@H](C)C1 ZINC000379446766 488137466 /nfs/dbraw/zinc/13/74/66/488137466.db2.gz XSPOOWFQSPHWEG-VXGBXAGGSA-N 1 3 246.420 0.984 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCSC[C@H](C)C1 ZINC000379446766 488137469 /nfs/dbraw/zinc/13/74/69/488137469.db2.gz XSPOOWFQSPHWEG-VXGBXAGGSA-N 1 3 246.420 0.984 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2ccnn2C)C1 ZINC000230775573 488156822 /nfs/dbraw/zinc/15/68/22/488156822.db2.gz FZHIHBBOYKWGGQ-MNOVXSKESA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H]1NCCN(C(=O)CC(C)(C)[NH3+])[C@H]1C ZINC000390526921 488164200 /nfs/dbraw/zinc/16/42/00/488164200.db2.gz HBWBYLQRMGPDCH-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)CO ZINC000380042020 488169562 /nfs/dbraw/zinc/16/95/62/488169562.db2.gz UQMJPBZJBDSDSE-GHMZBOCLSA-N 1 3 218.341 0.000 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)CO ZINC000380042020 488169565 /nfs/dbraw/zinc/16/95/65/488169565.db2.gz UQMJPBZJBDSDSE-GHMZBOCLSA-N 1 3 218.341 0.000 20 0 BCADHO CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322363035 488182995 /nfs/dbraw/zinc/18/29/95/488182995.db2.gz BSZQWOYYFYUDIJ-HUAZRZQGSA-N 1 3 225.336 0.465 20 0 BCADHO CC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322363035 488182999 /nfs/dbraw/zinc/18/29/99/488182999.db2.gz BSZQWOYYFYUDIJ-HUAZRZQGSA-N 1 3 225.336 0.465 20 0 BCADHO CNC(=O)[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000299963138 488195591 /nfs/dbraw/zinc/19/55/91/488195591.db2.gz VJDFQPGMRPFVAZ-WDEREUQCSA-N 1 3 225.336 0.054 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CCN1C ZINC000398073943 488207508 /nfs/dbraw/zinc/20/75/08/488207508.db2.gz AVAUGHRBQPFWQP-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO c1cc2n(n1)C[C@@H](CN1C[C@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202700 488275976 /nfs/dbraw/zinc/27/59/76/488275976.db2.gz XUKIOGYQOKAFRY-UTUOFQBUSA-N 1 3 247.346 0.076 20 0 BCADHO CCC[NH+]1CCC(NC[C@@H]2CCC(=O)N2)CC1 ZINC000079928954 490128204 /nfs/dbraw/zinc/12/82/04/490128204.db2.gz AEDIDYWJWRKRFD-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000662967293 490246616 /nfs/dbraw/zinc/24/66/16/490246616.db2.gz ZHVPOULPYPFIMZ-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000070941764 490250567 /nfs/dbraw/zinc/25/05/67/490250567.db2.gz QZJJEUNFTYMBBX-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C([C@H]1CCSC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000300230659 490552589 /nfs/dbraw/zinc/55/25/89/490552589.db2.gz CCFGJHWGJNKRNF-VWYCJHECSA-N 1 3 212.362 0.891 20 0 BCADHO C[NH+](C)C/C=C\C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000491849942 491080870 /nfs/dbraw/zinc/08/08/70/491080870.db2.gz XALZESZJGYBWOV-BYCRGOAPSA-N 1 3 237.347 0.457 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000662823596 491115597 /nfs/dbraw/zinc/11/55/97/491115597.db2.gz UDCDQGHGSKKZCD-DTWKUNHWSA-N 1 3 201.314 0.226 20 0 BCADHO NC1(C(=O)NCCC2(C[NH3+])CC2)CCCCC1 ZINC000653215711 491128445 /nfs/dbraw/zinc/12/84/45/491128445.db2.gz XWKMJCCHKZJOOR-UHFFFAOYSA-N 1 3 239.363 0.893 20 0 BCADHO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000666184250 491131812 /nfs/dbraw/zinc/13/18/12/491131812.db2.gz AYTFDHNTCOOMMT-WCFLWFBJSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@H]1C[C@H](NCCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209266 491134786 /nfs/dbraw/zinc/13/47/86/491134786.db2.gz MYAGVJIDDSEIBY-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H]1C[C@H](NCCC(=O)N(C)C)CC[N@H+]1C ZINC000132209266 491134787 /nfs/dbraw/zinc/13/47/87/491134787.db2.gz MYAGVJIDDSEIBY-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH+](C)C[C@@](C)(O)CNc1ccnc(CO)c1 ZINC000858456343 582460924 /nfs/dbraw/zinc/46/09/24/582460924.db2.gz GBXNRGHGZNEUNJ-LBPRGKRZSA-N 1 3 239.319 0.298 20 0 BCADHO C[C@@H](CC[N@H+](C)CCCO)N(C)CCCO ZINC000440943600 582497041 /nfs/dbraw/zinc/49/70/41/582497041.db2.gz ZBNSZOBWDKVHES-LBPRGKRZSA-N 1 3 232.368 0.393 20 0 BCADHO C[C@@H](CC[N@@H+](C)CCCO)N(C)CCCO ZINC000440943600 582497043 /nfs/dbraw/zinc/49/70/43/582497043.db2.gz ZBNSZOBWDKVHES-LBPRGKRZSA-N 1 3 232.368 0.393 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261911481 535491270 /nfs/dbraw/zinc/49/12/70/535491270.db2.gz XPUNPYOEECTUDB-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262949927 535493155 /nfs/dbraw/zinc/49/31/55/535493155.db2.gz VIXVUCMTGCXCNH-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](NCCOCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000400438628 533859143 /nfs/dbraw/zinc/85/91/43/533859143.db2.gz LVOABESDBLMUGI-RYUDHWBXSA-N 1 3 229.368 0.295 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCCN1C ZINC000892274413 582824898 /nfs/dbraw/zinc/82/48/98/582824898.db2.gz QKVZAIHINBYQHR-HBNTYKKESA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N(C)C ZINC000262590177 534898734 /nfs/dbraw/zinc/89/87/34/534898734.db2.gz QUAMEKJSVMJLFZ-VXGBXAGGSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000262543961 534900915 /nfs/dbraw/zinc/90/09/15/534900915.db2.gz YNCVCFFLPPRNBW-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000484693673 528355712 /nfs/dbraw/zinc/35/57/12/528355712.db2.gz HWMLFGWYIYLFQT-SRVKXCTJSA-N 1 3 241.379 0.768 20 0 BCADHO C[C@H]1NCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H]1C ZINC000892568525 582915416 /nfs/dbraw/zinc/91/54/16/582915416.db2.gz VOBARFZEAFFASN-GWOFURMSSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000493654558 528825563 /nfs/dbraw/zinc/82/55/63/528825563.db2.gz ZXZGCWQEHJCURC-QDZRJHCZSA-N 1 3 241.379 0.949 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000493654558 528825565 /nfs/dbraw/zinc/82/55/65/528825565.db2.gz ZXZGCWQEHJCURC-QDZRJHCZSA-N 1 3 241.379 0.949 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/CN(C)C ZINC000493239873 528829142 /nfs/dbraw/zinc/82/91/42/528829142.db2.gz ZXZGCWQEHJCURC-GUOLPTJISA-N 1 3 241.379 0.949 20 0 BCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C/CN(C)C ZINC000493239873 528829149 /nfs/dbraw/zinc/82/91/49/528829149.db2.gz ZXZGCWQEHJCURC-GUOLPTJISA-N 1 3 241.379 0.949 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494872673 528969932 /nfs/dbraw/zinc/96/99/32/528969932.db2.gz HDJMSUZWDAPDNN-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179050629 534995305 /nfs/dbraw/zinc/99/53/05/534995305.db2.gz JRCNCWSJMJWWDY-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000261806445 535323624 /nfs/dbraw/zinc/32/36/24/535323624.db2.gz MFZBVDHPIVWYML-QJPTWQEYSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@H](C(=O)NC1CC[NH2+]CC1)N(C)C ZINC000262494704 535325783 /nfs/dbraw/zinc/32/57/83/535325783.db2.gz BQPDSLKPMRKQIG-LLVKDONJSA-N 1 3 227.352 0.441 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261929263 535480711 /nfs/dbraw/zinc/48/07/11/535480711.db2.gz YRZLHLMXRNVANT-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335957371 535534864 /nfs/dbraw/zinc/53/48/64/535534864.db2.gz BVEKVPGOWGMCNT-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335957371 535534868 /nfs/dbraw/zinc/53/48/68/535534868.db2.gz BVEKVPGOWGMCNT-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000250364601 535572748 /nfs/dbraw/zinc/57/27/48/535572748.db2.gz UNJCFRKZNNDVCV-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261735437 536340896 /nfs/dbraw/zinc/34/08/96/536340896.db2.gz LITXLZDYFQMRQU-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000334376946 536345442 /nfs/dbraw/zinc/34/54/42/536345442.db2.gz FQDTVHXAQPNHOQ-GFCCVEGCSA-N 1 3 234.347 0.951 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336004715 536410754 /nfs/dbraw/zinc/41/07/54/536410754.db2.gz QHOGWFSZBGYATF-BQBZGAKWSA-N 1 3 239.241 0.086 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)COCCOC)C1 ZINC000892612921 582929528 /nfs/dbraw/zinc/92/95/28/582929528.db2.gz GJWCHJKJCYGLPW-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)COCCOC)C1 ZINC000892612921 582929531 /nfs/dbraw/zinc/92/95/31/582929531.db2.gz GJWCHJKJCYGLPW-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@H](C)COCCOC)C1 ZINC000892612921 582929532 /nfs/dbraw/zinc/92/95/32/582929532.db2.gz GJWCHJKJCYGLPW-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO COC(=O)[C@H](C)CN(C)C[C@H]1CCC[NH2+]C1 ZINC000261532458 536603432 /nfs/dbraw/zinc/60/34/32/536603432.db2.gz BWVILGDTDLKLMI-MNOVXSKESA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@H](C)C[N@H+](C)C[C@H]1CCCNC1 ZINC000261532458 536603439 /nfs/dbraw/zinc/60/34/39/536603439.db2.gz BWVILGDTDLKLMI-MNOVXSKESA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@H](C)C[N@@H+](C)C[C@H]1CCCNC1 ZINC000261532458 536603445 /nfs/dbraw/zinc/60/34/45/536603445.db2.gz BWVILGDTDLKLMI-MNOVXSKESA-N 1 3 228.336 0.727 20 0 BCADHO C[C@H]1CN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000892852071 582996907 /nfs/dbraw/zinc/99/69/07/582996907.db2.gz ZXZOPGJKGWMGOF-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000854228316 588780858 /nfs/dbraw/zinc/78/08/58/588780858.db2.gz VANJCNZEEVNBBV-DTWKUNHWSA-N 1 3 215.297 0.154 20 0 BCADHO C[NH2+]C[C@H](C)NC1CCC2(CC1)OCCO2 ZINC000854232820 588781535 /nfs/dbraw/zinc/78/15/35/588781535.db2.gz UZEGEXYMIKZZSL-JTQLQIEISA-N 1 3 228.336 0.870 20 0 BCADHO CCCNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000112800780 588817239 /nfs/dbraw/zinc/81/72/39/588817239.db2.gz BNXLLKQYSSZWQB-SNVBAGLBSA-N 1 3 212.341 0.995 20 0 BCADHO CN(C)CCN1CCC[C@]12CCC[NH2+]C2 ZINC000757129207 582504582 /nfs/dbraw/zinc/50/45/82/582504582.db2.gz KXSHKPDKNRCDPS-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO CCN(CC)C(=[NH2+])NCCNc1ccncc1 ZINC000848995266 582820754 /nfs/dbraw/zinc/82/07/54/582820754.db2.gz OBLJAFUKSSKURS-UHFFFAOYSA-N 1 3 235.335 0.782 20 0 BCADHO COCCOC[C@H](C)NCCC[NH+](C)C ZINC000892429845 582885660 /nfs/dbraw/zinc/88/56/60/582885660.db2.gz RWTKRSKYFYNWCA-NSHDSACASA-N 1 3 218.341 0.579 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892614508 582930183 /nfs/dbraw/zinc/93/01/83/582930183.db2.gz QWBAFPOKXFTCOO-ZYHUDNBSSA-N 1 3 228.336 0.869 20 0 BCADHO O=C([C@@H]1[NH2+]CC12CCCC2)N1CCCNCC1 ZINC000852826756 583018247 /nfs/dbraw/zinc/01/82/47/583018247.db2.gz XOIAEOLMSXAZHX-NSHDSACASA-N 1 3 237.347 0.341 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852864270 583021443 /nfs/dbraw/zinc/02/14/43/583021443.db2.gz QROOERNIMHCFPU-ZYHUDNBSSA-N 1 3 243.326 0.289 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000893694481 583202329 /nfs/dbraw/zinc/20/23/29/583202329.db2.gz VSISALBFKZOPCZ-CYBMUJFWSA-N 1 3 249.362 0.867 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC000893694481 583202330 /nfs/dbraw/zinc/20/23/30/583202330.db2.gz VSISALBFKZOPCZ-CYBMUJFWSA-N 1 3 249.362 0.867 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@H]2COCCO2)CC1(C)C ZINC000858100890 583214873 /nfs/dbraw/zinc/21/48/73/583214873.db2.gz QZMVEKFJSHHAJT-RYUDHWBXSA-N 1 3 242.363 0.864 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@H]2COCCO2)CC1(C)C ZINC000858100890 583214875 /nfs/dbraw/zinc/21/48/75/583214875.db2.gz QZMVEKFJSHHAJT-RYUDHWBXSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H](C[NH+](C)C)Nc1ccncc1CO ZINC000893857326 583233624 /nfs/dbraw/zinc/23/36/24/583233624.db2.gz NFOWCKHQYAOARP-VIFPVBQESA-N 1 3 209.293 0.358 20 0 BCADHO C[N@@H+]1CC[C@H](NCCn2cncn2)CC1(C)C ZINC000858112666 583245916 /nfs/dbraw/zinc/24/59/16/583245916.db2.gz QXMRWXKNLQHYHL-NSHDSACASA-N 1 3 237.351 0.741 20 0 BCADHO C[N@H+]1CC[C@H](NCCn2cncn2)CC1(C)C ZINC000858112666 583245918 /nfs/dbraw/zinc/24/59/18/583245918.db2.gz QXMRWXKNLQHYHL-NSHDSACASA-N 1 3 237.351 0.741 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877242992 583304775 /nfs/dbraw/zinc/30/47/75/583304775.db2.gz KHTREEAJRYFYES-CHWFTXMASA-N 1 3 225.336 0.228 20 0 BCADHO CCCCN(CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788011155 583349837 /nfs/dbraw/zinc/34/98/37/583349837.db2.gz DQPSRGIRAWPBEO-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C[C@@H]1C[NH3+] ZINC000841857259 583438703 /nfs/dbraw/zinc/43/87/03/583438703.db2.gz SONJYSRJRNCDAG-JFGNBEQYSA-N 1 3 243.326 0.131 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000894519229 583477022 /nfs/dbraw/zinc/47/70/22/583477022.db2.gz GHJKQKKKXCKXOI-LBPRGKRZSA-N 1 3 239.363 0.526 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000894519229 583477023 /nfs/dbraw/zinc/47/70/23/583477023.db2.gz GHJKQKKKXCKXOI-LBPRGKRZSA-N 1 3 239.363 0.526 20 0 BCADHO CCCN(CC(N)=O)CC1CC[NH+](C)CC1 ZINC000894592846 583491789 /nfs/dbraw/zinc/49/17/89/583491789.db2.gz NWTJRCGNDPDKNH-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2COCO2)CC1 ZINC000894878805 583543212 /nfs/dbraw/zinc/54/32/12/583543212.db2.gz IYJVANMKGCHECZ-LLVKDONJSA-N 1 3 214.309 0.433 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H]1NCCCC1(C)C ZINC000417799843 583612696 /nfs/dbraw/zinc/61/26/96/583612696.db2.gz RXIUWCZCXBQLAG-GHMZBOCLSA-N 1 3 241.379 0.736 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000895927417 583748558 /nfs/dbraw/zinc/74/85/58/583748558.db2.gz KKSXNMMZHSVFLI-BETUJISGSA-N 1 3 224.348 0.906 20 0 BCADHO CN1CCC(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000895927417 583748559 /nfs/dbraw/zinc/74/85/59/583748559.db2.gz KKSXNMMZHSVFLI-BETUJISGSA-N 1 3 224.348 0.906 20 0 BCADHO CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000729687088 584023065 /nfs/dbraw/zinc/02/30/65/584023065.db2.gz QKTOXJSZLQOBTA-NWDGAFQWSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729687088 584023066 /nfs/dbraw/zinc/02/30/66/584023066.db2.gz QKTOXJSZLQOBTA-NWDGAFQWSA-N 1 3 241.379 0.641 20 0 BCADHO C[C@@H](C[NH+](C)C)Nc1ccnc(CO)c1 ZINC000858545380 588964298 /nfs/dbraw/zinc/96/42/98/588964298.db2.gz DLPLWAKLVRZNKP-VIFPVBQESA-N 1 3 209.293 0.936 20 0 BCADHO OC1(c2ccc(C3=CC[NH2+]CC3)cc2)CNC1 ZINC000899324053 584196843 /nfs/dbraw/zinc/19/68/43/584196843.db2.gz UMXPKSKOWDVEEM-UHFFFAOYSA-N 1 3 230.311 0.854 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899919610 584252608 /nfs/dbraw/zinc/25/26/08/584252608.db2.gz CGDFWKGFEPVINY-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899919610 584252609 /nfs/dbraw/zinc/25/26/09/584252609.db2.gz CGDFWKGFEPVINY-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C ZINC000900666531 584337537 /nfs/dbraw/zinc/33/75/37/584337537.db2.gz NMDAGWNYOKTJLR-DDHJBXDOSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C ZINC000900666531 584337540 /nfs/dbraw/zinc/33/75/40/584337540.db2.gz NMDAGWNYOKTJLR-DDHJBXDOSA-N 1 3 239.363 0.535 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@]2(O)CCOC2)C1 ZINC000902360589 584571523 /nfs/dbraw/zinc/57/15/23/584571523.db2.gz HIJGMZLUNRFROA-YPMHNXCESA-N 1 3 242.363 0.506 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000902360589 584571524 /nfs/dbraw/zinc/57/15/24/584571524.db2.gz HIJGMZLUNRFROA-YPMHNXCESA-N 1 3 242.363 0.506 20 0 BCADHO C[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902363913 584573557 /nfs/dbraw/zinc/57/35/57/584573557.db2.gz PGXAYNXRSRCPBG-ZJUUUORDSA-N 1 3 200.326 0.735 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+]C[C@H]2CNC(=O)C2)C1 ZINC000902390896 584582076 /nfs/dbraw/zinc/58/20/76/584582076.db2.gz QSRKYBGFORYKFP-QWRGUYRKSA-N 1 3 239.363 0.490 20 0 BCADHO NOCCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000902415414 584589894 /nfs/dbraw/zinc/58/98/94/584589894.db2.gz NOTVPLWVLDQECF-IJLUTSLNSA-N 1 3 227.352 0.777 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902444831 584598835 /nfs/dbraw/zinc/59/88/35/584598835.db2.gz OTRYQAIEPKNACI-IJLUTSLNSA-N 1 3 241.379 0.341 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478479 584603215 /nfs/dbraw/zinc/60/32/15/584603215.db2.gz XHICOQLMJSCDQC-RMPHRYRLSA-N 1 3 209.337 0.419 20 0 BCADHO C(N[C@@H]1CNCCOC1)[C@H]1CCCCC[NH2+]1 ZINC000902477796 584603231 /nfs/dbraw/zinc/60/32/31/584603231.db2.gz SCFYEUMRKKNULY-VXGBXAGGSA-N 1 3 227.352 0.097 20 0 BCADHO C[C@H]1CN(C)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478480 584603245 /nfs/dbraw/zinc/60/32/45/584603245.db2.gz XHICOQLMJSCDQC-RNWYCLNJSA-N 1 3 209.337 0.419 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449941 584606429 /nfs/dbraw/zinc/60/64/29/584606429.db2.gz AMQCIIXRNTWFRX-WTMYBKBASA-N 1 3 210.321 0.878 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450437 584606686 /nfs/dbraw/zinc/60/66/86/584606686.db2.gz DHFVAWNPHKSWEG-YNRVRDPVSA-N 1 3 222.332 0.879 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470821 584616893 /nfs/dbraw/zinc/61/68/93/584616893.db2.gz HGLIZGVUWGEIHH-BJKGOZRQSA-N 1 3 235.375 0.952 20 0 BCADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000902486972 584626171 /nfs/dbraw/zinc/62/61/71/584626171.db2.gz IEOPIVHMXFCXCG-OPRDCNLKSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@@H](CC(N)=O)C1 ZINC000903439557 584762651 /nfs/dbraw/zinc/76/26/51/584762651.db2.gz KJTTVSTVJPWHAY-WOPDTQHZSA-N 1 3 239.363 0.429 20 0 BCADHO C[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000903458725 584765163 /nfs/dbraw/zinc/76/51/63/584765163.db2.gz IHCMYLYVIBLGNH-RHYQMDGZSA-N 1 3 212.337 0.999 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCNC[C@@H]2C(F)F)C1 ZINC000903452857 584772802 /nfs/dbraw/zinc/77/28/02/584772802.db2.gz SXCPPNCQMGJUNA-IVZWLZJFSA-N 1 3 233.306 0.653 20 0 BCADHO F[C@@H]1CN[C@H](CN[C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482066 584778592 /nfs/dbraw/zinc/77/85/92/584778592.db2.gz WKBCULMUQFBKGN-SDDRHHMPSA-N 1 3 241.354 0.951 20 0 BCADHO F[C@@H]1CN[C@H](CN[C@H]2CC[NH2+]C23CCCC3)C1 ZINC000903482067 584778693 /nfs/dbraw/zinc/77/86/93/584778693.db2.gz WKBCULMUQFBKGN-SRVKXCTJSA-N 1 3 241.354 0.951 20 0 BCADHO C[C@](C[NH3+])(NC[C@@H]1C[C@H]2COC[C@H]2O1)C1CC1 ZINC000903716995 584792322 /nfs/dbraw/zinc/79/23/22/584792322.db2.gz GFDQACXZGWYVAS-FTYKPCCVSA-N 1 3 240.347 0.507 20 0 BCADHO C[C@H](O)CCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732291 584792923 /nfs/dbraw/zinc/79/29/23/584792923.db2.gz FARSQWKPVZIEAJ-RWMBFGLXSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](O)CCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732292 584793008 /nfs/dbraw/zinc/79/30/08/584793008.db2.gz FARSQWKPVZIEAJ-XQQFMLRXSA-N 1 3 242.363 0.458 20 0 BCADHO OC[C@@H]1CCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903753047 584796305 /nfs/dbraw/zinc/79/63/05/584796305.db2.gz ZABCUYBIUKSADP-RYUDHWBXSA-N 1 3 212.337 0.833 20 0 BCADHO O[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903763002 584797585 /nfs/dbraw/zinc/79/75/85/584797585.db2.gz GORKFAZZJOEQJS-AGIUHOORSA-N 1 3 240.347 0.212 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN(C)CCOCC[NH3+] ZINC000903769609 584797795 /nfs/dbraw/zinc/79/77/95/584797795.db2.gz KDKOHJMHBQRRRX-WDEREUQCSA-N 1 3 244.335 0.093 20 0 BCADHO CCN(CCC(N)=O)C[C@@H]1CCCC[NH2+]C1 ZINC000903786356 584800253 /nfs/dbraw/zinc/80/02/53/584800253.db2.gz HOMXLSJYDZSWQC-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@H]1CNCCO1 ZINC000903801473 584802081 /nfs/dbraw/zinc/80/20/81/584802081.db2.gz NPAFSTFMMDGMMB-YNEHKIRRSA-N 1 3 239.363 0.178 20 0 BCADHO NCC1([C@H]2CCCC[N@@H+]2CCO)CCC1 ZINC000903812110 584803643 /nfs/dbraw/zinc/80/36/43/584803643.db2.gz PZYPVKHGBZZBHX-LLVKDONJSA-N 1 3 212.337 0.962 20 0 BCADHO NCC1([C@H]2CCCC[N@H+]2CCO)CCC1 ZINC000903812110 584803645 /nfs/dbraw/zinc/80/36/45/584803645.db2.gz PZYPVKHGBZZBHX-LLVKDONJSA-N 1 3 212.337 0.962 20 0 BCADHO CCN(CCC[NH2+]C)CCC(=O)NC ZINC000903826965 584805089 /nfs/dbraw/zinc/80/50/89/584805089.db2.gz PMEJOWUNWAOGMK-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO CCN(CCC(=O)NC)C[C@H]1CCCC[NH2+]C1 ZINC000903826925 584805150 /nfs/dbraw/zinc/80/51/50/584805150.db2.gz ODMSIGRBBOTECZ-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCOCC[C@H]1C ZINC000903830929 584805299 /nfs/dbraw/zinc/80/52/99/584805299.db2.gz BNMZIZGWFURZPT-UTUOFQBUSA-N 1 3 212.337 0.953 20 0 BCADHO C[NH2+]CCCN1CCCCCNC(=O)CC1 ZINC000903829959 584805432 /nfs/dbraw/zinc/80/54/32/584805432.db2.gz PBEAHAXAHUGOBG-UHFFFAOYSA-N 1 3 227.352 0.588 20 0 BCADHO CNCCC[N@@H+]1CCCCCNC(=O)CC1 ZINC000903829959 584805433 /nfs/dbraw/zinc/80/54/33/584805433.db2.gz PBEAHAXAHUGOBG-UHFFFAOYSA-N 1 3 227.352 0.588 20 0 BCADHO CNCCC[N@H+]1CCCCCNC(=O)CC1 ZINC000903829959 584805434 /nfs/dbraw/zinc/80/54/34/584805434.db2.gz PBEAHAXAHUGOBG-UHFFFAOYSA-N 1 3 227.352 0.588 20 0 BCADHO OCC[C@@H]1COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903830191 584805841 /nfs/dbraw/zinc/80/58/41/584805841.db2.gz VWRAMKHXQJUUNR-NWDGAFQWSA-N 1 3 228.336 0.069 20 0 BCADHO Cc1c(C[C@H](C[NH3+])CN2CCCC2)cnn1C ZINC000903872054 584815156 /nfs/dbraw/zinc/81/51/56/584815156.db2.gz CAVWVWOFESNXAW-GFCCVEGCSA-N 1 3 236.363 0.942 20 0 BCADHO C[C@@H](O)CC[N@H+](C)C[C@@H](N)CC(F)F ZINC000903897019 584820074 /nfs/dbraw/zinc/82/00/74/584820074.db2.gz XUULQEGQHJCRRV-SFYZADRCSA-N 1 3 210.268 0.672 20 0 BCADHO C[C@@H](O)CC[N@@H+](C)C[C@@H](N)CC(F)F ZINC000903897019 584820076 /nfs/dbraw/zinc/82/00/76/584820076.db2.gz XUULQEGQHJCRRV-SFYZADRCSA-N 1 3 210.268 0.672 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](C[C@H](N)CC(F)F)C1 ZINC000903910565 584821544 /nfs/dbraw/zinc/82/15/44/584821544.db2.gz NWQFINJPISGBOC-XCBNKYQSSA-N 1 3 235.278 0.166 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@H](N)CC(F)F)C1 ZINC000903910565 584821545 /nfs/dbraw/zinc/82/15/45/584821545.db2.gz NWQFINJPISGBOC-XCBNKYQSSA-N 1 3 235.278 0.166 20 0 BCADHO [NH3+][C@@H](CN[C@H]1CNCCC1(F)F)CC(F)F ZINC000903918634 584822580 /nfs/dbraw/zinc/82/25/80/584822580.db2.gz DAPKAFVMVNNXIR-RQJHMYQMSA-N 1 3 243.248 0.556 20 0 BCADHO CC(C)CNCc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903924882 584823624 /nfs/dbraw/zinc/82/36/24/584823624.db2.gz JFAXWCOXYXXCJL-LLVKDONJSA-N 1 3 237.351 0.948 20 0 BCADHO N[C@@H](C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928137 584824277 /nfs/dbraw/zinc/82/42/77/584824277.db2.gz WCLHSPWCSGLWES-HTQZYQBOSA-N 1 3 247.289 0.322 20 0 BCADHO [NH3+][C@H](CC(F)F)CN1CCNC[C@H]1C(F)F ZINC000903916999 584826870 /nfs/dbraw/zinc/82/68/70/584826870.db2.gz JGSBYKRFTPUURN-RQJHMYQMSA-N 1 3 243.248 0.508 20 0 BCADHO CC(C)[C@H](C[NH3+])CNCc1cc(N)ccn1 ZINC000903954323 584832356 /nfs/dbraw/zinc/83/23/56/584832356.db2.gz QOMGQNFKSRXHNZ-SNVBAGLBSA-N 1 3 222.336 0.984 20 0 BCADHO C[C@]1(CN2CCC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301533 584861484 /nfs/dbraw/zinc/86/14/84/584861484.db2.gz NCNOCUAILXARII-AAEUAGOBSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C[N@@H+]2CCC[C@H](C(N)=O)C2)CCCNC1 ZINC000904301533 584861485 /nfs/dbraw/zinc/86/14/85/584861485.db2.gz NCNOCUAILXARII-AAEUAGOBSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C[N@H+]2CCC[C@H](C(N)=O)C2)CCCNC1 ZINC000904301533 584861487 /nfs/dbraw/zinc/86/14/87/584861487.db2.gz NCNOCUAILXARII-AAEUAGOBSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)[C@@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303789 584861915 /nfs/dbraw/zinc/86/19/15/584861915.db2.gz HKPBGRINTBFGKR-AEJSXWLSSA-N 1 3 211.309 0.064 20 0 BCADHO CCCNC(=O)CN(CCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313718 584863357 /nfs/dbraw/zinc/86/33/57/584863357.db2.gz YMVTVENPNFXSRO-TXEJJXNPSA-N 1 3 241.379 0.962 20 0 BCADHO CN(Cc1cccc(C(N)=O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313619 584863438 /nfs/dbraw/zinc/86/34/38/584863438.db2.gz XBLMHVKOLICOIM-BJHJDKERSA-N 1 3 247.342 0.955 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCOC[C@@H]2C2CC2)C1 ZINC000904323726 584864525 /nfs/dbraw/zinc/86/45/25/584864525.db2.gz RIXWZCAPVHDTQP-ADEWGFFLSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@@H]([C@H]3CCCO3)C2)C1 ZINC000904328437 584865606 /nfs/dbraw/zinc/86/56/06/584865606.db2.gz OPDJIASKRCDTBN-YVECIDJPSA-N 1 3 240.347 0.604 20 0 BCADHO Nc1ccc(CN2CCC[C@H](CC[NH3+])C2)nn1 ZINC000904333969 584866802 /nfs/dbraw/zinc/86/68/02/584866802.db2.gz HVVMPIBQRCTHTL-SNVBAGLBSA-N 1 3 235.335 0.620 20 0 BCADHO CC(C)C[C@@H]1C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341185 584867081 /nfs/dbraw/zinc/86/70/81/584867081.db2.gz KBWSJOVQHUIDQM-GRYCIOLGSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904342683 584867256 /nfs/dbraw/zinc/86/72/56/584867256.db2.gz NGDNTCAFRDOVRG-STQMWFEESA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@@]2(C)CCCNC2)C1 ZINC000904342683 584867257 /nfs/dbraw/zinc/86/72/57/584867257.db2.gz NGDNTCAFRDOVRG-STQMWFEESA-N 1 3 239.363 0.573 20 0 BCADHO CCC[C@]1(C)C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342564 584867353 /nfs/dbraw/zinc/86/73/53/584867353.db2.gz KQWGKRAGZUFFBI-NTZNESFSSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H]1C(=O)N(CC)CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343268 584867704 /nfs/dbraw/zinc/86/77/04/584867704.db2.gz ROFLNVTXAGKSOE-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H]1C(=O)N(CC)CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343269 584867737 /nfs/dbraw/zinc/86/77/37/584867737.db2.gz ROFLNVTXAGKSOE-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@]1(CN[C@@H]2CNCCC2(F)F)CCC[NH2+]C1 ZINC000904354648 584870739 /nfs/dbraw/zinc/87/07/39/584870739.db2.gz IGQIIXXETFWIKS-GHMZBOCLSA-N 1 3 247.333 0.963 20 0 BCADHO C[C@@]1(CN[C@H]2CNCCC2(F)F)CCC[NH2+]C1 ZINC000904354651 584870932 /nfs/dbraw/zinc/87/09/32/584870932.db2.gz IGQIIXXETFWIKS-WDEREUQCSA-N 1 3 247.333 0.963 20 0 BCADHO C[C@H](O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368655 584872666 /nfs/dbraw/zinc/87/26/66/584872666.db2.gz LRSVQTZYQMNVRL-ZDEQEGDKSA-N 1 3 241.379 0.111 20 0 BCADHO CC(C)N1CC[C@H](NC2CC(C[NH3+])C2)C1=O ZINC000904363453 584874516 /nfs/dbraw/zinc/87/45/16/584874516.db2.gz FXHFGSUXNIQGGD-ILDUYXDCSA-N 1 3 225.336 0.323 20 0 BCADHO [NH3+]Cc1ccc(CNC[C@H]2COCCN2)cc1 ZINC000904381450 584876706 /nfs/dbraw/zinc/87/67/06/584876706.db2.gz PJXPBPCJEXXHNV-ZDUSSCGKSA-N 1 3 235.331 0.223 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420746 584881872 /nfs/dbraw/zinc/88/18/72/584881872.db2.gz WBAFGQXJRFLOHI-GRYCIOLGSA-N 1 3 212.337 0.810 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420746 584881874 /nfs/dbraw/zinc/88/18/74/584881874.db2.gz WBAFGQXJRFLOHI-GRYCIOLGSA-N 1 3 212.337 0.810 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCNCC1(C)C ZINC000876537931 584885966 /nfs/dbraw/zinc/88/59/66/584885966.db2.gz HVYLFSVZBZBMKF-NXEZZACHSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1C ZINC000876831781 584887541 /nfs/dbraw/zinc/88/75/41/584887541.db2.gz KATLHFNFMJPNSF-WRWGMCAJSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884027378 584901948 /nfs/dbraw/zinc/90/19/48/584901948.db2.gz AAQIVUFNCJAZHJ-GHMZBOCLSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](NC(=O)c1cccc(CN)c1)[C@H](C)[NH3+] ZINC000834822734 584914882 /nfs/dbraw/zinc/91/48/82/584914882.db2.gz YYPUOUDLXQFVQR-DTWKUNHWSA-N 1 3 221.304 0.611 20 0 BCADHO COCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000884034740 584939589 /nfs/dbraw/zinc/93/95/89/584939589.db2.gz KSSMFPDOOFJNRY-PWSUYJOCSA-N 1 3 245.367 0.230 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884043376 584940488 /nfs/dbraw/zinc/94/04/88/584940488.db2.gz UUGWBTIOBPXFGB-QWRGUYRKSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884359288 584951283 /nfs/dbraw/zinc/95/12/83/584951283.db2.gz HBVKBUWXDKBMOQ-UJNFCWOMSA-N 1 3 225.336 0.369 20 0 BCADHO CC[C@]1(C(=O)NC[C@@H](C)N(C)C)CCC[NH2+]1 ZINC000215296995 585023621 /nfs/dbraw/zinc/02/36/21/585023621.db2.gz MWEUWSNVIVAGAM-ZYHUDNBSSA-N 1 3 227.352 0.585 20 0 BCADHO CN1CCC[C@H]1CC[NH2+]C1(C(N)=O)CCCC1 ZINC000767429131 585520189 /nfs/dbraw/zinc/52/01/89/585520189.db2.gz KTPKQHQEGDBCBW-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC[NH+](CC)CCOC(=O)C1CCN(C)C1=O ZINC000772505895 585616764 /nfs/dbraw/zinc/61/67/64/585616764.db2.gz CXWFBYVBFJGTIB-SNVBAGLBSA-N 1 3 242.319 0.350 20 0 BCADHO C[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327764 585922044 /nfs/dbraw/zinc/92/20/44/585922044.db2.gz RNQPHYPHRGVPAM-VXGBXAGGSA-N 1 3 235.331 0.973 20 0 BCADHO CC(C)CN(CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788475715 585925120 /nfs/dbraw/zinc/92/51/20/585925120.db2.gz TVBNJRLZFQTXIM-UHFFFAOYSA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)C[N@@H+](CC(N)=O)CC1CCN(C)CC1 ZINC000788475715 585925121 /nfs/dbraw/zinc/92/51/21/585925121.db2.gz TVBNJRLZFQTXIM-UHFFFAOYSA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)C[N@H+](CC(N)=O)CC1CCN(C)CC1 ZINC000788475715 585925122 /nfs/dbraw/zinc/92/51/22/585925122.db2.gz TVBNJRLZFQTXIM-UHFFFAOYSA-N 1 3 241.379 0.772 20 0 BCADHO COCC[NH+](CCOC)CC1CCN(C)CC1 ZINC000788470179 585925214 /nfs/dbraw/zinc/92/52/14/585925214.db2.gz MRIZUMLXMSUIQN-UHFFFAOYSA-N 1 3 244.379 0.923 20 0 BCADHO C[C@@H](O)CN1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000795140559 586069455 /nfs/dbraw/zinc/06/94/55/586069455.db2.gz OVTQZSSHOUOQMN-VXGBXAGGSA-N 1 3 235.331 0.973 20 0 BCADHO CCNCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000817860296 586831004 /nfs/dbraw/zinc/83/10/04/586831004.db2.gz FXALXQCKVHAXIG-DCAQKATOSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@@H]1N ZINC000817914338 586831830 /nfs/dbraw/zinc/83/18/30/586831830.db2.gz VHZMJPJHHPUHOQ-WOPDTQHZSA-N 1 3 211.353 0.940 20 0 BCADHO CN1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2N)C1 ZINC000817888522 586832375 /nfs/dbraw/zinc/83/23/75/586832375.db2.gz HGLLXMXHQMHZAD-SRVKXCTJSA-N 1 3 211.353 0.940 20 0 BCADHO CN1CC[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888522 586832377 /nfs/dbraw/zinc/83/23/77/586832377.db2.gz HGLLXMXHQMHZAD-SRVKXCTJSA-N 1 3 211.353 0.940 20 0 BCADHO NCc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000818561445 586901723 /nfs/dbraw/zinc/90/17/23/586901723.db2.gz UUZXZOXYLHZDAS-NSHDSACASA-N 1 3 219.288 0.237 20 0 BCADHO CCNCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000818574775 586902646 /nfs/dbraw/zinc/90/26/46/586902646.db2.gz NHGGLNMNTDZECX-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO CCNCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000818595118 586904518 /nfs/dbraw/zinc/90/45/18/586904518.db2.gz COYQUOWXNHCCHG-JTQLQIEISA-N 1 3 213.325 0.244 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000827777016 587401515 /nfs/dbraw/zinc/40/15/15/587401515.db2.gz KJTQISWFHXUCIG-CMPLNLGQSA-N 1 3 245.342 0.535 20 0 BCADHO CC[C@H](O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000830653091 587562879 /nfs/dbraw/zinc/56/28/79/587562879.db2.gz UHZVEOMBAJXYFM-LBPRGKRZSA-N 1 3 242.363 0.554 20 0 BCADHO NCc1cccc(C(=O)NCC2([NH3+])CCC2)c1 ZINC000831545874 587618162 /nfs/dbraw/zinc/61/81/62/587618162.db2.gz BGKTYZCPEOQSHA-UHFFFAOYSA-N 1 3 233.315 0.757 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831898645 587635786 /nfs/dbraw/zinc/63/57/86/587635786.db2.gz MAVBBPHKEILPQN-CMPLNLGQSA-N 1 3 243.326 0.241 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831898648 587635842 /nfs/dbraw/zinc/63/58/42/587635842.db2.gz MAVBBPHKEILPQN-PWSUYJOCSA-N 1 3 243.326 0.241 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831898650 587636014 /nfs/dbraw/zinc/63/60/14/587636014.db2.gz MAVBBPHKEILPQN-ZYHUDNBSSA-N 1 3 243.326 0.241 20 0 BCADHO C[C@@H](C(=O)NCCN1CCC[C@@H]1C)[C@H](C)[NH3+] ZINC000831971259 587639791 /nfs/dbraw/zinc/63/97/91/587639791.db2.gz UPEAVNDDJBAVLO-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](N)CC(F)F ZINC000831970398 587639953 /nfs/dbraw/zinc/63/99/53/587639953.db2.gz FYXCRZLRRPBKLA-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](N)CC(F)F ZINC000831970398 587639954 /nfs/dbraw/zinc/63/99/54/587639954.db2.gz FYXCRZLRRPBKLA-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000831971261 587640055 /nfs/dbraw/zinc/64/00/55/587640055.db2.gz UPEAVNDDJBAVLO-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831970627 587640222 /nfs/dbraw/zinc/64/02/22/587640222.db2.gz JUXRMFXUJVDMTC-ZYHUDNBSSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000831970320 587640237 /nfs/dbraw/zinc/64/02/37/587640237.db2.gz CHQHUCVAGAHJDB-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000831970282 587640297 /nfs/dbraw/zinc/64/02/97/587640297.db2.gz BPLTYITZRBQEEI-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCC[C@H]1C ZINC000831971451 587640589 /nfs/dbraw/zinc/64/05/89/587640589.db2.gz XUSIHDINCLFUPS-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CCC[C@H]1C ZINC000831970426 587640610 /nfs/dbraw/zinc/64/06/10/587640610.db2.gz HCLPMCACEOCPSV-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970602 587640660 /nfs/dbraw/zinc/64/06/60/587640660.db2.gz JJTZXWCULULILF-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970602 587640661 /nfs/dbraw/zinc/64/06/61/587640661.db2.gz JJTZXWCULULILF-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970628 587640722 /nfs/dbraw/zinc/64/07/22/587640722.db2.gz JWUNCSYGRLJUCV-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970628 587640723 /nfs/dbraw/zinc/64/07/23/587640723.db2.gz JWUNCSYGRLJUCV-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000831970840 587640742 /nfs/dbraw/zinc/64/07/42/587640742.db2.gz NBMRSLMHUYIKQN-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000831970842 587640764 /nfs/dbraw/zinc/64/07/64/587640764.db2.gz NBMRSLMHUYIKQN-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000832089393 587644514 /nfs/dbraw/zinc/64/45/14/587644514.db2.gz YKHCLBMXHJYXKA-LBPRGKRZSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)c1cccc(CN)c1 ZINC000832726382 587679924 /nfs/dbraw/zinc/67/99/24/587679924.db2.gz SCVJQCSGEGILJL-SECBINFHSA-N 1 3 221.304 0.565 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007553 587934906 /nfs/dbraw/zinc/93/49/06/587934906.db2.gz YWTWXHOFVCYQSZ-NEPJUHHUSA-N 1 3 240.347 0.823 20 0 BCADHO C[C@H]1C[C@H](CN2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007555 587935014 /nfs/dbraw/zinc/93/50/14/587935014.db2.gz YWTWXHOFVCYQSZ-NWDGAFQWSA-N 1 3 240.347 0.823 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000841851805 587975961 /nfs/dbraw/zinc/97/59/61/587975961.db2.gz XXJVCQKCBQRKEP-PWSUYJOCSA-N 1 3 243.326 0.418 20 0 BCADHO N[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848027 587977344 /nfs/dbraw/zinc/97/73/44/587977344.db2.gz QRLYAEBCOZGWPZ-CHWSQXEVSA-N 1 3 247.342 0.930 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000841849430 587977814 /nfs/dbraw/zinc/97/78/14/587977814.db2.gz UCMIIZAYEIIDEK-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO [NH3+]C1(CC(=O)N[C@@H]2CNCCC2(F)F)CCC1 ZINC000841852690 587978375 /nfs/dbraw/zinc/97/83/75/587978375.db2.gz OLVMAUCEVWZFIW-MRVPVSSYSA-N 1 3 247.289 0.371 20 0 BCADHO CN(CC[C@@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000842471860 588029211 /nfs/dbraw/zinc/02/92/11/588029211.db2.gz DJBUUVXTCRHWPN-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCCC2(C1)OCCO2 ZINC000843071103 588079190 /nfs/dbraw/zinc/07/91/90/588079190.db2.gz YPOHUVCQANVFSE-UHFFFAOYSA-N 1 3 240.347 0.825 20 0 BCADHO C[C@@H]1C[NH2+]C[C@@H](N[C@@H]2CNCCC2(F)F)C1 ZINC000843125861 588082117 /nfs/dbraw/zinc/08/21/17/588082117.db2.gz JRILDDPKUQVXDB-LPEHRKFASA-N 1 3 233.306 0.571 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327061 588099971 /nfs/dbraw/zinc/09/99/71/588099971.db2.gz BRJMCEUEBZRTNK-SECBINFHSA-N 1 3 221.304 0.151 20 0 BCADHO CCNCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843452735 588112105 /nfs/dbraw/zinc/11/21/05/588112105.db2.gz XIXPCWZGBOQKKD-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CCNCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843480010 588113787 /nfs/dbraw/zinc/11/37/87/588113787.db2.gz JULXGWOSXHIVKK-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]1NCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1C ZINC000843473818 588113956 /nfs/dbraw/zinc/11/39/56/588113956.db2.gz PYPDCSBSZZJAFJ-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO CCNCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843484809 588114439 /nfs/dbraw/zinc/11/44/39/588114439.db2.gz LWSCTUYPRNLSSS-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000843481658 588114461 /nfs/dbraw/zinc/11/44/61/588114461.db2.gz LZNWZTLPHMBFPB-LLVKDONJSA-N 1 3 231.315 0.322 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000843490733 588115168 /nfs/dbraw/zinc/11/51/68/588115168.db2.gz XFPGEZYFTYKXOX-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CCNCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000843499794 588116142 /nfs/dbraw/zinc/11/61/42/588116142.db2.gz NJONCZGOUDYCSJ-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO N[C@H](C(=O)NCCCCCC[NH3+])C1CCC1 ZINC000843511146 588117907 /nfs/dbraw/zinc/11/79/07/588117907.db2.gz IOENFVHMBFKIHA-NSHDSACASA-N 1 3 227.352 0.749 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCCCCC[NH3+] ZINC000843512961 588117993 /nfs/dbraw/zinc/11/79/93/588117993.db2.gz VQDGQNOWHBMTFR-JTQLQIEISA-N 1 3 227.352 0.762 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCCCCC[NH3+] ZINC000843512963 588118155 /nfs/dbraw/zinc/11/81/55/588118155.db2.gz VQDGQNOWHBMTFR-SNVBAGLBSA-N 1 3 227.352 0.762 20 0 BCADHO CCNCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000844170859 588171503 /nfs/dbraw/zinc/17/15/03/588171503.db2.gz KPOYWUVZBLMRFU-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH2+]CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000844171461 588171646 /nfs/dbraw/zinc/17/16/46/588171646.db2.gz IQRGKQPUGGPEPU-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CCNCC(=O)NCC[N@H+](CC)C(C)C ZINC000844181161 588172169 /nfs/dbraw/zinc/17/21/69/588172169.db2.gz YHQCPNMTLCNXAE-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO CCNCC(=O)NCC[N@@H+](CC)C(C)C ZINC000844181161 588172171 /nfs/dbraw/zinc/17/21/71/588172171.db2.gz YHQCPNMTLCNXAE-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000844190510 588172757 /nfs/dbraw/zinc/17/27/57/588172757.db2.gz JFHGSKQBXWEJDG-NXEZZACHSA-N 1 3 225.336 0.337 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000844202798 588173720 /nfs/dbraw/zinc/17/37/20/588173720.db2.gz OLFSUMFHYJOJIE-GFCCVEGCSA-N 1 3 245.342 0.488 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@]1(F)CCNC1 ZINC000846743490 588284079 /nfs/dbraw/zinc/28/40/79/588284079.db2.gz ZLUDOCYVFABDNP-FXPVBKGRSA-N 1 3 229.299 0.026 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](CCO)C1CC1 ZINC000846855322 588293478 /nfs/dbraw/zinc/29/34/78/588293478.db2.gz UQUGDBTVNRNNLC-RYUDHWBXSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](CCO)C1CC1 ZINC000846855322 588293479 /nfs/dbraw/zinc/29/34/79/588293479.db2.gz UQUGDBTVNRNNLC-RYUDHWBXSA-N 1 3 230.352 0.050 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)CC[NH2+]C1CC1 ZINC000848460381 588386154 /nfs/dbraw/zinc/38/61/54/588386154.db2.gz JWGQPBHONBOGJD-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO Cn1cnc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000848562395 588397540 /nfs/dbraw/zinc/39/75/40/588397540.db2.gz JELAYWONZXIVST-KLPPZKSPSA-N 1 3 222.336 0.850 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848720951 588408492 /nfs/dbraw/zinc/40/84/92/588408492.db2.gz FNCVICHUNBXJAW-HBNTYKKESA-N 1 3 239.319 0.439 20 0 BCADHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000848986540 588425593 /nfs/dbraw/zinc/42/55/93/588425593.db2.gz CYCYAPQVLHVEOA-WDEREUQCSA-N 1 3 242.367 0.620 20 0 BCADHO CNC(=[NH2+])NC[C@H](C)N1CCC[C@H](C)C1 ZINC000848986949 588425691 /nfs/dbraw/zinc/42/56/91/588425691.db2.gz BPSRWALHOWPIGC-UWVGGRQHSA-N 1 3 212.341 0.851 20 0 BCADHO CNC(=[NH2+])NC[C@H](C)N1CCCC[C@@H]1C ZINC000848986997 588425936 /nfs/dbraw/zinc/42/59/36/588425936.db2.gz DKZZIGSXPUYKTD-UWVGGRQHSA-N 1 3 212.341 0.993 20 0 BCADHO CNC(=[NH2+])NC[C@H](C)N1CCC(C)CC1 ZINC000848998761 588429942 /nfs/dbraw/zinc/42/99/42/588429942.db2.gz SRBOMZWMJVCIKY-JTQLQIEISA-N 1 3 212.341 0.851 20 0 BCADHO CNC(=[NH2+])NC[C@@H](C)N1CCC(C)CC1 ZINC000848998762 588430043 /nfs/dbraw/zinc/43/00/43/588430043.db2.gz SRBOMZWMJVCIKY-SNVBAGLBSA-N 1 3 212.341 0.851 20 0 BCADHO C[C@H]1CCN(CCNC(=[NH2+])NC2CCC2)C1 ZINC000849004613 588431845 /nfs/dbraw/zinc/43/18/45/588431845.db2.gz RMNZVZDTAHDZFD-JTQLQIEISA-N 1 3 224.352 0.995 20 0 BCADHO CC[C@@H](CO)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849020703 588438885 /nfs/dbraw/zinc/43/88/85/588438885.db2.gz YAKJIKXLXOKKQW-QWRGUYRKSA-N 1 3 242.367 0.356 20 0 BCADHO CCNC(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000849026759 588441124 /nfs/dbraw/zinc/44/11/24/588441124.db2.gz SGXWMRXUPYIEEP-UHFFFAOYSA-N 1 3 241.383 0.146 20 0 BCADHO CN(C)C(=[NH2+])NCCN1CCCC1(C)C ZINC000849039356 588446915 /nfs/dbraw/zinc/44/69/15/588446915.db2.gz UCTBNTRTRRACLK-UHFFFAOYSA-N 1 3 212.341 0.947 20 0 BCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2C=CCC2)C1 ZINC000849349523 588474466 /nfs/dbraw/zinc/47/44/66/588474466.db2.gz CBFWXIYVEBWFFN-VXGBXAGGSA-N 1 3 237.347 0.492 20 0 BCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C=CCC2)C1 ZINC000849349521 588474598 /nfs/dbraw/zinc/47/45/98/588474598.db2.gz CBFWXIYVEBWFFN-NWDGAFQWSA-N 1 3 237.347 0.492 20 0 BCADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@H]1CNCCO1 ZINC000852746409 588699142 /nfs/dbraw/zinc/69/91/42/588699142.db2.gz KYDFVSGESVQIGX-PSEXLTFBSA-N 1 3 239.363 0.319 20 0 BCADHO FC(F)OCCN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000852750358 588699917 /nfs/dbraw/zinc/69/99/17/588699917.db2.gz RMJDFJLNFSRBJD-SNVBAGLBSA-N 1 3 249.305 0.205 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852842536 588705797 /nfs/dbraw/zinc/70/57/97/588705797.db2.gz XQWOVEVMHXPRTK-MRVPVSSYSA-N 1 3 213.325 0.323 20 0 BCADHO CN1CCC(NC(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852854171 588708676 /nfs/dbraw/zinc/70/86/76/588708676.db2.gz DFNSSYIFBRKEQJ-UHFFFAOYSA-N 1 3 237.347 0.507 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852859500 588708769 /nfs/dbraw/zinc/70/87/69/588708769.db2.gz VTJSOGKFXRAPGN-YDNLMGDJSA-N 1 3 223.320 0.077 20 0 BCADHO CN(CCNC(=O)C=C1CC[NH2+]CC1)C1CC1 ZINC000852862422 588709101 /nfs/dbraw/zinc/70/91/01/588709101.db2.gz DJEJCBNTCNOEFD-UHFFFAOYSA-N 1 3 237.347 0.507 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)[C@H](C[NH3+])C1 ZINC000852863700 588709277 /nfs/dbraw/zinc/70/92/77/588709277.db2.gz QYHZYNMBHINLNG-JFGNBEQYSA-N 1 3 243.326 0.274 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852861830 588709302 /nfs/dbraw/zinc/70/93/02/588709302.db2.gz KPYJFMDZGNYKRE-UTUOFQBUSA-N 1 3 239.363 0.570 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852864268 588709345 /nfs/dbraw/zinc/70/93/45/588709345.db2.gz QROOERNIMHCFPU-JQWIXIFHSA-N 1 3 243.326 0.289 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@]1(F)CCNC1 ZINC000852867887 588709466 /nfs/dbraw/zinc/70/94/66/588709466.db2.gz GHAYEPYXBOTKCL-KOLCDFICSA-N 1 3 231.315 0.178 20 0 BCADHO C[C@@H]1NCCN(C(=O)C=C2CC[NH2+]CC2)[C@H]1C ZINC000852878095 588710296 /nfs/dbraw/zinc/71/02/96/588710296.db2.gz HSZUUIMIZSXEMK-QWRGUYRKSA-N 1 3 237.347 0.505 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1cc(C)nn1C ZINC000863544203 589297082 /nfs/dbraw/zinc/29/70/82/589297082.db2.gz NIPZLRAKKQKSGA-LLVKDONJSA-N 1 3 240.351 0.615 20 0 BCADHO C[C@H]1C[C@H]1NC(=[NH2+])NCCNc1ccncc1 ZINC000864455281 589366400 /nfs/dbraw/zinc/36/64/00/589366400.db2.gz LVHHTSUBTYEWMN-GXSJLCMTSA-N 1 3 233.319 0.438 20 0 BCADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000864462280 589369476 /nfs/dbraw/zinc/36/94/76/589369476.db2.gz LBMPQLMIDSSURE-KOLCDFICSA-N 1 3 222.336 0.771 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594754 589440636 /nfs/dbraw/zinc/44/06/36/589440636.db2.gz VBPBPVGRASWCHZ-VXGBXAGGSA-N 1 3 240.347 0.823 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594754 589440638 /nfs/dbraw/zinc/44/06/38/589440638.db2.gz VBPBPVGRASWCHZ-VXGBXAGGSA-N 1 3 240.347 0.823 20 0 BCADHO [NH3+]CCCN1CCC(OC[C@H]2CCCO2)CC1 ZINC000866704877 589514303 /nfs/dbraw/zinc/51/43/03/589514303.db2.gz ZPEYYSIGUHWSMU-CYBMUJFWSA-N 1 3 242.363 0.995 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704806 589514839 /nfs/dbraw/zinc/51/48/39/589514839.db2.gz YDTKBFBPPVYHSB-ZYHUDNBSSA-N 1 3 230.352 0.050 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704806 589514840 /nfs/dbraw/zinc/51/48/40/589514840.db2.gz YDTKBFBPPVYHSB-ZYHUDNBSSA-N 1 3 230.352 0.050 20 0 BCADHO C[C@@H](NC(=O)CNC1CC1)C1CC[NH2+]CC1 ZINC000868006264 589544022 /nfs/dbraw/zinc/54/40/22/589544022.db2.gz LXZFUQYJJHPMIP-SECBINFHSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000870913114 589696757 /nfs/dbraw/zinc/69/67/57/589696757.db2.gz QLBZGAMJKGFWJE-NNYUYHANSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)N(C)C ZINC000870921093 589697438 /nfs/dbraw/zinc/69/74/38/589697438.db2.gz LSWJDLNXASQXCD-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+][C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000870947917 589700741 /nfs/dbraw/zinc/70/07/41/589700741.db2.gz UVYSMCGUNJLYNY-NAKRPEOUSA-N 1 3 243.326 0.320 20 0 BCADHO N[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870964398 589701928 /nfs/dbraw/zinc/70/19/28/589701928.db2.gz BKRMLOANRPRKGF-UHTWSYAYSA-N 1 3 247.342 0.930 20 0 BCADHO NCc1cccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000870965576 589702145 /nfs/dbraw/zinc/70/21/45/589702145.db2.gz RLSGWNRUUJDJFA-KLPPZKSPSA-N 1 3 233.315 0.612 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981479 589702650 /nfs/dbraw/zinc/70/26/50/589702650.db2.gz IXTCKXWOFKATSV-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981479 589702651 /nfs/dbraw/zinc/70/26/51/589702651.db2.gz IXTCKXWOFKATSV-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974758 589704070 /nfs/dbraw/zinc/70/40/70/589704070.db2.gz PNJGZNQEQBHPNP-WRWGMCAJSA-N 1 3 239.363 0.617 20 0 BCADHO C[C@@H](NC(=O)[C@]1(F)CCNC1)C1CC[NH2+]CC1 ZINC000870983790 589705574 /nfs/dbraw/zinc/70/55/74/589705574.db2.gz APPTWGVIMFDSHY-SKDRFNHKSA-N 1 3 243.326 0.192 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870989819 589707972 /nfs/dbraw/zinc/70/79/72/589707972.db2.gz PTYQCSGBXLZLJM-GXFFZTMASA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C(=O)N1CC[NH2+]CCC1(C)C)N(C)C ZINC000872299772 589902842 /nfs/dbraw/zinc/90/28/42/589902842.db2.gz BHBXCFWVKHKLTH-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCNCCC1(C)C ZINC000872290352 589906843 /nfs/dbraw/zinc/90/68/43/589906843.db2.gz MSRSBOCJOBVIJS-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CC1(C)CCNCCN1C(=O)CC1([NH3+])CC1 ZINC000872301809 589907930 /nfs/dbraw/zinc/90/79/30/589907930.db2.gz UOJBFZPQNBFZLA-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CCC2OCCO2)C1 ZINC000124301207 589974059 /nfs/dbraw/zinc/97/40/59/589974059.db2.gz FTCNGBDPNBNHGB-NSHDSACASA-N 1 3 228.336 0.633 20 0 BCADHO FC(F)[C@H]1CNCCN1CC12CC(C1)C[NH2+]2 ZINC000873210569 589994329 /nfs/dbraw/zinc/99/43/29/589994329.db2.gz KGHWJGOXOZGKRH-INWMGODYSA-N 1 3 231.290 0.277 20 0 BCADHO Nc1cnc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000873210205 589994968 /nfs/dbraw/zinc/99/49/68/589994968.db2.gz YUDRDMJKHCZIPW-JTQLQIEISA-N 1 3 235.335 0.620 20 0 BCADHO Nc1cnc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000873211338 589996152 /nfs/dbraw/zinc/99/61/52/589996152.db2.gz YVLMVCSOEMZFSM-UHFFFAOYSA-N 1 3 247.346 0.634 20 0 BCADHO C[C@]1(CN[C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC[NH2+]C1 ZINC000873217347 589998099 /nfs/dbraw/zinc/99/80/99/589998099.db2.gz JXCQXKMWVOLZKX-GAURVVSWSA-N 1 3 236.359 0.999 20 0 BCADHO COC[C@H](CCC[NH3+])N[C@H](C)c1ccnn1C ZINC000873274182 590017021 /nfs/dbraw/zinc/01/70/21/590017021.db2.gz BJXNGJDXCCDODV-MNOVXSKESA-N 1 3 240.351 0.825 20 0 BCADHO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000876506676 590204698 /nfs/dbraw/zinc/20/46/98/590204698.db2.gz XMXDPGJHBPPYQV-ITKZLYELSA-N 1 3 237.347 0.364 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCN1CCCC1 ZINC000876712756 590232996 /nfs/dbraw/zinc/23/29/96/590232996.db2.gz JJRPHXKQGXVDPK-WDEREUQCSA-N 1 3 239.363 0.572 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876732663 590234580 /nfs/dbraw/zinc/23/45/80/590234580.db2.gz CGNIGQKYXLSANW-AXFHLTTASA-N 1 3 243.326 0.144 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876732664 590234680 /nfs/dbraw/zinc/23/46/80/590234680.db2.gz CGNIGQKYXLSANW-GMTAPVOTSA-N 1 3 243.326 0.144 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871957 590251849 /nfs/dbraw/zinc/25/18/49/590251849.db2.gz OUEGHHULJCJUTH-UTUOFQBUSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@]1(F)CCNC1 ZINC000877002456 590268145 /nfs/dbraw/zinc/26/81/45/590268145.db2.gz VHIFVHRNEYSHBZ-MWLCHTKSSA-N 1 3 241.310 0.089 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)NC1CC1 ZINC000877021254 590270041 /nfs/dbraw/zinc/27/00/41/590270041.db2.gz DCDOYVPKSSAAKQ-DVVUODLYSA-N 1 3 225.336 0.384 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000877105707 590284816 /nfs/dbraw/zinc/28/48/16/590284816.db2.gz LVHQIODQRZAOJW-JTQLQIEISA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)CN(C)CC(C)(C)C ZINC000877107444 590285851 /nfs/dbraw/zinc/28/58/51/590285851.db2.gz FRQJZJXFHURNDF-JTQLQIEISA-N 1 3 229.368 0.770 20 0 BCADHO C[C@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134857 590290948 /nfs/dbraw/zinc/29/09/48/590290948.db2.gz ZSBWIVXDMDONKY-BKDNQFJXSA-N 1 3 219.288 0.787 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157283 590293186 /nfs/dbraw/zinc/29/31/86/590293186.db2.gz BYSNISYRGVLSMA-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO CCNCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158571 590294140 /nfs/dbraw/zinc/29/41/40/590294140.db2.gz UQDIZZURHBKXTQ-JTQLQIEISA-N 1 3 227.352 0.490 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169851 590295767 /nfs/dbraw/zinc/29/57/67/590295767.db2.gz HNVOONUGPVRURJ-INTQDDNPSA-N 1 3 223.320 0.090 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000877176236 590297282 /nfs/dbraw/zinc/29/72/82/590297282.db2.gz NOYNCVUGURSGGP-CIUDSAMLSA-N 1 3 211.309 0.075 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187758 590298612 /nfs/dbraw/zinc/29/86/12/590298612.db2.gz GONQNOSCXXYEOG-CBZQXFMTSA-N 1 3 237.347 0.609 20 0 BCADHO CC(C)N(C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188441 590298922 /nfs/dbraw/zinc/29/89/22/590298922.db2.gz CILFLEJGNNXKBH-UHFFFAOYSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192273 590299100 /nfs/dbraw/zinc/29/91/00/590299100.db2.gz JWFVMYLLZPZAQQ-YUCVTWSNSA-N 1 3 211.309 0.206 20 0 BCADHO CC(C)[NH+]1CCC(CCNC(=O)CN)CC1 ZINC000877200121 590300477 /nfs/dbraw/zinc/30/04/77/590300477.db2.gz FWTNQYMEJFZAMA-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO [NH3+]CC1(NC(=O)[C@@]2(F)CCNC2)CCCCC1 ZINC000877205945 590301226 /nfs/dbraw/zinc/30/12/26/590301226.db2.gz YZHTZJPVMWMEML-GFCCVEGCSA-N 1 3 243.326 0.466 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243137 590302577 /nfs/dbraw/zinc/30/25/77/590302577.db2.gz GLQASTHHQLWAQM-CDECOKDKSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243028 590302693 /nfs/dbraw/zinc/30/26/93/590302693.db2.gz KTZXTHSRUFOCEY-OUAUKWLOSA-N 1 3 239.363 0.618 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N(CC)CC ZINC000877244057 590302979 /nfs/dbraw/zinc/30/29/79/590302979.db2.gz UDHCQBULIIDIAD-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N(CC)CC ZINC000877244055 590303195 /nfs/dbraw/zinc/30/31/95/590303195.db2.gz UDHCQBULIIDIAD-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272293 590305579 /nfs/dbraw/zinc/30/55/79/590305579.db2.gz HIVBKTAJHCAEEU-VWYCJHECSA-N 1 3 225.336 0.337 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285034 590306599 /nfs/dbraw/zinc/30/65/99/590306599.db2.gz XSLFGAMKMGGBAM-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282441 590306746 /nfs/dbraw/zinc/30/67/46/590306746.db2.gz LWJUKACJYUTIJD-QWRGUYRKSA-N 1 3 223.320 0.091 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877288472 590307416 /nfs/dbraw/zinc/30/74/16/590307416.db2.gz PFBNTBFCBQXQAY-AEJSXWLSSA-N 1 3 211.309 0.077 20 0 BCADHO [NH3+]CCCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877347900 590318701 /nfs/dbraw/zinc/31/87/01/590318701.db2.gz VUCAOYSLPNBHJQ-ZDUSSCGKSA-N 1 3 247.342 0.556 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380259 590320419 /nfs/dbraw/zinc/32/04/19/590320419.db2.gz ZHWGLJQEFSAYMX-OPQQBVKSSA-N 1 3 239.363 0.428 20 0 BCADHO CCN(CC)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391487 590322393 /nfs/dbraw/zinc/32/23/93/590322393.db2.gz NZERPMMRIICRPQ-DGCLKSJQSA-N 1 3 239.363 0.729 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450962 590328562 /nfs/dbraw/zinc/32/85/62/590328562.db2.gz IVCFKYXEWYGITQ-BNDIWNMDSA-N 1 3 249.358 0.432 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450963 590328920 /nfs/dbraw/zinc/32/89/20/590328920.db2.gz IVCFKYXEWYGITQ-LBELIVKGSA-N 1 3 249.358 0.432 20 0 BCADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CC[C@H]2O)CC1 ZINC000877597533 590371137 /nfs/dbraw/zinc/37/11/37/590371137.db2.gz OXRGHYCEBVDMEP-VXGBXAGGSA-N 1 3 242.363 0.335 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879573657 590808689 /nfs/dbraw/zinc/80/86/89/590808689.db2.gz PJGBNSUXYPKZJP-TUAOUCFPSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879573657 590808691 /nfs/dbraw/zinc/80/86/91/590808691.db2.gz PJGBNSUXYPKZJP-TUAOUCFPSA-N 1 3 228.336 0.020 20 0 BCADHO CC(=O)NCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879570784 590810453 /nfs/dbraw/zinc/81/04/53/590810453.db2.gz IRSZLTNQBGDNPD-STQMWFEESA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)NCCC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879570784 590810458 /nfs/dbraw/zinc/81/04/58/590810458.db2.gz IRSZLTNQBGDNPD-STQMWFEESA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1)OC ZINC000879581341 590822414 /nfs/dbraw/zinc/82/24/14/590822414.db2.gz YRCFIYBGUNBIJN-RWMBFGLXSA-N 1 3 242.363 0.674 20 0 BCADHO COC[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1)OC ZINC000879581341 590822418 /nfs/dbraw/zinc/82/24/18/590822418.db2.gz YRCFIYBGUNBIJN-RWMBFGLXSA-N 1 3 242.363 0.674 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N(C)C ZINC000129810531 591410541 /nfs/dbraw/zinc/41/05/41/591410541.db2.gz MCYJLZZKCRLZAU-WCBMZHEXSA-N 1 3 213.325 0.180 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1 ZINC000131207376 591571794 /nfs/dbraw/zinc/57/17/94/591571794.db2.gz UBYNHJWKUKCFFY-GFCCVEGCSA-N 1 3 237.278 0.785 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)[C@]2(F)CCNC2)cc1 ZINC000131207182 591571925 /nfs/dbraw/zinc/57/19/25/591571925.db2.gz UBYNHJWKUKCFFY-LBPRGKRZSA-N 1 3 237.278 0.785 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H]1C[C@H](F)CN1 ZINC000883429612 591660028 /nfs/dbraw/zinc/66/00/28/591660028.db2.gz AHFQOCBJMDKKFY-LPEHRKFASA-N 1 3 217.332 0.649 20 0 BCADHO CN(C[C@@H]1C[C@H](F)C[NH2+]1)C[C@@H]1CCCN1C ZINC000883433946 591664073 /nfs/dbraw/zinc/66/40/73/591664073.db2.gz CGSFTRNAZUFHEB-SRVKXCTJSA-N 1 3 229.343 0.712 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCN1CCOC1=O ZINC000883441148 591668861 /nfs/dbraw/zinc/66/88/61/591668861.db2.gz IHBCNQUQGPUWIO-RKDXNWHRSA-N 1 3 227.308 0.154 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCN1CCOC1=O ZINC000883441148 591668863 /nfs/dbraw/zinc/66/88/63/591668863.db2.gz IHBCNQUQGPUWIO-RKDXNWHRSA-N 1 3 227.308 0.154 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H](CF)C1 ZINC000883447534 591671037 /nfs/dbraw/zinc/67/10/37/591671037.db2.gz DZHBCSYFOHKUCR-UWVGGRQHSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000883447534 591671039 /nfs/dbraw/zinc/67/10/39/591671039.db2.gz DZHBCSYFOHKUCR-UWVGGRQHSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](CF)C1 ZINC000883447534 591671040 /nfs/dbraw/zinc/67/10/40/591671040.db2.gz DZHBCSYFOHKUCR-UWVGGRQHSA-N 1 3 204.289 0.248 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873024 591744830 /nfs/dbraw/zinc/74/48/30/591744830.db2.gz CRUZKQQMAWLECE-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873024 591744832 /nfs/dbraw/zinc/74/48/32/591744832.db2.gz CRUZKQQMAWLECE-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000132968442 591751375 /nfs/dbraw/zinc/75/13/75/591751375.db2.gz SIHOOBDCXLALAL-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884026631 591808759 /nfs/dbraw/zinc/80/87/59/591808759.db2.gz IGWWIRCWJHDMKB-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000884030200 591813921 /nfs/dbraw/zinc/81/39/21/591813921.db2.gz JAXVNOXWCIJCAK-UTUOFQBUSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884035202 591817400 /nfs/dbraw/zinc/81/74/00/591817400.db2.gz UPXYPAZWWJSJGN-AAEUAGOBSA-N 1 3 241.379 0.994 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)C ZINC000884199159 591872599 /nfs/dbraw/zinc/87/25/99/591872599.db2.gz QWVYUYIHLDBFBR-QWRGUYRKSA-N 1 3 229.368 0.687 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](N)CC2CC2)C1 ZINC000884227649 591875125 /nfs/dbraw/zinc/87/51/25/591875125.db2.gz VARWXFITIACMSP-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](N)CC2CC2)C1 ZINC000884227649 591875129 /nfs/dbraw/zinc/87/51/29/591875129.db2.gz VARWXFITIACMSP-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000884244672 591882097 /nfs/dbraw/zinc/88/20/97/591882097.db2.gz JJQMNSWUDRYUCA-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000884247470 591883064 /nfs/dbraw/zinc/88/30/64/591883064.db2.gz VXDHECODSUOYRI-SECBINFHSA-N 1 3 211.309 0.111 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000884293480 591895619 /nfs/dbraw/zinc/89/56/19/591895619.db2.gz DHXQIHFVQGQLCC-QJPTWQEYSA-N 1 3 237.347 0.324 20 0 BCADHO CN(C(=O)[C@@H](N)CC1CC1)C1CC([NH3+])C1 ZINC000884298434 591897960 /nfs/dbraw/zinc/89/79/60/591897960.db2.gz RJZNAVJXSGVBIJ-RTBKNWGFSA-N 1 3 211.309 0.062 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884304434 591898957 /nfs/dbraw/zinc/89/89/57/591898957.db2.gz OPXWJKWQEUOTDE-ZJUUUORDSA-N 1 3 225.336 0.371 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]([NH3+])CC2CC2)CCN1 ZINC000884304950 591900961 /nfs/dbraw/zinc/90/09/61/591900961.db2.gz GSADSLGNIOFYFA-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884338822 591904189 /nfs/dbraw/zinc/90/41/89/591904189.db2.gz TVIOBLNFMCXEIQ-VHSXEESVSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347814 591909129 /nfs/dbraw/zinc/90/91/29/591909129.db2.gz HBQVGEWUNSJRCW-AEJSXWLSSA-N 1 3 227.352 0.602 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884344643 591909067 /nfs/dbraw/zinc/90/90/67/591909067.db2.gz LZZMIVRCWLUKKC-AAEUAGOBSA-N 1 3 237.347 0.468 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884347756 591909167 /nfs/dbraw/zinc/90/91/67/591909167.db2.gz DZKRTTBCTHDQJH-CIUDSAMLSA-N 1 3 245.392 0.309 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348291 591909664 /nfs/dbraw/zinc/90/96/64/591909664.db2.gz TZHFHYYCHKUXES-IWSPIJDZSA-N 1 3 227.352 0.602 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000884348084 591909754 /nfs/dbraw/zinc/90/97/54/591909754.db2.gz NSOGEQMIICIYBJ-IVZWLZJFSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358762 591912423 /nfs/dbraw/zinc/91/24/23/591912423.db2.gz XOLXHRSONUOCBH-VHSXEESVSA-N 1 3 227.352 0.569 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884357611 591912579 /nfs/dbraw/zinc/91/25/79/591912579.db2.gz BCGVJELAMFPLLY-QEYWKRMJSA-N 1 3 227.352 0.602 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000884358857 591913011 /nfs/dbraw/zinc/91/30/11/591913011.db2.gz ZNUCGPISUYEMDO-AXFHLTTASA-N 1 3 241.379 0.815 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H](N)C1CCC1 ZINC000884361433 591914750 /nfs/dbraw/zinc/91/47/50/591914750.db2.gz SHKJQTKVSLFLNA-OPRDCNLKSA-N 1 3 225.336 0.356 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000884388677 591921805 /nfs/dbraw/zinc/92/18/05/591921805.db2.gz CPLFEGMQQFDRFH-LBPRGKRZSA-N 1 3 239.363 0.620 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000884390463 591923350 /nfs/dbraw/zinc/92/33/50/591923350.db2.gz WWSUAPTWZILRRN-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H](N)CC1CC1 ZINC000884389911 591923364 /nfs/dbraw/zinc/92/33/64/591923364.db2.gz JCDYHIXQJBMVCM-DVVUODLYSA-N 1 3 225.336 0.452 20 0 BCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884430535 591931887 /nfs/dbraw/zinc/93/18/87/591931887.db2.gz SRJJBBZUIGSKNF-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO COCC[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449609 591937117 /nfs/dbraw/zinc/93/71/17/591937117.db2.gz JLTPPUSNBBFNAK-WDEREUQCSA-N 1 3 243.351 0.080 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449947 591938589 /nfs/dbraw/zinc/93/85/89/591938589.db2.gz SNGWQEYVYABOGB-NWDGAFQWSA-N 1 3 239.363 0.844 20 0 BCADHO CN(CCO)CCNc1cc[nH+]cc1C1CC1 ZINC000884826334 592023555 /nfs/dbraw/zinc/02/35/55/592023555.db2.gz ZKSQOKRCCMUVIY-UHFFFAOYSA-N 1 3 235.331 0.717 20 0 BCADHO CCc1cc(NCCN(C)CCO)cc[nH+]1 ZINC000884825210 592024063 /nfs/dbraw/zinc/02/40/63/592024063.db2.gz LHVRWVBYYVHIQC-UHFFFAOYSA-N 1 3 223.320 0.402 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000137394971 592175761 /nfs/dbraw/zinc/17/57/61/592175761.db2.gz SPHAXXOYXMQVCQ-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000137383711 592176123 /nfs/dbraw/zinc/17/61/23/592176123.db2.gz SZDVZKMMXRMNKV-ZYHUDNBSSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N1CCCC1 ZINC000137447002 592183868 /nfs/dbraw/zinc/18/38/68/592183868.db2.gz DUKYHPBQSMCKEU-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@@H+]1CC[C@@H](N[C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251377 592186642 /nfs/dbraw/zinc/18/66/42/592186642.db2.gz BKHXVXANWCMNKY-WISYIIOYSA-N 1 3 242.363 0.333 20 0 BCADHO C[N@H+]1CC[C@@H](N[C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251377 592186644 /nfs/dbraw/zinc/18/66/44/592186644.db2.gz BKHXVXANWCMNKY-WISYIIOYSA-N 1 3 242.363 0.333 20 0 BCADHO NC[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886826981 592348209 /nfs/dbraw/zinc/34/82/09/592348209.db2.gz BBOOSSBZJZEEJZ-SRVKXCTJSA-N 1 3 210.321 0.694 20 0 BCADHO NC[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886826981 592348211 /nfs/dbraw/zinc/34/82/11/592348211.db2.gz BBOOSSBZJZEEJZ-SRVKXCTJSA-N 1 3 210.321 0.694 20 0 BCADHO C([C@H]1C[C@]12CCOC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000886838412 592358583 /nfs/dbraw/zinc/35/85/83/592358583.db2.gz XBFJAIXCPDUXNU-XQHKEYJVSA-N 1 3 222.332 0.564 20 0 BCADHO CCN(C[C@H]1CCC2(CNC2)O1)[C@H]1CC[NH2+]C1 ZINC000886847059 592365608 /nfs/dbraw/zinc/36/56/08/592365608.db2.gz YACVRGAIPNPYKB-NWDGAFQWSA-N 1 3 239.363 0.191 20 0 BCADHO c1nnn2c1CN(CC1CC[NH2+]CC1)CCC2 ZINC000886858048 592370677 /nfs/dbraw/zinc/37/06/77/592370677.db2.gz KKHGXCOSUNNWSQ-UHFFFAOYSA-N 1 3 235.335 0.483 20 0 BCADHO C[C@@H](CNC(=[NH2+])NCC(F)F)N1CCCC1 ZINC000887348789 592484715 /nfs/dbraw/zinc/48/47/15/592484715.db2.gz XMHFLGDKVPKFLN-QMMMGPOBSA-N 1 3 234.294 0.850 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223310247 592527271 /nfs/dbraw/zinc/52/72/71/592527271.db2.gz TWRJGHHRVKSJLW-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223310247 592527273 /nfs/dbraw/zinc/52/72/73/592527273.db2.gz TWRJGHHRVKSJLW-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000302695369 592552585 /nfs/dbraw/zinc/55/25/85/592552585.db2.gz UKKQJSQPUSYBQH-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925703945 634382082 /nfs/dbraw/zinc/38/20/82/634382082.db2.gz WMWXJFBXIFYCCR-RGOKHQFPSA-N 1 3 223.320 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925703942 634382413 /nfs/dbraw/zinc/38/24/13/634382413.db2.gz WMWXJFBXIFYCCR-QCLAVDOMSA-N 1 3 223.320 0.110 20 0 BCADHO CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001026916911 634390444 /nfs/dbraw/zinc/39/04/44/634390444.db2.gz RRRGQPNZPMBAHV-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925708187 634399471 /nfs/dbraw/zinc/39/94/71/634399471.db2.gz GMIMUFXLCGRTPU-WRWGMCAJSA-N 1 3 242.363 0.896 20 0 BCADHO CC[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217010 634457737 /nfs/dbraw/zinc/45/77/37/634457737.db2.gz DNVQXUFOMJIXBM-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310228416 635431793 /nfs/dbraw/zinc/43/17/93/635431793.db2.gz YQRNLAGXADEYMW-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1CNC1 ZINC000925832107 635472387 /nfs/dbraw/zinc/47/23/87/635472387.db2.gz QTDPEUFCDYBZKT-XZUYRWCXSA-N 1 3 222.332 0.775 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CNC(=O)C1 ZINC000925841229 635506727 /nfs/dbraw/zinc/50/67/27/635506727.db2.gz ZQFKKKJSTQAAJO-DCAQKATOSA-N 1 3 225.336 0.243 20 0 BCADHO C(COC1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000925878742 635605415 /nfs/dbraw/zinc/60/54/15/635605415.db2.gz ZAOCLLWNCHJJKP-GFCCVEGCSA-N 1 3 242.363 0.914 20 0 BCADHO C[C@H]([NH3+])C1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000082679990 631410964 /nfs/dbraw/zinc/41/09/64/631410964.db2.gz OLSKMGRLEASOHR-CBAPKCEASA-N 1 3 240.269 0.969 20 0 BCADHO COC[C@@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000068890889 631789137 /nfs/dbraw/zinc/78/91/37/631789137.db2.gz ITYHMKRSPRLNGQ-MXWKQRLJSA-N 1 3 216.325 0.053 20 0 BCADHO [NH3+]C[C@@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000309014274 631798646 /nfs/dbraw/zinc/79/86/46/631798646.db2.gz QJBKDSMILPEOKH-JTQLQIEISA-N 1 3 208.309 0.623 20 0 BCADHO C[C@@H]1CN(CC(=O)NC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000122290512 632060093 /nfs/dbraw/zinc/06/00/93/632060093.db2.gz QGXAUDIGTGGZKQ-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO CCOC[C@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250532130 635699789 /nfs/dbraw/zinc/69/97/89/635699789.db2.gz SAEDQINCRXTDAA-SDDRHHMPSA-N 1 3 230.352 0.443 20 0 BCADHO CCC(C)(C)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000125538792 632108922 /nfs/dbraw/zinc/10/89/22/632108922.db2.gz YXYPTUDLGJESIT-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC000226539951 632408310 /nfs/dbraw/zinc/40/83/10/632408310.db2.gz VYXREODAAHPIOT-CMPLNLGQSA-N 1 3 222.336 0.632 20 0 BCADHO Cc1cccc([C@@H](C)NC(CN)C[NH3+])c1 ZINC000309509252 632432889 /nfs/dbraw/zinc/43/28/89/632432889.db2.gz WVYHHTIESPQYDB-SNVBAGLBSA-N 1 3 207.321 0.932 20 0 BCADHO COCC[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000052790779 632489310 /nfs/dbraw/zinc/48/93/10/632489310.db2.gz OHIOXEVTYRWWJG-SNVBAGLBSA-N 1 3 245.367 0.054 20 0 BCADHO COCCNC(=[NH2+])NCCN1CCCCCC1 ZINC000066245405 632861032 /nfs/dbraw/zinc/86/10/32/632861032.db2.gz ORZKMHYDZUJZCS-UHFFFAOYSA-N 1 3 242.367 0.413 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000892549488 632957944 /nfs/dbraw/zinc/95/79/44/632957944.db2.gz UFIQUWKVKVZHSI-YTWAJWBKSA-N 1 3 240.351 0.116 20 0 BCADHO Cc1cc(NC[C@@H](C)C[NH+](C)C)nc(N)n1 ZINC000309806395 633764035 /nfs/dbraw/zinc/76/40/35/633764035.db2.gz XRRXIOCBDXYYDG-MRVPVSSYSA-N 1 3 223.324 0.977 20 0 BCADHO Cc1nccn1CCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328511294 633776628 /nfs/dbraw/zinc/77/66/28/633776628.db2.gz BMKPUXVKGIWZTL-MEBFFEOJSA-N 1 3 246.358 0.778 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925511428 633851734 /nfs/dbraw/zinc/85/17/34/633851734.db2.gz MVBUKNHEQSQUCY-GMTAPVOTSA-N 1 3 235.335 0.526 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925511428 633851736 /nfs/dbraw/zinc/85/17/36/633851736.db2.gz MVBUKNHEQSQUCY-GMTAPVOTSA-N 1 3 235.335 0.526 20 0 BCADHO C(CN1CCCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925525562 633903983 /nfs/dbraw/zinc/90/39/83/633903983.db2.gz IBMIODYBFLCTRW-CYBMUJFWSA-N 1 3 241.379 0.440 20 0 BCADHO COC[C@H](CO)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925661324 634225438 /nfs/dbraw/zinc/22/54/38/634225438.db2.gz DCZOGMDAEHXGDU-DCAQKATOSA-N 1 3 230.352 0.489 20 0 BCADHO COC[C@H](CO)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925661325 634226757 /nfs/dbraw/zinc/22/67/57/634226757.db2.gz DCZOGMDAEHXGDU-MXWKQRLJSA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236702740 634368605 /nfs/dbraw/zinc/36/86/05/634368605.db2.gz IMFKOAALTULNCO-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CCOC1 ZINC000925782357 635278513 /nfs/dbraw/zinc/27/85/13/635278513.db2.gz JNOLGCZTRIICAX-WRWGMCAJSA-N 1 3 212.337 0.999 20 0 BCADHO CO[C@@H](C)[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792934 635324426 /nfs/dbraw/zinc/32/44/26/635324426.db2.gz XCKISMFDRQGOOS-RCWTZXSCSA-N 1 3 200.326 0.855 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987059405 636619904 /nfs/dbraw/zinc/61/99/04/636619904.db2.gz QPEADOSVJCNYPK-MWLCHTKSSA-N 1 3 236.319 0.551 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987529989 636652246 /nfs/dbraw/zinc/65/22/46/636652246.db2.gz FRGVHNIWJRCWDF-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989493158 636859184 /nfs/dbraw/zinc/85/91/84/636859184.db2.gz RNGWNUMKFPLDLH-ONGXEEELSA-N 1 3 236.319 0.551 20 0 BCADHO CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989493153 636859592 /nfs/dbraw/zinc/85/95/92/636859592.db2.gz RNGWNUMKFPLDLH-GXSJLCMTSA-N 1 3 236.319 0.551 20 0 BCADHO CNC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000323014941 636888892 /nfs/dbraw/zinc/88/88/92/636888892.db2.gz IJFYXFYNIACYGG-WAAKLRNESA-N 1 3 239.363 0.726 20 0 BCADHO CNC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000323014941 636888895 /nfs/dbraw/zinc/88/88/95/636888895.db2.gz IJFYXFYNIACYGG-WAAKLRNESA-N 1 3 239.363 0.726 20 0 BCADHO CC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990279624 636927344 /nfs/dbraw/zinc/92/73/44/636927344.db2.gz XVFDSROCCYHFON-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1COCCO1 ZINC000924723861 637035695 /nfs/dbraw/zinc/03/56/95/637035695.db2.gz MPKMIVVJGYHLOG-FXJUQPSGSA-N 1 3 240.347 0.332 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NCC2(CO)COC2)C1 ZINC000902363470 637300585 /nfs/dbraw/zinc/30/05/85/637300585.db2.gz VKQWQIPFCSRJSY-LLVKDONJSA-N 1 3 242.363 0.363 20 0 BCADHO N[C@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000903551321 637371555 /nfs/dbraw/zinc/37/15/55/637371555.db2.gz FHGVDZOGHXMAHV-SRVKXCTJSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000903551321 637371561 /nfs/dbraw/zinc/37/15/61/637371561.db2.gz FHGVDZOGHXMAHV-SRVKXCTJSA-N 1 3 210.321 0.836 20 0 BCADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCOCC1 ZINC000903722924 637378826 /nfs/dbraw/zinc/37/88/26/637378826.db2.gz QQFFHVIADWKXFK-OLZOCXBDSA-N 1 3 240.347 0.477 20 0 BCADHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCSCC1 ZINC000903722969 637380029 /nfs/dbraw/zinc/38/00/29/637380029.db2.gz FNHDMYKARHWYGX-VXGBXAGGSA-N 1 3 242.388 0.804 20 0 BCADHO [NH3+][C@H](CN[C@H]1COC[C@@H]1C1CC1)CC(F)F ZINC000904474539 637426486 /nfs/dbraw/zinc/42/64/86/637426486.db2.gz GIKFMNJQZIUXOV-AEJSXWLSSA-N 1 3 234.290 0.984 20 0 BCADHO C[C@@H]([NH3+])Cn1cc(CNC(C)(C)C)nn1 ZINC000905058618 637592171 /nfs/dbraw/zinc/59/21/71/637592171.db2.gz JUJBOUNJXPNBCV-MRVPVSSYSA-N 1 3 211.313 0.513 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000906092245 638052195 /nfs/dbraw/zinc/05/21/95/638052195.db2.gz WNMHTWXDLAOTFN-AXFHLTTASA-N 1 3 227.352 0.474 20 0 BCADHO [NH3+]C1CC(NCc2nc3c(s2)CNCC3)C1 ZINC000906510576 638183774 /nfs/dbraw/zinc/18/37/74/638183774.db2.gz MECHMBRNBGOYQQ-UHFFFAOYSA-N 1 3 238.360 0.368 20 0 BCADHO COC(=O)N1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC000906518433 638187183 /nfs/dbraw/zinc/18/71/83/638187183.db2.gz NNYIOZNWWVTXRK-CZMCAQCFSA-N 1 3 227.308 0.297 20 0 BCADHO COC(=O)N1CCC(N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000906518433 638187187 /nfs/dbraw/zinc/18/71/87/638187187.db2.gz NNYIOZNWWVTXRK-CZMCAQCFSA-N 1 3 227.308 0.297 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC000908288927 638634687 /nfs/dbraw/zinc/63/46/87/638634687.db2.gz FXLJWKCCMOOOKD-MNOVXSKESA-N 1 3 248.330 0.362 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC000908288927 638634690 /nfs/dbraw/zinc/63/46/90/638634690.db2.gz FXLJWKCCMOOOKD-MNOVXSKESA-N 1 3 248.330 0.362 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911671722 639697526 /nfs/dbraw/zinc/69/75/26/639697526.db2.gz AOCFJYVYLVUOSC-ZYHUDNBSSA-N 1 3 241.379 0.866 20 0 BCADHO [NH3+]CCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC000911648623 639705489 /nfs/dbraw/zinc/70/54/89/639705489.db2.gz QPWXBLITMBDHQP-UHFFFAOYSA-N 1 3 249.314 0.247 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652384 639709319 /nfs/dbraw/zinc/70/93/19/639709319.db2.gz PWRSKOURODOWBG-IVZWLZJFSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656366 639711333 /nfs/dbraw/zinc/71/13/33/639711333.db2.gz LVJDXKLFVSLYAI-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692589 639729243 /nfs/dbraw/zinc/72/92/43/639729243.db2.gz TWGDYTMGJIKDGM-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](O)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461390 639761205 /nfs/dbraw/zinc/76/12/05/639761205.db2.gz VXCOWRSEHALIJF-OCIKQUFWSA-N 1 3 242.363 0.285 20 0 BCADHO C[C@@H](O)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461390 639761214 /nfs/dbraw/zinc/76/12/14/639761214.db2.gz VXCOWRSEHALIJF-OCIKQUFWSA-N 1 3 242.363 0.285 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737047 639763115 /nfs/dbraw/zinc/76/31/15/639763115.db2.gz QWPDOHIZEWFPTG-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000911752108 639779709 /nfs/dbraw/zinc/77/97/09/639779709.db2.gz JZXKVEZGVDZCTP-GXSJLCMTSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762478 639788140 /nfs/dbraw/zinc/78/81/40/639788140.db2.gz OYMFRIIPDNICEY-JTQLQIEISA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911773085 639796451 /nfs/dbraw/zinc/79/64/51/639796451.db2.gz AKIGAAKHYAYZSL-SDDRHHMPSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C[C@@H](C)N1 ZINC000911796277 639818803 /nfs/dbraw/zinc/81/88/03/639818803.db2.gz NGMCXLSPOJGLCT-GMTAPVOTSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911832227 639844133 /nfs/dbraw/zinc/84/41/33/639844133.db2.gz GXLLIMWDFRRMFJ-JMJZKYOTSA-N 1 3 227.352 0.603 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CCSC ZINC000911864614 639851877 /nfs/dbraw/zinc/85/18/77/639851877.db2.gz SGFMSNCEXFKJJX-VHSXEESVSA-N 1 3 245.392 0.277 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911847548 639855988 /nfs/dbraw/zinc/85/59/88/639855988.db2.gz ZCNIYOKBTCGGRJ-RKDXNWHRSA-N 1 3 231.365 0.017 20 0 BCADHO CC(C)(C)[C@@H]([NH3+])CC(=O)N1CCNCC1(C)C ZINC000911847791 639856681 /nfs/dbraw/zinc/85/66/81/639856681.db2.gz QENQBNNTNZBGRQ-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911852133 639858655 /nfs/dbraw/zinc/85/86/55/639858655.db2.gz NGBIWGJRENFLRZ-AXFHLTTASA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](CO)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823255 639924832 /nfs/dbraw/zinc/92/48/32/639924832.db2.gz GSHGSEYVUUXDRT-LBPRGKRZSA-N 1 3 242.363 0.554 20 0 BCADHO CC[C@H](CO)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823254 639926171 /nfs/dbraw/zinc/92/61/71/639926171.db2.gz GSHGSEYVUUXDRT-GFCCVEGCSA-N 1 3 242.363 0.554 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC000931441913 640201997 /nfs/dbraw/zinc/20/19/97/640201997.db2.gz QRGGFBKYSYMFMM-WOPDTQHZSA-N 1 3 237.347 0.149 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC(=O)N3)C[C@@H]2C1 ZINC000931441913 640202002 /nfs/dbraw/zinc/20/20/02/640202002.db2.gz QRGGFBKYSYMFMM-WOPDTQHZSA-N 1 3 237.347 0.149 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438798 640204072 /nfs/dbraw/zinc/20/40/72/640204072.db2.gz OSRQZIUVEQYEBJ-WOPDTQHZSA-N 1 3 238.331 0.576 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438798 640204073 /nfs/dbraw/zinc/20/40/73/640204073.db2.gz OSRQZIUVEQYEBJ-WOPDTQHZSA-N 1 3 238.331 0.576 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3COCCO3)C[C@@H]2C1 ZINC000931439289 640205587 /nfs/dbraw/zinc/20/55/87/640205587.db2.gz TYGIBDKUHILNQP-AGIUHOORSA-N 1 3 240.347 0.285 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3COCCO3)C[C@@H]2C1 ZINC000931439289 640205591 /nfs/dbraw/zinc/20/55/91/640205591.db2.gz TYGIBDKUHILNQP-AGIUHOORSA-N 1 3 240.347 0.285 20 0 BCADHO CC[NH2+]CC(=O)NCCN1CCC(C)CC1 ZINC000044651227 640448354 /nfs/dbraw/zinc/44/83/54/640448354.db2.gz CTSDSDWKNOWKIC-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO [NH3+]CCCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726751 640461759 /nfs/dbraw/zinc/46/17/59/640461759.db2.gz QAYUKVNNXZJMGM-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000167120963 640702264 /nfs/dbraw/zinc/70/22/64/640702264.db2.gz UHPIEVJORZHBBC-VIFPVBQESA-N 1 3 209.297 0.394 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000877104318 640752973 /nfs/dbraw/zinc/75/29/73/640752973.db2.gz AAGCUHHQEPILRE-VIFPVBQESA-N 1 3 225.336 0.454 20 0 BCADHO CCNC(=O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741910 640759857 /nfs/dbraw/zinc/75/98/57/640759857.db2.gz AXKAEFSFBUUMOD-WCQYABFASA-N 1 3 239.363 0.396 20 0 BCADHO CCNC(=O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741910 640759861 /nfs/dbraw/zinc/75/98/61/640759861.db2.gz AXKAEFSFBUUMOD-WCQYABFASA-N 1 3 239.363 0.396 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040673691 641535421 /nfs/dbraw/zinc/53/54/21/641535421.db2.gz PUOAKJFPYKSWLD-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967709067 642802613 /nfs/dbraw/zinc/80/26/13/642802613.db2.gz VCQBMNOFVGHHSZ-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](N)CC(C)C ZINC000069803151 642918441 /nfs/dbraw/zinc/91/84/41/642918441.db2.gz HTNRHFSSYFLEAU-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001018966609 643017286 /nfs/dbraw/zinc/01/72/86/643017286.db2.gz NOUYZUHILJVCHJ-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)N(C)C ZINC001019395068 643030549 /nfs/dbraw/zinc/03/05/49/643030549.db2.gz ZDTZLPSZFGUMAL-QWRGUYRKSA-N 1 3 245.342 0.487 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000969947152 643253663 /nfs/dbraw/zinc/25/36/63/643253663.db2.gz BEOWUEORTDUQNI-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000969955694 643256377 /nfs/dbraw/zinc/25/63/77/643256377.db2.gz RMJFZQFYTMXSOP-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCOC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000068953521 643436853 /nfs/dbraw/zinc/43/68/53/643436853.db2.gz CISVCRYDICWQSD-MNOVXSKESA-N 1 3 216.325 0.055 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)[NH3+])N1CCCCC1 ZINC000040924294 643493033 /nfs/dbraw/zinc/49/30/33/643493033.db2.gz BFGIYXLHJXIRTM-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](O)CN(C)C1(C[NH3+])CCCCC1 ZINC000083676565 643542020 /nfs/dbraw/zinc/54/20/20/643542020.db2.gz IVJQTQHPVTWUNP-SNVBAGLBSA-N 1 3 200.326 0.961 20 0 BCADHO CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307786 643608216 /nfs/dbraw/zinc/60/82/16/643608216.db2.gz UWEFPYIPJQCMSG-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000084221165 643650950 /nfs/dbraw/zinc/65/09/50/643650950.db2.gz XMPGSXFHLKWICO-GHMZBOCLSA-N 1 3 227.352 0.620 20 0 BCADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084221165 643650953 /nfs/dbraw/zinc/65/09/53/643650953.db2.gz XMPGSXFHLKWICO-GHMZBOCLSA-N 1 3 227.352 0.620 20 0 BCADHO CC[C@@H](CO)[NH+]1CCC(N(C)C)CC1 ZINC000929264418 643866134 /nfs/dbraw/zinc/86/61/34/643866134.db2.gz SBWMGTLIEUNKRA-JTQLQIEISA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCO ZINC000086500853 644143606 /nfs/dbraw/zinc/14/36/06/644143606.db2.gz YPODRGLJQTVOGU-WDEREUQCSA-N 1 3 200.326 0.879 20 0 BCADHO OC[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000923004476 644228876 /nfs/dbraw/zinc/22/88/76/644228876.db2.gz FDZIICJRLYUAJT-FDYHWXHSSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000923004476 644228879 /nfs/dbraw/zinc/22/88/79/644228879.db2.gz FDZIICJRLYUAJT-FDYHWXHSSA-N 1 3 224.348 0.974 20 0 BCADHO CC(C)COC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923279851 644310939 /nfs/dbraw/zinc/31/09/39/644310939.db2.gz DQVNKGZDFGDJSJ-OLZOCXBDSA-N 1 3 244.379 0.691 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000923279585 644311884 /nfs/dbraw/zinc/31/18/84/644311884.db2.gz QSPNWBTUZZMUJB-AGIUHOORSA-N 1 3 244.379 0.976 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000923279585 644311890 /nfs/dbraw/zinc/31/18/90/644311890.db2.gz QSPNWBTUZZMUJB-AGIUHOORSA-N 1 3 244.379 0.976 20 0 BCADHO CSC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923279428 644312501 /nfs/dbraw/zinc/31/25/01/644312501.db2.gz AQKBPISKKGCBNM-UWVGGRQHSA-N 1 3 218.366 0.381 20 0 BCADHO CC(C)OCC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923279479 644312829 /nfs/dbraw/zinc/31/28/29/644312829.db2.gz CCMCKCIGQQROPY-QWHCGFSZSA-N 1 3 244.379 0.833 20 0 BCADHO CCOCCOCCN1CC[C@@H](C[NH3+])C1 ZINC000923282520 644318043 /nfs/dbraw/zinc/31/80/43/644318043.db2.gz VIHRAFXXOPFGHY-NSHDSACASA-N 1 3 216.325 0.320 20 0 BCADHO CCOCC[C@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923290192 644322506 /nfs/dbraw/zinc/32/25/06/644322506.db2.gz VLQBYJXREZPXOM-AVGNSLFASA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC000923293039 644330349 /nfs/dbraw/zinc/33/03/49/644330349.db2.gz PDXFMSZNGRKWQO-VXGBXAGGSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H]1CN ZINC000923293039 644330351 /nfs/dbraw/zinc/33/03/51/644330351.db2.gz PDXFMSZNGRKWQO-VXGBXAGGSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCCOCCN[C@@](C)(C[NH3+])C1CC1 ZINC000923296472 644335429 /nfs/dbraw/zinc/33/54/29/644335429.db2.gz SRZGBBQAIYWUKW-LBPRGKRZSA-N 1 3 230.352 0.757 20 0 BCADHO CSC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923298400 644337291 /nfs/dbraw/zinc/33/72/91/644337291.db2.gz BLZMNVNEQKRSTC-VHSXEESVSA-N 1 3 220.382 0.673 20 0 BCADHO C[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)S1 ZINC000923309253 644346072 /nfs/dbraw/zinc/34/60/72/644346072.db2.gz OPHUHLKFLCJSOE-QHZLYTNSSA-N 1 3 230.377 0.663 20 0 BCADHO C[C@@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311041 644346448 /nfs/dbraw/zinc/34/64/48/644346448.db2.gz FRQSALPOVZNAKL-GHMZBOCLSA-N 1 3 242.388 0.802 20 0 BCADHO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H](C)S1 ZINC000923309255 644347307 /nfs/dbraw/zinc/34/73/07/644347307.db2.gz OPHUHLKFLCJSOE-UVOCVTCTSA-N 1 3 230.377 0.663 20 0 BCADHO CCOCCOCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923330425 644349224 /nfs/dbraw/zinc/34/92/24/644349224.db2.gz FDGUIVMZLUIRRA-VXGBXAGGSA-N 1 3 230.352 0.709 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923333196 644353583 /nfs/dbraw/zinc/35/35/83/644353583.db2.gz VLQVLOHXSBSURT-YNEHKIRRSA-N 1 3 244.379 0.689 20 0 BCADHO CSC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000923333995 644353924 /nfs/dbraw/zinc/35/39/24/644353924.db2.gz FBOYKKGLOSSLFQ-GHMZBOCLSA-N 1 3 232.393 0.784 20 0 BCADHO CC[C@@H]1CN(C[C@H](O)CSC)CC[C@@H]1[NH3+] ZINC000923344322 644365436 /nfs/dbraw/zinc/36/54/36/644365436.db2.gz GHMBKYPGYNUVCM-VWYCJHECSA-N 1 3 232.393 0.770 20 0 BCADHO CC(=O)Nc1cccc(CNC(CN)C[NH3+])c1 ZINC000923351308 644366360 /nfs/dbraw/zinc/36/63/60/644366360.db2.gz HLVIFSMFOXWKDD-UHFFFAOYSA-N 1 3 236.319 0.021 20 0 BCADHO NCC(C[NH3+])NCCOc1ccccc1F ZINC000923353365 644369265 /nfs/dbraw/zinc/36/92/65/644369265.db2.gz UZOBXPQUQGFRIO-UHFFFAOYSA-N 1 3 227.283 0.080 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1cc(F)ccc1F ZINC000923352305 644369391 /nfs/dbraw/zinc/36/93/91/644369391.db2.gz UGLQWUSZLZOGHX-ZETCQYMHSA-N 1 3 229.274 0.901 20 0 BCADHO NCC(CN)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000923352632 644369411 /nfs/dbraw/zinc/36/94/11/644369411.db2.gz YNZWJNLNIFTRHT-UHFFFAOYSA-N 1 3 235.331 0.040 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1ccc(F)cc1F ZINC000923351829 644369606 /nfs/dbraw/zinc/36/96/06/644369606.db2.gz NQNDQXZZTJKLDN-ZETCQYMHSA-N 1 3 229.274 0.901 20 0 BCADHO CCc1cccc(OCCNC(CN)C[NH3+])c1 ZINC000923352624 644369822 /nfs/dbraw/zinc/36/98/22/644369822.db2.gz PLWSSFYRDJOESR-UHFFFAOYSA-N 1 3 237.347 0.503 20 0 BCADHO CC1(C)CCC[C@H](C[NH2+]C(CN)CN)O1 ZINC000923356367 644373957 /nfs/dbraw/zinc/37/39/57/644373957.db2.gz MDOUXOMIWIFXMM-SNVBAGLBSA-N 1 3 215.341 0.210 20 0 BCADHO COC[C@@H](O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364220 644375939 /nfs/dbraw/zinc/37/59/39/644375939.db2.gz JXKLQNKVLCLTFP-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO CSC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923368983 644382008 /nfs/dbraw/zinc/38/20/08/644382008.db2.gz IHCMBTPMADSJIH-ZJUUUORDSA-N 1 3 232.393 0.688 20 0 BCADHO CSC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923368983 644382012 /nfs/dbraw/zinc/38/20/12/644382012.db2.gz IHCMBTPMADSJIH-ZJUUUORDSA-N 1 3 232.393 0.688 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NCCO[C@H]1CCOC1 ZINC000923371086 644382922 /nfs/dbraw/zinc/38/29/22/644382922.db2.gz VLYRKMZVWPUXIQ-RYUDHWBXSA-N 1 3 242.363 0.770 20 0 BCADHO NCC(CN)[NH2+]CCCc1ccsc1 ZINC000923359914 644384296 /nfs/dbraw/zinc/38/42/96/644384296.db2.gz WRWREXFINZUUPT-UHFFFAOYSA-N 1 3 213.350 0.556 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NCCO[C@@H]1CCOC1 ZINC000923371087 644384307 /nfs/dbraw/zinc/38/43/07/644384307.db2.gz VLYRKMZVWPUXIQ-VXGBXAGGSA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923372976 644387873 /nfs/dbraw/zinc/38/78/73/644387873.db2.gz KQHLXIGDHVXCKO-NWDGAFQWSA-N 1 3 230.352 0.491 20 0 BCADHO CO[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C ZINC000923374590 644388297 /nfs/dbraw/zinc/38/82/97/644388297.db2.gz ZWZQDIOMJFGLJC-WTPMCQDGSA-N 1 3 228.336 0.194 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCCC(F)(F)CC2)C1 ZINC000923402056 644406267 /nfs/dbraw/zinc/40/62/67/644406267.db2.gz SXVMHCUVGCHUKW-GUBZILKMSA-N 1 3 234.290 0.958 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCO[C@@H]1CCOC1 ZINC000923422440 644418664 /nfs/dbraw/zinc/41/86/64/644418664.db2.gz RXEGVNAQDJEDOB-MXWKQRLJSA-N 1 3 228.336 0.507 20 0 BCADHO CCOCC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923422803 644418726 /nfs/dbraw/zinc/41/87/26/644418726.db2.gz SGNIUDSHLROUNN-DCAQKATOSA-N 1 3 230.352 0.489 20 0 BCADHO CCOCC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923422803 644418728 /nfs/dbraw/zinc/41/87/28/644418728.db2.gz SGNIUDSHLROUNN-DCAQKATOSA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423669 644419833 /nfs/dbraw/zinc/41/98/33/644419833.db2.gz YGNYLFOCMHWIKS-IJLUTSLNSA-N 1 3 244.379 0.735 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923423669 644419839 /nfs/dbraw/zinc/41/98/39/644419839.db2.gz YGNYLFOCMHWIKS-IJLUTSLNSA-N 1 3 244.379 0.735 20 0 BCADHO C[C@@H](O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426882 644422371 /nfs/dbraw/zinc/42/23/71/644422371.db2.gz HRCNTADNTCHGON-NEPJUHHUSA-N 1 3 212.337 0.833 20 0 BCADHO CCCCOC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419472 644424072 /nfs/dbraw/zinc/42/40/72/644424072.db2.gz APPFANBUKVWOSJ-GRYCIOLGSA-N 1 3 244.379 0.879 20 0 BCADHO CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923419472 644424078 /nfs/dbraw/zinc/42/40/78/644424078.db2.gz APPFANBUKVWOSJ-GRYCIOLGSA-N 1 3 244.379 0.879 20 0 BCADHO CC(C)OCC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923419806 644425582 /nfs/dbraw/zinc/42/55/82/644425582.db2.gz CXTLLOZEBCCJRV-SRVKXCTJSA-N 1 3 244.379 0.878 20 0 BCADHO CC(C)OCC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419806 644425586 /nfs/dbraw/zinc/42/55/86/644425586.db2.gz CXTLLOZEBCCJRV-SRVKXCTJSA-N 1 3 244.379 0.878 20 0 BCADHO C(C[NH+]1CCNCCNCC1)[C@H]1CCCO1 ZINC000923460045 644444414 /nfs/dbraw/zinc/44/44/14/644444414.db2.gz OZXCEDNAQKXGCB-GFCCVEGCSA-N 1 3 227.352 0.050 20 0 BCADHO C(C[NH+]1CCNCCNCC1)[C@@H]1C[C@H]1C1CC1 ZINC000923461560 644446005 /nfs/dbraw/zinc/44/60/05/644446005.db2.gz ZBXQTEZCHTVNMW-KGLIPLIRSA-N 1 3 237.391 0.917 20 0 BCADHO CCCNC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923497758 644472722 /nfs/dbraw/zinc/47/27/22/644472722.db2.gz DLAXMOLLGSCWRP-SDDRHHMPSA-N 1 3 241.379 0.818 20 0 BCADHO CSC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515376 644480842 /nfs/dbraw/zinc/48/08/42/644480842.db2.gz FEPCVXJATMOBHI-AXFHLTTASA-N 1 3 230.377 0.252 20 0 BCADHO CCOC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251898159 644829731 /nfs/dbraw/zinc/82/97/31/644829731.db2.gz WOUNUJHSEBOHDR-IJLUTSLNSA-N 1 3 230.352 0.443 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304414951 644905201 /nfs/dbraw/zinc/90/52/01/644905201.db2.gz YTWDGVGTCLHRAG-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000304414951 644905205 /nfs/dbraw/zinc/90/52/05/644905205.db2.gz YTWDGVGTCLHRAG-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000304414951 644905207 /nfs/dbraw/zinc/90/52/07/644905207.db2.gz YTWDGVGTCLHRAG-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615403 645048319 /nfs/dbraw/zinc/04/83/19/645048319.db2.gz KIZGVWCBLMOUFH-NWDGAFQWSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000823615404 645048459 /nfs/dbraw/zinc/04/84/59/645048459.db2.gz KIZGVWCBLMOUFH-RYUDHWBXSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@H](C)N1 ZINC000841855321 645231321 /nfs/dbraw/zinc/23/13/21/645231321.db2.gz MWKOJEXTPJDTEL-PHIMTYICSA-N 1 3 247.342 0.968 20 0 BCADHO Cn1cnc(CC[NH2+]C2[C@@H]3CC[C@H]2CN(C)C3)c1 ZINC000926562344 645283290 /nfs/dbraw/zinc/28/32/90/645283290.db2.gz VSXRDUQZEFXQID-ONXXMXGDSA-N 1 3 248.374 0.892 20 0 BCADHO CC[C@](C)(CC(=O)OC)NC[C@@H]1CC[NH2+]C1 ZINC000843390103 645289944 /nfs/dbraw/zinc/28/99/44/645289944.db2.gz KOGBPFMDMVJTDC-ZYHUDNBSSA-N 1 3 228.336 0.917 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CNC(=O)C1 ZINC000926575347 645292627 /nfs/dbraw/zinc/29/26/27/645292627.db2.gz DOZRVJKIEMKVGT-WHKIEGFNSA-N 1 3 237.347 0.052 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CNC(=O)C1 ZINC000926575344 645293243 /nfs/dbraw/zinc/29/32/43/645293243.db2.gz DOZRVJKIEMKVGT-HQFGAJJPSA-N 1 3 237.347 0.052 20 0 BCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCO ZINC000849023448 645447123 /nfs/dbraw/zinc/44/71/23/645447123.db2.gz VNKKSBJIJZISLB-NSHDSACASA-N 1 3 242.367 0.357 20 0 BCADHO CCO[C@H](CN[C@@H]1COC[C@H]1CC)C[NH+](C)C ZINC000926957626 645502089 /nfs/dbraw/zinc/50/20/89/645502089.db2.gz BSMDCLUFRIOFET-JHJVBQTASA-N 1 3 244.379 0.968 20 0 BCADHO CCO[C@H](CN[C@H]1COC[C@H]1CC)C[NH+](C)C ZINC000926957636 645502453 /nfs/dbraw/zinc/50/24/53/645502453.db2.gz BSMDCLUFRIOFET-UPJWGTAASA-N 1 3 244.379 0.968 20 0 BCADHO C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C ZINC000928429404 645745244 /nfs/dbraw/zinc/74/52/44/645745244.db2.gz BXSMWUYHUAEVFG-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C ZINC000928429402 645747789 /nfs/dbraw/zinc/74/77/89/645747789.db2.gz BXSMWUYHUAEVFG-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C)CN1 ZINC000876796548 645787042 /nfs/dbraw/zinc/78/70/42/645787042.db2.gz GEXRNXRYDWKHHW-HXFLIBJXSA-N 1 3 247.289 0.035 20 0 BCADHO CC1(NC(=O)[C@@H](N)CC2CC2)CC[NH2+]CC1 ZINC000884270475 645872989 /nfs/dbraw/zinc/87/29/89/645872989.db2.gz MWYQEAHZBFFFGL-JTQLQIEISA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369543 645874711 /nfs/dbraw/zinc/87/47/11/645874711.db2.gz HSZIIXFUXXZUDB-OUAUKWLOSA-N 1 3 225.336 0.500 20 0 BCADHO Cc1nccn1CCC[NH2+][C@H]1CNCCOC1 ZINC000925473696 646288872 /nfs/dbraw/zinc/28/88/72/646288872.db2.gz OKYUKVLKBGKAMV-LBPRGKRZSA-N 1 3 238.335 0.160 20 0 BCADHO Cc1nccn1CCCN[C@H]1C[NH2+]CCOC1 ZINC000925473696 646288882 /nfs/dbraw/zinc/28/88/82/646288882.db2.gz OKYUKVLKBGKAMV-LBPRGKRZSA-N 1 3 238.335 0.160 20 0 BCADHO COC1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925543405 646323631 /nfs/dbraw/zinc/32/36/31/646323631.db2.gz SDHQSRUXQPQNHW-CPCZMJQVSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCOC2)CN1C1CC1 ZINC000925543592 646324325 /nfs/dbraw/zinc/32/43/25/646324325.db2.gz VNFLTJAEJNHVBV-GRYCIOLGSA-N 1 3 239.363 0.190 20 0 BCADHO COC1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925543406 646324343 /nfs/dbraw/zinc/32/43/43/646324343.db2.gz SDHQSRUXQPQNHW-OTTFEQOBSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@H]1CCCN(CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925550391 646328491 /nfs/dbraw/zinc/32/84/91/646328491.db2.gz LUDUNSGZYZGCBZ-STQMWFEESA-N 1 3 241.379 0.296 20 0 BCADHO COCCOC[C@H](C)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925576085 646342438 /nfs/dbraw/zinc/34/24/38/646342438.db2.gz VDBVHELJALKJDA-SRVKXCTJSA-N 1 3 242.363 0.897 20 0 BCADHO COCCOC[C@H](C)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925576085 646342443 /nfs/dbraw/zinc/34/24/43/646342443.db2.gz VDBVHELJALKJDA-SRVKXCTJSA-N 1 3 242.363 0.897 20 0 BCADHO CCc1nc(CC[NH2+][C@H]2CCCN[C@@H]2C)no1 ZINC000925590307 646348470 /nfs/dbraw/zinc/34/84/70/646348470.db2.gz OWKMNXZMPAFHDX-ZJUUUORDSA-N 1 3 238.335 0.905 20 0 BCADHO OCCN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925613607 646362490 /nfs/dbraw/zinc/36/24/90/646362490.db2.gz ZUUQLHDECIOAJN-NWDGAFQWSA-N 1 3 212.337 0.737 20 0 BCADHO OCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925613607 646362491 /nfs/dbraw/zinc/36/24/91/646362491.db2.gz ZUUQLHDECIOAJN-NWDGAFQWSA-N 1 3 212.337 0.737 20 0 BCADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621750 646366973 /nfs/dbraw/zinc/36/69/73/646366973.db2.gz NKCDODAAYVBDOQ-GMTAPVOTSA-N 1 3 247.346 0.452 20 0 BCADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621750 646366975 /nfs/dbraw/zinc/36/69/75/646366975.db2.gz NKCDODAAYVBDOQ-GMTAPVOTSA-N 1 3 247.346 0.452 20 0 BCADHO CC(C)[C@@H](CO)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925622844 646369643 /nfs/dbraw/zinc/36/96/43/646369643.db2.gz NHVIDTQAYBIAKH-MXWKQRLJSA-N 1 3 212.337 0.863 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686350 646412646 /nfs/dbraw/zinc/41/26/46/646412646.db2.gz UNXGRQFNXGKKBG-LMLFDSFASA-N 1 3 225.336 0.371 20 0 BCADHO CC1(C)C[C@@H]([NH3+])C[C@H](N[C@@H]2COC[C@H]2O)C1 ZINC000925691373 646416743 /nfs/dbraw/zinc/41/67/43/646416743.db2.gz MWZPLYNBIKNUKC-UKKRHICBSA-N 1 3 228.336 0.242 20 0 BCADHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@@H]2COC[C@H]2O)C1 ZINC000925691369 646417048 /nfs/dbraw/zinc/41/70/48/646417048.db2.gz MWZPLYNBIKNUKC-LNFKQOIKSA-N 1 3 228.336 0.242 20 0 BCADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925692657 646417766 /nfs/dbraw/zinc/41/77/66/646417766.db2.gz OTOGALVHBPLIKU-LLVKDONJSA-N 1 3 237.351 0.356 20 0 BCADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ncc[nH]1 ZINC000925692658 646418505 /nfs/dbraw/zinc/41/85/05/646418505.db2.gz OTOGALVHBPLIKU-NSHDSACASA-N 1 3 237.351 0.356 20 0 BCADHO C[N@H+]1CC=C(CN[C@@H]2C(=O)NCC2(C)C)CC1 ZINC000925709120 646433082 /nfs/dbraw/zinc/43/30/82/646433082.db2.gz SKSRKNXPIWEFEM-LLVKDONJSA-N 1 3 237.347 0.363 20 0 BCADHO C[N@@H+]1CC=C(CN[C@@H]2C(=O)NCC2(C)C)CC1 ZINC000925709120 646433086 /nfs/dbraw/zinc/43/30/86/646433086.db2.gz SKSRKNXPIWEFEM-LLVKDONJSA-N 1 3 237.347 0.363 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925721013 646446727 /nfs/dbraw/zinc/44/67/27/646446727.db2.gz WMWXJFBXIFYCCR-XKNYDFJKSA-N 1 3 223.320 0.110 20 0 BCADHO OC[C@H](C[C@H]1CCCO1)N[C@H]1CCC[NH2+]CC1 ZINC000925767163 646468019 /nfs/dbraw/zinc/46/80/19/646468019.db2.gz NOTRDDVPMRGIAF-RWMBFGLXSA-N 1 3 242.363 0.648 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(N)ccn1 ZINC000925768710 646468396 /nfs/dbraw/zinc/46/83/96/646468396.db2.gz WAHBOKMASWTEST-CABZTGNLSA-N 1 3 220.320 0.751 20 0 BCADHO COC[C@H](CCC[NH3+])NCc1cc(N)ccn1 ZINC000925766340 646468847 /nfs/dbraw/zinc/46/88/47/646468847.db2.gz JCEXEIUSICSWMT-NSHDSACASA-N 1 3 238.335 0.507 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925771198 646470634 /nfs/dbraw/zinc/47/06/34/646470634.db2.gz NAJDLRIAPUBEAI-HOSYDEDBSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000925781845 646479471 /nfs/dbraw/zinc/47/94/71/646479471.db2.gz GTVSMFXSQJUOEP-DNIRFERGSA-N 1 3 223.364 0.667 20 0 BCADHO NC(=O)CC1CC(N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925825336 646498405 /nfs/dbraw/zinc/49/84/05/646498405.db2.gz ZDOGBUFMRVXGAM-HCWSGVFWSA-N 1 3 239.363 0.890 20 0 BCADHO CC[C@H](CN1CCOCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000925825819 646498605 /nfs/dbraw/zinc/49/86/05/646498605.db2.gz IGANQHLAUGQATE-WCQYABFASA-N 1 3 241.379 0.295 20 0 BCADHO C[C@@H](NCCOC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000925878375 646528120 /nfs/dbraw/zinc/52/81/20/646528120.db2.gz UCAARNOBZPWHMD-VXGBXAGGSA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@@H](C)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000723880232 711542880 /nfs/dbraw/zinc/54/28/80/711542880.db2.gz FKUJQKFNCOZWIW-HBNTYKKESA-N 1 3 200.326 0.796 20 0 BCADHO COC[C@@H](C)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000723880232 711542881 /nfs/dbraw/zinc/54/28/81/711542881.db2.gz FKUJQKFNCOZWIW-HBNTYKKESA-N 1 3 200.326 0.796 20 0 BCADHO CC1(CN[C@H]2CCC[C@@H]2C[NH3+])OCCO1 ZINC000716823398 711584717 /nfs/dbraw/zinc/58/47/17/711584717.db2.gz YSKARDCBIBZNRN-ZJUUUORDSA-N 1 3 214.309 0.466 20 0 BCADHO COC[C@@H](CN1CC[C@H]([NH3+])C1)C(C)C ZINC000721963822 711694949 /nfs/dbraw/zinc/69/49/49/711694949.db2.gz LVZUVYDBLURWEX-MNOVXSKESA-N 1 3 200.326 0.938 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000709039206 712205670 /nfs/dbraw/zinc/20/56/70/712205670.db2.gz ZQHDGWCUTPNDES-NEPJUHHUSA-N 1 3 230.352 0.587 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000709039206 712205672 /nfs/dbraw/zinc/20/56/72/712205672.db2.gz ZQHDGWCUTPNDES-NEPJUHHUSA-N 1 3 230.352 0.587 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715154760 712512956 /nfs/dbraw/zinc/51/29/56/712512956.db2.gz YITMGWOHSGBGFF-CIUDSAMLSA-N 1 3 247.289 0.037 20 0 BCADHO C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715490353 712522766 /nfs/dbraw/zinc/52/27/66/712522766.db2.gz JHFAJDWTFHBEPE-GMTAPVOTSA-N 1 3 200.326 0.830 20 0 BCADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)CCN1 ZINC000715872855 712538106 /nfs/dbraw/zinc/53/81/06/712538106.db2.gz ZGEZTNILOAUZPL-UHFFFAOYSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@H](NCCCC[NH+](C)C)c1cn(C)nn1 ZINC000715877836 712538561 /nfs/dbraw/zinc/53/85/61/712538561.db2.gz PCUUTBWIFFNTTJ-JTQLQIEISA-N 1 3 225.340 0.808 20 0 BCADHO C[C@H](O)CCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717427892 712658304 /nfs/dbraw/zinc/65/83/04/712658304.db2.gz XNRBFTVFQOTAQK-TUAOUCFPSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H](O)CCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717427892 712658306 /nfs/dbraw/zinc/65/83/06/712658306.db2.gz XNRBFTVFQOTAQK-TUAOUCFPSA-N 1 3 212.337 0.926 20 0 BCADHO C[N@H+](C[C@H](O)CNC[C@H]1CCC=CO1)C1CC1 ZINC000380232962 712835239 /nfs/dbraw/zinc/83/52/39/712835239.db2.gz RUTTXZVAYXWDTJ-CHWSQXEVSA-N 1 3 240.347 0.724 20 0 BCADHO C[N@@H+](C[C@H](O)CNC[C@H]1CCC=CO1)C1CC1 ZINC000380232962 712835241 /nfs/dbraw/zinc/83/52/41/712835241.db2.gz RUTTXZVAYXWDTJ-CHWSQXEVSA-N 1 3 240.347 0.724 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720904072 712875582 /nfs/dbraw/zinc/87/55/82/712875582.db2.gz WGWKBLQNRYCSSF-GMTAPVOTSA-N 1 3 225.336 0.419 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720897511 712876936 /nfs/dbraw/zinc/87/69/36/712876936.db2.gz HTKCPCDZEOIPMH-DCAQKATOSA-N 1 3 225.336 0.289 20 0 BCADHO C[C@@H]1CN(Cc2cc[nH]n2)C[C@H]1CC[NH3+] ZINC000723891105 710733480 /nfs/dbraw/zinc/73/34/80/710733480.db2.gz KTOBIONTXINRCY-NXEZZACHSA-N 1 3 208.309 0.826 20 0 BCADHO C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CC[NH3+] ZINC000723912617 710733931 /nfs/dbraw/zinc/73/39/31/710733931.db2.gz RAYVISHHUFJXMR-NXEZZACHSA-N 1 3 223.324 0.232 20 0 BCADHO C[C@@]1(C(N)=O)CCN(CCC[NH2+]C2CC2)C1 ZINC000382502890 710971541 /nfs/dbraw/zinc/97/15/41/710971541.db2.gz RXWAIBXQFDPTFH-GFCCVEGCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](CCCNC2CC2)C1 ZINC000382502890 710971545 /nfs/dbraw/zinc/97/15/45/710971545.db2.gz RXWAIBXQFDPTFH-GFCCVEGCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](CCCNC2CC2)C1 ZINC000382502890 710971547 /nfs/dbraw/zinc/97/15/47/710971547.db2.gz RXWAIBXQFDPTFH-GFCCVEGCSA-N 1 3 225.336 0.326 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000389638140 711084194 /nfs/dbraw/zinc/08/41/94/711084194.db2.gz KCDUZFHDMPSXEV-PWSUYJOCSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC2CC2)C1 ZINC000389664470 711085731 /nfs/dbraw/zinc/08/57/31/711085731.db2.gz STKMIYKSQJWWQN-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC2CC2)C1 ZINC000389664470 711085733 /nfs/dbraw/zinc/08/57/33/711085733.db2.gz STKMIYKSQJWWQN-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO NCC(C[NH3+])NCc1cccnc1Cl ZINC000389930708 711098571 /nfs/dbraw/zinc/09/85/71/711098571.db2.gz KXTUCKRJPFSYQF-UHFFFAOYSA-N 1 3 214.700 0.111 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1ccccc1F ZINC000393771484 711173556 /nfs/dbraw/zinc/17/35/56/711173556.db2.gz HLUVMXBWEHYBFS-MRVPVSSYSA-N 1 3 211.284 0.762 20 0 BCADHO C[C@H](CCCO)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396570608 711354836 /nfs/dbraw/zinc/35/48/36/711354836.db2.gz LCUZFPABGBVVPJ-OUAUKWLOSA-N 1 3 200.326 0.878 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCN1C ZINC000396604262 711360094 /nfs/dbraw/zinc/36/00/94/711360094.db2.gz OIMJNYSNROIZNQ-SDDRHHMPSA-N 1 3 211.353 0.811 20 0 BCADHO CN1CCC(O)(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000397595714 711387584 /nfs/dbraw/zinc/38/75/84/711387584.db2.gz LMRIXGUGQWCXDC-LBPRGKRZSA-N 1 3 240.347 0.725 20 0 BCADHO CO[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397661650 711388131 /nfs/dbraw/zinc/38/81/31/711388131.db2.gz DESIQRQHTPWRAH-NEPJUHHUSA-N 1 3 242.363 0.600 20 0 BCADHO CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001045219174 710836672 /nfs/dbraw/zinc/83/66/72/710836672.db2.gz IEUMYLIELXBRKE-NSHDSACASA-N 1 3 236.319 0.553 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCN(C2CC2)C1 ZINC000396707765 711366588 /nfs/dbraw/zinc/36/65/88/711366588.db2.gz NWOCVKZXVDQBRR-GMXVVIOVSA-N 1 3 223.364 0.953 20 0 BCADHO CN1CCC(O)(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000397595713 711387552 /nfs/dbraw/zinc/38/75/52/711387552.db2.gz LMRIXGUGQWCXDC-GFCCVEGCSA-N 1 3 240.347 0.725 20 0 BCADHO C[C@H]1COCCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000382657883 711547012 /nfs/dbraw/zinc/54/70/12/711547012.db2.gz IAENEJKJQDNXSZ-QWHCGFSZSA-N 1 3 242.363 0.554 20 0 BCADHO C[C@H]1COCCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000382657883 711547015 /nfs/dbraw/zinc/54/70/15/711547015.db2.gz IAENEJKJQDNXSZ-QWHCGFSZSA-N 1 3 242.363 0.554 20 0 BCADHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724560878 711590831 /nfs/dbraw/zinc/59/08/31/711590831.db2.gz XMQJQPDCHARBPF-NJMOYASZSA-N 1 3 240.347 0.317 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000724874440 711622690 /nfs/dbraw/zinc/62/26/90/711622690.db2.gz VSXFRCHPFKVQAP-DDHJBXDOSA-N 1 3 228.336 0.650 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCN1C ZINC000396604264 711702750 /nfs/dbraw/zinc/70/27/50/711702750.db2.gz OIMJNYSNROIZNQ-TUAOUCFPSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCCCN1 ZINC000925875600 711761555 /nfs/dbraw/zinc/76/15/55/711761555.db2.gz VDAWFQCAPFRWDJ-XQQFMLRXSA-N 1 3 242.363 0.912 20 0 BCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000160065100 711805660 /nfs/dbraw/zinc/80/56/60/711805660.db2.gz OKSQREZFAICOET-NSHDSACASA-N 1 3 225.336 0.183 20 0 BCADHO COC[C@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227735941 711832691 /nfs/dbraw/zinc/83/26/91/711832691.db2.gz ZGFRSMCEMZGGEI-GHMZBOCLSA-N 1 3 218.341 0.299 20 0 BCADHO OCC[C@H]1COCCN1CC1CC[NH2+]CC1 ZINC000702243862 712041468 /nfs/dbraw/zinc/04/14/68/712041468.db2.gz XVUVTZMTFHSSPM-LBPRGKRZSA-N 1 3 228.336 0.069 20 0 BCADHO CC[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702268206 712044165 /nfs/dbraw/zinc/04/41/65/712044165.db2.gz SPSBFOKJBWYUCW-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO CC[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702268206 712044167 /nfs/dbraw/zinc/04/41/67/712044167.db2.gz SPSBFOKJBWYUCW-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO C[N@@H+]1C[C@@H]2CN(c3ccnc(CO)c3)C[C@]2(C)C1 ZINC000702287591 712045367 /nfs/dbraw/zinc/04/53/67/712045367.db2.gz MWPGXKVMNBXFGF-RISCZKNCSA-N 1 3 247.342 0.962 20 0 BCADHO C[N@H+]1C[C@@H]2CN(c3ccnc(CO)c3)C[C@]2(C)C1 ZINC000702287591 712045368 /nfs/dbraw/zinc/04/53/68/712045368.db2.gz MWPGXKVMNBXFGF-RISCZKNCSA-N 1 3 247.342 0.962 20 0 BCADHO [NH3+][C@@H]1C[C@@H](NCCOCCF)C12CCC2 ZINC000702654675 712058756 /nfs/dbraw/zinc/05/87/56/712058756.db2.gz QBXAQOBNAYBNSL-NXEZZACHSA-N 1 3 216.300 0.832 20 0 BCADHO NCC(C[NH3+])NCc1ncccc1Cl ZINC000704288851 712103150 /nfs/dbraw/zinc/10/31/50/712103150.db2.gz CWIYPEQLMKDBDO-UHFFFAOYSA-N 1 3 214.700 0.111 20 0 BCADHO CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001035052426 712111554 /nfs/dbraw/zinc/11/15/54/712111554.db2.gz NVSIYUTWJQPKHC-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035126241 712114121 /nfs/dbraw/zinc/11/41/21/712114121.db2.gz WAVVBSWIXJGMGI-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO NCC(C[NH3+])NCCc1c(F)cccc1Cl ZINC000710057196 712243555 /nfs/dbraw/zinc/24/35/55/712243555.db2.gz PHPGWJFPDMWDRH-UHFFFAOYSA-N 1 3 245.729 0.897 20 0 BCADHO NCC(CN)[NH2+]CCc1c(F)cccc1Cl ZINC000710057196 712243556 /nfs/dbraw/zinc/24/35/56/712243556.db2.gz PHPGWJFPDMWDRH-UHFFFAOYSA-N 1 3 245.729 0.897 20 0 BCADHO C[C@@H](N(C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874989 712282164 /nfs/dbraw/zinc/28/21/64/712282164.db2.gz QFVUUGYHWIZUQM-VXGBXAGGSA-N 1 3 244.379 0.534 20 0 BCADHO C(C[N@@H+]1[C@@H]2CC[C@H]1CNCC2)OC1CC1 ZINC000711777375 712328499 /nfs/dbraw/zinc/32/84/99/712328499.db2.gz SMBXZJJCICNZAA-MNOVXSKESA-N 1 3 210.321 0.992 20 0 BCADHO C(C[N@H+]1[C@@H]2CC[C@H]1CNCC2)OC1CC1 ZINC000711777375 712328502 /nfs/dbraw/zinc/32/85/02/712328502.db2.gz SMBXZJJCICNZAA-MNOVXSKESA-N 1 3 210.321 0.992 20 0 BCADHO NC(=O)[C@H](c1ccccc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923487806 712334642 /nfs/dbraw/zinc/33/46/42/712334642.db2.gz NVYFLOLFURCTOY-YPMHNXCESA-N 1 3 247.342 0.884 20 0 BCADHO CN(C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000379712536 712392415 /nfs/dbraw/zinc/39/24/15/712392415.db2.gz SKSVYVNTSUJTGU-GFCCVEGCSA-N 1 3 212.337 0.785 20 0 BCADHO COC[C@H](C[N@@H+]1CCNCCC1(C)C)OC ZINC000712586633 712434503 /nfs/dbraw/zinc/43/45/03/712434503.db2.gz BPUIBJRXJQNVGB-NSHDSACASA-N 1 3 230.352 0.722 20 0 BCADHO COC[C@H](C[N@H+]1CCNCCC1(C)C)OC ZINC000712586633 712434504 /nfs/dbraw/zinc/43/45/04/712434504.db2.gz BPUIBJRXJQNVGB-NSHDSACASA-N 1 3 230.352 0.722 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712621232 712438670 /nfs/dbraw/zinc/43/86/70/712438670.db2.gz HCJDJSUGVVPXOY-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CN1CCN(C(=O)[C@@H]2CCC[NH2+]2)CCC1(C)C ZINC000712668250 712439874 /nfs/dbraw/zinc/43/98/74/712439874.db2.gz HTXNKTBAWQUHBW-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713227365 712455714 /nfs/dbraw/zinc/45/57/14/712455714.db2.gz WHERROYHSMIWCR-BLFANLJRSA-N 1 3 237.347 0.324 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000714244325 712479998 /nfs/dbraw/zinc/47/99/98/712479998.db2.gz HONQEYXNQFYDHP-LMLFDSFASA-N 1 3 246.376 0.422 20 0 BCADHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(=O)N(C)C ZINC000036794206 712496510 /nfs/dbraw/zinc/49/65/10/712496510.db2.gz GGCPRNHWHZKKPG-WAAKLRNESA-N 1 3 239.363 0.678 20 0 BCADHO C[C@@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715490354 712523093 /nfs/dbraw/zinc/52/30/93/712523093.db2.gz JHFAJDWTFHBEPE-MXWKQRLJSA-N 1 3 200.326 0.830 20 0 BCADHO C1C[C@H]([NH2+]C2CCC3(CC2)OCCO3)CN1 ZINC000715731316 712531284 /nfs/dbraw/zinc/53/12/84/712531284.db2.gz KMNBMNCKLBDFRD-NSHDSACASA-N 1 3 226.320 0.624 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000876795672 712629671 /nfs/dbraw/zinc/62/96/71/712629671.db2.gz HLVUTAJJSNMPHM-LMLFDSFASA-N 1 3 243.326 0.143 20 0 BCADHO CCC[N@H+](C[C@H](C)O)C1CCNCC1 ZINC000037688246 712738969 /nfs/dbraw/zinc/73/89/69/712738969.db2.gz QXOPBOFXLRRCOU-JTQLQIEISA-N 1 3 200.326 0.831 20 0 BCADHO CCC[N@@H+](C[C@H](C)O)C1CCNCC1 ZINC000037688246 712738972 /nfs/dbraw/zinc/73/89/72/712738972.db2.gz QXOPBOFXLRRCOU-JTQLQIEISA-N 1 3 200.326 0.831 20 0 BCADHO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc(N)n1 ZINC000719364737 712805883 /nfs/dbraw/zinc/80/58/83/712805883.db2.gz GSOXXUXUIXEJAH-BDAKNGLRSA-N 1 3 221.308 0.872 20 0 BCADHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc(N)n1 ZINC000719364737 712805885 /nfs/dbraw/zinc/80/58/85/712805885.db2.gz GSOXXUXUIXEJAH-BDAKNGLRSA-N 1 3 221.308 0.872 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720888198 712874593 /nfs/dbraw/zinc/87/45/93/712874593.db2.gz MHRJRNGKPGXDPE-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720896764 712876765 /nfs/dbraw/zinc/87/67/65/712876765.db2.gz DNYZAMFRMPHSFK-GRYCIOLGSA-N 1 3 239.363 0.680 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CNCCO1 ZINC000720904158 712877062 /nfs/dbraw/zinc/87/70/62/712877062.db2.gz YZZQTVNSDLHGOC-RWMBFGLXSA-N 1 3 239.363 0.143 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CNCCO1 ZINC000720904158 712877064 /nfs/dbraw/zinc/87/70/64/712877064.db2.gz YZZQTVNSDLHGOC-RWMBFGLXSA-N 1 3 239.363 0.143 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720904917 712877126 /nfs/dbraw/zinc/87/71/26/712877126.db2.gz XSTFVFIQPBRWPL-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH2+]CCNC(=O)N1CCCN(CC)CC1 ZINC000418332073 192025552 /nfs/dbraw/zinc/02/55/52/192025552.db2.gz YKPQDXOWTGUYTR-UHFFFAOYSA-N 1 3 242.367 0.333 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NCCN1CCCC1 ZINC000054129068 168321209 /nfs/dbraw/zinc/32/12/09/168321209.db2.gz OCTGXAOWHJRDHU-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(C)CC1 ZINC000044762597 168321553 /nfs/dbraw/zinc/32/15/53/168321553.db2.gz BIVATOIIWMQZPS-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(C)C1CC1 ZINC000649319614 398142820 /nfs/dbraw/zinc/14/28/20/398142820.db2.gz JZJDQIZCGLJUJY-SPFNVWMYSA-N 1 3 237.347 0.336 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000649322814 398144646 /nfs/dbraw/zinc/14/46/46/398144646.db2.gz NXJHRDLCKMTRTP-TUAOUCFPSA-N 1 3 237.347 0.324 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062902389 349496102 /nfs/dbraw/zinc/49/61/02/349496102.db2.gz UHBNREILEZWOTA-YPMHNXCESA-N 1 3 239.363 0.444 20 0 BCADHO O=C(CNC1CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973209 349503005 /nfs/dbraw/zinc/50/30/05/349503005.db2.gz KDOZPDXZIHJENL-GFCCVEGCSA-N 1 3 237.347 0.435 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCN1C ZINC000649333368 398149754 /nfs/dbraw/zinc/14/97/54/398149754.db2.gz PHKGJGFXJPZLFN-KQSJRHEJSA-N 1 3 237.347 0.336 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCC(=O)N(C)C ZINC000422941654 398159874 /nfs/dbraw/zinc/15/98/74/398159874.db2.gz VGONUYSHYKTRDK-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649374999 398187052 /nfs/dbraw/zinc/18/70/52/398187052.db2.gz DGZCAARHLZSFOH-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](N)CC(F)F)C1 ZINC000576230841 365531558 /nfs/dbraw/zinc/53/15/58/365531558.db2.gz PUYBNMRNVPZTRZ-RKDXNWHRSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](N)CC(F)F)C1 ZINC000576230841 365531560 /nfs/dbraw/zinc/53/15/60/365531560.db2.gz PUYBNMRNVPZTRZ-RKDXNWHRSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000390669964 398201029 /nfs/dbraw/zinc/20/10/29/398201029.db2.gz SOUCXRMSIYXURL-MWLCHTKSSA-N 1 3 225.336 0.134 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446391555 398204363 /nfs/dbraw/zinc/20/43/63/398204363.db2.gz AGLLMHYGVAPDAD-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C(=O)CCC[NH3+])[C@H]1CN2CCC1CC2 ZINC000380677303 398205559 /nfs/dbraw/zinc/20/55/59/398205559.db2.gz DVNXRKWBEGGGRE-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000446404485 398206161 /nfs/dbraw/zinc/20/61/61/398206161.db2.gz DXLBAGXHOGIBNY-GRYCIOLGSA-N 1 3 241.379 0.959 20 0 BCADHO C[NH2+]CCCN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000649412586 398215138 /nfs/dbraw/zinc/21/51/38/398215138.db2.gz ULFQOPHZTYOVDO-QWHCGFSZSA-N 1 3 241.379 0.127 20 0 BCADHO CN(C[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000649412603 398215209 /nfs/dbraw/zinc/21/52/09/398215209.db2.gz WWIDQCBKOCXMSE-WCQYABFASA-N 1 3 223.364 0.764 20 0 BCADHO CC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H](C)O ZINC000386680843 398216414 /nfs/dbraw/zinc/21/64/14/398216414.db2.gz IFBUMRZMDJKMBW-SRVKXCTJSA-N 1 3 230.352 0.192 20 0 BCADHO [NH3+]C[C@H](NC(=O)CNC1CC1)C1CCCC1 ZINC000561194398 322996908 /nfs/dbraw/zinc/99/69/08/322996908.db2.gz IKJNKFXCSNFQMW-NSHDSACASA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]([NH3+])CN1CCN(c2ccncc2)CC1 ZINC000649414664 398218513 /nfs/dbraw/zinc/21/85/13/398218513.db2.gz QAKRPFOOGXHTDP-NSHDSACASA-N 1 3 220.320 0.551 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CCN1C ZINC000576361080 365577970 /nfs/dbraw/zinc/57/79/70/365577970.db2.gz MMLJVUSBFHDLNO-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@](C[NH3+])(NCCN1CCOCC1)C1CC1 ZINC000430558303 398227745 /nfs/dbraw/zinc/22/77/45/398227745.db2.gz PVDBSOFPFCOXOW-GFCCVEGCSA-N 1 3 227.352 0.036 20 0 BCADHO N[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389019 192031867 /nfs/dbraw/zinc/03/18/67/192031867.db2.gz SXDPJBUYOAXKGE-NWDGAFQWSA-N 1 3 248.330 0.348 20 0 BCADHO Cn1cc(CCN[C@](C)(C[NH3+])C2CC2)cn1 ZINC000430568129 398229198 /nfs/dbraw/zinc/22/91/98/398229198.db2.gz FLHOULOHHKFCEW-GFCCVEGCSA-N 1 3 222.336 0.680 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430759005 398230789 /nfs/dbraw/zinc/23/07/89/398230789.db2.gz FAWGICLFOIDAFB-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430759005 398230792 /nfs/dbraw/zinc/23/07/92/398230792.db2.gz FAWGICLFOIDAFB-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430758998 398231161 /nfs/dbraw/zinc/23/11/61/398231161.db2.gz FAWGICLFOIDAFB-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000430758998 398231163 /nfs/dbraw/zinc/23/11/63/398231163.db2.gz FAWGICLFOIDAFB-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO CN(CC(=O)NC1CC[NH+](C)CC1)C1CCC1 ZINC000629943937 361789595 /nfs/dbraw/zinc/78/95/95/361789595.db2.gz DMVHEYRDRFEKKR-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000629946909 361794153 /nfs/dbraw/zinc/79/41/53/361794153.db2.gz DPVQFBNSXCMLHO-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)N1CCCNCC1 ZINC000418443929 192036559 /nfs/dbraw/zinc/03/65/59/192036559.db2.gz LPCXSDPXTHQCFG-LLVKDONJSA-N 1 3 242.367 0.509 20 0 BCADHO CCC(CC)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000308932928 168362104 /nfs/dbraw/zinc/36/21/04/168362104.db2.gz MWRHCDZMOGWOPD-QWRGUYRKSA-N 1 3 200.326 0.593 20 0 BCADHO CCC(CC)C[NH2+]C[C@H]1CNC[C@@H]1O ZINC000308932928 168362107 /nfs/dbraw/zinc/36/21/07/168362107.db2.gz MWRHCDZMOGWOPD-QWRGUYRKSA-N 1 3 200.326 0.593 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCC2)CC[C@H]1[NH3+] ZINC000576517015 365614725 /nfs/dbraw/zinc/61/47/25/365614725.db2.gz RSSQNYMRIHLHCJ-RKDXNWHRSA-N 1 3 211.309 0.064 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)N(C)CCN(C)C ZINC000418425881 192037341 /nfs/dbraw/zinc/03/73/41/192037341.db2.gz KPKCHZKJOLNIHX-UHFFFAOYSA-N 1 3 244.383 0.707 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000134102858 398240786 /nfs/dbraw/zinc/24/07/86/398240786.db2.gz QYEVCICQNHDDPN-UWVGGRQHSA-N 1 3 239.363 0.713 20 0 BCADHO [NH3+]CCOCCN1CC[C@H](c2cccnc2)C1 ZINC000576584224 365630061 /nfs/dbraw/zinc/63/00/61/365630061.db2.gz BLXHHCUEEQBILB-ZDUSSCGKSA-N 1 3 235.331 0.846 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)NCCN(C)C1CC1 ZINC000417630152 398245615 /nfs/dbraw/zinc/24/56/15/398245615.db2.gz TUWJWXGNYACUDI-JTQLQIEISA-N 1 3 242.367 0.235 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195253716 136229387 /nfs/dbraw/zinc/22/93/87/136229387.db2.gz IREGBRLDBKFTQG-PHIMTYICSA-N 1 3 225.336 0.004 20 0 BCADHO CCC[C@](C)(N)C(=O)NC1CC[NH2+]CC1 ZINC000381483395 398259358 /nfs/dbraw/zinc/25/93/58/398259358.db2.gz UGPZGYMAGPBIBH-NSHDSACASA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000576701832 365662487 /nfs/dbraw/zinc/66/24/87/365662487.db2.gz FGWRYKKGASPGCW-DTWKUNHWSA-N 1 3 221.304 0.670 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000381462458 398258720 /nfs/dbraw/zinc/25/87/20/398258720.db2.gz LMYAIIPLTZEFNI-BBBLOLIVSA-N 1 3 213.325 0.310 20 0 BCADHO NC1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC1 ZINC000381643571 398268130 /nfs/dbraw/zinc/26/81/30/398268130.db2.gz PWLZRZOJKGEXSA-VIFPVBQESA-N 1 3 211.309 0.111 20 0 BCADHO NC1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC1 ZINC000381643563 398268162 /nfs/dbraw/zinc/26/81/62/398268162.db2.gz PWLZRZOJKGEXSA-SECBINFHSA-N 1 3 211.309 0.111 20 0 BCADHO CN1CC[C@@H]2CN(C(=O)NCC(C)(C)[NH3+])C[C@@H]21 ZINC000335285909 136234222 /nfs/dbraw/zinc/23/42/22/136234222.db2.gz UKNGULVAZBPQEP-ZJUUUORDSA-N 1 3 240.351 0.069 20 0 BCADHO CC[C@@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000378864727 346849039 /nfs/dbraw/zinc/84/90/39/346849039.db2.gz XZVXOQXBZKGSHQ-MRVPVSSYSA-N 1 3 201.314 0.357 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990835 488178448 /nfs/dbraw/zinc/17/84/48/488178448.db2.gz YOZZOPIXQGNBKS-AGIUHOORSA-N 1 3 240.347 0.210 20 0 BCADHO CC(=O)NCCN(C)CCCC1CC[NH2+]CC1 ZINC000400966697 488178449 /nfs/dbraw/zinc/17/84/49/488178449.db2.gz HXCZVXRQOBGJIU-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990835 488178454 /nfs/dbraw/zinc/17/84/54/488178454.db2.gz YOZZOPIXQGNBKS-AGIUHOORSA-N 1 3 240.347 0.210 20 0 BCADHO CCCN1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000035140069 538956234 /nfs/dbraw/zinc/95/62/34/538956234.db2.gz DQALMMLXKUEKCS-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000335388721 136235007 /nfs/dbraw/zinc/23/50/07/136235007.db2.gz KJZGAAWFPDHKSM-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C)CC1)C(=O)N(C)C ZINC000036793948 538961117 /nfs/dbraw/zinc/96/11/17/538961117.db2.gz YRXCSBXMYKCLPC-WDEREUQCSA-N 1 3 241.379 0.783 20 0 BCADHO CCN1CCC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000040503540 344001131 /nfs/dbraw/zinc/00/11/31/344001131.db2.gz AYRGNSTVFUUNST-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@@H](N)C(=O)NCCCC[NH+](CC)CC ZINC000083357037 398278442 /nfs/dbraw/zinc/27/84/42/398278442.db2.gz DORBMQXVGYJRIN-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000165436327 361840007 /nfs/dbraw/zinc/84/00/07/361840007.db2.gz KEDFNDNBRSLJEN-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000167324893 361863443 /nfs/dbraw/zinc/86/34/43/361863443.db2.gz BCJDSSFXBIFODY-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)N ZINC000167324893 361863447 /nfs/dbraw/zinc/86/34/47/361863447.db2.gz BCJDSSFXBIFODY-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037826023 342785656 /nfs/dbraw/zinc/78/56/56/342785656.db2.gz WNMUBDYMJYDTSO-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037826023 342785658 /nfs/dbraw/zinc/78/56/58/342785658.db2.gz WNMUBDYMJYDTSO-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464110 398288611 /nfs/dbraw/zinc/28/86/11/398288611.db2.gz HSZHRBRNAHHVIQ-KOLCDFICSA-N 1 3 225.336 0.243 20 0 BCADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN2CCC1CC2 ZINC000335464332 398288629 /nfs/dbraw/zinc/28/86/29/398288629.db2.gz PQKLULLWKZDSDP-JSGCOSHPSA-N 1 3 249.358 0.293 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464141 398288921 /nfs/dbraw/zinc/28/89/21/398288921.db2.gz IUHOFHBLGIJFMH-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@]1(CN2CCNC[C@](C)(F)C2)CC[NH2+]C1 ZINC000335479508 398291260 /nfs/dbraw/zinc/29/12/60/398291260.db2.gz KPGURGMQCGFUAA-RYUDHWBXSA-N 1 3 229.343 0.619 20 0 BCADHO C[C@@]1(CN2CCNC[C@@](C)(F)C2)CC[NH2+]C1 ZINC000335479510 398291311 /nfs/dbraw/zinc/29/13/11/398291311.db2.gz KPGURGMQCGFUAA-VXGBXAGGSA-N 1 3 229.343 0.619 20 0 BCADHO CC(C)(C)[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379939642 538982158 /nfs/dbraw/zinc/98/21/58/538982158.db2.gz YOSFLACDYHDPMZ-OUAUKWLOSA-N 1 3 212.337 0.545 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N(C)CCN1CCCC1 ZINC000418516065 192046027 /nfs/dbraw/zinc/04/60/27/192046027.db2.gz RJDDCWUWOYMXME-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO CC1(C)CN(C(=O)CC[C@@H]2CCC[NH2+]2)CCN1 ZINC000335627936 136240961 /nfs/dbraw/zinc/24/09/61/136240961.db2.gz WBUBYVZIKOHUHJ-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@@H]1CCC[NH2+]C1 ZINC000087646617 259325298 /nfs/dbraw/zinc/32/52/98/259325298.db2.gz LALQJOHYSQZCDC-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCNC1 ZINC000087646617 259325299 /nfs/dbraw/zinc/32/52/99/259325299.db2.gz LALQJOHYSQZCDC-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)NC(C)(C)CN(C)C ZINC000418526487 192047568 /nfs/dbraw/zinc/04/75/68/192047568.db2.gz NDUVCYWWXHMYHE-SECBINFHSA-N 1 3 230.356 0.363 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418527098 192047639 /nfs/dbraw/zinc/04/76/39/192047639.db2.gz NPBGJOQCVFKQFX-BBBLOLIVSA-N 1 3 228.340 0.116 20 0 BCADHO CN(C)CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418538949 192049338 /nfs/dbraw/zinc/04/93/38/192049338.db2.gz LKGFYRLWWMASTG-GFCCVEGCSA-N 1 3 242.367 0.237 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418536020 192048788 /nfs/dbraw/zinc/04/87/88/192048788.db2.gz BKVVZEJLQDTXQC-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](CNC(=O)C[NH2+]CC1CC1)N(C)C1CC1 ZINC000167339826 136245438 /nfs/dbraw/zinc/24/54/38/136245438.db2.gz ALRLVBSBMRAOPZ-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000167341329 136245824 /nfs/dbraw/zinc/24/58/24/136245824.db2.gz NGCNSHGCDDZUGY-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO CN(C)CCN(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418554505 192050396 /nfs/dbraw/zinc/05/03/96/192050396.db2.gz VIIBPALEEFYSCU-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)C[C@@H]12 ZINC000351474770 136246270 /nfs/dbraw/zinc/24/62/70/136246270.db2.gz GRZDOUNXLITWFK-JHEVNIALSA-N 1 3 249.358 0.419 20 0 BCADHO CC(C)[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000394058189 259328306 /nfs/dbraw/zinc/32/83/06/259328306.db2.gz VLDJYCVHYJGMTE-GRYCIOLGSA-N 1 3 214.353 0.968 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH2+]C ZINC000308979011 529417092 /nfs/dbraw/zinc/41/70/92/529417092.db2.gz HLHFHEWQAKHUHE-HLTSFMKQSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH+](C)CCOCCNC[C@H](O)C(F)(F)F ZINC000234250730 342919208 /nfs/dbraw/zinc/91/92/08/342919208.db2.gz OREMALMYRSSHHZ-QMMMGPOBSA-N 1 3 244.257 0.077 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N(C)CCN(C)C ZINC000418589876 192054401 /nfs/dbraw/zinc/05/44/01/192054401.db2.gz JPMCNFKHCQYVDZ-SNVBAGLBSA-N 1 3 230.356 0.187 20 0 BCADHO Nc1cccc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000564988560 398337026 /nfs/dbraw/zinc/33/70/26/398337026.db2.gz CADUMOMMAVTVBE-UHFFFAOYSA-N 1 3 235.331 0.554 20 0 BCADHO CC[C@H](O)C[NH+]1CCC(N(C)C)CC1 ZINC000037694122 342941295 /nfs/dbraw/zinc/94/12/95/342941295.db2.gz FBQIYDGUTKPCPU-NSHDSACASA-N 1 3 200.326 0.783 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@@H](C)N(C)C ZINC000038089354 398335961 /nfs/dbraw/zinc/33/59/61/398335961.db2.gz RLRUMBUHXDTYDQ-SNVBAGLBSA-N 1 3 215.341 0.441 20 0 BCADHO CC(=O)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000019513749 187206178 /nfs/dbraw/zinc/20/61/78/187206178.db2.gz HEWBWZZWPSCNQA-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO CON1CCC(N(C)C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000566914862 323025527 /nfs/dbraw/zinc/02/55/27/323025527.db2.gz BMSSNXFBXVZHFL-ZDUSSCGKSA-N 1 3 241.379 0.944 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000353186205 187208289 /nfs/dbraw/zinc/20/82/89/187208289.db2.gz QJVWSSFZILVPQR-USWWRNFRSA-N 1 3 239.363 0.569 20 0 BCADHO CCN(CC)CC(=O)NCCC[NH2+]C(C)C ZINC000151742134 323025751 /nfs/dbraw/zinc/02/57/51/323025751.db2.gz VVHNTHYCVMTLIS-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO Fc1ccc(CNCCN2CC[NH2+]CC2)cc1 ZINC000040537888 342968817 /nfs/dbraw/zinc/96/88/17/342968817.db2.gz ZSBAQSDEVUNHEK-UHFFFAOYSA-N 1 3 237.322 0.821 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322632124 488193534 /nfs/dbraw/zinc/19/35/34/488193534.db2.gz VWXINFSBYUDHLV-FGNRJIRKSA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322632124 488193536 /nfs/dbraw/zinc/19/35/36/488193536.db2.gz VWXINFSBYUDHLV-FGNRJIRKSA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN(C)C ZINC000360134436 187216822 /nfs/dbraw/zinc/21/68/22/187216822.db2.gz GIUUBWWSJPCMIN-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCN(C)C ZINC000360134436 187216824 /nfs/dbraw/zinc/21/68/24/187216824.db2.gz GIUUBWWSJPCMIN-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000308976548 259340872 /nfs/dbraw/zinc/34/08/72/259340872.db2.gz GTUYSUUHKNRYKI-CIUDSAMLSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[NH+](CCNC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000050457087 343022034 /nfs/dbraw/zinc/02/20/34/343022034.db2.gz PIFCQTMOXURJHE-MNOVXSKESA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H](O)[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000576823097 365694096 /nfs/dbraw/zinc/69/40/96/365694096.db2.gz NNVYWJDSEFXOBT-CMPLNLGQSA-N 1 3 228.336 0.068 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089359 343059312 /nfs/dbraw/zinc/05/93/12/343059312.db2.gz JMVMNPFQGAIKFE-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO COC1(CNC[C@](C)(O)C[NH+](C)C)CCCC1 ZINC000319339265 187229849 /nfs/dbraw/zinc/22/98/49/187229849.db2.gz QPBSHGXXEJKKOT-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO CC(C)([NH3+])CN1CCC[C@H]1CCCO ZINC000336655860 187231272 /nfs/dbraw/zinc/23/12/72/187231272.db2.gz ACGBEFVLMULKDP-JTQLQIEISA-N 1 3 200.326 0.961 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH2+]1 ZINC000394283655 259349047 /nfs/dbraw/zinc/34/90/47/259349047.db2.gz INZDDSNPOSBNJH-GRYCIOLGSA-N 1 3 237.347 0.434 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000236648255 343105629 /nfs/dbraw/zinc/10/56/29/343105629.db2.gz CXPGLCHGYVRDFQ-WDEREUQCSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000237042789 343121796 /nfs/dbraw/zinc/12/17/96/343121796.db2.gz XSYMVEFIXRWUAJ-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000049557236 343111533 /nfs/dbraw/zinc/11/15/33/343111533.db2.gz DNIGWLKMECXLKM-RYUDHWBXSA-N 1 3 232.368 0.702 20 0 BCADHO C[C@H](CC[NH+](C)C)NC[C@H](O)Cn1cccn1 ZINC000049556990 343111683 /nfs/dbraw/zinc/11/16/83/343111683.db2.gz IORUFOHZFBJFKW-NEPJUHHUSA-N 1 3 240.351 0.174 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H](C)CC[NH+](C)C ZINC000049557237 343111862 /nfs/dbraw/zinc/11/18/62/343111862.db2.gz DNIGWLKMECXLKM-VXGBXAGGSA-N 1 3 232.368 0.702 20 0 BCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)CNC1CC1 ZINC000236825690 343112695 /nfs/dbraw/zinc/11/26/95/343112695.db2.gz SQBREOLLYZFMQR-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)CNC1CC1 ZINC000236825690 343112696 /nfs/dbraw/zinc/11/26/96/343112696.db2.gz SQBREOLLYZFMQR-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(N)CC1 ZINC000236814435 343113035 /nfs/dbraw/zinc/11/30/35/343113035.db2.gz IOBFSRWWNWIVCY-SECBINFHSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575504 343113194 /nfs/dbraw/zinc/11/31/94/343113194.db2.gz BNUQULQLIXKXCG-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000236952070 343116066 /nfs/dbraw/zinc/11/60/66/343116066.db2.gz IIAQBNZFNSOVCI-DTWKUNHWSA-N 1 3 201.314 0.086 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000092956417 343150282 /nfs/dbraw/zinc/15/02/82/343150282.db2.gz DRXAURSSEIQYSS-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO O=C(NCC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000120454282 343124000 /nfs/dbraw/zinc/12/40/00/343124000.db2.gz ZPLKTIPALRPIHG-LLVKDONJSA-N 1 3 225.336 0.244 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778927 343125754 /nfs/dbraw/zinc/12/57/54/343125754.db2.gz IMKVQKUGBBHIJA-ZYHUDNBSSA-N 1 3 243.326 0.289 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000237314175 343134363 /nfs/dbraw/zinc/13/43/63/343134363.db2.gz UKRLCJUZGORLMH-NSHDSACASA-N 1 3 227.352 0.428 20 0 BCADHO C[NH2+]CCCN(C)C(=O)c1ccc2c(c1)CNC2 ZINC000131199748 343183028 /nfs/dbraw/zinc/18/30/28/343183028.db2.gz QGXXVDUOQITDRH-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO C[C@@H](NC(=O)N1CCC[C@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000418693870 192061152 /nfs/dbraw/zinc/06/11/52/192061152.db2.gz HLSUUKZIHPZAMC-AXFHLTTASA-N 1 3 242.367 0.458 20 0 BCADHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(N)CCC1 ZINC000147581236 136273481 /nfs/dbraw/zinc/27/34/81/136273481.db2.gz ACKGJSOVDBKGPD-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)CCN1C ZINC000157890697 343200404 /nfs/dbraw/zinc/20/04/04/343200404.db2.gz ZZSZCJGJSKXNMZ-WZRBSPASSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CNC2CC2)CC[N@@H+]1C ZINC000157885730 343200450 /nfs/dbraw/zinc/20/04/50/343200450.db2.gz JVQOTCXKYGWXKD-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CNC2CC2)CC[N@H+]1C ZINC000157885730 343200451 /nfs/dbraw/zinc/20/04/51/343200451.db2.gz JVQOTCXKYGWXKD-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000161081436 343203870 /nfs/dbraw/zinc/20/38/70/343203870.db2.gz IEZDGSFOMDCTSF-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCCCC[NH3+])C1 ZINC000167421824 343209086 /nfs/dbraw/zinc/20/90/86/343209086.db2.gz NDFMWJWMXJNNJK-VHSXEESVSA-N 1 3 213.325 0.230 20 0 BCADHO CC(C)(C)N1CCC([NH2+]CCC(N)=O)CC1 ZINC000134968915 343192252 /nfs/dbraw/zinc/19/22/52/343192252.db2.gz OJXWEPSQOMNIRQ-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091220 136284466 /nfs/dbraw/zinc/28/44/66/136284466.db2.gz ZCHJCGYUQQDBTN-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091220 136284467 /nfs/dbraw/zinc/28/44/67/136284467.db2.gz ZCHJCGYUQQDBTN-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000082777044 136277226 /nfs/dbraw/zinc/27/72/26/136277226.db2.gz HWSJBFKWBYQSAF-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO Cn1nccc1CCN[C@@H](C[NH3+])C(C)(C)C ZINC000634687998 343245251 /nfs/dbraw/zinc/24/52/51/343245251.db2.gz FDCVPKBGOYSOII-NSHDSACASA-N 1 3 224.352 0.926 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688112 343247604 /nfs/dbraw/zinc/24/76/04/343247604.db2.gz IMENBQSFIUQHSQ-TUAOUCFPSA-N 1 3 238.331 0.086 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688112 343247605 /nfs/dbraw/zinc/24/76/05/343247605.db2.gz IMENBQSFIUQHSQ-TUAOUCFPSA-N 1 3 238.331 0.086 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304747 343369043 /nfs/dbraw/zinc/36/90/43/343369043.db2.gz XDPZZXUDFSVZAH-LBPRGKRZSA-N 1 3 211.353 0.622 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304747 343369044 /nfs/dbraw/zinc/36/90/44/343369044.db2.gz XDPZZXUDFSVZAH-LBPRGKRZSA-N 1 3 211.353 0.622 20 0 BCADHO C[NH2+]CCNC(=O)c1ccc(CN(C)C)cc1 ZINC000569843733 323042623 /nfs/dbraw/zinc/04/26/23/323042623.db2.gz OUOIIFYLYZPTOF-UHFFFAOYSA-N 1 3 235.331 0.697 20 0 BCADHO C[C@@H](CNC(=O)CC1([NH3+])CC1)N(C)C1CC1 ZINC000398164726 488213305 /nfs/dbraw/zinc/21/33/05/488213305.db2.gz LYGZOWLPTLUIDD-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CC1([NH3+])CC1 ZINC000398132404 488212101 /nfs/dbraw/zinc/21/21/01/488212101.db2.gz WHICRPMMTAGSTH-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000335652871 136305530 /nfs/dbraw/zinc/30/55/30/136305530.db2.gz CRNBNNALPCCGCM-BDAKNGLRSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCn2cccn2)C1 ZINC000166221172 136310526 /nfs/dbraw/zinc/31/05/26/136310526.db2.gz BZAVZJXTDFQYTK-QWRGUYRKSA-N 1 3 208.309 0.552 20 0 BCADHO NC1(C(=O)NC2[C@@H]3CC[C@H]2CC([NH3+])C3)CC1 ZINC000335663219 136315933 /nfs/dbraw/zinc/31/59/33/136315933.db2.gz UHZYXHZCECUPTR-BQKDNTBBSA-N 1 3 223.320 0.110 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@@H](N)CC)CC1 ZINC000131983551 343392518 /nfs/dbraw/zinc/39/25/18/343392518.db2.gz AKOVSFKPZXAFPP-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000335694157 136326041 /nfs/dbraw/zinc/32/60/41/136326041.db2.gz PZXAKYSWCKPVPF-MNOVXSKESA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158411600 343407299 /nfs/dbraw/zinc/40/72/99/343407299.db2.gz XGCGMFLQBMKCAB-LPEHRKFASA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809135 343409284 /nfs/dbraw/zinc/40/92/84/343409284.db2.gz OMRQEMQQXCMUSB-PWSUYJOCSA-N 1 3 235.331 0.753 20 0 BCADHO C[NH2+]C[C@H]1CCN([C@H](C)CCOC)C1 ZINC000082419865 343440650 /nfs/dbraw/zinc/44/06/50/343440650.db2.gz VRLADSUTZSUZFZ-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000082419865 343440652 /nfs/dbraw/zinc/44/06/52/343440652.db2.gz VRLADSUTZSUZFZ-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000082419865 343440654 /nfs/dbraw/zinc/44/06/54/343440654.db2.gz VRLADSUTZSUZFZ-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@@H]1C)[C@H](C)[NH3+] ZINC000418703399 192062897 /nfs/dbraw/zinc/06/28/97/192062897.db2.gz QNLFVXZBWFXMAU-XFWSIPNHSA-N 1 3 228.340 0.114 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](C)N ZINC000166638937 136362282 /nfs/dbraw/zinc/36/22/82/136362282.db2.gz IMSATVQOGWFACK-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](C)N ZINC000166638937 136362283 /nfs/dbraw/zinc/36/22/83/136362283.db2.gz IMSATVQOGWFACK-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000262671774 136374647 /nfs/dbraw/zinc/37/46/47/136374647.db2.gz OVEVWMPZLNNPSB-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000262671774 136374648 /nfs/dbraw/zinc/37/46/48/136374648.db2.gz OVEVWMPZLNNPSB-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO [NH3+]CCN1CCNC[C@H]1c1ccc(F)cc1 ZINC000616635999 343528381 /nfs/dbraw/zinc/52/83/81/343528381.db2.gz PDQAEHGZLXTCND-LBPRGKRZSA-N 1 3 223.295 0.731 20 0 BCADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000618193846 343603356 /nfs/dbraw/zinc/60/33/56/343603356.db2.gz GPNXUJYHSTXJHD-NSHDSACASA-N 1 3 225.336 0.101 20 0 BCADHO CN(CC1CN(C)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000618193846 343603357 /nfs/dbraw/zinc/60/33/57/343603357.db2.gz GPNXUJYHSTXJHD-NSHDSACASA-N 1 3 225.336 0.101 20 0 BCADHO COC[C@H](NCCC[NH+](C)C)C1CC1 ZINC000087477408 343649881 /nfs/dbraw/zinc/64/98/81/343649881.db2.gz ZNUHHYOFNLVUML-NSHDSACASA-N 1 3 200.326 0.953 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)CNC1CC1 ZINC000153930888 343706731 /nfs/dbraw/zinc/70/67/31/343706731.db2.gz BEDZFSNLJMMNPH-JTQLQIEISA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCN1C ZINC000624335556 343717707 /nfs/dbraw/zinc/71/77/07/343717707.db2.gz VDJHLJIOBJBOQB-XQQFMLRXSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@H](NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335556 343717708 /nfs/dbraw/zinc/71/77/08/343717708.db2.gz VDJHLJIOBJBOQB-XQQFMLRXSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@H](NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335556 343717710 /nfs/dbraw/zinc/71/77/10/343717710.db2.gz VDJHLJIOBJBOQB-XQQFMLRXSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1C ZINC000154669946 343746106 /nfs/dbraw/zinc/74/61/06/343746106.db2.gz GWYJYIILNQPAMY-JQWIXIFHSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@H+]1C ZINC000154669946 343746109 /nfs/dbraw/zinc/74/61/09/343746109.db2.gz GWYJYIILNQPAMY-JQWIXIFHSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526601 187354633 /nfs/dbraw/zinc/35/46/33/187354633.db2.gz RWRGMKSWJLFNBE-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123829221 187356154 /nfs/dbraw/zinc/35/61/54/187356154.db2.gz HZIGRUMUGIONRQ-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@](C)(N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232956 362285117 /nfs/dbraw/zinc/28/51/17/362285117.db2.gz MNKNGXOSONYUOR-LBPRGKRZSA-N 1 3 237.351 0.862 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000129072857 343961832 /nfs/dbraw/zinc/96/18/32/343961832.db2.gz KOROXIAVZOAAGT-AEJSXWLSSA-N 1 3 213.325 0.452 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)CC(F)F ZINC000393802397 343963545 /nfs/dbraw/zinc/96/35/45/343963545.db2.gz UDCSGGCNCGQFEU-BQBZGAKWSA-N 1 3 223.267 0.068 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)CC(F)F ZINC000393802400 343963570 /nfs/dbraw/zinc/96/35/70/343963570.db2.gz UDCSGGCNCGQFEU-RNFRBKRXSA-N 1 3 223.267 0.068 20 0 BCADHO CC[C@@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000130429251 344137980 /nfs/dbraw/zinc/13/79/80/344137980.db2.gz ODJCOMZRQABOHY-SECBINFHSA-N 1 3 239.323 0.121 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000130550724 344146932 /nfs/dbraw/zinc/14/69/32/344146932.db2.gz GWWCQXYTMSWICK-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CC)C1 ZINC000130575655 344148996 /nfs/dbraw/zinc/14/89/96/344148996.db2.gz LXDIVPNLXRVOGA-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)CC)C1 ZINC000130575655 344148998 /nfs/dbraw/zinc/14/89/98/344148998.db2.gz LXDIVPNLXRVOGA-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000129072637 344210498 /nfs/dbraw/zinc/21/04/98/344210498.db2.gz KOROXIAVZOAAGT-IVZWLZJFSA-N 1 3 213.325 0.452 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000131773164 344234931 /nfs/dbraw/zinc/23/49/31/344234931.db2.gz VXJJDAYUULWWAZ-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000131772749 344235119 /nfs/dbraw/zinc/23/51/19/344235119.db2.gz VXJJDAYUULWWAZ-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000131772957 344235192 /nfs/dbraw/zinc/23/51/92/344235192.db2.gz VXJJDAYUULWWAZ-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCN[C@@H](C)C1 ZINC000236648210 187289550 /nfs/dbraw/zinc/28/95/50/187289550.db2.gz CQHPHGJFAOPGQF-JTQLQIEISA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCN[C@@H](C)C1 ZINC000236648210 187289553 /nfs/dbraw/zinc/28/95/53/187289553.db2.gz CQHPHGJFAOPGQF-JTQLQIEISA-N 1 3 213.325 0.147 20 0 BCADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000084385202 344191459 /nfs/dbraw/zinc/19/14/59/344191459.db2.gz LQHIHFJWMOWHHR-NSHDSACASA-N 1 3 222.336 0.852 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000084420059 344191744 /nfs/dbraw/zinc/19/17/44/344191744.db2.gz NPKCJGFGKCXMSA-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752454 344204030 /nfs/dbraw/zinc/20/40/30/344204030.db2.gz LZJZIXHUZJUCHB-WDEREUQCSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000580324173 347039195 /nfs/dbraw/zinc/03/91/95/347039195.db2.gz FQTUHDUKTCDTCI-SECBINFHSA-N 1 3 233.315 0.757 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768802 344280697 /nfs/dbraw/zinc/28/06/97/344280697.db2.gz ZOKKOHCFBBTXOZ-XLDPMVHQSA-N 1 3 247.289 0.227 20 0 BCADHO COC(=O)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000212487531 344242509 /nfs/dbraw/zinc/24/25/09/344242509.db2.gz AFEYKIUVTQVQTI-UHFFFAOYSA-N 1 3 241.335 0.370 20 0 BCADHO COC(=O)CCCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000600712352 344361632 /nfs/dbraw/zinc/36/16/32/344361632.db2.gz XFQAKVJPZHCPOU-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000577396945 344526476 /nfs/dbraw/zinc/52/64/76/344526476.db2.gz UQUXWQPPLJNSCA-XHNCKOQMSA-N 1 3 249.305 0.603 20 0 BCADHO [NH3+]C1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000382004750 347054285 /nfs/dbraw/zinc/05/42/85/347054285.db2.gz KQWWNQDAPZDNLY-PWSUYJOCSA-N 1 3 212.337 0.961 20 0 BCADHO O=C(C[NH2+]CC1CC1)N1CCN2CCC[C@@H]2C1 ZINC000037812665 344591720 /nfs/dbraw/zinc/59/17/20/344591720.db2.gz SAPWXHXLXSFANE-GFCCVEGCSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824249 344593480 /nfs/dbraw/zinc/59/34/80/344593480.db2.gz ASJNMTPLFJZPMM-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO CC[NH+](CC)CC1CCN(C(=O)CNC)CC1 ZINC000037826233 344593659 /nfs/dbraw/zinc/59/36/59/344593659.db2.gz WJENEXMBXBLJQD-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO OCC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000168835509 537848663 /nfs/dbraw/zinc/84/86/63/537848663.db2.gz JDWOZFITACMYCV-VXGBXAGGSA-N 1 3 224.348 0.975 20 0 BCADHO OCC1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000168835509 537848668 /nfs/dbraw/zinc/84/86/68/537848668.db2.gz JDWOZFITACMYCV-VXGBXAGGSA-N 1 3 224.348 0.975 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000574204925 344707838 /nfs/dbraw/zinc/70/78/38/344707838.db2.gz KVVDKKZURRYZIL-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000574204923 344708034 /nfs/dbraw/zinc/70/80/34/344708034.db2.gz KVVDKKZURRYZIL-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO O[C@H](CNCC[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000038096755 344779684 /nfs/dbraw/zinc/77/96/84/344779684.db2.gz XBOIQOUNAGSEAQ-CHWSQXEVSA-N 1 3 242.363 0.602 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000390112495 259380524 /nfs/dbraw/zinc/38/05/24/259380524.db2.gz AZHIKPFXUUZFQL-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000390112490 259380233 /nfs/dbraw/zinc/38/02/33/259380233.db2.gz AZHIKPFXUUZFQL-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000574520155 344884334 /nfs/dbraw/zinc/88/43/34/344884334.db2.gz DXEVEOAMMUCWCN-UTLUCORTSA-N 1 3 213.325 0.371 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000582127377 344898092 /nfs/dbraw/zinc/89/80/92/344898092.db2.gz SZSFOLLGMNJICO-TUAOUCFPSA-N 1 3 230.352 0.314 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000582127377 344898094 /nfs/dbraw/zinc/89/80/94/344898094.db2.gz SZSFOLLGMNJICO-TUAOUCFPSA-N 1 3 230.352 0.314 20 0 BCADHO CC(C)N(C)CC(=O)N1CCNC[C@H]1C ZINC000124321583 187295737 /nfs/dbraw/zinc/29/57/37/187295737.db2.gz YNJSSODKUHQUQQ-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCNC[C@H]1C ZINC000124321583 187295740 /nfs/dbraw/zinc/29/57/40/187295740.db2.gz YNJSSODKUHQUQQ-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCNC[C@H]1C ZINC000124321583 187295742 /nfs/dbraw/zinc/29/57/42/187295742.db2.gz YNJSSODKUHQUQQ-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H]([NH3+])C[C@H]1C ZINC000583448480 344997210 /nfs/dbraw/zinc/99/72/10/344997210.db2.gz COGXHOPAOAEPLO-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000319009606 259381814 /nfs/dbraw/zinc/38/18/14/259381814.db2.gz OXNVPPGTRIDUQM-QWRGUYRKSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000154199128 345017866 /nfs/dbraw/zinc/01/78/66/345017866.db2.gz UUGBWNAYHVFEEH-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000154302925 345025946 /nfs/dbraw/zinc/02/59/46/345025946.db2.gz XXNMEYNELWPRSA-VOAKCMCISA-N 1 3 243.395 0.227 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000155657089 345095257 /nfs/dbraw/zinc/09/52/57/345095257.db2.gz OQQQKSNVYKXHSN-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000155695670 345096788 /nfs/dbraw/zinc/09/67/88/345096788.db2.gz PVXFZGHFFQRGIC-NHCYSSNCSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000155695670 345096789 /nfs/dbraw/zinc/09/67/89/345096789.db2.gz PVXFZGHFFQRGIC-NHCYSSNCSA-N 1 3 241.379 0.959 20 0 BCADHO CCC[C@](C)(CO)[NH2+]CC12CC(C1)CN2 ZINC000634993317 345189800 /nfs/dbraw/zinc/18/98/00/345189800.db2.gz QOQLOVVXCGCVDD-MOENNCHZSA-N 1 3 212.337 0.879 20 0 BCADHO CC[C@@](C)(CCO)[NH2+]CC12CC(C1)CN2 ZINC000634993522 345190439 /nfs/dbraw/zinc/19/04/39/345190439.db2.gz XFJKOGXZFZMJTE-CXQJBGSLSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@H]1[C@H](C)N(CC23CC(C2)C[NH2+]3)CCN1C ZINC000634994675 345182324 /nfs/dbraw/zinc/18/23/24/345182324.db2.gz KDKNRBPSYMVLAW-ZSVAQUKISA-N 1 3 223.364 0.763 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634952048 345128221 /nfs/dbraw/zinc/12/82/21/345128221.db2.gz NUYZUDNNGVTQBL-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC1(C[NH+]2CCC(NCCO)CC2)CC1 ZINC000635001337 345197405 /nfs/dbraw/zinc/19/74/05/345197405.db2.gz PFXJPZQZWPEHMQ-UHFFFAOYSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)OCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000635012040 345213763 /nfs/dbraw/zinc/21/37/63/345213763.db2.gz IVOGUSGSEZHESL-QJPTWQEYSA-N 1 3 230.352 0.753 20 0 BCADHO C[C@H](CC(N)=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635008134 345216100 /nfs/dbraw/zinc/21/61/00/345216100.db2.gz ZRPUATZASXFTKO-YPMHNXCESA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635008134 345216104 /nfs/dbraw/zinc/21/61/04/345216104.db2.gz ZRPUATZASXFTKO-YPMHNXCESA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000635255887 345289031 /nfs/dbraw/zinc/28/90/31/345289031.db2.gz YCUHWQDGPVPUAW-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000635255887 345289032 /nfs/dbraw/zinc/28/90/32/345289032.db2.gz YCUHWQDGPVPUAW-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000158528670 345345818 /nfs/dbraw/zinc/34/58/18/345345818.db2.gz QJVHVQVYVNJXBH-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000158528670 345345820 /nfs/dbraw/zinc/34/58/20/345345820.db2.gz QJVHVQVYVNJXBH-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000158693976 345364824 /nfs/dbraw/zinc/36/48/24/345364824.db2.gz KUMQAUPQSMGDDG-UMNHJUIQSA-N 1 3 243.326 0.322 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158782136 345376462 /nfs/dbraw/zinc/37/64/62/345376462.db2.gz STGFHXBRLSMNMI-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(C)CC1 ZINC000635526523 345422152 /nfs/dbraw/zinc/42/21/52/345422152.db2.gz ASDWXZUNASPLRY-VHSXEESVSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)C1CC1 ZINC000563097337 323092231 /nfs/dbraw/zinc/09/22/31/323092231.db2.gz UFIWEAWNFLSTDF-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563100968 323092380 /nfs/dbraw/zinc/09/23/80/323092380.db2.gz LLBKZHHQIXEESH-DTWKUNHWSA-N 1 3 249.305 0.475 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCCN1 ZINC000309295315 187308617 /nfs/dbraw/zinc/30/86/17/187308617.db2.gz RJKYPRONBXYJJT-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378454 187359578 /nfs/dbraw/zinc/35/95/78/187359578.db2.gz BTCBSAWKTGXHGI-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378454 187359581 /nfs/dbraw/zinc/35/95/81/187359581.db2.gz BTCBSAWKTGXHGI-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000220578368 345746637 /nfs/dbraw/zinc/74/66/37/345746637.db2.gz MNJWJNMRKVPVEZ-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO CN(CCC[NH+](C)C)C(=O)C1CCN(C)CC1 ZINC000168517552 345723032 /nfs/dbraw/zinc/72/30/32/345723032.db2.gz QHYVLSZZADHZCX-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000563156592 323096126 /nfs/dbraw/zinc/09/61/26/323096126.db2.gz COHZOHIZHCXMBH-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000380014377 365806006 /nfs/dbraw/zinc/80/60/06/365806006.db2.gz MRPYXFSRPUUUCW-JGVFFNPUSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392882 187360342 /nfs/dbraw/zinc/36/03/42/187360342.db2.gz LPNMIOROEZAXCS-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158919303 345874856 /nfs/dbraw/zinc/87/48/56/345874856.db2.gz FXTIJLIZAXIONC-AAEUAGOBSA-N 1 3 237.347 0.341 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](CO)C(C)(C)C ZINC000393983662 346017970 /nfs/dbraw/zinc/01/79/70/346017970.db2.gz VFMIMIPPFWPKEC-QWRGUYRKSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](CO)C(C)(C)C ZINC000393983662 346017973 /nfs/dbraw/zinc/01/79/73/346017973.db2.gz VFMIMIPPFWPKEC-QWRGUYRKSA-N 1 3 232.368 0.296 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000375426972 537936996 /nfs/dbraw/zinc/93/69/96/537936996.db2.gz JTSUUIRGGNFMHE-UWVGGRQHSA-N 1 3 247.342 0.889 20 0 BCADHO CCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC000636028588 346164675 /nfs/dbraw/zinc/16/46/75/346164675.db2.gz DFPRMPJBWCUMOW-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000429410437 192098022 /nfs/dbraw/zinc/09/80/22/192098022.db2.gz QTSGBTRSFPMBDD-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000429410437 192098023 /nfs/dbraw/zinc/09/80/23/192098023.db2.gz QTSGBTRSFPMBDD-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCOC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000069277609 349944177 /nfs/dbraw/zinc/94/41/77/349944177.db2.gz UKEHDSLNGPQDTH-AAEUAGOBSA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069277609 349944179 /nfs/dbraw/zinc/94/41/79/349944179.db2.gz UKEHDSLNGPQDTH-AAEUAGOBSA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069277609 349944180 /nfs/dbraw/zinc/94/41/80/349944180.db2.gz UKEHDSLNGPQDTH-AAEUAGOBSA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000069277613 349944185 /nfs/dbraw/zinc/94/41/85/349944185.db2.gz UKEHDSLNGPQDTH-YPMHNXCESA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000069277613 349944187 /nfs/dbraw/zinc/94/41/87/349944187.db2.gz UKEHDSLNGPQDTH-YPMHNXCESA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000069277613 349944189 /nfs/dbraw/zinc/94/41/89/349944189.db2.gz UKEHDSLNGPQDTH-YPMHNXCESA-N 1 3 242.363 0.458 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365092621 187318211 /nfs/dbraw/zinc/31/82/11/187318211.db2.gz ILUBIMNCMIIQCO-JOYOIKCWSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000333668329 187366568 /nfs/dbraw/zinc/36/65/68/187366568.db2.gz MRBATDPEVOPWOL-VWYCJHECSA-N 1 3 240.351 0.130 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000563415751 323123483 /nfs/dbraw/zinc/12/34/83/323123483.db2.gz FXGAYOAYVWTRQJ-GXSJLCMTSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CN(CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641795867 362736749 /nfs/dbraw/zinc/73/67/49/362736749.db2.gz APDPFBASMYPSBI-PWSUYJOCSA-N 1 3 222.336 0.632 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000069840101 349962128 /nfs/dbraw/zinc/96/21/28/349962128.db2.gz MHTBSRYMALYLER-LLVKDONJSA-N 1 3 229.368 0.914 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000070074108 349965159 /nfs/dbraw/zinc/96/51/59/349965159.db2.gz KOXDFQVZJCEPSI-LBPRGKRZSA-N 1 3 239.363 0.670 20 0 BCADHO COCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000070081111 349965623 /nfs/dbraw/zinc/96/56/23/349965623.db2.gz XUPIQRWYHYDMAD-UHFFFAOYSA-N 1 3 241.379 0.250 20 0 BCADHO Cn1cncc1CC[NH2+]CC1(N)CCC1 ZINC000641797797 362738925 /nfs/dbraw/zinc/73/89/25/362738925.db2.gz HLPXFOMTSQYXFQ-UHFFFAOYSA-N 1 3 208.309 0.434 20 0 BCADHO Cn1cncc1CCNCC1([NH3+])CCC1 ZINC000641797797 362738930 /nfs/dbraw/zinc/73/89/30/362738930.db2.gz HLPXFOMTSQYXFQ-UHFFFAOYSA-N 1 3 208.309 0.434 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)CCCC[NH3+])C1 ZINC000577103638 365816948 /nfs/dbraw/zinc/81/69/48/365816948.db2.gz TUSAUHLYXDYVTD-GFCCVEGCSA-N 1 3 241.379 0.964 20 0 BCADHO CCN(CC)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000070188209 349966637 /nfs/dbraw/zinc/96/66/37/349966637.db2.gz CZTQOAKFLWOLTA-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(C)C(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000641802291 362758050 /nfs/dbraw/zinc/75/80/50/362758050.db2.gz ITXQZIRXHGXMOK-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000580120613 346542243 /nfs/dbraw/zinc/54/22/43/346542243.db2.gz FNTXGPXQOWDMTC-UPJWGTAASA-N 1 3 242.363 0.146 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000580120613 346542245 /nfs/dbraw/zinc/54/22/45/346542245.db2.gz FNTXGPXQOWDMTC-UPJWGTAASA-N 1 3 242.363 0.146 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000580172429 346596559 /nfs/dbraw/zinc/59/65/59/346596559.db2.gz MZMDOHKUNHOVQI-CYBMUJFWSA-N 1 3 249.358 0.672 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300396192 346613474 /nfs/dbraw/zinc/61/34/74/346613474.db2.gz BANGPYYPQDYHQL-ZRUFSTJUSA-N 1 3 232.393 0.958 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300396419 346613478 /nfs/dbraw/zinc/61/34/78/346613478.db2.gz DPTCFWPEQQAINK-AXFHLTTASA-N 1 3 216.325 0.243 20 0 BCADHO CC[NH2+]CCCNC(=O)CN(CC)CC ZINC000577176072 365859240 /nfs/dbraw/zinc/85/92/40/365859240.db2.gz BEXDLNFLURHKFM-UHFFFAOYSA-N 1 3 215.341 0.444 20 0 BCADHO CC(=O)NCCN(C)CC[C@H]1CCC[NH2+]C1 ZINC000308207082 346747431 /nfs/dbraw/zinc/74/74/31/346747431.db2.gz ZRXHUSRXIJMLNV-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO CC(=O)NCCN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000308207084 346747665 /nfs/dbraw/zinc/74/76/65/346747665.db2.gz ZRXHUSRXIJMLNV-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H](C)[NH2+]CC ZINC000336740585 347109684 /nfs/dbraw/zinc/10/96/84/347109684.db2.gz MLMYIFWUBUDSOD-VHSXEESVSA-N 1 3 215.341 0.618 20 0 BCADHO COC(=O)CC1(C[N@H+]2C[C@@H](CN)[C@H](C)C2)CC1 ZINC000601325495 347207192 /nfs/dbraw/zinc/20/71/92/347207192.db2.gz DGUQGDJSTLXQLH-GHMZBOCLSA-N 1 3 240.347 0.856 20 0 BCADHO COC(=O)CC1(C[N@@H+]2C[C@@H](CN)[C@H](C)C2)CC1 ZINC000601325495 347207197 /nfs/dbraw/zinc/20/71/97/347207197.db2.gz DGUQGDJSTLXQLH-GHMZBOCLSA-N 1 3 240.347 0.856 20 0 BCADHO OCC1(CCNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000395845489 362799393 /nfs/dbraw/zinc/79/93/93/362799393.db2.gz IRJCJECEQPGPPH-LBPRGKRZSA-N 1 3 242.363 0.195 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000250331863 362799416 /nfs/dbraw/zinc/79/94/16/362799416.db2.gz OPKNAKVJRNXKJA-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@H]2CCCNC(=O)C2)C1 ZINC000250331863 362799419 /nfs/dbraw/zinc/79/94/19/362799419.db2.gz OPKNAKVJRNXKJA-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@H]2CCCNC(=O)C2)C1 ZINC000250331863 362799422 /nfs/dbraw/zinc/79/94/22/362799422.db2.gz OPKNAKVJRNXKJA-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC(F)F ZINC000310307304 347261209 /nfs/dbraw/zinc/26/12/09/347261209.db2.gz SAFWZIWLTPRPCN-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC(F)F ZINC000310307304 347261214 /nfs/dbraw/zinc/26/12/14/347261214.db2.gz SAFWZIWLTPRPCN-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCCC[NH2+]2)CCN1 ZINC000335627362 347264295 /nfs/dbraw/zinc/26/42/95/347264295.db2.gz QCPNVAVKKAUPIL-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000082280636 347328661 /nfs/dbraw/zinc/32/86/61/347328661.db2.gz UHYHWTDBSRCGQL-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH+]1CCC(NCCOCCO)CC1 ZINC000020198539 347412745 /nfs/dbraw/zinc/41/27/45/347412745.db2.gz XIJGGFWYQQLFSK-UHFFFAOYSA-N 1 3 216.325 0.069 20 0 BCADHO O[C@H](CNC[C@@H]1CCC[C@H]1O)C[NH+]1CCCC1 ZINC000250821389 362823416 /nfs/dbraw/zinc/82/34/16/362823416.db2.gz GDOUPAYQYPQPMN-YNEHKIRRSA-N 1 3 242.363 0.194 20 0 BCADHO COCC(COC)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000388423782 347398290 /nfs/dbraw/zinc/39/82/90/347398290.db2.gz JBZXOIDINYPHSH-VHSXEESVSA-N 1 3 216.325 0.507 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215822 365884892 /nfs/dbraw/zinc/88/48/92/365884892.db2.gz TYYUDSUDRRLUOP-GMTAPVOTSA-N 1 3 225.336 0.147 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133517 347468905 /nfs/dbraw/zinc/46/89/05/347468905.db2.gz JKSTWYLUVLCZSE-SNVBAGLBSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133517 347468907 /nfs/dbraw/zinc/46/89/07/347468907.db2.gz JKSTWYLUVLCZSE-SNVBAGLBSA-N 1 3 215.341 0.426 20 0 BCADHO O[C@H](CNCC1(O)CCC1)C[NH+]1CCCCC1 ZINC000380102239 365880883 /nfs/dbraw/zinc/88/08/83/365880883.db2.gz XOVSQGYMUIZVBP-GFCCVEGCSA-N 1 3 242.363 0.338 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000382986594 347522259 /nfs/dbraw/zinc/52/22/59/347522259.db2.gz WFLYNCHHMOVFBY-JQWIXIFHSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000382986593 347522597 /nfs/dbraw/zinc/52/25/97/347522597.db2.gz WFLYNCHHMOVFBY-CMPLNLGQSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000571641037 323150550 /nfs/dbraw/zinc/15/05/50/323150550.db2.gz YUQUSJFBTRAZQR-GUBZILKMSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@H]1C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000082476690 347618359 /nfs/dbraw/zinc/61/83/59/347618359.db2.gz SCANZYUVVIHKNX-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000591096395 347618522 /nfs/dbraw/zinc/61/85/22/347618522.db2.gz IVZGSEFSPVMVKO-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000591096395 347618524 /nfs/dbraw/zinc/61/85/24/347618524.db2.gz IVZGSEFSPVMVKO-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO CN1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000591101272 347619668 /nfs/dbraw/zinc/61/96/68/347619668.db2.gz GONGXQIJUKIDAB-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000591442543 347662066 /nfs/dbraw/zinc/66/20/66/347662066.db2.gz QYKCTVBINHTXBO-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000591442543 347662068 /nfs/dbraw/zinc/66/20/68/347662068.db2.gz QYKCTVBINHTXBO-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000591442545 347662183 /nfs/dbraw/zinc/66/21/83/347662183.db2.gz QYKCTVBINHTXBO-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000591442545 347662185 /nfs/dbraw/zinc/66/21/85/347662185.db2.gz QYKCTVBINHTXBO-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO COC(=O)[C@@H](C)CN(C)C[C@H]1CC[NH2+]C1 ZINC000592493351 347787913 /nfs/dbraw/zinc/78/79/13/347787913.db2.gz OZUBRMZEAPTCOX-UWVGGRQHSA-N 1 3 214.309 0.337 20 0 BCADHO COC(=O)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000594581090 348076371 /nfs/dbraw/zinc/07/63/71/348076371.db2.gz MUZSYEACLYLUIH-VHSXEESVSA-N 1 3 226.320 0.799 20 0 BCADHO C(SC[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000594696519 348100703 /nfs/dbraw/zinc/10/07/03/348100703.db2.gz PIGDQKXSJGQXQK-NSHDSACASA-N 1 3 230.377 0.708 20 0 BCADHO COC(=O)[C@@H]1C[C@H]1[C@H](C)NCCC[NH+](C)C ZINC000594920694 348155285 /nfs/dbraw/zinc/15/52/85/348155285.db2.gz HHGBHLGVLBTNMV-GARJFASQSA-N 1 3 228.336 0.725 20 0 BCADHO C[C@H](CSCCF)NC[C@@H](O)C[NH+](C)C ZINC000595020066 348171402 /nfs/dbraw/zinc/17/14/02/348171402.db2.gz SWUAGPKLDNXIBE-NXEZZACHSA-N 1 3 238.372 0.590 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000253181046 348347390 /nfs/dbraw/zinc/34/73/90/348347390.db2.gz UEPRILLIBJGIPC-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC(F)F)[NH+]1CCCC1 ZINC000383341373 348347674 /nfs/dbraw/zinc/34/76/74/348347674.db2.gz KQQPHOGUBWVMKQ-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO COC(=O)C12CC(C1)CN2CC1CC[NH2+]CC1 ZINC000595882431 348388609 /nfs/dbraw/zinc/38/86/09/348388609.db2.gz KEOABCDOIRMLKW-UHFFFAOYSA-N 1 3 238.331 0.623 20 0 BCADHO CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595903545 348395577 /nfs/dbraw/zinc/39/55/77/348395577.db2.gz XYCZOJFDQANUNB-DCAQKATOSA-N 1 3 225.336 0.275 20 0 BCADHO CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595903545 348395579 /nfs/dbraw/zinc/39/55/79/348395579.db2.gz XYCZOJFDQANUNB-DCAQKATOSA-N 1 3 225.336 0.275 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H](C)NC ZINC000054071667 348873906 /nfs/dbraw/zinc/87/39/06/348873906.db2.gz RIJHKNFGOCEBBZ-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000054071944 348874663 /nfs/dbraw/zinc/87/46/63/348874663.db2.gz VARMTCPWTZIACX-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2COCCO2)C1 ZINC000250631742 349176701 /nfs/dbraw/zinc/17/67/01/349176701.db2.gz DFMHFBDWEYJUOK-MXWKQRLJSA-N 1 3 214.309 0.261 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250886547 349181028 /nfs/dbraw/zinc/18/10/28/349181028.db2.gz WODMKDYOSDZPBF-NWDGAFQWSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000250886547 349181031 /nfs/dbraw/zinc/18/10/31/349181031.db2.gz WODMKDYOSDZPBF-NWDGAFQWSA-N 1 3 237.347 0.481 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@H](C)COC)C1 ZINC000251134261 349182692 /nfs/dbraw/zinc/18/26/92/349182692.db2.gz UZTBHLPWMZOPCH-QWRGUYRKSA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000251134261 349182694 /nfs/dbraw/zinc/18/26/94/349182694.db2.gz UZTBHLPWMZOPCH-QWRGUYRKSA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000251134261 349182695 /nfs/dbraw/zinc/18/26/95/349182695.db2.gz UZTBHLPWMZOPCH-QWRGUYRKSA-N 1 3 200.326 0.810 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@H](C)O)C1 ZINC000250507757 349174407 /nfs/dbraw/zinc/17/44/07/349174407.db2.gz AHRNZIAWHHVKHU-RYUDHWBXSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@H](C)O)C1 ZINC000250507757 349174408 /nfs/dbraw/zinc/17/44/08/349174408.db2.gz AHRNZIAWHHVKHU-RYUDHWBXSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000250507757 349174410 /nfs/dbraw/zinc/17/44/10/349174410.db2.gz AHRNZIAWHHVKHU-RYUDHWBXSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000252656327 349208602 /nfs/dbraw/zinc/20/86/02/349208602.db2.gz CTGLHFZRBCGONR-DCAQKATOSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252851467 349219113 /nfs/dbraw/zinc/21/91/13/349219113.db2.gz IBQUEOKFVAYRRW-KKOKHZNYSA-N 1 3 239.363 0.665 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N(CC)CC ZINC000449604735 201984150 /nfs/dbraw/zinc/98/41/50/201984150.db2.gz UHVOESXRFNNQSI-GARJFASQSA-N 1 3 229.368 0.959 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000061645134 349375839 /nfs/dbraw/zinc/37/58/39/349375839.db2.gz UJUMXWZJUPNLRC-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCC[C@@H]1CN(C)C ZINC000061645193 349376085 /nfs/dbraw/zinc/37/60/85/349376085.db2.gz WFCRIVVQKRVPSJ-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)NCCN(C)C ZINC000342669202 538049303 /nfs/dbraw/zinc/04/93/03/538049303.db2.gz WTAUQTQDJZMKDU-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO C[C@@H]1CCNC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000422718030 192440661 /nfs/dbraw/zinc/44/06/61/192440661.db2.gz WQWFFDUFYXWYLE-NEPJUHHUSA-N 1 3 243.420 0.623 20 0 BCADHO CN(C)CCN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637014518 350140126 /nfs/dbraw/zinc/14/01/26/350140126.db2.gz GKRJKHBSLHLPMK-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)C1C[NH2+]C1 ZINC000219942092 350151478 /nfs/dbraw/zinc/15/14/78/350151478.db2.gz IZCNMSMMYWSSIX-VHSXEESVSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)N(C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236648500 191059205 /nfs/dbraw/zinc/05/92/05/191059205.db2.gz ALWAZXGTWNNMPY-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236758909 191061082 /nfs/dbraw/zinc/06/10/82/191061082.db2.gz TZZZLZVLXSYHGL-MNOVXSKESA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@H](O)C[N@H+](C)CC ZINC000309225870 350212875 /nfs/dbraw/zinc/21/28/75/350212875.db2.gz HOFVIKXAKWQEIK-VXGBXAGGSA-N 1 3 232.368 0.392 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@H](O)C[N@@H+](C)CC ZINC000309225870 350212877 /nfs/dbraw/zinc/21/28/77/350212877.db2.gz HOFVIKXAKWQEIK-VXGBXAGGSA-N 1 3 232.368 0.392 20 0 BCADHO Cc1nccn1CCC[N@@H+](C)[C@@H](C)CN ZINC000336741229 180234528 /nfs/dbraw/zinc/23/45/28/180234528.db2.gz MZTADAZVKPMMMN-JTQLQIEISA-N 1 3 210.325 0.861 20 0 BCADHO Cc1nccn1CCC[N@H+](C)[C@@H](C)CN ZINC000336741229 180234530 /nfs/dbraw/zinc/23/45/30/180234530.db2.gz MZTADAZVKPMMMN-JTQLQIEISA-N 1 3 210.325 0.861 20 0 BCADHO Cc1nccn1CCCN(C)[C@@H](C)C[NH3+] ZINC000336741229 180234533 /nfs/dbraw/zinc/23/45/33/180234533.db2.gz MZTADAZVKPMMMN-JTQLQIEISA-N 1 3 210.325 0.861 20 0 BCADHO C[NH+](C)Cc1ccc(CNC(=O)CN)cc1 ZINC000309261255 350243708 /nfs/dbraw/zinc/24/37/08/350243708.db2.gz IDJKVBIDIAXPMU-UHFFFAOYSA-N 1 3 221.304 0.323 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](C)CC[NH3+] ZINC000309101790 323317415 /nfs/dbraw/zinc/31/74/15/323317415.db2.gz GDMYIIRUHUAQBE-PSASIEDQSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CCN1CCCN1CCOCC1 ZINC000565155142 323319688 /nfs/dbraw/zinc/31/96/88/323319688.db2.gz CPPOTINEAVZSFA-STQMWFEESA-N 1 3 241.379 0.520 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)CN(C)C(C)C ZINC000429141678 191096878 /nfs/dbraw/zinc/09/68/78/191096878.db2.gz LOKKNIXKDVPEQC-SNVBAGLBSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000069840045 350414678 /nfs/dbraw/zinc/41/46/78/350414678.db2.gz PVZVFMCWJAFAEE-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1CN(C)C ZINC000069840249 350418558 /nfs/dbraw/zinc/41/85/58/350418558.db2.gz WIHPKUSUINNUBC-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO COCC[C@H](COC)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000309346265 323344873 /nfs/dbraw/zinc/34/48/73/323344873.db2.gz MGWHAXDDANLPHV-GRYCIOLGSA-N 1 3 230.352 0.897 20 0 BCADHO C[C@H]1CN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)CN1 ZINC000637340008 350465899 /nfs/dbraw/zinc/46/58/99/350465899.db2.gz NMPDGDKOMBCEHI-UWVGGRQHSA-N 1 3 240.351 0.130 20 0 BCADHO C[NH2+]CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000577491631 365967109 /nfs/dbraw/zinc/96/71/09/365967109.db2.gz CJNPDLXKXJPJSH-UHFFFAOYSA-N 1 3 249.314 0.717 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000577501939 365970898 /nfs/dbraw/zinc/97/08/98/365970898.db2.gz VZBUHCGBJOCHIW-KWQFWETISA-N 1 3 237.303 0.619 20 0 BCADHO C[C@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220411339 490599240 /nfs/dbraw/zinc/59/92/40/490599240.db2.gz YNEKCDCLDGMGAA-UBJLHIIHSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220411339 490599241 /nfs/dbraw/zinc/59/92/41/490599241.db2.gz YNEKCDCLDGMGAA-UBJLHIIHSA-N 1 3 225.336 0.465 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309452914 323410453 /nfs/dbraw/zinc/41/04/53/323410453.db2.gz MYYQJIYFBMGOKO-GUBZILKMSA-N 1 3 213.325 0.084 20 0 BCADHO CC[C@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000309517937 350693990 /nfs/dbraw/zinc/69/39/90/350693990.db2.gz ZFXBJSUTSICTDJ-ZJUUUORDSA-N 1 3 211.309 0.077 20 0 BCADHO CCOC[C@@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000577617927 366019712 /nfs/dbraw/zinc/01/97/12/366019712.db2.gz TWMAUWOZBIJION-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000577617927 366019717 /nfs/dbraw/zinc/01/97/17/366019717.db2.gz TWMAUWOZBIJION-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000577617927 366019722 /nfs/dbraw/zinc/01/97/22/366019722.db2.gz TWMAUWOZBIJION-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000577617928 366020011 /nfs/dbraw/zinc/02/00/11/366020011.db2.gz TWMAUWOZBIJION-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000577617928 366020018 /nfs/dbraw/zinc/02/00/18/366020018.db2.gz TWMAUWOZBIJION-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000577617928 366020024 /nfs/dbraw/zinc/02/00/24/366020024.db2.gz TWMAUWOZBIJION-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C(C)(C)O ZINC000382817950 351052765 /nfs/dbraw/zinc/05/27/65/351052765.db2.gz VJEFTHFKPKNGFD-GHMZBOCLSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C(C)(C)O ZINC000382817950 351052769 /nfs/dbraw/zinc/05/27/69/351052769.db2.gz VJEFTHFKPKNGFD-GHMZBOCLSA-N 1 3 232.368 0.390 20 0 BCADHO C[N@@H+]1CC[C@@H](N[C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575409 363004439 /nfs/dbraw/zinc/00/44/39/363004439.db2.gz ZFKRZOHUVZVMKH-GMTAPVOTSA-N 1 3 212.337 0.972 20 0 BCADHO C[N@H+]1CC[C@@H](N[C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575409 363004446 /nfs/dbraw/zinc/00/44/46/363004446.db2.gz ZFKRZOHUVZVMKH-GMTAPVOTSA-N 1 3 212.337 0.972 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079520635 351071217 /nfs/dbraw/zinc/07/12/17/351071217.db2.gz ZVQJUSGUCPKEOZ-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637817504 351661361 /nfs/dbraw/zinc/66/13/61/351661361.db2.gz WGXGJMZVYZKHIP-SNVBAGLBSA-N 1 3 236.319 0.519 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000637803259 351638835 /nfs/dbraw/zinc/63/88/35/351638835.db2.gz BPLDSSKEINGUEM-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637817503 351661726 /nfs/dbraw/zinc/66/17/26/351661726.db2.gz WGXGJMZVYZKHIP-JTQLQIEISA-N 1 3 236.319 0.519 20 0 BCADHO CCN[C@@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000637818069 351658432 /nfs/dbraw/zinc/65/84/32/351658432.db2.gz AGGXNSPHIOHVKG-IDKOKCKLSA-N 1 3 213.325 0.371 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000637820472 351660606 /nfs/dbraw/zinc/66/06/06/351660606.db2.gz OERKTNADVBWJLP-MXWKQRLJSA-N 1 3 227.352 0.489 20 0 BCADHO CN(CC(=O)NC1CC[NH2+]CC1)CC(C)(C)C ZINC000637798116 351626579 /nfs/dbraw/zinc/62/65/79/351626579.db2.gz KSIVCKBJHFTMMJ-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637798895 351628151 /nfs/dbraw/zinc/62/81/51/351628151.db2.gz ODXHRYNKEDJVDP-MNOVXSKESA-N 1 3 227.352 0.700 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000637832112 351680907 /nfs/dbraw/zinc/68/09/07/351680907.db2.gz HSSNTJYDTHIWPF-CMPLNLGQSA-N 1 3 235.331 0.801 20 0 BCADHO CC[C@@H](C(=O)NC1(C[NH3+])CCCC1)N(C)C ZINC000637839313 351689778 /nfs/dbraw/zinc/68/97/78/351689778.db2.gz IUWWUEGKXFTCGT-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838633 351693856 /nfs/dbraw/zinc/69/38/56/351693856.db2.gz ACCWZECUGFIBTN-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000637838632 351693872 /nfs/dbraw/zinc/69/38/72/351693872.db2.gz ACCWZECUGFIBTN-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N(C)C ZINC000637839887 351694482 /nfs/dbraw/zinc/69/44/82/351694482.db2.gz CHVVDDAPVQUTCD-CMPLNLGQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H](C)N1 ZINC000637840611 351696042 /nfs/dbraw/zinc/69/60/42/351696042.db2.gz PMVJPALTVUUIQP-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H](C)N1 ZINC000637840611 351696045 /nfs/dbraw/zinc/69/60/45/351696045.db2.gz PMVJPALTVUUIQP-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000637843145 351701750 /nfs/dbraw/zinc/70/17/50/351701750.db2.gz WLNPDCDXGZYDMR-VHSXEESVSA-N 1 3 215.341 0.556 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000577708940 366040941 /nfs/dbraw/zinc/04/09/41/366040941.db2.gz KRZAVZZGXQIVCQ-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000577708938 366040949 /nfs/dbraw/zinc/04/09/49/366040949.db2.gz KRZAVZZGXQIVCQ-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])N(C)C ZINC000637847189 351705376 /nfs/dbraw/zinc/70/53/76/351705376.db2.gz LWEPKVFGZXPKRG-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000577720085 366042422 /nfs/dbraw/zinc/04/24/22/366042422.db2.gz XVIIIANAQISBSX-ZRUFSTJUSA-N 1 3 227.352 0.556 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C(C)C ZINC000637828282 351670053 /nfs/dbraw/zinc/67/00/53/351670053.db2.gz DZEQYRJMCXRVHY-UHFFFAOYSA-N 1 3 238.335 0.765 20 0 BCADHO CN(CC(=O)NC[C@H]1CCC[NH2+]1)CC(C)(C)C ZINC000637827246 351676040 /nfs/dbraw/zinc/67/60/40/351676040.db2.gz OIKZELJQVTZNSJ-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859214 351716222 /nfs/dbraw/zinc/71/62/22/351716222.db2.gz ILBOYIPZCFPFIS-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO CN(CC(=O)N1CCC[C@@H]1C[NH3+])CC(C)(C)C ZINC000637860145 351721018 /nfs/dbraw/zinc/72/10/18/351721018.db2.gz WFDAHWPMQMTTTJ-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000637860585 351722191 /nfs/dbraw/zinc/72/21/91/351722191.db2.gz BDDQOIMKSIGFHS-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000637854130 351712938 /nfs/dbraw/zinc/71/29/38/351712938.db2.gz DKOBTHMEOADOKD-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO O=C(CCC1C[NH2+]C1)NCCN1CCCC1 ZINC000638055206 351930008 /nfs/dbraw/zinc/93/00/08/351930008.db2.gz GTCSROIXPNVLOS-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000638069354 351941785 /nfs/dbraw/zinc/94/17/85/351941785.db2.gz JMNCTBKFKPFMIA-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)N(C)C ZINC000638080822 351953457 /nfs/dbraw/zinc/95/34/57/351953457.db2.gz REACOOKYXCZGCQ-PSASIEDQSA-N 1 3 211.309 0.100 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000638150061 352011130 /nfs/dbraw/zinc/01/11/30/352011130.db2.gz VHXQCAUXYQDIDD-UTUOFQBUSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638150417 352011166 /nfs/dbraw/zinc/01/11/66/352011166.db2.gz NNRHDDNDDNWVLK-JTQLQIEISA-N 1 3 213.325 0.086 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638151192 352012066 /nfs/dbraw/zinc/01/20/66/352012066.db2.gz ARZPSVKDWWVJQL-WDEREUQCSA-N 1 3 227.352 0.603 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000638098346 351978262 /nfs/dbraw/zinc/97/82/62/351978262.db2.gz BUIXWNYACCSGJX-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000638100251 351980996 /nfs/dbraw/zinc/98/09/96/351980996.db2.gz LNQBVLCPCHTVNF-PWSUYJOCSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN(C)CCCOC ZINC000638121061 351995117 /nfs/dbraw/zinc/99/51/17/351995117.db2.gz DFJGOUWIZDLXQM-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000638126914 351998113 /nfs/dbraw/zinc/99/81/13/351998113.db2.gz RNLCDWRRNNYSAO-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CCC2C[NH2+]C2)C1 ZINC000638126489 351998331 /nfs/dbraw/zinc/99/83/31/351998331.db2.gz NFSWBAJVQMMUBZ-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO CCN[C@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138572 352003455 /nfs/dbraw/zinc/00/34/55/352003455.db2.gz HUXUXCNNQQKIIQ-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000638140368 352003555 /nfs/dbraw/zinc/00/35/55/352003555.db2.gz AIOVEIDEVUMMIS-NXEZZACHSA-N 1 3 215.341 0.461 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CCC(C)C ZINC000638212475 352074489 /nfs/dbraw/zinc/07/44/89/352074489.db2.gz JBSLXOLTCUZTSO-GHMZBOCLSA-N 1 3 229.368 0.864 20 0 BCADHO CO[C@@](C)(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000638186363 352052801 /nfs/dbraw/zinc/05/28/01/352052801.db2.gz ROHWYWVASVZSBL-LOWVWBTDSA-N 1 3 224.348 0.953 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCc1ccc2c(c1)CNC2 ZINC000638195807 352058800 /nfs/dbraw/zinc/05/88/00/352058800.db2.gz KLUJLWLMUAMCNT-VIFPVBQESA-N 1 3 233.315 0.643 20 0 BCADHO C[C@H]1NCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC000638203581 352065086 /nfs/dbraw/zinc/06/50/86/352065086.db2.gz GDIFDMNWSQRAFY-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638201941 352066719 /nfs/dbraw/zinc/06/67/19/352066719.db2.gz NOLLYNXXVTXHSW-AEJSXWLSSA-N 1 3 213.325 0.099 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000638205173 352067545 /nfs/dbraw/zinc/06/75/45/352067545.db2.gz GRZJCIRJBKMZQL-BBBLOLIVSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000638153184 352017789 /nfs/dbraw/zinc/01/77/89/352017789.db2.gz CRYZFAHRVXZKDY-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C)CN1 ZINC000638159507 352023913 /nfs/dbraw/zinc/02/39/13/352023913.db2.gz XPZUAEXRMJUUNS-FXPVBKGRSA-N 1 3 223.320 0.243 20 0 BCADHO C[C@@H]1CN(C(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000638159512 352024033 /nfs/dbraw/zinc/02/40/33/352024033.db2.gz XPZUAEXRMJUUNS-YWVKMMECSA-N 1 3 223.320 0.243 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000638158029 352025372 /nfs/dbraw/zinc/02/53/72/352025372.db2.gz NYHPJJBRTAPWEH-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638173014 352040351 /nfs/dbraw/zinc/04/03/51/352040351.db2.gz ZAFOGMWEFPVFFC-PWSUYJOCSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000638287974 352124620 /nfs/dbraw/zinc/12/46/20/352124620.db2.gz YOFFKZQAVDHQRA-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO CO[C@@H](CNCCC[NH+](C)C)C1CCOCC1 ZINC000638288968 352127336 /nfs/dbraw/zinc/12/73/36/352127336.db2.gz HIYAKYATOZPEFA-ZDUSSCGKSA-N 1 3 244.379 0.969 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)N(C)C ZINC000638229181 352085294 /nfs/dbraw/zinc/08/52/94/352085294.db2.gz DHNCTXAJYXSUFH-DDHJBXDOSA-N 1 3 241.379 0.829 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235956 352087114 /nfs/dbraw/zinc/08/71/14/352087114.db2.gz SPBSVCACAGOGIE-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000638243401 352089731 /nfs/dbraw/zinc/08/97/31/352089731.db2.gz OMXZVBCGPIBZCX-NXEZZACHSA-N 1 3 215.341 0.618 20 0 BCADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246840 352093370 /nfs/dbraw/zinc/09/33/70/352093370.db2.gz FTZFGQYZXLIXNL-DCAQKATOSA-N 1 3 243.326 0.144 20 0 BCADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246840 352093372 /nfs/dbraw/zinc/09/33/72/352093372.db2.gz FTZFGQYZXLIXNL-DCAQKATOSA-N 1 3 243.326 0.144 20 0 BCADHO CCN[C@@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638261435 352103745 /nfs/dbraw/zinc/10/37/45/352103745.db2.gz GJWYNQWAPOZSGW-QWRGUYRKSA-N 1 3 227.352 0.633 20 0 BCADHO CCCN1CCCN(C(=O)CC[NH3+])CC1 ZINC000083961267 352106584 /nfs/dbraw/zinc/10/65/84/352106584.db2.gz NQHWBOJQHSSCRG-UHFFFAOYSA-N 1 3 213.325 0.280 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)N(C)C ZINC000638268281 352108109 /nfs/dbraw/zinc/10/81/09/352108109.db2.gz XRHPVUHNPZKFGN-ZJUUUORDSA-N 1 3 227.352 0.583 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271314 352109237 /nfs/dbraw/zinc/10/92/37/352109237.db2.gz VLVJQNYALNEAQP-IUCAKERBSA-N 1 3 213.325 0.241 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638276217 352112918 /nfs/dbraw/zinc/11/29/18/352112918.db2.gz RPEAPLIEWRWZQF-NEPJUHHUSA-N 1 3 237.347 0.587 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000638276866 352113893 /nfs/dbraw/zinc/11/38/93/352113893.db2.gz QDNKSIPUGPXSCW-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638358165 352170329 /nfs/dbraw/zinc/17/03/29/352170329.db2.gz TZEHVUXOTJJGAB-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638370728 352180823 /nfs/dbraw/zinc/18/08/23/352180823.db2.gz NCAWEVNXYPOQII-DJLDLDEBSA-N 1 3 201.314 0.226 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638370729 352180898 /nfs/dbraw/zinc/18/08/98/352180898.db2.gz NCAWEVNXYPOQII-HRDYMLBCSA-N 1 3 201.314 0.226 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C ZINC000638369334 352182208 /nfs/dbraw/zinc/18/22/08/352182208.db2.gz GEDAZVMVLUEZME-IVZWLZJFSA-N 1 3 215.341 0.569 20 0 BCADHO CCN[C@@H](C)C(=O)NCCC[NH2+]C1CC1 ZINC000638374656 352187097 /nfs/dbraw/zinc/18/70/97/352187097.db2.gz PDVGWQVPIHXIGU-VIFPVBQESA-N 1 3 213.325 0.243 20 0 BCADHO CCN1CC[C@@H](C[NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000638381362 352193067 /nfs/dbraw/zinc/19/30/67/352193067.db2.gz KWPVDBAMIUAMSU-STQMWFEESA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC[C@@]2(OC)CCOC2)C1 ZINC000638381362 352193070 /nfs/dbraw/zinc/19/30/70/352193070.db2.gz KWPVDBAMIUAMSU-STQMWFEESA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC[C@@]2(OC)CCOC2)C1 ZINC000638381362 352193075 /nfs/dbraw/zinc/19/30/75/352193075.db2.gz KWPVDBAMIUAMSU-STQMWFEESA-N 1 3 242.363 0.723 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000638386627 352195294 /nfs/dbraw/zinc/19/52/94/352195294.db2.gz RRITXULYXAJMTD-NSHDSACASA-N 1 3 241.379 0.995 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000638312238 352138079 /nfs/dbraw/zinc/13/80/79/352138079.db2.gz FCRDSNJQNUMJJV-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH3+] ZINC000638330823 352149177 /nfs/dbraw/zinc/14/91/77/352149177.db2.gz HXTBLUDBMPVIGJ-GHMZBOCLSA-N 1 3 241.379 0.770 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CCC(C)C ZINC000638433088 352242089 /nfs/dbraw/zinc/24/20/89/352242089.db2.gz VZPXFQYZMODCPQ-ZJUUUORDSA-N 1 3 215.341 0.474 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426825 352234992 /nfs/dbraw/zinc/23/49/92/352234992.db2.gz HNDIMDHICJJAAP-UHFFFAOYSA-N 1 3 234.303 0.129 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C)N(C)C ZINC000638429783 352238039 /nfs/dbraw/zinc/23/80/39/352238039.db2.gz AEGZERPQHNKAOH-BDAKNGLRSA-N 1 3 201.314 0.051 20 0 BCADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000638430717 352238608 /nfs/dbraw/zinc/23/86/08/352238608.db2.gz HGEDXGRJTFHBPM-NXEZZACHSA-N 1 3 243.326 0.226 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000638399539 352204221 /nfs/dbraw/zinc/20/42/21/352204221.db2.gz ITFKJRIRYUYEON-SDDRHHMPSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)N(C)C ZINC000638399063 352205737 /nfs/dbraw/zinc/20/57/37/352205737.db2.gz YBQQFRCKEWORJP-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497797 352317562 /nfs/dbraw/zinc/31/75/62/352317562.db2.gz HVJCESJEQRVWGV-QWRGUYRKSA-N 1 3 239.363 0.761 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499595 352319150 /nfs/dbraw/zinc/31/91/50/352319150.db2.gz QWTZRBVLKHUZAL-ZYHUDNBSSA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499903 352319312 /nfs/dbraw/zinc/31/93/12/352319312.db2.gz SOECOYSSVYOIAQ-NXEZZACHSA-N 1 3 239.363 0.761 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638487894 352298289 /nfs/dbraw/zinc/29/82/89/352298289.db2.gz BUEHZFDMCMWALH-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638487894 352298291 /nfs/dbraw/zinc/29/82/91/352298291.db2.gz BUEHZFDMCMWALH-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638511117 352335510 /nfs/dbraw/zinc/33/55/10/352335510.db2.gz ZOJDKZWMPMWJIG-UWVGGRQHSA-N 1 3 237.347 0.385 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)C ZINC000638511905 352336510 /nfs/dbraw/zinc/33/65/10/352336510.db2.gz HRBWKGYWLFKWKU-WDEREUQCSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(CC)CC[NH3+] ZINC000638522486 352355733 /nfs/dbraw/zinc/35/57/33/352355733.db2.gz HURBUBVGHMUKMQ-SNVBAGLBSA-N 1 3 201.314 0.311 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000638516028 352342804 /nfs/dbraw/zinc/34/28/04/352342804.db2.gz KMAFYONUYPUITC-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638528629 352362243 /nfs/dbraw/zinc/36/22/43/352362243.db2.gz MIXXRJFRFQAWAM-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638528630 352362308 /nfs/dbraw/zinc/36/23/08/352362308.db2.gz MIXXRJFRFQAWAM-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638535754 352367503 /nfs/dbraw/zinc/36/75/03/352367503.db2.gz DXIYGLWZSOITDZ-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC000638572677 352401501 /nfs/dbraw/zinc/40/15/01/352401501.db2.gz UCDKURMBFWNWED-QJPTWQEYSA-N 1 3 241.379 0.829 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN(CC)CC ZINC000638572800 352401141 /nfs/dbraw/zinc/40/11/41/352401141.db2.gz YZBHUHHCFCPOIF-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN(C)CC(=O)N(C)CCOCC[NH2+]C ZINC000638591106 352422507 /nfs/dbraw/zinc/42/25/07/352422507.db2.gz DBEMVMKBNRYLBZ-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000638639840 352481818 /nfs/dbraw/zinc/48/18/18/352481818.db2.gz NTSQFXLXRLEJMS-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641692 352484709 /nfs/dbraw/zinc/48/47/09/352484709.db2.gz TYSIWRQOXKVSFK-PSASIEDQSA-N 1 3 236.319 0.517 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643906 352486051 /nfs/dbraw/zinc/48/60/51/352486051.db2.gz NEAGIMFMEYPDFD-WDEREUQCSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)C(N)C(F)(F)F)C[NH2+]1 ZINC000638642354 352486059 /nfs/dbraw/zinc/48/60/59/352486059.db2.gz IXOXKVPVUHTZMW-DSYKOEDSSA-N 1 3 239.241 0.133 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643904 352486137 /nfs/dbraw/zinc/48/61/37/352486137.db2.gz NEAGIMFMEYPDFD-MNOVXSKESA-N 1 3 227.352 0.583 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643561 352486217 /nfs/dbraw/zinc/48/62/17/352486217.db2.gz LTPACJAYAQXGPQ-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643562 352486317 /nfs/dbraw/zinc/48/63/17/352486317.db2.gz LTPACJAYAQXGPQ-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CC(F)F)C[NH2+]1 ZINC000638643863 352486338 /nfs/dbraw/zinc/48/63/38/352486338.db2.gz MQDAEZCKOBFLEO-PRJMDXOYSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@H]2NCC2(C)C)C[NH2+]1 ZINC000638645691 352489836 /nfs/dbraw/zinc/48/98/36/352489836.db2.gz WRFOUWOVCVSEJZ-OPRDCNLKSA-N 1 3 225.336 0.241 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCCOCCC[NH3+] ZINC000638664125 352506296 /nfs/dbraw/zinc/50/62/96/352506296.db2.gz QSMNGNKOVVSMRY-NSHDSACASA-N 1 3 245.367 0.232 20 0 BCADHO [NH3+]CCCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638667905 352510470 /nfs/dbraw/zinc/51/04/70/352510470.db2.gz FRSWOPREWDXUCN-UHFFFAOYSA-N 1 3 249.314 0.846 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCN1C ZINC000638727429 352586313 /nfs/dbraw/zinc/58/63/13/352586313.db2.gz HQTYLFSCPKIHEV-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000040469111 352598333 /nfs/dbraw/zinc/59/83/33/352598333.db2.gz XHSBMPLYPHXIMO-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)C(C)(C)[NH3+] ZINC000040921033 352600006 /nfs/dbraw/zinc/60/00/06/352600006.db2.gz NSRKSUHUOSDFSN-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803271 352604599 /nfs/dbraw/zinc/60/45/99/352604599.db2.gz LYSUNHIONMLRRB-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CN(CCN1CC[NH2+]CC1)C[C@H]1CCCCO1 ZINC000042308783 352617899 /nfs/dbraw/zinc/61/78/99/352617899.db2.gz GZQDDGKWJBXZGQ-CYBMUJFWSA-N 1 3 241.379 0.393 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726727 352655428 /nfs/dbraw/zinc/65/54/28/352655428.db2.gz QCFDREIZSMTBLZ-GWCFXTLKSA-N 1 3 239.363 0.857 20 0 BCADHO CN(C(=O)C(C)(C)C[NH3+])C1CCN(C)CC1 ZINC000044751092 352655797 /nfs/dbraw/zinc/65/57/97/352655797.db2.gz NOOKDFDGIFJJQH-UHFFFAOYSA-N 1 3 227.352 0.524 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCN(C2CC2)CC1 ZINC000042491212 352622059 /nfs/dbraw/zinc/62/20/59/352622059.db2.gz LOOSZBQSXSULGJ-UHFFFAOYSA-N 1 3 223.364 0.766 20 0 BCADHO CC(C)(N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000577852077 366084149 /nfs/dbraw/zinc/08/41/49/366084149.db2.gz VPCVVGXERFBNNJ-YFKPBYRVSA-N 1 3 227.230 0.120 20 0 BCADHO C[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334185716 352774943 /nfs/dbraw/zinc/77/49/43/352774943.db2.gz CDZVHPNVOZHDTH-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334185716 352774945 /nfs/dbraw/zinc/77/49/45/352774945.db2.gz CDZVHPNVOZHDTH-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[NH2+]C2)CC2(CCC2)C1 ZINC000638792280 352753716 /nfs/dbraw/zinc/75/37/16/352753716.db2.gz IGDXAANDHGBRKS-SECBINFHSA-N 1 3 223.320 0.126 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCOc2ccc(CN)cc21 ZINC000638803197 352975607 /nfs/dbraw/zinc/97/56/07/352975607.db2.gz HMEJIJAYOTYQJP-VIFPVBQESA-N 1 3 249.314 0.608 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCOc2ccc(CN)cc21 ZINC000638803196 352975851 /nfs/dbraw/zinc/97/58/51/352975851.db2.gz HMEJIJAYOTYQJP-SECBINFHSA-N 1 3 249.314 0.608 20 0 BCADHO CC[C@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638804442 352978586 /nfs/dbraw/zinc/97/85/86/352978586.db2.gz VELZSVPSVBOJTE-JTQLQIEISA-N 1 3 249.314 0.608 20 0 BCADHO CC[C@@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638806723 352982531 /nfs/dbraw/zinc/98/25/31/352982531.db2.gz VELZSVPSVBOJTE-SNVBAGLBSA-N 1 3 249.314 0.608 20 0 BCADHO CC[C@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638840420 353016975 /nfs/dbraw/zinc/01/69/75/353016975.db2.gz AVAXBMPPKYRQIM-ZDUSSCGKSA-N 1 3 247.342 0.686 20 0 BCADHO C[C@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638841974 353018019 /nfs/dbraw/zinc/01/80/19/353018019.db2.gz IFWKTIKVMQDNAA-VIFPVBQESA-N 1 3 233.315 0.296 20 0 BCADHO CC(C)(N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334378568 535194540 /nfs/dbraw/zinc/19/45/40/535194540.db2.gz HHXBCPOJQIJZQM-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CN2CCC1CC2 ZINC000638854512 353026247 /nfs/dbraw/zinc/02/62/47/353026247.db2.gz QCNOZPZAUZXPDE-QNWHQSFQSA-N 1 3 249.358 0.004 20 0 BCADHO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000638854628 353029259 /nfs/dbraw/zinc/02/92/59/353029259.db2.gz SAGNNPOYAMBHBM-TUAOUCFPSA-N 1 3 237.347 0.276 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816838 352998096 /nfs/dbraw/zinc/99/80/96/352998096.db2.gz VSBJSJLKPQFHNF-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822992 353004516 /nfs/dbraw/zinc/00/45/16/353004516.db2.gz NRAIMCVVWQRPPE-ZJUUUORDSA-N 1 3 213.325 0.454 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCCC1 ZINC000638909745 353067082 /nfs/dbraw/zinc/06/70/82/353067082.db2.gz JVFNAOVJYUVSPN-UWVGGRQHSA-N 1 3 223.320 0.221 20 0 BCADHO N[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638913875 353072145 /nfs/dbraw/zinc/07/21/45/353072145.db2.gz GOFWZLNHKSPGGR-RWMBFGLXSA-N 1 3 245.326 0.649 20 0 BCADHO O=C(c1ccc2c(c1)CNC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638914722 353073245 /nfs/dbraw/zinc/07/32/45/353073245.db2.gz UEDNNBSLGRRHIS-STQMWFEESA-N 1 3 243.310 0.476 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638881040 353048290 /nfs/dbraw/zinc/04/82/90/353048290.db2.gz MVNHDHMHHCGFNQ-AAEUAGOBSA-N 1 3 249.358 0.671 20 0 BCADHO O=C([C@@H]1CCCCN1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918490 353083202 /nfs/dbraw/zinc/08/32/02/353083202.db2.gz RQXBJNJHVUHBTN-AXFHLTTASA-N 1 3 223.320 0.091 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(C)CC1 ZINC000638935111 353099991 /nfs/dbraw/zinc/09/99/91/353099991.db2.gz LWCGPBYSLIWAPR-ONGXEEELSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(C)CC1 ZINC000638935106 353100008 /nfs/dbraw/zinc/10/00/08/353100008.db2.gz LWCGPBYSLIWAPR-GXSJLCMTSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000336683203 188011244 /nfs/dbraw/zinc/01/12/44/188011244.db2.gz JPNQICYHIAHXNE-NEPJUHHUSA-N 1 3 214.353 0.887 20 0 BCADHO CC(C)(C[NH3+])NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331763280 188016643 /nfs/dbraw/zinc/01/66/43/188016643.db2.gz KURRNYLHZLTLMI-SECBINFHSA-N 1 3 240.351 0.260 20 0 BCADHO CC(C)([NH3+])CN1CCN(C2CCC2)CC1 ZINC000261591441 535200001 /nfs/dbraw/zinc/20/00/01/535200001.db2.gz VIZLCAIEWNGZNL-UHFFFAOYSA-N 1 3 211.353 0.894 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[NH+]1CCCCC1 ZINC000049575435 188046007 /nfs/dbraw/zinc/04/60/07/188046007.db2.gz YGTYSLLVKMADNO-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000127131207 188047481 /nfs/dbraw/zinc/04/74/81/188047481.db2.gz HKOHWBUYNKXXKS-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000127131207 188047483 /nfs/dbraw/zinc/04/74/83/188047483.db2.gz HKOHWBUYNKXXKS-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)CN1 ZINC000332147133 188052687 /nfs/dbraw/zinc/05/26/87/188052687.db2.gz NRZQIDDNPCYIND-WCABBAIRSA-N 1 3 240.351 0.116 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643488 358475822 /nfs/dbraw/zinc/47/58/22/358475822.db2.gz WDTGCNHBASYULQ-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643488 358475826 /nfs/dbraw/zinc/47/58/26/358475826.db2.gz WDTGCNHBASYULQ-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO COCCNCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639002074 353250355 /nfs/dbraw/zinc/25/03/55/353250355.db2.gz VILYCKYJRRZDHX-UHFFFAOYSA-N 1 3 243.351 0.000 20 0 BCADHO CC(C)CNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074273 353253343 /nfs/dbraw/zinc/25/33/43/353253343.db2.gz ZSUSTEGATMSNSO-GFCCVEGCSA-N 1 3 241.379 0.819 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022685 353278539 /nfs/dbraw/zinc/27/85/39/353278539.db2.gz PUEQJPDBAHVGLV-GUBZILKMSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000359383838 188241550 /nfs/dbraw/zinc/24/15/50/188241550.db2.gz SNZDQINYYSFLMC-GRYCIOLGSA-N 1 3 239.363 0.250 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368101121 188247131 /nfs/dbraw/zinc/24/71/31/188247131.db2.gz SMRUQXJRQYHNGH-UTUOFQBUSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368368345 188247357 /nfs/dbraw/zinc/24/73/57/188247357.db2.gz BRKMBACWOUBSHA-HBNTYKKESA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044808501 188258279 /nfs/dbraw/zinc/25/82/79/188258279.db2.gz NNTYKIKJIUBFHF-PWSUYJOCSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)[C@H](C)[NH3+] ZINC000165300927 353294450 /nfs/dbraw/zinc/29/44/50/353294450.db2.gz VRRSODKSVUBIRP-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031852 353301436 /nfs/dbraw/zinc/30/14/36/353301436.db2.gz XQSUURYYQIHRAG-GUBZILKMSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)C1CCC1 ZINC000639032407 353301978 /nfs/dbraw/zinc/30/19/78/353301978.db2.gz WGOPSPGQWSDUCX-DCAQKATOSA-N 1 3 225.336 0.500 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972018 188304305 /nfs/dbraw/zinc/30/43/05/188304305.db2.gz VJWQHOQVGHCDCY-MNOVXSKESA-N 1 3 227.352 0.522 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162110275 353306163 /nfs/dbraw/zinc/30/61/63/353306163.db2.gz JGHQCVJSGDIWEX-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000162110421 353306184 /nfs/dbraw/zinc/30/61/84/353306184.db2.gz JGHQCVJSGDIWEX-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CCC[NH3+] ZINC000237079459 188327204 /nfs/dbraw/zinc/32/72/04/188327204.db2.gz DOWMEMDHAAPKGB-LLVKDONJSA-N 1 3 227.352 0.526 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000165526767 353384499 /nfs/dbraw/zinc/38/44/99/353384499.db2.gz XJVGBNRNZDUQEP-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334268653 188353705 /nfs/dbraw/zinc/35/37/05/188353705.db2.gz CFFMQQFLEBXCIS-GFCCVEGCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1CN(CC2CC[NH2+]CC2)C[C@@H](CO)O1 ZINC000230072793 353419406 /nfs/dbraw/zinc/41/94/06/353419406.db2.gz KOTFVZWGFHQFIP-JQWIXIFHSA-N 1 3 228.336 0.068 20 0 BCADHO CC(C)C[C@@H](CNC(=O)C(C)(C)N)[NH+](C)C ZINC000040925223 188396660 /nfs/dbraw/zinc/39/66/60/188396660.db2.gz CGQQECUKPCHCMY-JTQLQIEISA-N 1 3 229.368 0.816 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000574986410 353513817 /nfs/dbraw/zinc/51/38/17/353513817.db2.gz ILVKXRTZEVNHHF-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CCN(CCNC(=O)[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000192108321 353542647 /nfs/dbraw/zinc/54/26/47/353542647.db2.gz FXERRLMPWAGLDD-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000193300669 353589975 /nfs/dbraw/zinc/58/99/75/353589975.db2.gz JZAVKZAMWUQQRZ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000193309857 353590647 /nfs/dbraw/zinc/59/06/47/353590647.db2.gz NKQBHHFIDNAJBQ-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](O)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000398467491 363246098 /nfs/dbraw/zinc/24/60/98/363246098.db2.gz COFIXQMEHMKRTH-STQMWFEESA-N 1 3 244.379 0.584 20 0 BCADHO CO[C@]1(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCOC1 ZINC000639113706 353706713 /nfs/dbraw/zinc/70/67/13/353706713.db2.gz SFQOROPIYDSMST-XQQFMLRXSA-N 1 3 240.347 0.285 20 0 BCADHO CO[C@]1(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCOC1 ZINC000639113706 353706715 /nfs/dbraw/zinc/70/67/15/353706715.db2.gz SFQOROPIYDSMST-XQQFMLRXSA-N 1 3 240.347 0.285 20 0 BCADHO CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCCNCC1 ZINC000232791896 353763577 /nfs/dbraw/zinc/76/35/77/353763577.db2.gz PSZYOKUXYHZDDU-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C1(N)CCC1 ZINC000220121679 353822483 /nfs/dbraw/zinc/82/24/83/353822483.db2.gz UJUWVYXTMAKFJP-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C1(N)CCC1 ZINC000220121679 353822486 /nfs/dbraw/zinc/82/24/86/353822486.db2.gz UJUWVYXTMAKFJP-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)CN1 ZINC000343447000 353890740 /nfs/dbraw/zinc/89/07/40/353890740.db2.gz YVRKKQFSIVXJAJ-NOOOWODRSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366844078 353983810 /nfs/dbraw/zinc/98/38/10/353983810.db2.gz MRWCWPGFTVPIMW-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CCCN(C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343808500 354011315 /nfs/dbraw/zinc/01/13/15/354011315.db2.gz BJFWMKMMQMQGIX-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710590 363321386 /nfs/dbraw/zinc/32/13/86/363321386.db2.gz OPZWMEQGNHFKAG-SNVBAGLBSA-N 1 3 215.341 0.524 20 0 BCADHO CCCN(C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449682116 202003246 /nfs/dbraw/zinc/00/32/46/202003246.db2.gz KUMJFHNIGZVOAF-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627135095 363351303 /nfs/dbraw/zinc/35/13/03/363351303.db2.gz NCHFJLYKVQCHFM-WDEREUQCSA-N 1 3 240.351 0.071 20 0 BCADHO FC1(F)CNCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000334614742 354300311 /nfs/dbraw/zinc/30/03/11/354300311.db2.gz DRBVYCBUOKVIMB-GHMZBOCLSA-N 1 3 247.333 0.963 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000334614742 354300313 /nfs/dbraw/zinc/30/03/13/354300313.db2.gz DRBVYCBUOKVIMB-GHMZBOCLSA-N 1 3 247.333 0.963 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000178601212 366144572 /nfs/dbraw/zinc/14/45/72/366144572.db2.gz QCBQIOHALZBPIK-NXEZZACHSA-N 1 3 227.352 0.428 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000179026547 366199702 /nfs/dbraw/zinc/19/97/02/366199702.db2.gz QKPICYRWDAEWLV-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO COCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617503621 354599872 /nfs/dbraw/zinc/59/98/72/354599872.db2.gz QZAUMBSPTZDYMY-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO COCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617503621 354599874 /nfs/dbraw/zinc/59/98/74/354599874.db2.gz QZAUMBSPTZDYMY-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO C[C@@H]1OCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000235344029 363442589 /nfs/dbraw/zinc/44/25/89/363442589.db2.gz HNPSSGQPSFLWLY-QWRGUYRKSA-N 1 3 216.325 0.332 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750355 202021090 /nfs/dbraw/zinc/02/10/90/202021090.db2.gz IRYVKFHOODGZJC-WPRPVWTQSA-N 1 3 225.336 0.384 20 0 BCADHO CCN(CCO)CC[NH2+]C1CCN(CC)CC1 ZINC000346515261 354963616 /nfs/dbraw/zinc/96/36/16/354963616.db2.gz BSDBUTDGKALUGN-UHFFFAOYSA-N 1 3 243.395 0.375 20 0 BCADHO CCN(CCO)CCNC1CC[NH+](CC)CC1 ZINC000346515261 354963619 /nfs/dbraw/zinc/96/36/19/354963619.db2.gz BSDBUTDGKALUGN-UHFFFAOYSA-N 1 3 243.395 0.375 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335217905 355056333 /nfs/dbraw/zinc/05/63/33/355056333.db2.gz NMUJAGYVLHOHOX-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335217905 355056334 /nfs/dbraw/zinc/05/63/34/355056334.db2.gz NMUJAGYVLHOHOX-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CCC[NH+]1CCC(N[C@H]2C[C@@H](O)C2)CC1 ZINC000449753997 202022978 /nfs/dbraw/zinc/02/29/78/202022978.db2.gz PQXGDFPAWJECOV-TXEJJXNPSA-N 1 3 212.337 0.974 20 0 BCADHO CN(C)C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346844091 355134678 /nfs/dbraw/zinc/13/46/78/355134678.db2.gz YTCCNBGUPKFKQZ-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO COC(=O)[C@]1(C)CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346971118 355207404 /nfs/dbraw/zinc/20/74/04/355207404.db2.gz KMIUFNPIPYKPTI-WCQYABFASA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@]1(C)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000346971118 355207405 /nfs/dbraw/zinc/20/74/05/355207405.db2.gz KMIUFNPIPYKPTI-WCQYABFASA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@]1(C)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000346971118 355207406 /nfs/dbraw/zinc/20/74/06/355207406.db2.gz KMIUFNPIPYKPTI-WCQYABFASA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@@]1(C)CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346971119 355207537 /nfs/dbraw/zinc/20/75/37/355207537.db2.gz KMIUFNPIPYKPTI-YPMHNXCESA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000346971119 355207539 /nfs/dbraw/zinc/20/75/39/355207539.db2.gz KMIUFNPIPYKPTI-YPMHNXCESA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000346971119 355207540 /nfs/dbraw/zinc/20/75/40/355207540.db2.gz KMIUFNPIPYKPTI-YPMHNXCESA-N 1 3 240.347 0.871 20 0 BCADHO CC(C)(O)C[NH+]1CCC(N[C@H]2C[C@@H](O)C2)CC1 ZINC000639240689 355225235 /nfs/dbraw/zinc/22/52/35/355225235.db2.gz WDIGQEFKDLPIED-TXEJJXNPSA-N 1 3 242.363 0.335 20 0 BCADHO CC[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513511 355250289 /nfs/dbraw/zinc/25/02/89/355250289.db2.gz UDNHERKTVFTECZ-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)N(C)C ZINC000413344912 191374253 /nfs/dbraw/zinc/37/42/53/191374253.db2.gz XEKOHBNCLKVFOR-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1C[N@H+](C)CCN1CCCc1cncn1C ZINC000583507553 355344268 /nfs/dbraw/zinc/34/42/68/355344268.db2.gz BKASTKRTPRPBGH-GFCCVEGCSA-N 1 3 236.363 0.989 20 0 BCADHO C[C@@H]1C[N@@H+](C)CCN1CCCc1cncn1C ZINC000583507553 355344271 /nfs/dbraw/zinc/34/42/71/355344271.db2.gz BKASTKRTPRPBGH-GFCCVEGCSA-N 1 3 236.363 0.989 20 0 BCADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccoc1 ZINC000584345109 355361547 /nfs/dbraw/zinc/36/15/47/355361547.db2.gz CHFUIPLRNKQWOH-NSHDSACASA-N 1 3 223.320 0.835 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000353240969 355417547 /nfs/dbraw/zinc/41/75/47/355417547.db2.gz BOMNQIAHXYFRRP-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000353240969 355417552 /nfs/dbraw/zinc/41/75/52/355417552.db2.gz BOMNQIAHXYFRRP-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C(=O)[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000335852304 355596761 /nfs/dbraw/zinc/59/67/61/355596761.db2.gz VCJWZWHCAFHDPZ-CMPLNLGQSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)[C@@H](C)CN1 ZINC000583565517 355647616 /nfs/dbraw/zinc/64/76/16/355647616.db2.gz BKFOTGCODNCZQG-CSMHCCOUSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@@H](C)CN1 ZINC000583565517 355647619 /nfs/dbraw/zinc/64/76/19/355647619.db2.gz BKFOTGCODNCZQG-CSMHCCOUSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC(C)(C)CC[NH3+] ZINC000582182609 355651061 /nfs/dbraw/zinc/65/10/61/355651061.db2.gz LVYJLKZNVGYMET-QMMMGPOBSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371018496 355877781 /nfs/dbraw/zinc/87/77/81/355877781.db2.gz NKAVIPBFBBBJAX-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC000206534240 355935372 /nfs/dbraw/zinc/93/53/72/355935372.db2.gz JSNUNZYKHVBANE-LLVKDONJSA-N 1 3 227.352 0.491 20 0 BCADHO CCN(CCNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000167207675 355977383 /nfs/dbraw/zinc/97/73/83/355977383.db2.gz VLKAKVDPHBDXEF-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCCNCC2)C1 ZINC000167400140 355987709 /nfs/dbraw/zinc/98/77/09/355987709.db2.gz XYNALZIXCXKFBT-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417810497 191932795 /nfs/dbraw/zinc/93/27/95/191932795.db2.gz INLIHNXYXHVFOI-ZJUUUORDSA-N 1 3 227.352 0.476 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000584350194 356062189 /nfs/dbraw/zinc/06/21/89/356062189.db2.gz WEYDSKWBQNQYFT-MNOVXSKESA-N 1 3 227.352 0.557 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418250527 192007206 /nfs/dbraw/zinc/00/72/06/192007206.db2.gz HEUYZFDSWCDIII-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO C[NH2+]CCCNC(=O)N(C)CCN(C)C1CC1 ZINC000418278994 192012552 /nfs/dbraw/zinc/01/25/52/192012552.db2.gz NIQLPONMXQYGKB-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC1(C)CCCN(CCNC(=O)NCC[NH3+])C1 ZINC000418297745 192019991 /nfs/dbraw/zinc/01/99/91/192019991.db2.gz LBOZLPDASTVCBY-UHFFFAOYSA-N 1 3 242.367 0.366 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCCCC1 ZINC000336103577 134083948 /nfs/dbraw/zinc/08/39/48/134083948.db2.gz KQTYALODUYBDFA-WDEREUQCSA-N 1 3 239.363 0.762 20 0 BCADHO CCN1CCCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000331823654 356203737 /nfs/dbraw/zinc/20/37/37/356203737.db2.gz CGBVFYMIYRAJJF-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@]1(F)CCNC1 ZINC000376789440 192018572 /nfs/dbraw/zinc/01/85/72/192018572.db2.gz HZQIXFGPDISOGU-PWSUYJOCSA-N 1 3 245.342 0.520 20 0 BCADHO CCOC(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000420293552 192203887 /nfs/dbraw/zinc/20/38/87/192203887.db2.gz RGBGYLVCDSPYJU-LLVKDONJSA-N 1 3 214.309 0.657 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333503656 356294878 /nfs/dbraw/zinc/29/48/78/356294878.db2.gz DPSJTKBBTPPSNZ-ZDCRXTMVSA-N 1 3 237.347 0.099 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488825 356305339 /nfs/dbraw/zinc/30/53/39/356305339.db2.gz LNOAXDXXDZFKHO-RYUDHWBXSA-N 1 3 249.362 0.649 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488825 356305343 /nfs/dbraw/zinc/30/53/43/356305343.db2.gz LNOAXDXXDZFKHO-RYUDHWBXSA-N 1 3 249.362 0.649 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488824 356305671 /nfs/dbraw/zinc/30/56/71/356305671.db2.gz LNOAXDXXDZFKHO-NWDGAFQWSA-N 1 3 249.362 0.649 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639488824 356305673 /nfs/dbraw/zinc/30/56/73/356305673.db2.gz LNOAXDXXDZFKHO-NWDGAFQWSA-N 1 3 249.362 0.649 20 0 BCADHO CCN(CC)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617750356 356309362 /nfs/dbraw/zinc/30/93/62/356309362.db2.gz BVLHDVLOJSUSRP-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)N(C)C ZINC000617755115 356313482 /nfs/dbraw/zinc/31/34/82/356313482.db2.gz IFIGXACUMZBHMT-GHMZBOCLSA-N 1 3 229.368 0.783 20 0 BCADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC000617759509 356315907 /nfs/dbraw/zinc/31/59/07/356315907.db2.gz IRFFJMZHLYGGOH-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO COC[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420295266 192202422 /nfs/dbraw/zinc/20/24/22/192202422.db2.gz CCGJIAPFDYQIIW-OLZOCXBDSA-N 1 3 242.363 0.723 20 0 BCADHO COC[C@H]1CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000420295264 192202675 /nfs/dbraw/zinc/20/26/75/192202675.db2.gz CCGJIAPFDYQIIW-CHWSQXEVSA-N 1 3 242.363 0.723 20 0 BCADHO CN(CC[C@H]1CC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420304247 192209007 /nfs/dbraw/zinc/20/90/07/192209007.db2.gz LIJTVDVYPALLCZ-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO COC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420368275 192225818 /nfs/dbraw/zinc/22/58/18/192225818.db2.gz HYFUISVWYGQKOI-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO COC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000420327259 192229546 /nfs/dbraw/zinc/22/95/46/192229546.db2.gz YAEQNDRCRUQGDS-JTQLQIEISA-N 1 3 202.298 0.513 20 0 BCADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](C)N ZINC000420363678 192224447 /nfs/dbraw/zinc/22/44/47/192224447.db2.gz PTPUQRDOOWBGRS-RKDXNWHRSA-N 1 3 200.282 0.361 20 0 BCADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](C)N ZINC000420363678 192224450 /nfs/dbraw/zinc/22/44/50/192224450.db2.gz PTPUQRDOOWBGRS-RKDXNWHRSA-N 1 3 200.282 0.361 20 0 BCADHO COC(=O)CCCN[C@H](C[NH3+])C(C)(C)C ZINC000420368108 192225068 /nfs/dbraw/zinc/22/50/68/192225068.db2.gz TZSSSWYERZLQEA-SECBINFHSA-N 1 3 216.325 0.903 20 0 BCADHO [NH3+]CCOCCN1CCNC[C@H]1c1ccccc1 ZINC000420412175 192241428 /nfs/dbraw/zinc/24/14/28/192241428.db2.gz SEWXZSJRQIUQTB-AWEZNQCLSA-N 1 3 249.358 0.608 20 0 BCADHO CCN1CCCN(CC[C@@H]2CC[NH2+]C2)CC1=O ZINC000420380869 192233459 /nfs/dbraw/zinc/23/34/59/192233459.db2.gz WYBMOSYAYHHDQW-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019412392 356483297 /nfs/dbraw/zinc/48/32/97/356483297.db2.gz NEUYQFLDSSDPKS-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC(C)C ZINC000019511329 356484444 /nfs/dbraw/zinc/48/44/44/356484444.db2.gz KLHMAELHTCGRPJ-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC(C)C ZINC000019511329 356484445 /nfs/dbraw/zinc/48/44/45/356484445.db2.gz KLHMAELHTCGRPJ-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CN1C1CC1 ZINC000336213115 134135736 /nfs/dbraw/zinc/13/57/36/134135736.db2.gz CVVVXOIPVGCNDZ-UWVGGRQHSA-N 1 3 237.347 0.609 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)N2CCCNCC2)C[NH2+]1 ZINC000627205538 363502079 /nfs/dbraw/zinc/50/20/79/363502079.db2.gz BSGNVFAJODOUGV-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000423018837 192542008 /nfs/dbraw/zinc/54/20/08/192542008.db2.gz ZXVAHTOFTHOIAT-NEPJUHHUSA-N 1 3 241.379 0.866 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@H+](C)C[C@H]1C ZINC000168046759 134155823 /nfs/dbraw/zinc/15/58/23/134155823.db2.gz NXTQIZIAUYVSGG-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000168046759 134155824 /nfs/dbraw/zinc/15/58/24/134155824.db2.gz NXTQIZIAUYVSGG-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@H](C(N)=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757869 356664791 /nfs/dbraw/zinc/66/47/91/356664791.db2.gz QAYHRVWVMWPHBN-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO CCN1CCC([NH2+]C[C@@]2(O)CCN(C)C2)CC1 ZINC000358252849 356864799 /nfs/dbraw/zinc/86/47/99/356864799.db2.gz OAJPWQCCFJKRGX-ZDUSSCGKSA-N 1 3 241.379 0.127 20 0 BCADHO [NH3+]CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418114711 356953564 /nfs/dbraw/zinc/95/35/64/356953564.db2.gz MGMPILQINPHFPS-NSHDSACASA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000582300340 357036812 /nfs/dbraw/zinc/03/68/12/357036812.db2.gz XTSSCCDSSCIFJY-SECBINFHSA-N 1 3 225.336 0.243 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC2(CCC2)C1 ZINC000582306426 357043017 /nfs/dbraw/zinc/04/30/17/357043017.db2.gz OQCZNWOLYYQZKZ-NSHDSACASA-N 1 3 212.337 0.833 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC2(CCC2)C1 ZINC000582306426 357043022 /nfs/dbraw/zinc/04/30/22/357043022.db2.gz OQCZNWOLYYQZKZ-NSHDSACASA-N 1 3 212.337 0.833 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC2(CCC2)C1 ZINC000582306426 357043026 /nfs/dbraw/zinc/04/30/26/357043026.db2.gz OQCZNWOLYYQZKZ-NSHDSACASA-N 1 3 212.337 0.833 20 0 BCADHO [NH3+]CC1(NC(=O)CNC2CC2)CCCC1 ZINC000390529723 357101702 /nfs/dbraw/zinc/10/17/02/357101702.db2.gz IBMGGEDMCQNWNW-UHFFFAOYSA-N 1 3 211.309 0.126 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)C(N)C(F)(F)F ZINC000582349784 357089915 /nfs/dbraw/zinc/08/99/15/357089915.db2.gz GUQHJRUFDZTQRO-ZETCQYMHSA-N 1 3 241.257 0.380 20 0 BCADHO CNC(=O)C[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000390419696 357092394 /nfs/dbraw/zinc/09/23/94/357092394.db2.gz JAEYPFWFROBRRP-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)C[C@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000390419696 357092399 /nfs/dbraw/zinc/09/23/99/357092399.db2.gz JAEYPFWFROBRRP-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H](C[C@H](C)O)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000390679240 357114277 /nfs/dbraw/zinc/11/42/77/357114277.db2.gz WREYLYKUGVLJQU-SCVCMEIPSA-N 1 3 230.352 0.191 20 0 BCADHO C[C@H](C[C@H](C)O)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000390679240 357114281 /nfs/dbraw/zinc/11/42/81/357114281.db2.gz WREYLYKUGVLJQU-SCVCMEIPSA-N 1 3 230.352 0.191 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000582419787 357143342 /nfs/dbraw/zinc/14/33/42/357143342.db2.gz HLVKSBVXNPWWBM-FOGDFJRCSA-N 1 3 235.331 0.408 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(C)C[C@@H]2C)n1 ZINC000392383419 357150347 /nfs/dbraw/zinc/15/03/47/357150347.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 1 3 237.351 0.585 20 0 BCADHO Cc1nc(CC[NH2+][C@H]2CCN(C)C[C@@H]2C)n[nH]1 ZINC000392383419 357150349 /nfs/dbraw/zinc/15/03/49/357150349.db2.gz HCUPISVDBBGHCA-ONGXEEELSA-N 1 3 237.351 0.585 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000583696427 357230634 /nfs/dbraw/zinc/23/06/34/357230634.db2.gz UUAYCROXSKJJNW-GMTAPVOTSA-N 1 3 229.368 0.815 20 0 BCADHO CCOC[C@@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000582490294 357319638 /nfs/dbraw/zinc/31/96/38/357319638.db2.gz ACPHNMAPTHDRNC-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@@H]1CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000582490294 357319641 /nfs/dbraw/zinc/31/96/41/357319641.db2.gz ACPHNMAPTHDRNC-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@@H]1CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000582490294 357319643 /nfs/dbraw/zinc/31/96/43/357319643.db2.gz ACPHNMAPTHDRNC-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582493138 357320638 /nfs/dbraw/zinc/32/06/38/357320638.db2.gz XWEUEPRZMAAYHQ-UTUOFQBUSA-N 1 3 239.363 0.524 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000582493137 357320654 /nfs/dbraw/zinc/32/06/54/357320654.db2.gz XWEUEPRZMAAYHQ-SDDRHHMPSA-N 1 3 239.363 0.524 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCCC[NH2+]C1CC1 ZINC000582667372 357358579 /nfs/dbraw/zinc/35/85/79/357358579.db2.gz MQBKMSDKKHAMNU-QMMMGPOBSA-N 1 3 235.278 0.227 20 0 BCADHO C[NH2+]CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582784108 357392277 /nfs/dbraw/zinc/39/22/77/357392277.db2.gz GOVIOPGRKQKNGP-UHFFFAOYSA-N 1 3 235.287 0.327 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000583153585 357496087 /nfs/dbraw/zinc/49/60/87/357496087.db2.gz PGSXNESMXILQBY-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](c1cccnc1)N1CCC(O)(C[NH3+])CC1 ZINC000397048962 357499311 /nfs/dbraw/zinc/49/93/11/357499311.db2.gz QEYZBOSAGPSVPX-NSHDSACASA-N 1 3 235.331 0.928 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000583082922 357474122 /nfs/dbraw/zinc/47/41/22/357474122.db2.gz RBIVSLREDIIVTE-CYBMUJFWSA-N 1 3 247.342 0.599 20 0 BCADHO CC1CC[NH+](CC(=O)N2CCN[C@H](C)C2)CC1 ZINC000189008208 357600600 /nfs/dbraw/zinc/60/06/00/357600600.db2.gz CPAYLWLZLJLGGS-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000232612098 357669630 /nfs/dbraw/zinc/66/96/30/357669630.db2.gz SCDXWYWPYSMRTI-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000232015900 357638001 /nfs/dbraw/zinc/63/80/01/357638001.db2.gz LQBUWMWOHOQPGB-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000232015900 357638004 /nfs/dbraw/zinc/63/80/04/357638004.db2.gz LQBUWMWOHOQPGB-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000192105894 357823074 /nfs/dbraw/zinc/82/30/74/357823074.db2.gz WANAKIFZQQNHHY-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399082183 357895848 /nfs/dbraw/zinc/89/58/48/357895848.db2.gz SJTNNHGZFJYXED-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399082183 357895850 /nfs/dbraw/zinc/89/58/50/357895850.db2.gz SJTNNHGZFJYXED-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@@H](N)C2CCC2)CC1 ZINC000399066174 357894451 /nfs/dbraw/zinc/89/44/51/357894451.db2.gz MKWAWGSVVRSTSH-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@H](N)C2CCC2)CC1 ZINC000399066170 357894547 /nfs/dbraw/zinc/89/45/47/357894547.db2.gz MKWAWGSVVRSTSH-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@@](C)(CO)[NH2+]CCCN1CCCCC1 ZINC000639958520 357984011 /nfs/dbraw/zinc/98/40/11/357984011.db2.gz UNXUPAGDHKYOIG-CYBMUJFWSA-N 1 3 244.379 0.849 20 0 BCADHO [NH3+]CCOCCN1CCS[C@@H]2COCC[C@H]21 ZINC000584474990 357991113 /nfs/dbraw/zinc/99/11/13/357991113.db2.gz PRKGYIYDSLUGPG-GHMZBOCLSA-N 1 3 246.376 0.168 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000334458325 491118898 /nfs/dbraw/zinc/11/88/98/491118898.db2.gz JVSMCMGEHPNNTC-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1C[C@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211799 358013151 /nfs/dbraw/zinc/01/31/51/358013151.db2.gz ZFXMCWKMKBOGJH-NWDGAFQWSA-N 1 3 241.379 0.594 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000219815520 358013696 /nfs/dbraw/zinc/01/36/96/358013696.db2.gz SJCAHVFPEPQXLA-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000584536753 358044929 /nfs/dbraw/zinc/04/49/29/358044929.db2.gz CUALPMOPHGFVCM-YZRBJQDESA-N 1 3 225.336 0.454 20 0 BCADHO C[C@H](N)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000168988058 134248847 /nfs/dbraw/zinc/24/88/47/134248847.db2.gz NOGCBHGGZVZUMA-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO CN(C(=O)CC[NH2+]C1CC1)C1CCN(C)CC1 ZINC000037611953 358083502 /nfs/dbraw/zinc/08/35/02/358083502.db2.gz QFSOZSUFIIDVDX-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1CN(C(=O)CNC2CC2)C[C@@]1(C)C[NH3+] ZINC000584828586 358193326 /nfs/dbraw/zinc/19/33/26/358193326.db2.gz FNMFSYORWVWEHA-BXKDBHETSA-N 1 3 225.336 0.182 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)CNC1CC1 ZINC000040807246 358246784 /nfs/dbraw/zinc/24/67/84/358246784.db2.gz IHWDZDLVOLWODZ-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO NC1(C(=O)NCCCC[NH3+])CCCCC1 ZINC000040832478 358246791 /nfs/dbraw/zinc/24/67/91/358246791.db2.gz UIMFUIMWWLPPAU-UHFFFAOYSA-N 1 3 213.325 0.503 20 0 BCADHO COC[C@H](C)C[N@@H+]1CCC[C@@H](CN)C1 ZINC000225713318 358331513 /nfs/dbraw/zinc/33/15/13/358331513.db2.gz AMIQBOVPCKCZJV-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@H](C)C[N@H+]1CCC[C@@H](CN)C1 ZINC000225713318 358331515 /nfs/dbraw/zinc/33/15/15/358331515.db2.gz AMIQBOVPCKCZJV-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@H](C)CN1CCC[C@@H](C[NH3+])C1 ZINC000225713318 358331517 /nfs/dbraw/zinc/33/15/17/358331517.db2.gz AMIQBOVPCKCZJV-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO Cn1ccc(CCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000227220677 358352601 /nfs/dbraw/zinc/35/26/01/358352601.db2.gz UIXBZIJRACGORU-JQWIXIFHSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1ccc(CC[NH2+][C@H]2CCC[C@H](N)C2)n1 ZINC000227220677 358352603 /nfs/dbraw/zinc/35/26/03/358352603.db2.gz UIXBZIJRACGORU-JQWIXIFHSA-N 1 3 222.336 0.822 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])N1CCCC1 ZINC000228621085 358382435 /nfs/dbraw/zinc/38/24/35/358382435.db2.gz IRHILZFQYKHCQM-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538896 358389392 /nfs/dbraw/zinc/38/93/92/358389392.db2.gz RWYFXNVGNQFAJG-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538896 358389394 /nfs/dbraw/zinc/38/93/94/358389394.db2.gz RWYFXNVGNQFAJG-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+]1CCC(CNC(=O)[C@H](N)C(C)C)CC1 ZINC000044526724 358390117 /nfs/dbraw/zinc/39/01/17/358390117.db2.gz SXNPZGJOEVKINX-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CO[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000230316191 358397555 /nfs/dbraw/zinc/39/75/55/358397555.db2.gz KJXZPWAMAMHHED-LBPRGKRZSA-N 1 3 227.352 0.002 20 0 BCADHO CN(C)Cc1cccc(C(=O)NCC[NH3+])c1 ZINC000212583519 358602935 /nfs/dbraw/zinc/60/29/35/358602935.db2.gz ZUPCYWFJXSAGLG-UHFFFAOYSA-N 1 3 221.304 0.437 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000129957638 358603022 /nfs/dbraw/zinc/60/30/22/358603022.db2.gz BKWOIULJLSIDFI-NWDGAFQWSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000129957638 358603024 /nfs/dbraw/zinc/60/30/24/358603024.db2.gz BKWOIULJLSIDFI-NWDGAFQWSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N(C)C ZINC000129957854 358603218 /nfs/dbraw/zinc/60/32/18/358603218.db2.gz BKWOIULJLSIDFI-VXGBXAGGSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000129957854 358603222 /nfs/dbraw/zinc/60/32/22/358603222.db2.gz BKWOIULJLSIDFI-VXGBXAGGSA-N 1 3 241.379 0.641 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559606 358694218 /nfs/dbraw/zinc/69/42/18/358694218.db2.gz IBSKSKJEBVLHKB-AXFHLTTASA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559667 358695293 /nfs/dbraw/zinc/69/52/93/358695293.db2.gz RJCWQZRYXUGVFG-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559669 358695333 /nfs/dbraw/zinc/69/53/33/358695333.db2.gz RJCWQZRYXUGVFG-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559773 358695358 /nfs/dbraw/zinc/69/53/58/358695358.db2.gz WOMORZQQZXYRNU-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559632 358695426 /nfs/dbraw/zinc/69/54/26/358695426.db2.gz XKPCFEPKSPLAQH-CMPLNLGQSA-N 1 3 229.368 0.960 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000131832999 358695873 /nfs/dbraw/zinc/69/58/73/358695873.db2.gz TZDXQZLDYPOZOJ-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000133783728 358767241 /nfs/dbraw/zinc/76/72/41/358767241.db2.gz JWYREZNXSUNHOW-GHMZBOCLSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H]1NCCN(C(=O)CCCC[NH3+])[C@@H]1C ZINC000309456056 358708556 /nfs/dbraw/zinc/70/85/56/358708556.db2.gz NSNFBNFADZMLJX-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000130183721 358738081 /nfs/dbraw/zinc/73/80/81/358738081.db2.gz FCHMZIVPZNAJNF-UWVGGRQHSA-N 1 3 243.376 0.031 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000132926894 358739228 /nfs/dbraw/zinc/73/92/28/358739228.db2.gz OUZCBRTVRAXPCX-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132974592 358741234 /nfs/dbraw/zinc/74/12/34/358741234.db2.gz MNCNNPRXMOZKPN-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132974592 358741238 /nfs/dbraw/zinc/74/12/38/358741238.db2.gz MNCNNPRXMOZKPN-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000578240108 366468334 /nfs/dbraw/zinc/46/83/34/366468334.db2.gz HOXJHKLGBVDTNR-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000578240108 366468339 /nfs/dbraw/zinc/46/83/39/366468339.db2.gz HOXJHKLGBVDTNR-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO COC(=O)CCN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061477 134297318 /nfs/dbraw/zinc/29/73/18/134297318.db2.gz VBGKKOWCYITOHQ-QWRGUYRKSA-N 1 3 228.336 0.964 20 0 BCADHO COC(=O)CCN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061477 134297319 /nfs/dbraw/zinc/29/73/19/134297319.db2.gz VBGKKOWCYITOHQ-QWRGUYRKSA-N 1 3 228.336 0.964 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCn2ccnc2)C1 ZINC000086403540 358967671 /nfs/dbraw/zinc/96/76/71/358967671.db2.gz KNBMMQXWCDCQTK-MNOVXSKESA-N 1 3 208.309 0.743 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930892 358921568 /nfs/dbraw/zinc/92/15/68/358921568.db2.gz RKMVJNPNUJUNJM-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CN(CCOCC[NH3+])C[C@@H](C)S1 ZINC000086435823 358976514 /nfs/dbraw/zinc/97/65/14/358976514.db2.gz XFGMRRKKCNYIJT-NXEZZACHSA-N 1 3 218.366 0.788 20 0 BCADHO C[NH2+]CCCC(=O)N1CCC[C@H]1CN(C)C ZINC000061645176 358936709 /nfs/dbraw/zinc/93/67/09/358936709.db2.gz UJUPVMNDVGDCQY-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(CCN(C)C)C1CC1 ZINC000572282741 359349612 /nfs/dbraw/zinc/34/96/12/359349612.db2.gz LPCSMSHKFVCYBJ-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCNC[C@H]1C ZINC000379529740 359536610 /nfs/dbraw/zinc/53/66/10/359536610.db2.gz IEBMLSOLHJNPML-MXWKQRLJSA-N 1 3 200.326 0.857 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454901 359616006 /nfs/dbraw/zinc/61/60/06/359616006.db2.gz SZUJMUSPYWWFGH-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454901 359616010 /nfs/dbraw/zinc/61/60/10/359616010.db2.gz SZUJMUSPYWWFGH-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C[C@H]1CSCCN1 ZINC000087471652 366583002 /nfs/dbraw/zinc/58/30/02/366583002.db2.gz ZLVUYWTWISYAFJ-JTQLQIEISA-N 1 3 245.392 0.149 20 0 BCADHO C[N@@H+]1CC[C@@H](NC2(CO)CC2)CC1(C)C ZINC000623471485 359876433 /nfs/dbraw/zinc/87/64/33/359876433.db2.gz AMUASDODXPIQFT-SNVBAGLBSA-N 1 3 212.337 0.974 20 0 BCADHO C[N@H+]1CC[C@@H](NC2(CO)CC2)CC1(C)C ZINC000623471485 359876438 /nfs/dbraw/zinc/87/64/38/359876438.db2.gz AMUASDODXPIQFT-SNVBAGLBSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H]1CCNC[C@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000578617010 366608961 /nfs/dbraw/zinc/60/89/61/366608961.db2.gz HYOOUIUCQDUYOS-FRRDWIJNSA-N 1 3 225.380 0.916 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000578868055 366662229 /nfs/dbraw/zinc/66/22/29/366662229.db2.gz OBDSILKYCFJVMO-AGIUHOORSA-N 1 3 241.379 0.376 20 0 BCADHO NCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000514864261 360416587 /nfs/dbraw/zinc/41/65/87/360416587.db2.gz ZVPSSUADLKLIBF-NSHDSACASA-N 1 3 221.304 0.542 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000626945046 360525231 /nfs/dbraw/zinc/52/52/31/360525231.db2.gz DTIBUZLWUWTFSK-HBNTYKKESA-N 1 3 240.351 0.130 20 0 BCADHO COC(=O)CCCCN1CC[C@@H](C[NH3+])C1 ZINC000238327100 360875377 /nfs/dbraw/zinc/87/53/77/360875377.db2.gz LOHFCTXXZSHACD-JTQLQIEISA-N 1 3 214.309 0.610 20 0 BCADHO COC(=O)CCCC[N@@H+]1CC[C@@H](CN)C1 ZINC000238327100 360875382 /nfs/dbraw/zinc/87/53/82/360875382.db2.gz LOHFCTXXZSHACD-JTQLQIEISA-N 1 3 214.309 0.610 20 0 BCADHO COC(=O)CCCC[N@H+]1CC[C@@H](CN)C1 ZINC000238327100 360875387 /nfs/dbraw/zinc/87/53/87/360875387.db2.gz LOHFCTXXZSHACD-JTQLQIEISA-N 1 3 214.309 0.610 20 0 BCADHO CCCn1cc(CNCCOCCC[NH3+])cn1 ZINC000629399475 361051130 /nfs/dbraw/zinc/05/11/30/361051130.db2.gz HMFHOXCYNNFLAO-UHFFFAOYSA-N 1 3 240.351 0.748 20 0 BCADHO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000629408895 361058193 /nfs/dbraw/zinc/05/81/93/361058193.db2.gz AXYINMFMNVBZLU-HBNTYKKESA-N 1 3 209.337 0.563 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424163061 200871765 /nfs/dbraw/zinc/87/17/65/200871765.db2.gz XGMZFSOLHOPRJJ-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCOC2CCOCC2)C1 ZINC000629519616 361119179 /nfs/dbraw/zinc/11/91/79/361119179.db2.gz DVLDIWJCWKBQBC-NEPJUHHUSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCOCC1 ZINC000629519628 361120006 /nfs/dbraw/zinc/12/00/06/361120006.db2.gz BXUDCDYUNCZCMY-WDEREUQCSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@H]1CN(C)C[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519628 361120008 /nfs/dbraw/zinc/12/00/08/361120008.db2.gz BXUDCDYUNCZCMY-WDEREUQCSA-N 1 3 227.352 0.034 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000361738907 181324025 /nfs/dbraw/zinc/32/40/25/181324025.db2.gz FYOFBDPWYAEAHR-SRVKXCTJSA-N 1 3 249.358 0.420 20 0 BCADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000368379798 181324228 /nfs/dbraw/zinc/32/42/28/181324228.db2.gz VJUUGPXUWFRGDS-VHSXEESVSA-N 1 3 223.320 0.078 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000361738907 181324029 /nfs/dbraw/zinc/32/40/29/181324029.db2.gz FYOFBDPWYAEAHR-SRVKXCTJSA-N 1 3 249.358 0.420 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOC1CCOCC1 ZINC000629516545 361115509 /nfs/dbraw/zinc/11/55/09/361115509.db2.gz JUOJRSAUIYVFKN-VXGBXAGGSA-N 1 3 242.363 0.851 20 0 BCADHO NC1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000366634185 181323864 /nfs/dbraw/zinc/32/38/64/181323864.db2.gz UVPVZEMIKJSDPH-WDEREUQCSA-N 1 3 237.347 0.468 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1cnn(C)c1 ZINC000629529175 361138803 /nfs/dbraw/zinc/13/88/03/361138803.db2.gz UOMIJQZTMYPPRX-JTQLQIEISA-N 1 3 226.324 0.307 20 0 BCADHO CCn1cc([C@@H](C)NCCOCC[NH2+]C)cn1 ZINC000629528958 361138903 /nfs/dbraw/zinc/13/89/03/361138903.db2.gz OAKGLSICXPTEEM-LLVKDONJSA-N 1 3 240.351 0.790 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1cn[nH]c1 ZINC000629530747 361145847 /nfs/dbraw/zinc/14/58/47/361145847.db2.gz PWUPAQCMBPMUDY-VIFPVBQESA-N 1 3 212.297 0.296 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1ccccn1 ZINC000629529921 361146487 /nfs/dbraw/zinc/14/64/87/361146487.db2.gz QMCRWWFGDCEELL-LLVKDONJSA-N 1 3 223.320 0.968 20 0 BCADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523582 361122184 /nfs/dbraw/zinc/12/21/84/361122184.db2.gz HVHGGWZCTSUZIM-NAKRPEOUSA-N 1 3 225.336 0.228 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525029 361126066 /nfs/dbraw/zinc/12/60/66/361126066.db2.gz XZRNURBBYMQLGV-GWOFURMSSA-N 1 3 225.336 0.357 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CN(C)C[C@@H]1C ZINC000629525737 361127155 /nfs/dbraw/zinc/12/71/55/361127155.db2.gz AIQMHOOTUJQKIP-YFKTTZPYSA-N 1 3 211.353 0.667 20 0 BCADHO NC1(C(=O)NCC2=CC[NH2+]CC2)CCCCC1 ZINC000336351117 181325964 /nfs/dbraw/zinc/32/59/64/181325964.db2.gz SGBGLDLMXHRTSG-UHFFFAOYSA-N 1 3 237.347 0.684 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000579006076 366694288 /nfs/dbraw/zinc/69/42/88/366694288.db2.gz DQWSZGFKYSHHRH-YPMHNXCESA-N 1 3 249.358 0.973 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC000579004871 366692698 /nfs/dbraw/zinc/69/26/98/366692698.db2.gz SWOCIGTTZQJVCX-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO O[C@@]12C[C@@H]1C[N@H+](CCCN1CCCCC1)C2 ZINC000640482995 361258053 /nfs/dbraw/zinc/25/80/53/361258053.db2.gz UINGQJFVUOTFOW-CHWSQXEVSA-N 1 3 224.348 0.929 20 0 BCADHO O[C@@]12C[C@@H]1C[N@@H+](CCCN1CCCCC1)C2 ZINC000640482995 361258056 /nfs/dbraw/zinc/25/80/56/361258056.db2.gz UINGQJFVUOTFOW-CHWSQXEVSA-N 1 3 224.348 0.929 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000579006075 366693947 /nfs/dbraw/zinc/69/39/47/366693947.db2.gz DQWSZGFKYSHHRH-WCQYABFASA-N 1 3 249.358 0.973 20 0 BCADHO CNC(=O)CCCN1CC[C@H](C[NH+](C)C)C1 ZINC000579070086 366703406 /nfs/dbraw/zinc/70/34/06/366703406.db2.gz TZVPTLQFQKZBKU-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO NC1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000368644349 181328264 /nfs/dbraw/zinc/32/82/64/181328264.db2.gz CVWSPJWORUPDER-JTQLQIEISA-N 1 3 237.347 0.516 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N(CC)CC ZINC000428378308 201011056 /nfs/dbraw/zinc/01/10/56/201011056.db2.gz UMVOBXWRSIQFIK-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](N)C1CCC1 ZINC000579228978 366739807 /nfs/dbraw/zinc/73/98/07/366739807.db2.gz UBZFMZNGVFACLK-YWVKMMECSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H](C)c1cnccc1N ZINC000622044967 370674129 /nfs/dbraw/zinc/67/41/29/370674129.db2.gz YXDBVQKZFGSQQC-IUCAKERBSA-N 1 3 208.309 0.882 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428957087 201052321 /nfs/dbraw/zinc/05/23/21/201052321.db2.gz ZTVBPMIYZOVXAL-YFKTTZPYSA-N 1 3 241.379 0.864 20 0 BCADHO CCCN(C)CC(=O)NCC[NH+](C)C ZINC000428966488 201055771 /nfs/dbraw/zinc/05/57/71/201055771.db2.gz KJNGSTIWKVHTBY-UHFFFAOYSA-N 1 3 201.314 0.006 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428975276 201056155 /nfs/dbraw/zinc/05/61/55/201056155.db2.gz HENVMAJQPWKKOZ-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000429167625 201073415 /nfs/dbraw/zinc/07/34/15/201073415.db2.gz YQRPDQRAKPQQSN-IJLUTSLNSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]([NH3+])CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429030689 201060468 /nfs/dbraw/zinc/06/04/68/201060468.db2.gz RVPQVZXHTBYWED-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000429030687 201060890 /nfs/dbraw/zinc/06/08/90/201060890.db2.gz RVPQVZXHTBYWED-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)N(CC)CC ZINC000429066301 201066760 /nfs/dbraw/zinc/06/67/60/201066760.db2.gz SRKLGVCIBXFVAE-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000429085519 201067060 /nfs/dbraw/zinc/06/70/60/201067060.db2.gz ZNONNEOFXVWFCN-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N(C)C ZINC000429176653 201077618 /nfs/dbraw/zinc/07/76/18/201077618.db2.gz YPLNIDAUQULIJF-GRYCIOLGSA-N 1 3 241.379 0.768 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429189621 201078061 /nfs/dbraw/zinc/07/80/61/201078061.db2.gz CLKJHOKHHVAMDN-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429189007 201078459 /nfs/dbraw/zinc/07/84/59/201078459.db2.gz ATRJMORIIAZFKA-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+]C ZINC000429233207 201079990 /nfs/dbraw/zinc/07/99/90/201079990.db2.gz CUBIDZXGXQSUNR-SNVBAGLBSA-N 1 3 215.341 0.300 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000429454395 201109008 /nfs/dbraw/zinc/10/90/08/201109008.db2.gz TXKZJABWEKOZMS-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000429468799 201110435 /nfs/dbraw/zinc/11/04/35/201110435.db2.gz LGBRJHWOMPWBOZ-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H](NCCOCCC[NH3+])c1ccnn1C ZINC000629538405 361403862 /nfs/dbraw/zinc/40/38/62/361403862.db2.gz MPPCPECUBZLXLI-SNVBAGLBSA-N 1 3 226.324 0.436 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429552117 201115675 /nfs/dbraw/zinc/11/56/75/201115675.db2.gz IALWHJAWVRJFPM-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)N(CC)CC ZINC000429557920 201116137 /nfs/dbraw/zinc/11/61/37/201116137.db2.gz DDPUOSSTCVVWFV-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000579471825 366819623 /nfs/dbraw/zinc/81/96/23/366819623.db2.gz ASEDCELMLNXHDK-QJPTWQEYSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000579475083 366822259 /nfs/dbraw/zinc/82/22/59/366822259.db2.gz IXTHELQBNZRDJM-VIFPVBQESA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[NH2+]1 ZINC000579475696 366823619 /nfs/dbraw/zinc/82/36/19/366823619.db2.gz GKPLALQYHAEVBD-OPRDCNLKSA-N 1 3 227.352 0.617 20 0 BCADHO CN(CCN[C@@H]1CCC[C@H]1[NH3+])CC(F)F ZINC000629555955 361449244 /nfs/dbraw/zinc/44/92/44/361449244.db2.gz JTIMRAPPSGDLQV-RKDXNWHRSA-N 1 3 221.295 0.653 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@@H]1CCCN1C ZINC000629551156 361444072 /nfs/dbraw/zinc/44/40/72/361444072.db2.gz RRVPKEYWBUVIMU-WUHRBBMRSA-N 1 3 241.379 0.423 20 0 BCADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)C1 ZINC000629554665 361444357 /nfs/dbraw/zinc/44/43/57/361444357.db2.gz MPTWSHVVEIRPEV-UJPOAAIJSA-N 1 3 242.363 0.753 20 0 BCADHO C[NH2+]CCOCCN(C)CCOC(C)C ZINC000629568368 361460676 /nfs/dbraw/zinc/46/06/76/361460676.db2.gz UGAXUIFDNZLXQF-UHFFFAOYSA-N 1 3 218.341 0.579 20 0 BCADHO C[NH2+]CCOCCN(C)CCn1cccn1 ZINC000629569752 361461803 /nfs/dbraw/zinc/46/18/03/361461803.db2.gz FFJHWSVUQCXDPI-UHFFFAOYSA-N 1 3 226.324 0.051 20 0 BCADHO Cc1noc(CCCN(C)CCOCC[NH3+])n1 ZINC000629577804 361467342 /nfs/dbraw/zinc/46/73/42/361467342.db2.gz JGTZDGGMIREMGI-UHFFFAOYSA-N 1 3 242.323 0.218 20 0 BCADHO CCn1cc(CCN(C)CCOCC[NH3+])cn1 ZINC000629581342 361470882 /nfs/dbraw/zinc/47/08/82/361470882.db2.gz WTERVVCJEDBSQO-UHFFFAOYSA-N 1 3 240.351 0.353 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C)C1)N(C)C ZINC000629612339 361498241 /nfs/dbraw/zinc/49/82/41/361498241.db2.gz CSKMZXNTKARYLD-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)N(C)C ZINC000629612702 361498794 /nfs/dbraw/zinc/49/87/94/361498794.db2.gz GKFSNMJRNAZIOM-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000629612586 361499040 /nfs/dbraw/zinc/49/90/40/361499040.db2.gz DQNYEWCWYQKUHL-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH2+]C(C)C)N(C)C ZINC000629612631 361499373 /nfs/dbraw/zinc/49/93/73/361499373.db2.gz FYFCXMXDBSIHFQ-NSHDSACASA-N 1 3 229.368 0.831 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](CC)N(C)C ZINC000629611718 361501486 /nfs/dbraw/zinc/50/14/86/361501486.db2.gz BZDBHOOKCYHYNU-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C(=O)NCCC[NH2+]C)N(C)C ZINC000629611297 361501812 /nfs/dbraw/zinc/50/18/12/361501812.db2.gz QYUNTZORPWVVBG-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@H](C(=O)NCC1(C)CC[NH2+]CC1)N(C)C ZINC000629611741 361501884 /nfs/dbraw/zinc/50/18/84/361501884.db2.gz DJHADWZRZVIRBH-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CO[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629614667 361503525 /nfs/dbraw/zinc/50/35/25/361503525.db2.gz BHXHYJPWRNSUMI-IJLUTSLNSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N(C)C ZINC000629615385 361504109 /nfs/dbraw/zinc/50/41/09/361504109.db2.gz OMKTULVUTOZJSH-GRYCIOLGSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)N(C)C ZINC000629613748 361507585 /nfs/dbraw/zinc/50/75/85/361507585.db2.gz SAZQKOFLEAVCAW-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N(C)C ZINC000629613639 361508133 /nfs/dbraw/zinc/50/81/33/361508133.db2.gz PZUXJAVEPJMLJU-LOWVWBTDSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCN1C(=O)CCC1=O ZINC000433501693 201187212 /nfs/dbraw/zinc/18/72/12/201187212.db2.gz GBLNHUKAHVYDGR-LBPRGKRZSA-N 1 3 241.335 0.098 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000629612267 361497763 /nfs/dbraw/zinc/49/77/63/361497763.db2.gz ZWBZDJPTFNZDSF-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO CCOC1CC(CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000309956856 491158849 /nfs/dbraw/zinc/15/88/49/491158849.db2.gz IREBULJTTNPAII-QZQSVVMZSA-N 1 3 224.348 0.953 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NCC1=CCCOC1 ZINC000379739502 361574482 /nfs/dbraw/zinc/57/44/82/361574482.db2.gz ZNQBGXOPSDHICA-JQWIXIFHSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@H]1CNCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000379739502 361574489 /nfs/dbraw/zinc/57/44/89/361574489.db2.gz ZNQBGXOPSDHICA-JQWIXIFHSA-N 1 3 210.321 0.921 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C[C@H]1CSCCN1 ZINC000434858636 201243403 /nfs/dbraw/zinc/24/34/03/201243403.db2.gz APQUTIPHXURVGP-UWVGGRQHSA-N 1 3 245.392 0.181 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H](C)N1 ZINC000153798763 201249727 /nfs/dbraw/zinc/24/97/27/201249727.db2.gz KVZSSWXBTSTQAQ-OPRDCNLKSA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)N1 ZINC000153798649 201249875 /nfs/dbraw/zinc/24/98/75/201249875.db2.gz KVZSSWXBTSTQAQ-LPEHRKFASA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000434697414 201233178 /nfs/dbraw/zinc/23/31/78/201233178.db2.gz ONEBIJKOORCXIB-JBLDHEPKSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000434712115 201235677 /nfs/dbraw/zinc/23/56/77/201235677.db2.gz UEDDKRYXIAPOLE-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000434712115 201235680 /nfs/dbraw/zinc/23/56/80/201235680.db2.gz UEDDKRYXIAPOLE-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000434712115 201235683 /nfs/dbraw/zinc/23/56/83/201235683.db2.gz UEDDKRYXIAPOLE-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000154234920 201270190 /nfs/dbraw/zinc/27/01/90/201270190.db2.gz NSWYNXPHBZHRKT-DCAQKATOSA-N 1 3 227.352 0.569 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000154618881 201285263 /nfs/dbraw/zinc/28/52/63/201285263.db2.gz JMJYSXAICQQBOT-MNOVXSKESA-N 1 3 229.368 0.544 20 0 BCADHO C[C@H]1NCC[N@H+](CCCN2CCOCC2)[C@H]1C ZINC000436067723 201308888 /nfs/dbraw/zinc/30/88/88/201308888.db2.gz URUGZSTUVVICNG-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@H]1NCC[N@@H+](CCCN2CCOCC2)[C@H]1C ZINC000436067723 201308891 /nfs/dbraw/zinc/30/88/91/201308891.db2.gz URUGZSTUVVICNG-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000627244727 363848320 /nfs/dbraw/zinc/84/83/20/363848320.db2.gz GTNOZCAPTZJRTJ-XWLWVQCSSA-N 1 3 240.351 0.129 20 0 BCADHO O=C(c1ccc2c(c1)CNC2)N1CCC[NH2+]CC1 ZINC000131016959 370734077 /nfs/dbraw/zinc/73/40/77/370734077.db2.gz NDFOAVAFRWWFHY-UHFFFAOYSA-N 1 3 245.326 0.725 20 0 BCADHO CC[C@@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604507 364328739 /nfs/dbraw/zinc/32/87/39/364328739.db2.gz AQZRBWPOVWFXPU-RKDXNWHRSA-N 1 3 209.297 0.440 20 0 BCADHO CC[C@@](C)(N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604485 364328854 /nfs/dbraw/zinc/32/88/54/364328854.db2.gz ALRSSPWUMSMGEW-GXSJLCMTSA-N 1 3 223.324 0.614 20 0 BCADHO c1c(CCN2CCCCC2)nnn1CC1C[NH2+]C1 ZINC000630613164 364342676 /nfs/dbraw/zinc/34/26/76/364342676.db2.gz IWARQVHNNDMYEO-UHFFFAOYSA-N 1 3 249.362 0.526 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CCCN1CCCC1 ZINC000135818464 364450595 /nfs/dbraw/zinc/45/05/95/364450595.db2.gz OIMQRSPTMPPUJD-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H](CC(N)=O)NCCC[NH+]1CCCC1 ZINC000135818464 364450597 /nfs/dbraw/zinc/45/05/97/364450597.db2.gz OIMQRSPTMPPUJD-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)N(C)C ZINC000615314880 364687651 /nfs/dbraw/zinc/68/76/51/364687651.db2.gz QARFTAWPPWQJPS-QJPTWQEYSA-N 1 3 241.379 0.878 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615310748 364685419 /nfs/dbraw/zinc/68/54/19/364685419.db2.gz XUXYPARZLJGXNB-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000573321851 364797958 /nfs/dbraw/zinc/79/79/58/364797958.db2.gz AIUUJWRPSYIMHR-GUBZILKMSA-N 1 3 230.356 0.362 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@H](N)CC(F)F ZINC000573442618 364833488 /nfs/dbraw/zinc/83/34/88/364833488.db2.gz MFVLQUFXOUNPDG-SSDOTTSWSA-N 1 3 237.294 0.473 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573562648 364861841 /nfs/dbraw/zinc/86/18/41/364861841.db2.gz AGTILRWZKHFUMX-MMWGEVLESA-N 1 3 225.336 0.310 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573562646 364862123 /nfs/dbraw/zinc/86/21/23/364862123.db2.gz AGTILRWZKHFUMX-LNFKQOIKSA-N 1 3 225.336 0.310 20 0 BCADHO CN(C(=O)C1CCN(C)CC1)[C@@H](C[NH3+])C1CC1 ZINC000573682795 364892672 /nfs/dbraw/zinc/89/26/72/364892672.db2.gz ZDTIMLNPHMYSHC-LBPRGKRZSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H](CCS(C)(=O)=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000573862043 364933741 /nfs/dbraw/zinc/93/37/41/364933741.db2.gz CAFJLQOAXKPNJN-VWYCJHECSA-N 1 3 248.392 0.669 20 0 BCADHO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000573862043 364933747 /nfs/dbraw/zinc/93/37/47/364933747.db2.gz CAFJLQOAXKPNJN-VWYCJHECSA-N 1 3 248.392 0.669 20 0 BCADHO CN[C@@H](C)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000573934040 364950829 /nfs/dbraw/zinc/95/08/29/364950829.db2.gz MKZNOGVHUIUBEO-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CCN1C ZINC000573962619 364954810 /nfs/dbraw/zinc/95/48/10/364954810.db2.gz LYHRFDBTUFYFGP-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000574038398 364972877 /nfs/dbraw/zinc/97/28/77/364972877.db2.gz COGYRUHUXBZZOV-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000574281929 365027668 /nfs/dbraw/zinc/02/76/68/365027668.db2.gz YZYWPXZIPVMLGK-YFKTTZPYSA-N 1 3 239.363 0.665 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000574755970 365136343 /nfs/dbraw/zinc/13/63/43/365136343.db2.gz CGHYNASWJOUYJG-VHSXEESVSA-N 1 3 245.392 0.183 20 0 BCADHO NCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000044365011 181396403 /nfs/dbraw/zinc/39/64/03/181396403.db2.gz XKFQWRBTGQQPEP-AWEZNQCLSA-N 1 3 233.359 0.852 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000574861918 365160330 /nfs/dbraw/zinc/16/03/30/365160330.db2.gz NGLJKVQCBPEVKT-NXEZZACHSA-N 1 3 213.325 0.357 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000575173563 365227485 /nfs/dbraw/zinc/22/74/85/365227485.db2.gz BOPZJXMEFIINHB-WRWGMCAJSA-N 1 3 237.347 0.324 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000157751549 193023179 /nfs/dbraw/zinc/02/31/79/193023179.db2.gz BVHONIOSPQITJS-WOPDTQHZSA-N 1 3 241.379 0.816 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000157806016 193027848 /nfs/dbraw/zinc/02/78/48/193027848.db2.gz LNDHMYNZXRPDNJ-DCAQKATOSA-N 1 3 225.336 0.372 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000659299187 541455359 /nfs/dbraw/zinc/45/53/59/541455359.db2.gz GEACWRRAANXGDN-SNVBAGLBSA-N 1 3 237.347 0.468 20 0 BCADHO CN1CCC(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444172992 193039267 /nfs/dbraw/zinc/03/92/67/193039267.db2.gz YKHOBTOQBKAGIF-DGCLKSJQSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCC[C@@H]1C ZINC000444180231 193039675 /nfs/dbraw/zinc/03/96/75/193039675.db2.gz HDBWDEWVJIQZOX-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN2CCC[C@H]2C1 ZINC000444168554 193040285 /nfs/dbraw/zinc/04/02/85/193040285.db2.gz PCSQAVOPNWGIFV-OBJOEFQTSA-N 1 3 249.358 0.293 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000444172994 193040479 /nfs/dbraw/zinc/04/04/79/193040479.db2.gz YKHOBTOQBKAGIF-WCQYABFASA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444188195 193041838 /nfs/dbraw/zinc/04/18/38/193041838.db2.gz UJDKMVHJNLJKOD-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000575869627 365396449 /nfs/dbraw/zinc/39/64/49/365396449.db2.gz DTBUWLWSAXOFJN-YWVKMMECSA-N 1 3 215.341 0.746 20 0 BCADHO CC(C)(N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000579829498 367035422 /nfs/dbraw/zinc/03/54/22/367035422.db2.gz NOUHLYHMBXXWCC-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000579961776 367103688 /nfs/dbraw/zinc/10/36/88/367103688.db2.gz QOGJVHSMZZBNGD-RKDXNWHRSA-N 1 3 247.289 0.322 20 0 BCADHO C[C@@H](NC(=O)[C@@H](CN)c1ccccc1)[C@H](C)[NH3+] ZINC000580832914 367180630 /nfs/dbraw/zinc/18/06/30/367180630.db2.gz KKNBMDCSHCTYOG-UMNHJUIQSA-N 1 3 235.331 0.581 20 0 BCADHO CC(C)C[N@@H+]1CCC[C@H](CNCCC(N)=O)C1 ZINC000581126897 367269590 /nfs/dbraw/zinc/26/95/90/367269590.db2.gz FXEXJDRHGOEKIZ-GFCCVEGCSA-N 1 3 241.379 0.819 20 0 BCADHO CC(C)C[N@H+]1CCC[C@H](CNCCC(N)=O)C1 ZINC000581126897 367269598 /nfs/dbraw/zinc/26/95/98/367269598.db2.gz FXEXJDRHGOEKIZ-GFCCVEGCSA-N 1 3 241.379 0.819 20 0 BCADHO CC(C)CN1CCC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000581126897 367269606 /nfs/dbraw/zinc/26/96/06/367269606.db2.gz FXEXJDRHGOEKIZ-GFCCVEGCSA-N 1 3 241.379 0.819 20 0 BCADHO NC1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC1 ZINC000581071193 367252801 /nfs/dbraw/zinc/25/28/01/367252801.db2.gz MOKDMJBHPPTXBV-SECBINFHSA-N 1 3 211.309 0.065 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000381250849 367370613 /nfs/dbraw/zinc/37/06/13/367370613.db2.gz PJCVOQKOBWHTTC-SECBINFHSA-N 1 3 215.341 0.474 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000381712139 367449640 /nfs/dbraw/zinc/44/96/40/367449640.db2.gz KLHWWMNGHHVGFE-ONGXEEELSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381784995 367458052 /nfs/dbraw/zinc/45/80/52/367458052.db2.gz YQELTNROUAZZPB-BBBLOLIVSA-N 1 3 213.325 0.310 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382555816 367538874 /nfs/dbraw/zinc/53/88/74/367538874.db2.gz JOPWTJZSYKEBCR-HBNTYKKESA-N 1 3 216.325 0.243 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](C)NC1CC1 ZINC000382914293 367567465 /nfs/dbraw/zinc/56/74/65/367567465.db2.gz APGANTJQVCSDPA-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](C)NC1CC1 ZINC000382914293 367567470 /nfs/dbraw/zinc/56/74/70/367567470.db2.gz APGANTJQVCSDPA-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382948425 367571973 /nfs/dbraw/zinc/57/19/73/367571973.db2.gz KXSZEPAIOXJXKW-SNVBAGLBSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382948425 367571976 /nfs/dbraw/zinc/57/19/76/367571976.db2.gz KXSZEPAIOXJXKW-SNVBAGLBSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000382976440 367578425 /nfs/dbraw/zinc/57/84/25/367578425.db2.gz SPOYODNJHOZELX-SCVCMEIPSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000382976440 367578430 /nfs/dbraw/zinc/57/84/30/367578430.db2.gz SPOYODNJHOZELX-SCVCMEIPSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000382976434 367578618 /nfs/dbraw/zinc/57/86/18/367578618.db2.gz SPOYODNJHOZELX-JFGNBEQYSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000382976434 367578628 /nfs/dbraw/zinc/57/86/28/367578628.db2.gz SPOYODNJHOZELX-JFGNBEQYSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NCCN(C)C1CC1 ZINC000383203755 367607273 /nfs/dbraw/zinc/60/72/73/367607273.db2.gz XLWIDRNFXMRHMP-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO C[N@H+](C[C@@H](O)CNC[C@@]1(C)CCCO1)C1CC1 ZINC000383487964 367627015 /nfs/dbraw/zinc/62/70/15/367627015.db2.gz AHLJBIZXAAUJLM-QWHCGFSZSA-N 1 3 242.363 0.600 20 0 BCADHO C[N@@H+](C[C@@H](O)CNC[C@@]1(C)CCCO1)C1CC1 ZINC000383487964 367627019 /nfs/dbraw/zinc/62/70/19/367627019.db2.gz AHLJBIZXAAUJLM-QWHCGFSZSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)NC1CC1)[NH+](C)C ZINC000383359387 367616345 /nfs/dbraw/zinc/61/63/45/367616345.db2.gz MZMAQVXOTYVYIU-RKDXNWHRSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000581887140 367878295 /nfs/dbraw/zinc/87/82/95/367878295.db2.gz FXNYITFFBMHSPI-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000581887140 367878299 /nfs/dbraw/zinc/87/82/99/367878299.db2.gz FXNYITFFBMHSPI-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO C[N@H+](C[C@@H](O)CNCCc1cccnc1)C1CC1 ZINC000386123806 367915624 /nfs/dbraw/zinc/91/56/24/367915624.db2.gz MXLXIYXSWWLCOE-AWEZNQCLSA-N 1 3 249.358 0.669 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCCc1cccnc1)C1CC1 ZINC000386123806 367915630 /nfs/dbraw/zinc/91/56/30/367915630.db2.gz MXLXIYXSWWLCOE-AWEZNQCLSA-N 1 3 249.358 0.669 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@H](CN)OC)cc1 ZINC000566250990 326024845 /nfs/dbraw/zinc/02/48/45/326024845.db2.gz NNEPMQAAZUHDBX-NSHDSACASA-N 1 3 237.303 0.318 20 0 BCADHO COC[C@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)OC ZINC000386539618 367988589 /nfs/dbraw/zinc/98/85/89/367988589.db2.gz CWQZUZILKJPMAU-SDDRHHMPSA-N 1 3 230.352 0.768 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1COCCO1)[C@H]1CCCCN1 ZINC000386561382 367992463 /nfs/dbraw/zinc/99/24/63/367992463.db2.gz JDQQBVMYAYVZEV-QJPTWQEYSA-N 1 3 228.336 0.522 20 0 BCADHO CCCN(C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510497 368083891 /nfs/dbraw/zinc/08/38/91/368083891.db2.gz KRMQTZIVWGHOJC-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO CN(C)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056525372 368471059 /nfs/dbraw/zinc/47/10/59/368471059.db2.gz DRFIWRZALRTSGJ-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)C[NH+]1CCCC1 ZINC000062082711 368574023 /nfs/dbraw/zinc/57/40/23/368574023.db2.gz HMAAGVFCXYUENZ-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000082261716 368662231 /nfs/dbraw/zinc/66/22/31/368662231.db2.gz QCEHRAZRCCNFII-CYBMUJFWSA-N 1 3 247.342 0.506 20 0 BCADHO C[C@H]1CCN(C(=O)C(C)(C)N)[C@@H](C)[C@H]1[NH3+] ZINC000457368474 203047512 /nfs/dbraw/zinc/04/75/12/203047512.db2.gz ZGRCYHNLFJXNKD-CIUDSAMLSA-N 1 3 213.325 0.308 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)[NH3+])N1CCCC1 ZINC000083883706 368833424 /nfs/dbraw/zinc/83/34/24/368833424.db2.gz KIOWABPSVDDTOT-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086402287 368879548 /nfs/dbraw/zinc/87/95/48/368879548.db2.gz JGWFZNCBHXXDBG-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000087619776 368895633 /nfs/dbraw/zinc/89/56/33/368895633.db2.gz ZBIXSFIHNFYITI-CYBMUJFWSA-N 1 3 247.342 0.551 20 0 BCADHO CCN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000084384574 368853268 /nfs/dbraw/zinc/85/32/68/368853268.db2.gz SFYDZIZYWAJHJW-LBPRGKRZSA-N 1 3 211.353 0.624 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000091395031 369011765 /nfs/dbraw/zinc/01/17/65/369011765.db2.gz ZTZJYYQOXXGQCS-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO N[C@@H]1CCCCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631835434 369043455 /nfs/dbraw/zinc/04/34/55/369043455.db2.gz UUSKAIQIAMKSBK-NEPJUHHUSA-N 1 3 249.362 0.969 20 0 BCADHO N[C@@H]1CCCCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631835434 369043460 /nfs/dbraw/zinc/04/34/60/369043460.db2.gz UUSKAIQIAMKSBK-NEPJUHHUSA-N 1 3 249.362 0.969 20 0 BCADHO C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837273 369095555 /nfs/dbraw/zinc/09/55/55/369095555.db2.gz QMBRGXJYFHNQBJ-WISYIIOYSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631837273 369095557 /nfs/dbraw/zinc/09/55/57/369095557.db2.gz QMBRGXJYFHNQBJ-WISYIIOYSA-N 1 3 212.337 0.938 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567383452 326180150 /nfs/dbraw/zinc/18/01/50/326180150.db2.gz AGXPSBIKCDBZMN-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCC[C@H](NC(=O)NCCC[NH+](C)C)C1 ZINC000618546841 369168560 /nfs/dbraw/zinc/16/85/60/369168560.db2.gz ILMZESCBKHPMKZ-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631840880 369311973 /nfs/dbraw/zinc/31/19/73/369311973.db2.gz VSCOAATYTSFOGK-UPJWGTAASA-N 1 3 242.363 0.709 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1CN(C)C ZINC000404969930 369440854 /nfs/dbraw/zinc/44/08/54/369440854.db2.gz KMQCNHPCLUTCIU-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]1C[C@H](NCCN2CCCC2=O)CC[N@@H+]1C ZINC000405427172 369459491 /nfs/dbraw/zinc/45/94/91/369459491.db2.gz HWZJCMGKDWSAPI-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1C[C@H](NCCN2CCCC2=O)CC[N@H+]1C ZINC000405427172 369459494 /nfs/dbraw/zinc/45/94/94/369459494.db2.gz HWZJCMGKDWSAPI-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1C[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861870 369473487 /nfs/dbraw/zinc/47/34/87/369473487.db2.gz JILQHMGOJZPJRM-QWRGUYRKSA-N 1 3 212.337 0.689 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000165607316 203385938 /nfs/dbraw/zinc/38/59/38/203385938.db2.gz UTNIQXVXUMCKLF-GHMZBOCLSA-N 1 3 241.379 0.816 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000620902976 370050850 /nfs/dbraw/zinc/05/08/50/370050850.db2.gz DKRQUWAOMSSXKM-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](C(=O)N1CCN2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000253176743 370155970 /nfs/dbraw/zinc/15/59/70/370155970.db2.gz QAKWGDWYLJOSCB-JQWIXIFHSA-N 1 3 237.347 0.149 20 0 BCADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH+](C)C)C1 ZINC000568208102 326326278 /nfs/dbraw/zinc/32/62/78/326326278.db2.gz VAIYECHIVKYXLW-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCCC[NH3+] ZINC000309760654 370255959 /nfs/dbraw/zinc/25/59/59/370255959.db2.gz IPQBNYLMVMUKTF-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1CN(C(=O)CC[NH2+]C2CC2)[C@@H](C)CN1 ZINC000568230979 326328743 /nfs/dbraw/zinc/32/87/43/326328743.db2.gz IZBRUTSXNSYZBK-UWVGGRQHSA-N 1 3 225.336 0.337 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568247903 326334377 /nfs/dbraw/zinc/33/43/77/326334377.db2.gz AIWMRGFVJHFQJW-VPOLOUISSA-N 1 3 214.309 0.260 20 0 BCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000621685348 370435869 /nfs/dbraw/zinc/43/58/69/370435869.db2.gz CUGGFKHRARXNLR-NTZNESFSSA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCCC1 ZINC000621684327 370433598 /nfs/dbraw/zinc/43/35/98/370433598.db2.gz KSEWUXQBNJFMNK-GXFFZTMASA-N 1 3 237.347 0.598 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000568271026 326338368 /nfs/dbraw/zinc/33/83/68/326338368.db2.gz QUQUZFOWQQHESZ-RNFRBKRXSA-N 1 3 237.294 0.459 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684354 370434911 /nfs/dbraw/zinc/43/49/11/370434911.db2.gz KWWXTUBWLCNGCV-ZPFDUUQYSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684386 370434995 /nfs/dbraw/zinc/43/49/95/370434995.db2.gz LSQZKWTTYFNFBS-CKYFFXLPSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621693575 370441642 /nfs/dbraw/zinc/44/16/42/370441642.db2.gz YDWKPPNDACBFIF-AAEUAGOBSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621686664 370436951 /nfs/dbraw/zinc/43/69/51/370436951.db2.gz WSBYPNBNJHLYFG-WXHSDQCUSA-N 1 3 239.363 0.844 20 0 BCADHO CCN1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000621837680 370557203 /nfs/dbraw/zinc/55/72/03/370557203.db2.gz NPXDSIPEEGIHAK-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO [NH3+][C@]12CCC[C@H]1CN(C[C@@H]1CCOC1)C2 ZINC000621782504 370532378 /nfs/dbraw/zinc/53/23/78/370532378.db2.gz PVTNDFCIIWNMTK-SRVKXCTJSA-N 1 3 210.321 0.836 20 0 BCADHO COC[C@@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000568754173 326375301 /nfs/dbraw/zinc/37/53/01/326375301.db2.gz FADXMGILWHBKCN-ZDUSSCGKSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000569004614 326386508 /nfs/dbraw/zinc/38/65/08/326386508.db2.gz HZSIJAIVKOWWTD-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO N[C@@H](CC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806639 181537979 /nfs/dbraw/zinc/53/79/79/181537979.db2.gz QBRLMMLIUSETGG-OLZOCXBDSA-N 1 3 247.342 0.945 20 0 BCADHO C[N@H+](C[C@@H]1CCc2ncnn21)C1CCNCC1 ZINC000631820875 372593078 /nfs/dbraw/zinc/59/30/78/372593078.db2.gz IWPQOQXIYXUWIH-NSHDSACASA-N 1 3 235.335 0.449 20 0 BCADHO C[N@@H+](C[C@@H]1CCc2ncnn21)C1CCNCC1 ZINC000631820875 372593082 /nfs/dbraw/zinc/59/30/82/372593082.db2.gz IWPQOQXIYXUWIH-NSHDSACASA-N 1 3 235.335 0.449 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000631827405 372607761 /nfs/dbraw/zinc/60/77/61/372607761.db2.gz NSAQHQKOXBTBCH-WDEREUQCSA-N 1 3 249.362 0.743 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC[C@@H]1CCc2ncnn21 ZINC000631827405 372607763 /nfs/dbraw/zinc/60/77/63/372607763.db2.gz NSAQHQKOXBTBCH-WDEREUQCSA-N 1 3 249.362 0.743 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827402 372607768 /nfs/dbraw/zinc/60/77/68/372607768.db2.gz NSAQHQKOXBTBCH-GHMZBOCLSA-N 1 3 249.362 0.743 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC[C@H]1CCc2ncnn21 ZINC000631827402 372607771 /nfs/dbraw/zinc/60/77/71/372607771.db2.gz NSAQHQKOXBTBCH-GHMZBOCLSA-N 1 3 249.362 0.743 20 0 BCADHO C[C@@H]1CCN(C[C@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828843 372608936 /nfs/dbraw/zinc/60/89/36/372608936.db2.gz ZUIAANGCMZJLGM-IJLUTSLNSA-N 1 3 249.362 0.682 20 0 BCADHO C[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828845 372611370 /nfs/dbraw/zinc/61/13/70/372611370.db2.gz ZUIAANGCMZJLGM-WOPDTQHZSA-N 1 3 249.362 0.682 20 0 BCADHO C[C@H]1OCC[C@@H]1CN1CC2CC1(C[NH3+])C2 ZINC000631829621 372611445 /nfs/dbraw/zinc/61/14/45/372611445.db2.gz WHYUPSGIEMQMJQ-QTAHKJALSA-N 1 3 210.321 0.835 20 0 BCADHO COC[C@H](C[N@@H+]1CCCCC[C@@H](N)C1)OC ZINC000631835008 372620115 /nfs/dbraw/zinc/62/01/15/372620115.db2.gz KIVRXQSDZNREEV-NEPJUHHUSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](C[N@H+]1CCCCC[C@@H](N)C1)OC ZINC000631835008 372620121 /nfs/dbraw/zinc/62/01/21/372620121.db2.gz KIVRXQSDZNREEV-NEPJUHHUSA-N 1 3 230.352 0.851 20 0 BCADHO C[C@@H](CN1CCOCC1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837681 372629249 /nfs/dbraw/zinc/62/92/49/372629249.db2.gz VRUCXGFRLGALLN-FRRDWIJNSA-N 1 3 241.379 0.234 20 0 BCADHO COCCCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631840036 372636534 /nfs/dbraw/zinc/63/65/34/372636534.db2.gz OUYJDRLELVIVHW-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO COCCCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631840036 372636538 /nfs/dbraw/zinc/63/65/38/372636538.db2.gz OUYJDRLELVIVHW-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO C[C@@H]1CN(CCN2CCCC2=O)C[C@H]1C[NH3+] ZINC000631841947 372639043 /nfs/dbraw/zinc/63/90/43/372639043.db2.gz SFFKLXWWAHLKHB-GHMZBOCLSA-N 1 3 225.336 0.135 20 0 BCADHO CC[C@@H]1CN(C[C@@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631824782 372604634 /nfs/dbraw/zinc/60/46/34/372604634.db2.gz QBDXSEYSPHXPBL-WOPDTQHZSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1OCC[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861698 372663266 /nfs/dbraw/zinc/66/32/66/372663266.db2.gz HFGUZXLZRVJTRP-RYUDHWBXSA-N 1 3 242.363 0.458 20 0 BCADHO COCC[C@H](C)[NH+]1CCC(NCCO)CC1 ZINC000631863860 372666856 /nfs/dbraw/zinc/66/68/56/372666856.db2.gz DNZSCLCYNXIPGH-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO C([C@H]1CNCCO1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891072 372686548 /nfs/dbraw/zinc/68/65/48/372686548.db2.gz VUYBRZWKMAAZRC-UPJWGTAASA-N 1 3 239.363 0.049 20 0 BCADHO C([C@H]1CNCCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891071 372686856 /nfs/dbraw/zinc/68/68/56/372686856.db2.gz VUYBRZWKMAAZRC-JHJVBQTASA-N 1 3 239.363 0.049 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632862294 373196443 /nfs/dbraw/zinc/19/64/43/373196443.db2.gz AQVSPPMBZHSXGL-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)N(C)C ZINC000633659361 373665968 /nfs/dbraw/zinc/66/59/68/373665968.db2.gz LRQVJNJDXOXWJV-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C ZINC000633659360 373666447 /nfs/dbraw/zinc/66/64/47/373666447.db2.gz LRQVJNJDXOXWJV-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000131839591 182200226 /nfs/dbraw/zinc/20/02/26/182200226.db2.gz KUOUPIYBLBPUOQ-NEPJUHHUSA-N 1 3 239.363 0.634 20 0 BCADHO CO[C@H](C)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000381628175 374136745 /nfs/dbraw/zinc/13/67/45/374136745.db2.gz NETWEFVFNDJIBQ-NEPJUHHUSA-N 1 3 230.352 0.458 20 0 BCADHO CN(C)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424131458 206031630 /nfs/dbraw/zinc/03/16/30/206031630.db2.gz GQNUCYQTNDFZAA-AGIUHOORSA-N 1 3 247.342 0.753 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424125866 206033720 /nfs/dbraw/zinc/03/37/20/206033720.db2.gz AQZLUPYPGPGGHU-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000044726734 182301582 /nfs/dbraw/zinc/30/15/82/182301582.db2.gz LAFKLUBSYFAUAH-GHMZBOCLSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H]([NH3+])CN1CCN(CC2CCOCC2)CC1 ZINC000442665950 206083059 /nfs/dbraw/zinc/08/30/59/206083059.db2.gz RMZPXWXBFGSMRM-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@H](N)c1ccccc1 ZINC000449598942 206099033 /nfs/dbraw/zinc/09/90/33/206099033.db2.gz DVGOYZIOTNLMRE-NHCYSSNCSA-N 1 3 235.331 0.928 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449598153 206099099 /nfs/dbraw/zinc/09/90/99/206099099.db2.gz AZCIIMCDOPGAAC-DTWKUNHWSA-N 1 3 201.314 0.179 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449598155 206099221 /nfs/dbraw/zinc/09/92/21/206099221.db2.gz AZCIIMCDOPGAAC-RKDXNWHRSA-N 1 3 201.314 0.179 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449598152 206099242 /nfs/dbraw/zinc/09/92/42/206099242.db2.gz AZCIIMCDOPGAAC-BDAKNGLRSA-N 1 3 201.314 0.179 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000178966662 134313494 /nfs/dbraw/zinc/31/34/94/134313494.db2.gz ZWWFSXDKWTUSOU-NSHDSACASA-N 1 3 227.352 0.395 20 0 BCADHO OCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000224122491 183078813 /nfs/dbraw/zinc/07/88/13/183078813.db2.gz IVFHBQQDANQSIB-GRYCIOLGSA-N 1 3 212.337 0.879 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C(N)C(F)(F)F ZINC000353189221 169002333 /nfs/dbraw/zinc/00/23/33/169002333.db2.gz UFNHLRWYYPKUKL-RQJHMYQMSA-N 1 3 241.257 0.510 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309408463 169005501 /nfs/dbraw/zinc/00/55/01/169005501.db2.gz IFDVUPHNUFNRPP-AEJSXWLSSA-N 1 3 213.325 0.452 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353380745 169005736 /nfs/dbraw/zinc/00/57/36/169005736.db2.gz DCNGXJPKFFOFRZ-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000336731423 169006185 /nfs/dbraw/zinc/00/61/85/169006185.db2.gz FIAUEADDAAMDHT-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309807260 169006839 /nfs/dbraw/zinc/00/68/39/169006839.db2.gz SMOHWOJCLLHUIW-UWVGGRQHSA-N 1 3 213.325 0.357 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000336741321 169007376 /nfs/dbraw/zinc/00/73/76/169007376.db2.gz NDATXLTWNPVCPO-UWVGGRQHSA-N 1 3 213.325 0.357 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)CN(C)C(C)C ZINC000162737305 169001989 /nfs/dbraw/zinc/00/19/89/169001989.db2.gz HETVZIFPUCIGOE-LLVKDONJSA-N 1 3 229.368 0.960 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353383233 169068995 /nfs/dbraw/zinc/06/89/95/169068995.db2.gz IVVGOGWKCZXQPM-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO CCCN(C)CC(=O)NCCCC[NH+](C)C ZINC000355591162 169070153 /nfs/dbraw/zinc/07/01/53/169070153.db2.gz WZQDAPRRQZJVDT-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO CCCN(C)CC(=O)NCC[NH+](CC)CC ZINC000358562222 169070275 /nfs/dbraw/zinc/07/02/75/169070275.db2.gz OKGCUBSSHXCJBW-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO CCCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000123599591 169070765 /nfs/dbraw/zinc/07/07/65/169070765.db2.gz RVSQWSYPVLHAJG-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN(C)CC(=O)NCC[N@H+](C)CCOC ZINC000359256222 169071352 /nfs/dbraw/zinc/07/13/52/169071352.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO CCCN(C)CC(=O)NCC[N@@H+](C)CCOC ZINC000359256222 169071354 /nfs/dbraw/zinc/07/13/54/169071354.db2.gz XCGSSXULWVYDRA-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357421226 169072992 /nfs/dbraw/zinc/07/29/92/169072992.db2.gz SQFICSWDJABNSK-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357421226 169072993 /nfs/dbraw/zinc/07/29/93/169072993.db2.gz SQFICSWDJABNSK-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346135129 169075660 /nfs/dbraw/zinc/07/56/60/169075660.db2.gz CKGDHBURGSDBGV-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](C)N ZINC000226407221 169120548 /nfs/dbraw/zinc/12/05/48/169120548.db2.gz XHTJNNMBIAFMIQ-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](C)N ZINC000226407221 169120549 /nfs/dbraw/zinc/12/05/49/169120549.db2.gz XHTJNNMBIAFMIQ-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)CN)CC1 ZINC000236758861 169186047 /nfs/dbraw/zinc/18/60/47/169186047.db2.gz NKDYSMQILHBAAQ-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)C2(N)CC2)CC1 ZINC000236769778 169186056 /nfs/dbraw/zinc/18/60/56/169186056.db2.gz AIGMTUGYNSYHKP-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)NC)CC1 ZINC000322774968 169190331 /nfs/dbraw/zinc/19/03/31/169190331.db2.gz JGJWMDSFTBARMX-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000366322556 169192971 /nfs/dbraw/zinc/19/29/71/169192971.db2.gz JJQLLBMCMZEPKR-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236764538 169194116 /nfs/dbraw/zinc/19/41/16/169194116.db2.gz UOVRGKJYXDANQZ-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC[NH2+]C ZINC000236765987 169198898 /nfs/dbraw/zinc/19/88/98/169198898.db2.gz JMFUJCAPKZXPGU-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(N)=O ZINC000336775812 169199699 /nfs/dbraw/zinc/19/96/99/169199699.db2.gz CTHCGNUURKXJEL-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(N)=O ZINC000336775812 169199700 /nfs/dbraw/zinc/19/97/00/169199700.db2.gz CTHCGNUURKXJEL-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC000236795580 169259463 /nfs/dbraw/zinc/25/94/63/169259463.db2.gz GVQDTZUFSFRXGB-NSHDSACASA-N 1 3 229.368 0.688 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000111612169 169246575 /nfs/dbraw/zinc/24/65/75/169246575.db2.gz MVHHJZGASYNTQI-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004614 169387979 /nfs/dbraw/zinc/38/79/79/169387979.db2.gz XPUDXSLXMNLPDD-GRYCIOLGSA-N 1 3 239.363 0.809 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004614 169387980 /nfs/dbraw/zinc/38/79/80/169387980.db2.gz XPUDXSLXMNLPDD-GRYCIOLGSA-N 1 3 239.363 0.809 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815589 134315528 /nfs/dbraw/zinc/31/55/28/134315528.db2.gz HSDPWMBBRFGBOA-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815589 134315529 /nfs/dbraw/zinc/31/55/29/134315529.db2.gz HSDPWMBBRFGBOA-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178824343 134315577 /nfs/dbraw/zinc/31/55/77/134315577.db2.gz JTUWOJJYFBVXQM-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815817 134315884 /nfs/dbraw/zinc/31/58/84/134315884.db2.gz BUSXAUUSPSUJSC-KXUCPTDWSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815817 134315885 /nfs/dbraw/zinc/31/58/85/134315885.db2.gz BUSXAUUSPSUJSC-KXUCPTDWSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CCC[NH3+])CN1C1CC1 ZINC000178867499 134315972 /nfs/dbraw/zinc/31/59/72/134315972.db2.gz KDNRQSQPUVZHGU-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000178870894 134316220 /nfs/dbraw/zinc/31/62/20/134316220.db2.gz SBLMRGFNYCCZSL-BXKDBHETSA-N 1 3 243.326 0.274 20 0 BCADHO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503641 169390603 /nfs/dbraw/zinc/39/06/03/169390603.db2.gz WXLANANQACWFBT-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@]1(C)CCCCN1 ZINC000180897542 134332093 /nfs/dbraw/zinc/33/20/93/134332093.db2.gz OWVGIEPDCROBPU-ZYHUDNBSSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169301 134359619 /nfs/dbraw/zinc/35/96/19/134359619.db2.gz HRBPVSHWAQVMQC-JTQLQIEISA-N 1 3 221.304 0.321 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368100425 383846729 /nfs/dbraw/zinc/84/67/29/383846729.db2.gz QCPYEPYYOKJHGC-WZRBSPASSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000069840200 383847601 /nfs/dbraw/zinc/84/76/01/383847601.db2.gz BVGYKMXXKPSMJW-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(N)CC1 ZINC000237075190 383857975 /nfs/dbraw/zinc/85/79/75/383857975.db2.gz ZMGBVNUTIVDJEY-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(N)CC1 ZINC000237075190 383857979 /nfs/dbraw/zinc/85/79/79/383857979.db2.gz ZMGBVNUTIVDJEY-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036871074 383912441 /nfs/dbraw/zinc/91/24/41/383912441.db2.gz XNVIVNSRTWWTGL-NSHDSACASA-N 1 3 229.368 0.959 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)CN)C1CCCCC1 ZINC000237191152 383975413 /nfs/dbraw/zinc/97/54/13/383975413.db2.gz FJPJHINRGNOZOD-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1NCCN(C(=O)CCC(C)(C)[NH3+])[C@H]1C ZINC000648127345 384023559 /nfs/dbraw/zinc/02/35/59/384023559.db2.gz MCFOTBOIMYAMKE-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648127729 384053981 /nfs/dbraw/zinc/05/39/81/384053981.db2.gz UFYGFMVANOARFT-IVZWLZJFSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648127727 384054082 /nfs/dbraw/zinc/05/40/82/384054082.db2.gz UFYGFMVANOARFT-AEJSXWLSSA-N 1 3 225.336 0.193 20 0 BCADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C)C1CC1 ZINC000310226253 384128949 /nfs/dbraw/zinc/12/89/49/384128949.db2.gz GVPFZPCPERZOSH-STQMWFEESA-N 1 3 241.379 0.125 20 0 BCADHO CN(C)C[C@H](NC(=O)C[NH3+])c1ccccc1 ZINC000040809084 384165749 /nfs/dbraw/zinc/16/57/49/384165749.db2.gz ABUWRGOEHDSTEJ-NSHDSACASA-N 1 3 221.304 0.364 20 0 BCADHO CN(C)C[C@@H](NC(=O)C[NH3+])c1ccccc1 ZINC000040809086 384166033 /nfs/dbraw/zinc/16/60/33/384166033.db2.gz ABUWRGOEHDSTEJ-LLVKDONJSA-N 1 3 221.304 0.364 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@H](N)CC)CC1 ZINC000129089430 384166695 /nfs/dbraw/zinc/16/66/95/384166695.db2.gz AKOVSFKPZXAFPP-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)C1(N)CCCC1 ZINC000648139733 384168021 /nfs/dbraw/zinc/16/80/21/384168021.db2.gz IEDHHKBEMBOYBD-JTQLQIEISA-N 1 3 227.352 0.892 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CC[N@@H+]1C ZINC000648141117 384169653 /nfs/dbraw/zinc/16/96/53/384169653.db2.gz DRCFFPIJUFWMBB-VPOLOUISSA-N 1 3 243.326 0.143 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CC[N@H+]1C ZINC000648141117 384169655 /nfs/dbraw/zinc/16/96/55/384169655.db2.gz DRCFFPIJUFWMBB-VPOLOUISSA-N 1 3 243.326 0.143 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000237453277 384207347 /nfs/dbraw/zinc/20/73/47/384207347.db2.gz QTVGYDGTBUBDEG-MNOVXSKESA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H]1SCCN(CCOCC[NH3+])[C@H]1C ZINC000132514976 384193894 /nfs/dbraw/zinc/19/38/94/384193894.db2.gz KYVKQRLFJKFRRX-UWVGGRQHSA-N 1 3 218.366 0.788 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CN1C1CC1 ZINC000237438630 384197265 /nfs/dbraw/zinc/19/72/65/384197265.db2.gz DHBLBGZYCREHLC-BDAKNGLRSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000237453502 384208675 /nfs/dbraw/zinc/20/86/75/384208675.db2.gz QTVGYDGTBUBDEG-GHMZBOCLSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H](CS(C)(=O)=O)[NH2+]CCCCN(C)C ZINC000081901008 384211200 /nfs/dbraw/zinc/21/12/00/384211200.db2.gz ZFPRDTIBZHZVIO-JTQLQIEISA-N 1 3 236.381 0.351 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000644164929 384244474 /nfs/dbraw/zinc/24/44/74/384244474.db2.gz IVXCQGUVYKEGQP-MRVPVSSYSA-N 1 3 249.305 0.475 20 0 BCADHO CC(C)N(C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000174240504 384314466 /nfs/dbraw/zinc/31/44/66/384314466.db2.gz FAIMAYRPHRUKMO-UHFFFAOYSA-N 1 3 229.368 0.831 20 0 BCADHO C[C@H](NC(=O)C1(N)CC1)C(C)(C)C[NH+](C)C ZINC000237547404 384280003 /nfs/dbraw/zinc/28/00/03/384280003.db2.gz AEOYYXBXOBBPNX-VIFPVBQESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237559672 384284733 /nfs/dbraw/zinc/28/47/33/384284733.db2.gz VBQKYYZICIBDFB-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000237559672 384284734 /nfs/dbraw/zinc/28/47/34/384284734.db2.gz VBQKYYZICIBDFB-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773199 384296169 /nfs/dbraw/zinc/29/61/69/384296169.db2.gz NAVSNAVGFMAKOW-WRWGMCAJSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773199 384296173 /nfs/dbraw/zinc/29/61/73/384296173.db2.gz NAVSNAVGFMAKOW-WRWGMCAJSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC[C@@H](CC[NH3+])C1 ZINC000224290303 384351806 /nfs/dbraw/zinc/35/18/06/384351806.db2.gz YDPMESOZXZCGDM-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000069792112 384351991 /nfs/dbraw/zinc/35/19/91/384351991.db2.gz SPCGXLOLACSIRP-SNVBAGLBSA-N 1 3 225.336 0.054 20 0 BCADHO O=C(CNC1CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188650597 384363779 /nfs/dbraw/zinc/36/37/79/384363779.db2.gz JMPCCPVFBGDINC-UHFFFAOYSA-N 1 3 245.326 0.658 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807170 384402048 /nfs/dbraw/zinc/40/20/48/384402048.db2.gz ACNZELUBADOWDX-SECBINFHSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCCN1 ZINC000237762978 384376392 /nfs/dbraw/zinc/37/63/92/384376392.db2.gz MIXMDEXLXUOKOB-DGCLKSJQSA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)[C@H](C)[NH3+] ZINC000648144978 384438808 /nfs/dbraw/zinc/43/88/08/384438808.db2.gz TVOQCAJEOREWKB-VHSXEESVSA-N 1 3 247.342 0.335 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000249027688 384463561 /nfs/dbraw/zinc/46/35/61/384463561.db2.gz LREFDHZQOFQHFJ-XWLWVQCSSA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180674 384476173 /nfs/dbraw/zinc/47/61/73/384476173.db2.gz LYIDNCYCNHJVCN-VIFPVBQESA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000249078919 384479652 /nfs/dbraw/zinc/47/96/52/384479652.db2.gz RIGSWVNLZOPRGP-FIQHERPVSA-N 1 3 241.379 0.911 20 0 BCADHO C[C@@H](C(=O)N(C)C[C@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000249097077 384484021 /nfs/dbraw/zinc/48/40/21/384484021.db2.gz UFTBTDXPTRRSOQ-WOPDTQHZSA-N 1 3 241.379 0.770 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](CCCO)C1 ZINC000304287088 384511423 /nfs/dbraw/zinc/51/14/23/384511423.db2.gz AYAWNAVKPOGJDQ-LLVKDONJSA-N 1 3 200.326 0.642 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](CCCO)C1 ZINC000304287088 384511425 /nfs/dbraw/zinc/51/14/25/384511425.db2.gz AYAWNAVKPOGJDQ-LLVKDONJSA-N 1 3 200.326 0.642 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]2C1 ZINC000648169114 384517452 /nfs/dbraw/zinc/51/74/52/384517452.db2.gz YEQXMUFETLDFFY-BNDIWNMDSA-N 1 3 249.358 0.004 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236614617 384533463 /nfs/dbraw/zinc/53/34/63/384533463.db2.gz NPQQVKXAKQNNFX-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+]CCNC(=O)c1cccc(CN(C)C)c1 ZINC000151245327 384553570 /nfs/dbraw/zinc/55/35/70/384553570.db2.gz DJKFHCUTLOZJPR-UHFFFAOYSA-N 1 3 235.331 0.697 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000236712224 384555102 /nfs/dbraw/zinc/55/51/02/384555102.db2.gz RMIJIVIPRIDHAG-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000236712224 384555107 /nfs/dbraw/zinc/55/51/07/384555107.db2.gz RMIJIVIPRIDHAG-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[NH2+]CCC ZINC000236745231 384568978 /nfs/dbraw/zinc/56/89/78/384568978.db2.gz YHSCDSSOZCRSID-SNVBAGLBSA-N 1 3 215.341 0.620 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000151496390 384577878 /nfs/dbraw/zinc/57/78/78/384577878.db2.gz WYHQPIJZFQEASI-NSHDSACASA-N 1 3 229.368 0.641 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC000151496390 384577888 /nfs/dbraw/zinc/57/78/88/384577888.db2.gz WYHQPIJZFQEASI-NSHDSACASA-N 1 3 229.368 0.641 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975835 384583952 /nfs/dbraw/zinc/58/39/52/384583952.db2.gz KRCJJIAHBZYZTD-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975835 384583956 /nfs/dbraw/zinc/58/39/56/384583956.db2.gz KRCJJIAHBZYZTD-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCCC[NH3+] ZINC000040832507 384595964 /nfs/dbraw/zinc/59/59/64/384595964.db2.gz SNWLLGQDCHWERT-SNVBAGLBSA-N 1 3 201.314 0.359 20 0 BCADHO C[C@@H]1C[C@@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000157872735 384600383 /nfs/dbraw/zinc/60/03/83/384600383.db2.gz TXXCPWOVVMIACV-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000157872735 384600389 /nfs/dbraw/zinc/60/03/89/384600389.db2.gz TXXCPWOVVMIACV-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1C[C@H](C)[N@H+](CCN2CCNCC2)C1 ZINC000157872584 384601720 /nfs/dbraw/zinc/60/17/20/384601720.db2.gz TXXCPWOVVMIACV-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1C[C@H](C)[N@@H+](CCN2CCNCC2)C1 ZINC000157872584 384601727 /nfs/dbraw/zinc/60/17/27/384601727.db2.gz TXXCPWOVVMIACV-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000449611555 384720272 /nfs/dbraw/zinc/72/02/72/384720272.db2.gz WGKZUPKWWGBACU-HLTSFMKQSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)(C)OCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000308516268 384777844 /nfs/dbraw/zinc/77/78/44/384777844.db2.gz ZCBIESSLUXCVNI-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO COCC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309944382 384730400 /nfs/dbraw/zinc/73/04/00/384730400.db2.gz CTLBSQXFBOGCEO-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO N[C@@H](C(=O)NCc1ccc(C[NH3+])cc1)C1CCC1 ZINC000568271261 384737092 /nfs/dbraw/zinc/73/70/92/384737092.db2.gz ABXYKDXCQXWCRS-CYBMUJFWSA-N 1 3 247.342 0.889 20 0 BCADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)OC ZINC000300386512 384742108 /nfs/dbraw/zinc/74/21/08/384742108.db2.gz ZDLVHQVBAORZDT-SDDRHHMPSA-N 1 3 230.352 0.755 20 0 BCADHO COC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])OC ZINC000300386512 384742112 /nfs/dbraw/zinc/74/21/12/384742112.db2.gz ZDLVHQVBAORZDT-SDDRHHMPSA-N 1 3 230.352 0.755 20 0 BCADHO F[C@@H]1CN[C@H](CN[C@H]2CCC[NH2+]C2)C1 ZINC000647548053 384750591 /nfs/dbraw/zinc/75/05/91/384750591.db2.gz SUZGKRIHZODXFT-GUBZILKMSA-N 1 3 201.289 0.028 20 0 BCADHO CCOC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309984301 384764773 /nfs/dbraw/zinc/76/47/73/384764773.db2.gz XPAWOHQZWSBKQO-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO COC[C@@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000042519557 384819483 /nfs/dbraw/zinc/81/94/83/384819483.db2.gz PRMZYXSKTLODAM-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000126669770 384820114 /nfs/dbraw/zinc/82/01/14/384820114.db2.gz BLYYWDKBJQXLNE-UHTWSYAYSA-N 1 3 247.342 0.801 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)CNC)C1 ZINC000236899572 384788978 /nfs/dbraw/zinc/78/89/78/384788978.db2.gz JEGPTAZUYCFFLG-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CN(CC1CC[NH+](C)CC1)C(=O)C1(N)CC1 ZINC000083836062 384800372 /nfs/dbraw/zinc/80/03/72/384800372.db2.gz APBVKXMYUCAMTC-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)C[NH+]1CCCC1 ZINC000083835991 384800561 /nfs/dbraw/zinc/80/05/61/384800561.db2.gz NFIXGDWMYXQHFV-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CNCCC1(F)F ZINC000648190312 384802668 /nfs/dbraw/zinc/80/26/68/384802668.db2.gz QJJAKLMTFQWDPW-XHNCKOQMSA-N 1 3 249.305 0.473 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000648190194 384803528 /nfs/dbraw/zinc/80/35/28/384803528.db2.gz GJRLBAGUQXINQP-IWSPIJDZSA-N 1 3 201.314 0.212 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H](C)CC[NH+](C)C ZINC000308558766 384806155 /nfs/dbraw/zinc/80/61/55/384806155.db2.gz CXEMYHLHEBTWJL-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449650278 384814221 /nfs/dbraw/zinc/81/42/21/384814221.db2.gz TYMPHHLKUBWCEI-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000127462342 384870966 /nfs/dbraw/zinc/87/09/66/384870966.db2.gz UORBHYOSRKJLGJ-LLVKDONJSA-N 1 3 213.325 0.196 20 0 BCADHO CC[NH2+]CCCNC(=O)NCCN(C)C1CC1 ZINC000557145686 384842199 /nfs/dbraw/zinc/84/21/99/384842199.db2.gz IAIKMUKBRHBVFJ-UHFFFAOYSA-N 1 3 242.367 0.379 20 0 BCADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000104448484 384855777 /nfs/dbraw/zinc/85/57/77/384855777.db2.gz KYDUPEVSESBOQM-JTQLQIEISA-N 1 3 239.363 0.666 20 0 BCADHO CN1CCC(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000257678354 384923749 /nfs/dbraw/zinc/92/37/49/384923749.db2.gz IIOASLMAQVYUAG-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000257709668 384925180 /nfs/dbraw/zinc/92/51/80/384925180.db2.gz QJOYZEHSRQEGLQ-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO CSC[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000127447550 384933276 /nfs/dbraw/zinc/93/32/76/384933276.db2.gz MUWNALJMKOMTBH-WDEREUQCSA-N 1 3 232.393 0.784 20 0 BCADHO NCc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000647607579 384936836 /nfs/dbraw/zinc/93/68/36/384936836.db2.gz XKSNATWXSUOPPD-AOOOYVTPSA-N 1 3 219.288 0.821 20 0 BCADHO NCc1cccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000647607451 384937188 /nfs/dbraw/zinc/93/71/88/384937188.db2.gz QATQOYANYALQMD-GDNZZTSVSA-N 1 3 231.299 0.549 20 0 BCADHO CC(C)N(C)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449687207 384939405 /nfs/dbraw/zinc/93/94/05/384939405.db2.gz OLAUKNMPXZZXHK-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO CCCC[NH+]1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000037005025 384988633 /nfs/dbraw/zinc/98/86/33/384988633.db2.gz NXOMNXGKHFXOLV-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023901 384992847 /nfs/dbraw/zinc/99/28/47/384992847.db2.gz MBDZZULCUKOODP-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023901 384992853 /nfs/dbraw/zinc/99/28/53/384992853.db2.gz MBDZZULCUKOODP-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)N(C)C1CC1 ZINC000226398812 385007669 /nfs/dbraw/zinc/00/76/69/385007669.db2.gz ZGOLJVGELNXKHG-MFKMUULPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000226396348 385007746 /nfs/dbraw/zinc/00/77/46/385007746.db2.gz IMZACFKZTYHTHS-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000226396348 385007750 /nfs/dbraw/zinc/00/77/50/385007750.db2.gz IMZACFKZTYHTHS-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCCN1CCCCCC1 ZINC000050464545 385009180 /nfs/dbraw/zinc/00/91/80/385009180.db2.gz JNWAESUSTYBLEJ-WDEREUQCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCNC[C@H]2C(F)F)CC[NH2+]1 ZINC000516650341 385009807 /nfs/dbraw/zinc/00/98/07/385009807.db2.gz KJHGXPIDFSTOEI-VWYCJHECSA-N 1 3 247.333 0.913 20 0 BCADHO Cc1cnn(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000404787472 385062260 /nfs/dbraw/zinc/06/22/60/385062260.db2.gz PYGUMWIVCKBTSA-GHMZBOCLSA-N 1 3 222.336 0.907 20 0 BCADHO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](N)C2(C)C)c1 ZINC000404787472 385062265 /nfs/dbraw/zinc/06/22/65/385062265.db2.gz PYGUMWIVCKBTSA-GHMZBOCLSA-N 1 3 222.336 0.907 20 0 BCADHO C[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCCN1 ZINC000364162861 385077739 /nfs/dbraw/zinc/07/77/39/385077739.db2.gz VGUYDSHWTSAETN-DGCLKSJQSA-N 1 3 239.363 0.777 20 0 BCADHO CC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000644619186 385026618 /nfs/dbraw/zinc/02/66/18/385026618.db2.gz WTEWEVHOTQBGRR-ZYHUDNBSSA-N 1 3 212.337 0.997 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993645 385122994 /nfs/dbraw/zinc/12/29/94/385122994.db2.gz CKAAOGMAGIAVTR-GFCCVEGCSA-N 1 3 227.352 0.844 20 0 BCADHO CCN(CC)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646991735 385126266 /nfs/dbraw/zinc/12/62/66/385126266.db2.gz MHOUXCHMHZDVIR-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990685 385126573 /nfs/dbraw/zinc/12/65/73/385126573.db2.gz YLOIYBAHIGJBQL-GFCCVEGCSA-N 1 3 233.315 0.643 20 0 BCADHO C[C@@H](CNC(=O)[C@H](CN)c1ccccc1)[NH+](C)C ZINC000061612326 385126809 /nfs/dbraw/zinc/12/68/09/385126809.db2.gz RKICKXZXDBQDNA-WCQYABFASA-N 1 3 249.358 0.795 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000061613440 385127196 /nfs/dbraw/zinc/12/71/96/385127196.db2.gz MYWSZLHJSUCUMY-ZDUSSCGKSA-N 1 3 249.358 0.797 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000061613440 385127202 /nfs/dbraw/zinc/12/72/02/385127202.db2.gz MYWSZLHJSUCUMY-ZDUSSCGKSA-N 1 3 249.358 0.797 20 0 BCADHO CCCN(C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646991955 385127711 /nfs/dbraw/zinc/12/77/11/385127711.db2.gz UFKRJUVTTNTSIV-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC(C)([NH3+])CC1 ZINC000646992391 385128977 /nfs/dbraw/zinc/12/89/77/385128977.db2.gz ILBKEFSIICBLCD-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998228 385132020 /nfs/dbraw/zinc/13/20/20/385132020.db2.gz XDEOIXQATKPDOD-PRJMDXOYSA-N 1 3 235.278 0.355 20 0 BCADHO COCCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000566245209 385133961 /nfs/dbraw/zinc/13/39/61/385133961.db2.gz KRCCDXCOWXCIPI-GFCCVEGCSA-N 1 3 242.363 0.710 20 0 BCADHO COCCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000566245209 385133971 /nfs/dbraw/zinc/13/39/71/385133971.db2.gz KRCCDXCOWXCIPI-GFCCVEGCSA-N 1 3 242.363 0.710 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449748238 385139591 /nfs/dbraw/zinc/13/95/91/385139591.db2.gz BAXWNFZNSUEGEU-SNVBAGLBSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCCN(C2CC2)CC1 ZINC000367653497 385086945 /nfs/dbraw/zinc/08/69/45/385086945.db2.gz NVENDTGKBSCHKK-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](CCCC(=O)NC)C1 ZINC000559642316 385099939 /nfs/dbraw/zinc/09/99/39/385099939.db2.gz WWFZHXFDUUDBMX-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](CCCC(=O)NC)C1 ZINC000559642316 385099943 /nfs/dbraw/zinc/09/99/43/385099943.db2.gz WWFZHXFDUUDBMX-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO O=C(CC1CC[NH2+]CC1)NCCN1CCCC1 ZINC000002583927 385183036 /nfs/dbraw/zinc/18/30/36/385183036.db2.gz XBQHBEXCFUWDCV-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000647051333 385188358 /nfs/dbraw/zinc/18/83/58/385188358.db2.gz QFPRCKALUFIWJN-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449753450 385155049 /nfs/dbraw/zinc/15/50/49/385155049.db2.gz OONGJDOESHPJKI-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026382 385160474 /nfs/dbraw/zinc/16/04/74/385160474.db2.gz GRLSKMQDXFIXIS-WDEREUQCSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000119719519 385167499 /nfs/dbraw/zinc/16/74/99/385167499.db2.gz ZVIVUAKHMVGFCO-UHFFFAOYSA-N 1 3 213.369 0.964 20 0 BCADHO CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000119719519 385167503 /nfs/dbraw/zinc/16/75/03/385167503.db2.gz ZVIVUAKHMVGFCO-UHFFFAOYSA-N 1 3 213.369 0.964 20 0 BCADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)CC[NH3+] ZINC000165644966 385170083 /nfs/dbraw/zinc/17/00/83/385170083.db2.gz XGJUAEBZOTWWRD-ZDUSSCGKSA-N 1 3 249.358 0.624 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058098 385201233 /nfs/dbraw/zinc/20/12/33/385201233.db2.gz MOORLUDSMBFXSP-UKKRHICBSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000647064683 385211132 /nfs/dbraw/zinc/21/11/32/385211132.db2.gz PFYXVCANMDKJOM-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000157573361 385216135 /nfs/dbraw/zinc/21/61/35/385216135.db2.gz OLHAURJSIMLMOQ-LBPRGKRZSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647070246 385217335 /nfs/dbraw/zinc/21/73/35/385217335.db2.gz NCPBRZGDNJYOBE-BQBZGAKWSA-N 1 3 223.267 0.068 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072049 385217452 /nfs/dbraw/zinc/21/74/52/385217452.db2.gz YTQYEQHRIXOYBW-NKWVEPMBSA-N 1 3 235.278 0.083 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC([NH3+])CC1)N(C)C ZINC000157598822 385221347 /nfs/dbraw/zinc/22/13/47/385221347.db2.gz BNASWDLIUUVANR-LLVKDONJSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336390500 385224395 /nfs/dbraw/zinc/22/43/95/385224395.db2.gz JOMWHEBWVCBKCA-LBPRGKRZSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC(F)F)[NH+](C)C ZINC000308872358 385227853 /nfs/dbraw/zinc/22/78/53/385227853.db2.gz ZMOVRQJEMOZNLF-RQJHMYQMSA-N 1 3 223.267 0.035 20 0 BCADHO CC(C)[C@H]1CN(CC(C)(C)[NH3+])CCN1C ZINC000108362550 385232227 /nfs/dbraw/zinc/23/22/27/385232227.db2.gz IEKOIBBXPQPZKL-LLVKDONJSA-N 1 3 213.369 0.996 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404996608 385232872 /nfs/dbraw/zinc/23/28/72/385232872.db2.gz XCOQBVZLWQTXIJ-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO [NH3+]CCOCC(=O)Nc1ccc2c(c1)CNC2 ZINC000647076283 385234505 /nfs/dbraw/zinc/23/45/05/385234505.db2.gz GHYPYMUVBOWDLI-UHFFFAOYSA-N 1 3 235.287 0.204 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649620 385235756 /nfs/dbraw/zinc/23/57/56/385235756.db2.gz KHADRUWTDZBPGA-ZYHUDNBSSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649620 385235769 /nfs/dbraw/zinc/23/57/69/385235769.db2.gz KHADRUWTDZBPGA-ZYHUDNBSSA-N 1 3 239.363 0.570 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643494 385236026 /nfs/dbraw/zinc/23/60/26/385236026.db2.gz WLVYKVOWVDVWSN-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643494 385236032 /nfs/dbraw/zinc/23/60/32/385236032.db2.gz WLVYKVOWVDVWSN-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000647084087 385246158 /nfs/dbraw/zinc/24/61/58/385246158.db2.gz FLIXCWQLVYEUAO-VIFPVBQESA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000157689401 385246550 /nfs/dbraw/zinc/24/65/50/385246550.db2.gz BVHONIOSPQITJS-SDDRHHMPSA-N 1 3 241.379 0.816 20 0 BCADHO COCCN(CCN(C)C)C(=O)CC(C)(C)[NH3+] ZINC000648152632 385295136 /nfs/dbraw/zinc/29/51/36/385295136.db2.gz OPHZOBLYQQVWSY-UHFFFAOYSA-N 1 3 245.367 0.150 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000157863882 385297977 /nfs/dbraw/zinc/29/79/77/385297977.db2.gz BZLFGZOCQVVPIX-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)C(C)(C)[NH3+])C1 ZINC000164992710 385335706 /nfs/dbraw/zinc/33/57/06/385335706.db2.gz LOYCBHSIBXVSMP-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CN)C1 ZINC000165125553 385352522 /nfs/dbraw/zinc/35/25/22/385352522.db2.gz JDSXNNAFWASOQA-VXGBXAGGSA-N 1 3 241.379 0.819 20 0 BCADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CN)C1 ZINC000165125435 385352803 /nfs/dbraw/zinc/35/28/03/385352803.db2.gz JDSXNNAFWASOQA-RYUDHWBXSA-N 1 3 241.379 0.819 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H](N)CC(F)F ZINC000309032028 385380065 /nfs/dbraw/zinc/38/00/65/385380065.db2.gz CIPXREUKCIRUCV-ZETCQYMHSA-N 1 3 223.267 0.037 20 0 BCADHO CCOC[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000309049625 385384191 /nfs/dbraw/zinc/38/41/91/385384191.db2.gz QDGRGRPAUWHTBH-MNOVXSKESA-N 1 3 216.325 0.068 20 0 BCADHO CCOC[C@@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000309049625 385384194 /nfs/dbraw/zinc/38/41/94/385384194.db2.gz QDGRGRPAUWHTBH-MNOVXSKESA-N 1 3 216.325 0.068 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@H]1CNCCC1(F)F ZINC000644066881 385414946 /nfs/dbraw/zinc/41/49/46/385414946.db2.gz UQVLBDMDMULITL-MRVPVSSYSA-N 1 3 235.278 0.038 20 0 BCADHO NC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731457 385416185 /nfs/dbraw/zinc/41/61/85/385416185.db2.gz RMVYQNCYFXKAEM-STQMWFEESA-N 1 3 247.342 0.597 20 0 BCADHO CC1(C)CNCCN1C(=O)CC1(C[NH3+])CC1 ZINC000644074972 385423582 /nfs/dbraw/zinc/42/35/82/385423582.db2.gz NIIVFMSMFSBQGU-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H]1CC[NH2+]1 ZINC000644092163 385444685 /nfs/dbraw/zinc/44/46/85/385444685.db2.gz INZMNQDXOLZIGF-WDEREUQCSA-N 1 3 249.314 0.173 20 0 BCADHO COc1ccccc1[C@H](N)CNC(=O)C1([NH3+])CC1 ZINC000644092405 385445094 /nfs/dbraw/zinc/44/50/94/385445094.db2.gz MXDWVFLGTZCOFB-SNVBAGLBSA-N 1 3 249.314 0.303 20 0 BCADHO C[C@H](NC(=O)[C@H]1NCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000644082246 385428886 /nfs/dbraw/zinc/42/88/86/385428886.db2.gz RKBNSMPXOUNVET-HBNTYKKESA-N 1 3 239.363 0.489 20 0 BCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CC[NH2+]1 ZINC000644102611 385472211 /nfs/dbraw/zinc/47/22/11/385472211.db2.gz QUTOYHKBFWZHCC-LLVKDONJSA-N 1 3 232.287 0.028 20 0 BCADHO C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCN1 ZINC000644097022 385460254 /nfs/dbraw/zinc/46/02/54/385460254.db2.gz CLMUVJLSYOBONG-LLVKDONJSA-N 1 3 219.288 0.706 20 0 BCADHO Cn1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000257755775 385496679 /nfs/dbraw/zinc/49/66/79/385496679.db2.gz WGHHMMVDHIXNAN-AWEZNQCLSA-N 1 3 248.374 0.505 20 0 BCADHO CC[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCOC1 ZINC000336724966 385498862 /nfs/dbraw/zinc/49/88/62/385498862.db2.gz ZSKJWPFLINUVSH-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCCN1 ZINC000309295318 385518409 /nfs/dbraw/zinc/51/84/09/385518409.db2.gz RJKYPRONBXYJJT-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO NC1(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000644132166 385513213 /nfs/dbraw/zinc/51/32/13/385513213.db2.gz MSIJVWOHJYGHRG-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145976 385536234 /nfs/dbraw/zinc/53/62/34/385536234.db2.gz WTJYQSIEVGXQAC-ZJUUUORDSA-N 1 3 237.347 0.243 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644145975 385536640 /nfs/dbraw/zinc/53/66/40/385536640.db2.gz WTJYQSIEVGXQAC-VHSXEESVSA-N 1 3 237.347 0.243 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000644140600 385523045 /nfs/dbraw/zinc/52/30/45/385523045.db2.gz TULAKRCBLQSHDP-SECBINFHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C1(N)CCCCC1 ZINC000309418763 385575203 /nfs/dbraw/zinc/57/52/03/385575203.db2.gz JNQNMGXGTPOSGG-SECBINFHSA-N 1 3 213.325 0.359 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000364991154 385557830 /nfs/dbraw/zinc/55/78/30/385557830.db2.gz YFSZXVXATLVWDQ-WOPDTQHZSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364991154 385557834 /nfs/dbraw/zinc/55/78/34/385557834.db2.gz YFSZXVXATLVWDQ-WOPDTQHZSA-N 1 3 239.363 0.522 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000054075661 385595365 /nfs/dbraw/zinc/59/53/65/385595365.db2.gz JCDGMDQPTJSIOV-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CCCNCC1 ZINC000309540996 385673734 /nfs/dbraw/zinc/67/37/34/385673734.db2.gz FXPIOHYVVXVLGN-NSHDSACASA-N 1 3 225.336 0.341 20 0 BCADHO CCN(CC)CC(=O)NCCOCC[NH+](C)C ZINC000337470137 385675980 /nfs/dbraw/zinc/67/59/80/385675980.db2.gz QRLMUKQMZRRBSR-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO C[NH2+]CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000645220972 385686625 /nfs/dbraw/zinc/68/66/25/385686625.db2.gz FUXWRPDZQVGJBK-UHFFFAOYSA-N 1 3 248.330 0.340 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000309594588 385718085 /nfs/dbraw/zinc/71/80/85/385718085.db2.gz HZYOOHBOFVHCSE-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](COC)[NH2+][C@H]1CCNC[C@@H]1C ZINC000336698695 385753923 /nfs/dbraw/zinc/75/39/23/385753923.db2.gz VPJHSRHUTJWNFK-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@H](COC)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000336698695 385753928 /nfs/dbraw/zinc/75/39/28/385753928.db2.gz VPJHSRHUTJWNFK-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000336737513 385799393 /nfs/dbraw/zinc/79/93/93/385799393.db2.gz JLTXTQWQYLWFKX-GXSJLCMTSA-N 1 3 215.341 0.476 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000340157389 385805811 /nfs/dbraw/zinc/80/58/11/385805811.db2.gz WEWTUXBSCYNQNY-VWYCJHECSA-N 1 3 227.352 0.700 20 0 BCADHO N[C@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000261641856 385827565 /nfs/dbraw/zinc/82/75/65/385827565.db2.gz DSYXWGJIFXNVBJ-VXGBXAGGSA-N 1 3 233.315 0.555 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000186809106 385797151 /nfs/dbraw/zinc/79/71/51/385797151.db2.gz NPEHFRDXZYORBE-DCAQKATOSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000186809124 385797636 /nfs/dbraw/zinc/79/76/36/385797636.db2.gz NPEHFRDXZYORBE-OUAUKWLOSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647845302 385885833 /nfs/dbraw/zinc/88/58/33/385885833.db2.gz USNMXVBPQDOXNY-AAEUAGOBSA-N 1 3 249.358 0.945 20 0 BCADHO CN(CCC[NH3+])CCC(=O)Nc1cccnc1 ZINC000647847172 385896809 /nfs/dbraw/zinc/89/68/09/385896809.db2.gz DRNVXRCEKHBNGU-UHFFFAOYSA-N 1 3 236.319 0.691 20 0 BCADHO CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000413852419 385900049 /nfs/dbraw/zinc/90/00/49/385900049.db2.gz ABIQHHYMJDMGHC-JTQLQIEISA-N 1 3 229.368 0.783 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000647816979 385870587 /nfs/dbraw/zinc/87/05/87/385870587.db2.gz TWMLEGSDEBGMII-WYUUTHIRSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000647816976 385870906 /nfs/dbraw/zinc/87/09/06/385870906.db2.gz TWMLEGSDEBGMII-KKOKHZNYSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000647831335 385874287 /nfs/dbraw/zinc/87/42/87/385874287.db2.gz JIIGCBRCMLQMAI-NWDGAFQWSA-N 1 3 241.379 0.878 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000647831336 385874660 /nfs/dbraw/zinc/87/46/60/385874660.db2.gz JIIGCBRCMLQMAI-RYUDHWBXSA-N 1 3 241.379 0.878 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000647828193 385876433 /nfs/dbraw/zinc/87/64/33/385876433.db2.gz GDZLOGRYCUSSOS-XCBNKYQSSA-N 1 3 237.294 0.459 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]C1)C12CCCN1CCC2 ZINC000335017890 385976261 /nfs/dbraw/zinc/97/62/61/385976261.db2.gz AGDOZJQTWKTEGV-NSHDSACASA-N 1 3 237.347 0.483 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000335051640 385948556 /nfs/dbraw/zinc/94/85/56/385948556.db2.gz STVCZEHDFXWFSA-MNOVXSKESA-N 1 3 212.337 0.879 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(O)CCC1 ZINC000335051640 385948559 /nfs/dbraw/zinc/94/85/59/385948559.db2.gz STVCZEHDFXWFSA-MNOVXSKESA-N 1 3 212.337 0.879 20 0 BCADHO NC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222370 385993748 /nfs/dbraw/zinc/99/37/48/385993748.db2.gz RDMRYNLCFXQZGX-QWHCGFSZSA-N 1 3 247.342 0.582 20 0 BCADHO N[C@@H](CC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000263226058 385959035 /nfs/dbraw/zinc/95/90/35/385959035.db2.gz CFWRVUHBXLWIDB-QWHCGFSZSA-N 1 3 247.342 0.930 20 0 BCADHO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)[C@H](C)N ZINC000365220605 385960307 /nfs/dbraw/zinc/96/03/07/385960307.db2.gz HYUXTKXRFCLTLV-KWQFWETISA-N 1 3 249.314 0.779 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000365228854 385964972 /nfs/dbraw/zinc/96/49/72/385964972.db2.gz USBFYTMMUQJWGI-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(C)CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000338479020 386019614 /nfs/dbraw/zinc/01/96/14/386019614.db2.gz MXBVZUKTMMNQDX-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCN2)C1 ZINC000335064134 386034973 /nfs/dbraw/zinc/03/49/73/386034973.db2.gz WXSFWSUJCGAALW-GHMZBOCLSA-N 1 3 231.299 0.265 20 0 BCADHO CCC[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414666409 386112046 /nfs/dbraw/zinc/11/20/46/386112046.db2.gz GFPAHBFWRAPFRP-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO CCC[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414666409 386112051 /nfs/dbraw/zinc/11/20/51/386112051.db2.gz GFPAHBFWRAPFRP-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)/C=C/C[NH+](C)C ZINC000287317981 386112356 /nfs/dbraw/zinc/11/23/56/386112356.db2.gz WSZSIZCKJBSUMO-FGEFZZPRSA-N 1 3 213.325 0.171 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404406 386077734 /nfs/dbraw/zinc/07/77/34/386077734.db2.gz PQETYIFGGAUISK-VXGBXAGGSA-N 1 3 230.352 0.410 20 0 BCADHO COC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404406 386077737 /nfs/dbraw/zinc/07/77/37/386077737.db2.gz PQETYIFGGAUISK-VXGBXAGGSA-N 1 3 230.352 0.410 20 0 BCADHO CCN1CC[C@H]([NH2+]CCNCCOC)[C@@H](C)C1 ZINC000414887616 386092895 /nfs/dbraw/zinc/09/28/95/386092895.db2.gz QSFBLTPZUJRKRE-STQMWFEESA-N 1 3 243.395 0.542 20 0 BCADHO CCNC(=O)CN(CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677524 386157565 /nfs/dbraw/zinc/15/75/65/386157565.db2.gz JEUKSLBCPIYKCF-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N(CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677801 386158189 /nfs/dbraw/zinc/15/81/89/386158189.db2.gz JTFVWQXOFBKMNZ-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346182022 386161747 /nfs/dbraw/zinc/16/17/47/386161747.db2.gz CHYLZIVRFCQXTO-JTQLQIEISA-N 1 3 215.341 0.393 20 0 BCADHO C[C@H](CN(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC000346139246 386165644 /nfs/dbraw/zinc/16/56/44/386165644.db2.gz NZXCALPCGXPATQ-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](N)c1cn(C[C@@H](O)C[N@H+](C)CC)nn1 ZINC000310315111 386172556 /nfs/dbraw/zinc/17/25/56/386172556.db2.gz XIFFNPRRHJPJGR-VHSXEESVSA-N 1 3 241.339 0.001 20 0 BCADHO CC[C@@H](N)c1cn(C[C@@H](O)C[N@@H+](C)CC)nn1 ZINC000310315111 386172560 /nfs/dbraw/zinc/17/25/60/386172560.db2.gz XIFFNPRRHJPJGR-VHSXEESVSA-N 1 3 241.339 0.001 20 0 BCADHO C[C@@H](C(=O)N(C)[C@@H]1CN2CCC1CC2)[C@H](C)[NH3+] ZINC000310136365 386135018 /nfs/dbraw/zinc/13/50/18/386135018.db2.gz ZNPSZYOBXJFWRT-JFGNBEQYSA-N 1 3 239.363 0.522 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310136364 386135895 /nfs/dbraw/zinc/13/58/95/386135895.db2.gz ZNPSZYOBXJFWRT-JBLDHEPKSA-N 1 3 239.363 0.522 20 0 BCADHO COC[C@H](O)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000338781530 386138718 /nfs/dbraw/zinc/13/87/18/386138718.db2.gz CBZNCOGBESDYJS-GFCCVEGCSA-N 1 3 244.379 0.846 20 0 BCADHO CCCN(CC(=O)NC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414700658 386206883 /nfs/dbraw/zinc/20/68/83/386206883.db2.gz ZQAYSWPENXAVQV-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)[C@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414702225 386207051 /nfs/dbraw/zinc/20/70/51/386207051.db2.gz UVUORUODCMBLLM-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414702225 386207054 /nfs/dbraw/zinc/20/70/54/386207054.db2.gz UVUORUODCMBLLM-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)[C@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414702222 386208963 /nfs/dbraw/zinc/20/89/63/386208963.db2.gz UVUORUODCMBLLM-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414702222 386208965 /nfs/dbraw/zinc/20/89/65/386208965.db2.gz UVUORUODCMBLLM-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO COC[C@@](C)(CCO)[NH2+]C[C@@H](N)CC(C)C ZINC000414707002 386217456 /nfs/dbraw/zinc/21/74/56/386217456.db2.gz LYUVOJLXFQOUKI-NWDGAFQWSA-N 1 3 232.368 0.737 20 0 BCADHO CNC(=O)CCC[N@H+](C)C[C@@H](N)CC(C)C ZINC000414712976 386230891 /nfs/dbraw/zinc/23/08/91/386230891.db2.gz VBDLAOYUVYQIPN-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CNC(=O)CCC[N@@H+](C)C[C@@H](N)CC(C)C ZINC000414712976 386230895 /nfs/dbraw/zinc/23/08/95/386230895.db2.gz VBDLAOYUVYQIPN-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO C[C@@H]1[C@H](C)SCCN1CCN1CC[NH2+]CC1 ZINC000132419451 386234559 /nfs/dbraw/zinc/23/45/59/386234559.db2.gz VRNGDZONYRYKGI-NEPJUHHUSA-N 1 3 243.420 0.717 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@H](C)[NH3+])CCN1 ZINC000309408497 386242119 /nfs/dbraw/zinc/24/21/19/386242119.db2.gz IGKXBEILNVYLRB-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO COc1ccccc1[C@@H]1CNCCN1CCC[NH3+] ZINC000414734829 386294063 /nfs/dbraw/zinc/29/40/63/386294063.db2.gz LGFPDYZLFUXZBI-ZDUSSCGKSA-N 1 3 249.358 0.990 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392883 386297368 /nfs/dbraw/zinc/29/73/68/386297368.db2.gz LPNMIOROEZAXCS-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO Cc1nc([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988410 386302468 /nfs/dbraw/zinc/30/24/68/386302468.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1n[nH]c([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647988410 386302474 /nfs/dbraw/zinc/30/24/74/386302474.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1nnc([C@@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988410 386302481 /nfs/dbraw/zinc/30/24/81/386302481.db2.gz FWXPFLOVJSKIIA-NWDGAFQWSA-N 1 3 249.362 0.902 20 0 BCADHO C[C@@H]1NCCN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H]1C ZINC000331942070 386309346 /nfs/dbraw/zinc/30/93/46/386309346.db2.gz XRXGWSJEGLIOLS-QXEWZRGKSA-N 1 3 240.351 0.116 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004611 386318798 /nfs/dbraw/zinc/31/87/98/386318798.db2.gz XPUDXSLXMNLPDD-WOPDTQHZSA-N 1 3 239.363 0.809 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004611 386318802 /nfs/dbraw/zinc/31/88/02/386318802.db2.gz XPUDXSLXMNLPDD-WOPDTQHZSA-N 1 3 239.363 0.809 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CC2(C)COC2)C1 ZINC000336649913 386263560 /nfs/dbraw/zinc/26/35/60/386263560.db2.gz RXGGHPSCJXAOCW-LLVKDONJSA-N 1 3 212.337 0.906 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000339134249 386264934 /nfs/dbraw/zinc/26/49/34/386264934.db2.gz UCGCEPAXYKLIEY-NXEZZACHSA-N 1 3 215.341 0.297 20 0 BCADHO CCN(CC)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416301640 386267495 /nfs/dbraw/zinc/26/74/95/386267495.db2.gz MAXJIQBLNDRNDI-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN(C)CC(=O)NCCCC[NH3+] ZINC000309534493 386275981 /nfs/dbraw/zinc/27/59/81/386275981.db2.gz FBBHSHMFSPHTJD-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO C[C@H](C[NH3+])NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417552222 386356278 /nfs/dbraw/zinc/35/62/78/386356278.db2.gz QCOKGDODENEEMZ-RKDXNWHRSA-N 1 3 228.340 0.116 20 0 BCADHO OCCCOC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647889965 386362475 /nfs/dbraw/zinc/36/24/75/386362475.db2.gz CASCRKBJJSAOBE-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO C[C@H]1CC2(CN1CC(=O)N(C)C)CC[NH2+]CC2 ZINC000335275610 386336100 /nfs/dbraw/zinc/33/61/00/386336100.db2.gz CMWVWTXAKASYJN-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)NCC[NH3+] ZINC000417584948 386420627 /nfs/dbraw/zinc/42/06/27/386420627.db2.gz NTAXNTVVEHGLFH-JTQLQIEISA-N 1 3 228.340 0.119 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])N(C)C ZINC000228608980 386424275 /nfs/dbraw/zinc/42/42/75/386424275.db2.gz ZRTNETCKATYCIT-VGMNWLOBSA-N 1 3 201.314 0.036 20 0 BCADHO CC[N@H+](CCOCCO)CC[C@H]1CCCN1C ZINC000336713924 386429675 /nfs/dbraw/zinc/42/96/75/386429675.db2.gz RXEPSRLZVBSJGZ-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000519402956 386429851 /nfs/dbraw/zinc/42/98/51/386429851.db2.gz MGPLAEDULRTXIL-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CC[N@@H+](CCOCCO)CC[C@H]1CCCN1C ZINC000336713924 386429681 /nfs/dbraw/zinc/42/96/81/386429681.db2.gz RXEPSRLZVBSJGZ-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO C[N@H+](CCO)C1CCN(C[C@@H]2CCOC2)CC1 ZINC000336712913 386430857 /nfs/dbraw/zinc/43/08/57/386430857.db2.gz RYJWWSARINWKTN-LBPRGKRZSA-N 1 3 242.363 0.411 20 0 BCADHO C[N@@H+](CCO)C1CCN(C[C@@H]2CCOC2)CC1 ZINC000336712913 386430860 /nfs/dbraw/zinc/43/08/60/386430860.db2.gz RYJWWSARINWKTN-LBPRGKRZSA-N 1 3 242.363 0.411 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CCNC[C@@](C)(F)C1 ZINC000414766187 386432507 /nfs/dbraw/zinc/43/25/07/386432507.db2.gz DHLRTJIYFUWXCI-NWDGAFQWSA-N 1 3 231.359 0.993 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)CC[NH3+] ZINC000417014263 386433591 /nfs/dbraw/zinc/43/35/91/386433591.db2.gz DAVHNOMKCOOKIG-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000417276324 386468002 /nfs/dbraw/zinc/46/80/02/386468002.db2.gz DOLXLPBYFCKDPS-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000417284876 386472966 /nfs/dbraw/zinc/47/29/66/386472966.db2.gz KLBVFHNUYLTPPD-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000417284979 386473789 /nfs/dbraw/zinc/47/37/89/386473789.db2.gz KUNOOZNLAPPUAP-QWRGUYRKSA-N 1 3 242.367 0.363 20 0 BCADHO NC1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000335425498 386477955 /nfs/dbraw/zinc/47/79/55/386477955.db2.gz XSBXOKFOEAOEEJ-VHSXEESVSA-N 1 3 223.320 0.078 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000417632821 386478251 /nfs/dbraw/zinc/47/82/51/386478251.db2.gz XIWYZYKOGBENLU-RKDXNWHRSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335430629 386487065 /nfs/dbraw/zinc/48/70/65/386487065.db2.gz SKFAHXYKUKJJMS-JOYOIKCWSA-N 1 3 233.315 0.418 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377349 386492871 /nfs/dbraw/zinc/49/28/71/386492871.db2.gz BHOKXCBSAUAUJT-GHMZBOCLSA-N 1 3 241.379 0.866 20 0 BCADHO NC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000335442283 386501468 /nfs/dbraw/zinc/50/14/68/386501468.db2.gz FLKQKRRKNMWFEO-ZJUUUORDSA-N 1 3 223.320 0.221 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113082 386502172 /nfs/dbraw/zinc/50/21/72/386502172.db2.gz ANLZIXNSLIBXMF-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000519601098 386505359 /nfs/dbraw/zinc/50/53/59/386505359.db2.gz NGWZIHYIMRLKFZ-UTUOFQBUSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H](CN[C@@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC000336754835 386526132 /nfs/dbraw/zinc/52/61/32/386526132.db2.gz XIUDMTXVXCPLBG-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](C[NH2+][C@@H](C)CC(N)=O)CN1CCCC1 ZINC000336754835 386526140 /nfs/dbraw/zinc/52/61/40/386526140.db2.gz XIUDMTXVXCPLBG-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645164 386526716 /nfs/dbraw/zinc/52/67/16/386526716.db2.gz KWQDRHCPSQJVEI-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO COCC(C)(C)C[NH2+]C[C@H]1CNCCCO1 ZINC000415039921 386526962 /nfs/dbraw/zinc/52/69/62/386526962.db2.gz NLOPGEYHXSQTPZ-LLVKDONJSA-N 1 3 230.352 0.627 20 0 BCADHO COCC(C)(C)CNC[C@H]1C[NH2+]CCCO1 ZINC000415039921 386526964 /nfs/dbraw/zinc/52/69/64/386526964.db2.gz NLOPGEYHXSQTPZ-LLVKDONJSA-N 1 3 230.352 0.627 20 0 BCADHO Cc1ccncc1CNCCCN1CC[NH2+]CC1 ZINC000414786615 386527156 /nfs/dbraw/zinc/52/71/56/386527156.db2.gz XJYREUMJQMXZSV-UHFFFAOYSA-N 1 3 248.374 0.775 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000335416558 386584526 /nfs/dbraw/zinc/58/45/26/386584526.db2.gz HOJKBKFDTAFJFX-AAEUAGOBSA-N 1 3 245.326 0.433 20 0 BCADHO CCN1CCCC[C@H]1CN[C@@H]1CC[NH2+]C1 ZINC000415081779 386598416 /nfs/dbraw/zinc/59/84/16/386598416.db2.gz NLBICQBYPBNGLB-NEPJUHHUSA-N 1 3 211.353 0.812 20 0 BCADHO CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519703084 386536711 /nfs/dbraw/zinc/53/67/11/386536711.db2.gz DUWAQSCVJSRLLC-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519703084 386536716 /nfs/dbraw/zinc/53/67/16/386536716.db2.gz DUWAQSCVJSRLLC-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417681832 386537393 /nfs/dbraw/zinc/53/73/93/386537393.db2.gz KDYCPSHGSCQPFA-ZJUUUORDSA-N 1 3 240.351 0.117 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417690161 386555725 /nfs/dbraw/zinc/55/57/25/386555725.db2.gz UMKVYFSOOMPBBS-NXEZZACHSA-N 1 3 240.351 0.260 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417690162 386558121 /nfs/dbraw/zinc/55/81/21/386558121.db2.gz UMKVYFSOOMPBBS-UWVGGRQHSA-N 1 3 240.351 0.260 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000335405883 386563220 /nfs/dbraw/zinc/56/32/20/386563220.db2.gz JKFPRTNMMRCHQN-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCCCNC1 ZINC000415071722 386564575 /nfs/dbraw/zinc/56/45/75/386564575.db2.gz UJQPGRBXPIJPSR-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@]1(C(=O)NC2CCC([NH3+])CC2)CCCCN1 ZINC000136125749 386569049 /nfs/dbraw/zinc/56/90/49/386569049.db2.gz GZIQRNMRAXCQBD-GCZXYKMCSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000070582620 386571390 /nfs/dbraw/zinc/57/13/90/386571390.db2.gz ROMJXFPKZMEMHX-MWLCHTKSSA-N 1 3 225.336 0.276 20 0 BCADHO CO[C@@H](CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C1CC1 ZINC000644932532 386629223 /nfs/dbraw/zinc/62/92/23/386629223.db2.gz GUJYLDLFINXGTO-XQQFMLRXSA-N 1 3 224.348 0.905 20 0 BCADHO CO[C@@H](CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C1CC1 ZINC000644932532 386629225 /nfs/dbraw/zinc/62/92/25/386629225.db2.gz GUJYLDLFINXGTO-XQQFMLRXSA-N 1 3 224.348 0.905 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000335507092 386638632 /nfs/dbraw/zinc/63/86/32/386638632.db2.gz KEKQWLBXMPIOJS-DTWKUNHWSA-N 1 3 211.309 0.111 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575457 386647170 /nfs/dbraw/zinc/64/71/70/386647170.db2.gz OLNNWSVGLFXAIT-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942807 386647615 /nfs/dbraw/zinc/64/76/15/386647615.db2.gz SKWZOSIVWFMXHE-VHSXEESVSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942807 386647622 /nfs/dbraw/zinc/64/76/22/386647622.db2.gz SKWZOSIVWFMXHE-VHSXEESVSA-N 1 3 211.309 0.030 20 0 BCADHO O=C(C[NH2+]CC1CC1)NCCN1CCCCC1 ZINC000049575448 386647567 /nfs/dbraw/zinc/64/75/67/386647567.db2.gz BXWVXHISBVAKRU-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO C[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942808 386648955 /nfs/dbraw/zinc/64/89/55/386648955.db2.gz SKWZOSIVWFMXHE-UWVGGRQHSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942808 386648959 /nfs/dbraw/zinc/64/89/59/386648959.db2.gz SKWZOSIVWFMXHE-UWVGGRQHSA-N 1 3 211.309 0.030 20 0 BCADHO NC[C@@H]1c2ccccc2CCN1C(=O)NCC[NH3+] ZINC000335488560 386605230 /nfs/dbraw/zinc/60/52/30/386605230.db2.gz VJZGWHPPWDHECO-GFCCVEGCSA-N 1 3 248.330 0.213 20 0 BCADHO CCCN(C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000428126470 386663679 /nfs/dbraw/zinc/66/36/79/386663679.db2.gz BXGLSZHNAUNFHR-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000128882078 386664675 /nfs/dbraw/zinc/66/46/75/386664675.db2.gz ONVDALDOLUPRJY-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000062972606 386665827 /nfs/dbraw/zinc/66/58/27/386665827.db2.gz RNWQBLBLRWLBGO-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCC1([NH3+])CCCCC1 ZINC000520404804 386668216 /nfs/dbraw/zinc/66/82/16/386668216.db2.gz TWMYADIZWXBUKK-MRVPVSSYSA-N 1 3 249.305 0.747 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000335519926 386656938 /nfs/dbraw/zinc/65/69/38/386656938.db2.gz BVJIJTUZAUFFQA-MNOVXSKESA-N 1 3 225.336 0.276 20 0 BCADHO [NH3+]CCOCCN1CCC(c2cc[nH]n2)CC1 ZINC000357069116 386710983 /nfs/dbraw/zinc/71/09/83/386710983.db2.gz HFLWONPLVRWPGP-UHFFFAOYSA-N 1 3 238.335 0.564 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335475368 386698312 /nfs/dbraw/zinc/69/83/12/386698312.db2.gz AGSWKFKPNUXHAS-ZYHUDNBSSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335475340 386698927 /nfs/dbraw/zinc/69/89/27/386698927.db2.gz AGSWKFKPNUXHAS-JQWIXIFHSA-N 1 3 225.336 0.311 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000520579482 386700436 /nfs/dbraw/zinc/70/04/36/386700436.db2.gz YKVASIWJKWPNFE-UHFFFAOYSA-N 1 3 235.287 0.456 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476541 386701192 /nfs/dbraw/zinc/70/11/92/386701192.db2.gz CYRIANXMVJSMDN-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)CCCNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000336649002 386702242 /nfs/dbraw/zinc/70/22/42/386702242.db2.gz CVMWYGXUTQPIQJ-MNOVXSKESA-N 1 3 200.326 0.593 20 0 BCADHO CC(C)CCCNC[C@@H]1C[NH2+]C[C@H]1O ZINC000336648998 386702379 /nfs/dbraw/zinc/70/23/79/386702379.db2.gz CVMWYGXUTQPIQJ-GHMZBOCLSA-N 1 3 200.326 0.593 20 0 BCADHO CC(C)([NH3+])CN1CCNC[C@@](C)(F)C1 ZINC000335481430 386706216 /nfs/dbraw/zinc/70/62/16/386706216.db2.gz RXRHDNORXGGZOF-SNVBAGLBSA-N 1 3 203.305 0.357 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400719 386707243 /nfs/dbraw/zinc/70/72/43/386707243.db2.gz YINMLHVUXWVWFM-GFCCVEGCSA-N 1 3 241.379 0.737 20 0 BCADHO CC[C@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000269260660 386732127 /nfs/dbraw/zinc/73/21/27/386732127.db2.gz VNDVEHAONHEKRH-ZDUSSCGKSA-N 1 3 249.358 0.972 20 0 BCADHO C[NH+]1CCC(CCNC(=O)C2(N)CC2)CC1 ZINC000122177669 386739773 /nfs/dbraw/zinc/73/97/73/386739773.db2.gz IHJZVGSPEUYPHP-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CN(C)CCN(C)CCC[NH2+]Cc1cc[nH]c1 ZINC000623087743 386722672 /nfs/dbraw/zinc/72/26/72/386722672.db2.gz GOMOHSGZMZQZCT-UHFFFAOYSA-N 1 3 238.379 0.988 20 0 BCADHO CN(C)CCN(C)CCC[NH2+]CC1(C)COC1 ZINC000623088030 386722690 /nfs/dbraw/zinc/72/26/90/386722690.db2.gz TVJZNMHJFPEHJQ-UHFFFAOYSA-N 1 3 243.395 0.496 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645105482 386724738 /nfs/dbraw/zinc/72/47/38/386724738.db2.gz RLXZMFGTWBLDPX-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526689 386725082 /nfs/dbraw/zinc/72/50/82/386725082.db2.gz VLQBLWGWXGIIGA-CYBMUJFWSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000044761374 386728572 /nfs/dbraw/zinc/72/85/72/386728572.db2.gz NHXTUYAIIHBEJO-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000357237133 386744812 /nfs/dbraw/zinc/74/48/12/386744812.db2.gz GHOKVZJMNQAXNP-GXFFZTMASA-N 1 3 247.342 0.727 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000357237192 386746365 /nfs/dbraw/zinc/74/63/65/386746365.db2.gz GLJXOUUQGGNGHB-ZYHUDNBSSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357319922 386759959 /nfs/dbraw/zinc/75/99/59/386759959.db2.gz YJUCRSIBSRLXBD-MDZLAQPJSA-N 1 3 241.379 0.829 20 0 BCADHO CCC[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357354514 386766319 /nfs/dbraw/zinc/76/63/19/386766319.db2.gz OCAYILQQKWKLAS-QWRGUYRKSA-N 1 3 227.352 0.844 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@H](C)C[NH3+] ZINC000417831127 386791049 /nfs/dbraw/zinc/79/10/49/386791049.db2.gz KCIWLYXVDGVVEH-MFKMUULPSA-N 1 3 249.358 0.960 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417810883 386791293 /nfs/dbraw/zinc/79/12/93/386791293.db2.gz IZQUPTVJIHVSSF-KKOKHZNYSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C[C@@H]1C[NH3+] ZINC000417837323 386795759 /nfs/dbraw/zinc/79/57/59/386795759.db2.gz MDZDPBHWZUCWTH-OUAUKWLOSA-N 1 3 241.379 0.803 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCCN1 ZINC000019410010 386778658 /nfs/dbraw/zinc/77/86/58/386778658.db2.gz LLCZNYYPOICZCT-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000417812606 386782184 /nfs/dbraw/zinc/78/21/84/386782184.db2.gz PVRZPUMMMGLRCP-IEBDPFPHSA-N 1 3 225.336 0.228 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H]1NCCCC1(C)C ZINC000417808504 386787356 /nfs/dbraw/zinc/78/73/56/386787356.db2.gz JSZTURGBTNQWEH-SNVBAGLBSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000417808626 386787894 /nfs/dbraw/zinc/78/78/94/386787894.db2.gz ADQISNLIDYJBOQ-WYUUTHIRSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000417837965 386796755 /nfs/dbraw/zinc/79/67/55/386796755.db2.gz MXYONBZWVJSVEI-WISYIIOYSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1NCCCC1(C)C ZINC000417805979 386788553 /nfs/dbraw/zinc/78/85/53/386788553.db2.gz IBSLZUCCPOJHFN-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418000673 386817515 /nfs/dbraw/zinc/81/75/15/386817515.db2.gz JRPMIOZISLCSCU-VWYCJHECSA-N 1 3 242.367 0.506 20 0 BCADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)CN ZINC000417841855 386800783 /nfs/dbraw/zinc/80/07/83/386800783.db2.gz UIXDTHSCUOYRJX-NSHDSACASA-N 1 3 221.304 0.324 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H](C(C)C)N(C)C ZINC000638517275 386803601 /nfs/dbraw/zinc/80/36/01/386803601.db2.gz QEOAXAOPCPLWKI-SNVBAGLBSA-N 1 3 215.341 0.380 20 0 BCADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH3+])CCCN1C ZINC000417995307 386803747 /nfs/dbraw/zinc/80/37/47/386803747.db2.gz DCIWVOPFYACCMP-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO C[NH2+]CCNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000417857007 386804495 /nfs/dbraw/zinc/80/44/95/386804495.db2.gz NOEKMZYIMGUQQZ-ZJUUUORDSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1NCCCC1(C)C)[C@H](C)[NH3+] ZINC000417859253 386804579 /nfs/dbraw/zinc/80/45/79/386804579.db2.gz VXPASFQRDMKGIO-AEJSXWLSSA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417849937 386808679 /nfs/dbraw/zinc/80/86/79/386808679.db2.gz WVQOYZMUBYLSIT-USZNOCQGSA-N 1 3 241.379 0.803 20 0 BCADHO O=C(CC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000366555132 386830788 /nfs/dbraw/zinc/83/07/88/386830788.db2.gz LWTRRCGOTYCSRF-QWRGUYRKSA-N 1 3 243.326 0.192 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH+](C)C ZINC000293636936 386852714 /nfs/dbraw/zinc/85/27/14/386852714.db2.gz DCLBTXGFDVCAKC-VIFPVBQESA-N 1 3 238.335 0.575 20 0 BCADHO CN(C)C1(CNC(=O)N[C@@H]2CC[NH2+]C2)CCC1 ZINC000331596490 386875343 /nfs/dbraw/zinc/87/53/43/386875343.db2.gz NKRJBRDJNKLPMO-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418010090 386882736 /nfs/dbraw/zinc/88/27/36/386882736.db2.gz VKDUBHXCHAPSGW-GMTAPVOTSA-N 1 3 242.367 0.376 20 0 BCADHO FC1(F)CCNC[C@@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000334844035 386890765 /nfs/dbraw/zinc/89/07/65/386890765.db2.gz BURSQSGVYIIHMJ-ZJUUUORDSA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CCNC[C@H]1NCC1CC[NH2+]CC1 ZINC000334849168 386898601 /nfs/dbraw/zinc/89/86/01/386898601.db2.gz VOSKHENXSVDKIV-SNVBAGLBSA-N 1 3 233.306 0.573 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000336739778 386899306 /nfs/dbraw/zinc/89/93/06/386899306.db2.gz LSAKFAQYUPCAPF-HLTSFMKQSA-N 1 3 231.365 0.015 20 0 BCADHO FC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000334851515 386900924 /nfs/dbraw/zinc/90/09/24/386900924.db2.gz DCEIMOAHLXXWMF-NSHDSACASA-N 1 3 216.300 0.656 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418012780 386905851 /nfs/dbraw/zinc/90/58/51/386905851.db2.gz YKNSVOBQXYXWLB-UTLUCORTSA-N 1 3 228.340 0.116 20 0 BCADHO c1ccc2c(c1)CCN[C@@H]2CN[C@H]1CC[NH2+]C1 ZINC000334818491 386947160 /nfs/dbraw/zinc/94/71/60/386947160.db2.gz JOTZQHALVRXGOP-GXTWGEPZSA-N 1 3 231.343 0.825 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCCN1C ZINC000418013788 386921551 /nfs/dbraw/zinc/92/15/51/386921551.db2.gz ZQPVRIPNUXOEKC-GMTAPVOTSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCNCC1 ZINC000331905870 386924230 /nfs/dbraw/zinc/92/42/30/386924230.db2.gz RZEWAVGKCPWZSL-NSHDSACASA-N 1 3 242.367 0.365 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000331946097 386929194 /nfs/dbraw/zinc/92/91/94/386929194.db2.gz IBBKIMCHLSUESY-GARJFASQSA-N 1 3 225.336 0.357 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368104197 386942138 /nfs/dbraw/zinc/94/21/38/386942138.db2.gz CKZWEUFBNMBPNI-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000332163860 386964423 /nfs/dbraw/zinc/96/44/23/386964423.db2.gz RPBOLKMHRFIDTL-VWYCJHECSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@]1(F)CCNC1 ZINC000368453515 386974835 /nfs/dbraw/zinc/97/48/35/386974835.db2.gz KPUSQIHRWAEXBN-ONGXEEELSA-N 1 3 231.315 0.144 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334916599 386992601 /nfs/dbraw/zinc/99/26/01/386992601.db2.gz CPWZPUGBSKHNME-GHMZBOCLSA-N 1 3 240.351 0.213 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCCN2C)C1 ZINC000334920886 386997573 /nfs/dbraw/zinc/99/75/73/386997573.db2.gz BOFFHYPHPRCRNU-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO CC[NH+](CC)CCNC(=O)C(N)C(F)(F)F ZINC000353033064 386999699 /nfs/dbraw/zinc/99/96/99/386999699.db2.gz XNROTHYXSHKJFH-ZETCQYMHSA-N 1 3 241.257 0.334 20 0 BCADHO CC[NH+](CC)CCNC(=O)C(N)C(F)(F)F ZINC000353033063 387000155 /nfs/dbraw/zinc/00/01/55/387000155.db2.gz XNROTHYXSHKJFH-SSDOTTSWSA-N 1 3 241.257 0.334 20 0 BCADHO CC1(C)CN(C(=O)N[C@@H](C[NH3+])C2CC2)CCN1 ZINC000334927431 387001221 /nfs/dbraw/zinc/00/12/21/387001221.db2.gz CESXMBKPUVUJKZ-JTQLQIEISA-N 1 3 240.351 0.117 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368704030 387005657 /nfs/dbraw/zinc/00/56/57/387005657.db2.gz MTUYSEYHJLCXFH-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO [NH3+][C@H](CNC(=O)[C@H]1CNCCC1(F)F)C1CC1 ZINC000648106319 387031554 /nfs/dbraw/zinc/03/15/54/387031554.db2.gz YTVZHOYIPHHECE-RKDXNWHRSA-N 1 3 247.289 0.085 20 0 BCADHO [NH3+][C@@H](C(=O)NCCN1CCCC1)C1CCC1 ZINC000398980469 387033242 /nfs/dbraw/zinc/03/32/42/387033242.db2.gz DWAGEZMSICDEOH-LLVKDONJSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000334955433 387033669 /nfs/dbraw/zinc/03/36/69/387033669.db2.gz HKKKUMSLGKGDEF-QWRGUYRKSA-N 1 3 242.367 0.317 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCC[C@H]1N ZINC000333463042 387037449 /nfs/dbraw/zinc/03/74/49/387037449.db2.gz GXDDRVLYHLVQBV-FDYHWXHSSA-N 1 3 241.379 0.613 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463042 387037452 /nfs/dbraw/zinc/03/74/52/387037452.db2.gz GXDDRVLYHLVQBV-FDYHWXHSSA-N 1 3 241.379 0.613 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000334964680 387045041 /nfs/dbraw/zinc/04/50/41/387045041.db2.gz AHSPFDNLNHNWJR-QWRGUYRKSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000648107551 387046208 /nfs/dbraw/zinc/04/62/08/387046208.db2.gz GUDNLQWZXTUCGZ-HTQZYQBOSA-N 1 3 235.278 0.085 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCCN1 ZINC000161995861 387046843 /nfs/dbraw/zinc/04/68/43/387046843.db2.gz IGIHOGLBEDLOEK-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C1(N)Cc2ccccc2C1 ZINC000648107412 387047515 /nfs/dbraw/zinc/04/75/15/387047515.db2.gz NCVYVHLORPMTMS-SNVBAGLBSA-N 1 3 247.342 0.336 20 0 BCADHO C[C@H]([NH3+])CN1CCNC[C@@H]1c1ccccc1 ZINC000334966919 387049294 /nfs/dbraw/zinc/04/92/94/387049294.db2.gz HGMQSSXRDRGWDT-WCQYABFASA-N 1 3 219.332 0.980 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCCN1 ZINC000161995752 387049519 /nfs/dbraw/zinc/04/95/19/387049519.db2.gz IGIHOGLBEDLOEK-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000648107801 387050035 /nfs/dbraw/zinc/05/00/35/387050035.db2.gz PSEYPGBKYJDIRI-ZJUUUORDSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)NC[C@@H]2C)CC[N@@H+]1C ZINC000648108009 387051678 /nfs/dbraw/zinc/05/16/78/387051678.db2.gz LGPUMLHALRWNFM-WRWGMCAJSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)NC[C@@H]2C)CC[N@H+]1C ZINC000648108009 387051684 /nfs/dbraw/zinc/05/16/84/387051684.db2.gz LGPUMLHALRWNFM-WRWGMCAJSA-N 1 3 239.363 0.535 20 0 BCADHO COCC[C@H](C)N1CCCO[C@@H](C[NH3+])C1 ZINC000313388940 387052386 /nfs/dbraw/zinc/05/23/86/387052386.db2.gz LWLHCIULHGENBD-QWRGUYRKSA-N 1 3 216.325 0.461 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)C1CCC1 ZINC000399067465 387052730 /nfs/dbraw/zinc/05/27/30/387052730.db2.gz KXVKBTOANLNVCB-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)C1CCC1 ZINC000399067465 387052733 /nfs/dbraw/zinc/05/27/33/387052733.db2.gz KXVKBTOANLNVCB-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399067466 387053698 /nfs/dbraw/zinc/05/36/98/387053698.db2.gz KXVKBTOANLNVCB-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399067466 387053700 /nfs/dbraw/zinc/05/37/00/387053700.db2.gz KXVKBTOANLNVCB-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333810372 387057614 /nfs/dbraw/zinc/05/76/14/387057614.db2.gz JDQJEGYGZHZDOA-AXFHLTTASA-N 1 3 240.351 0.130 20 0 BCADHO CCN(CCNC(=O)[C@@H](C[NH3+])C(C)C)C1CC1 ZINC000228005538 387060091 /nfs/dbraw/zinc/06/00/91/387060091.db2.gz ZBRUFVQGOSWMBF-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000334934370 387011002 /nfs/dbraw/zinc/01/10/02/387011002.db2.gz APCOAERMMSLTSL-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000368806467 387011295 /nfs/dbraw/zinc/01/12/95/387011295.db2.gz NZPVEXIRFFKWPM-PWSUYJOCSA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)N(C)CC(=O)NCCC[NH+](C)C ZINC000358784214 387013310 /nfs/dbraw/zinc/01/33/10/387013310.db2.gz CUTJDWSGOZGOFO-UHFFFAOYSA-N 1 3 215.341 0.395 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000333296315 387026936 /nfs/dbraw/zinc/02/69/36/387026936.db2.gz PKSSICGZWHCOKN-HOSYDEDBSA-N 1 3 237.347 0.467 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398949786 387027738 /nfs/dbraw/zinc/02/77/38/387027738.db2.gz BHHWLVGBIVJJMF-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH+](C)C)N(C)C ZINC000359252734 387074407 /nfs/dbraw/zinc/07/44/07/387074407.db2.gz QULTVJCYTMHKBU-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000127131432 387078549 /nfs/dbraw/zinc/07/85/49/387078549.db2.gz HKOHWBUYNKXXKS-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000127131432 387078554 /nfs/dbraw/zinc/07/85/54/387078554.db2.gz HKOHWBUYNKXXKS-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)N(C)C ZINC000186764301 387131152 /nfs/dbraw/zinc/13/11/52/387131152.db2.gz HXJJMZZILBCUDG-GFCCVEGCSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000370158364 387094756 /nfs/dbraw/zinc/09/47/56/387094756.db2.gz FMCHKZOETMXOMY-VWYCJHECSA-N 1 3 225.336 0.180 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370304256 387107344 /nfs/dbraw/zinc/10/73/44/387107344.db2.gz XKWDHAUCPGLCGX-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370304256 387107353 /nfs/dbraw/zinc/10/73/53/387107353.db2.gz XKWDHAUCPGLCGX-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNC(=O)C1CC1 ZINC000160685476 387112108 /nfs/dbraw/zinc/11/21/08/387112108.db2.gz PFQSKAOCHLLXNK-VXGBXAGGSA-N 1 3 239.363 0.620 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685476 387112112 /nfs/dbraw/zinc/11/21/12/387112112.db2.gz PFQSKAOCHLLXNK-VXGBXAGGSA-N 1 3 239.363 0.620 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNC(=O)C1CC1 ZINC000160685344 387112259 /nfs/dbraw/zinc/11/22/59/387112259.db2.gz PFQSKAOCHLLXNK-NEPJUHHUSA-N 1 3 239.363 0.620 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000160685344 387112261 /nfs/dbraw/zinc/11/22/61/387112261.db2.gz PFQSKAOCHLLXNK-NEPJUHHUSA-N 1 3 239.363 0.620 20 0 BCADHO CCC[NH2+]CCN[C@H]1CN(CC)C[C@@H]1C ZINC000423313496 387151078 /nfs/dbraw/zinc/15/10/78/387151078.db2.gz ULYKANSQSRJLDP-RYUDHWBXSA-N 1 3 213.369 0.916 20 0 BCADHO CCC[NH2+]CCN[C@H]1CN(CC)C[C@H]1C ZINC000423313494 387151169 /nfs/dbraw/zinc/15/11/69/387151169.db2.gz ULYKANSQSRJLDP-NEPJUHHUSA-N 1 3 213.369 0.916 20 0 BCADHO C[NH+](C)CCCNC(=O)C[C@@H]1CSCCN1 ZINC000085612662 387158010 /nfs/dbraw/zinc/15/80/10/387158010.db2.gz OWEYPKWDPICNQG-SNVBAGLBSA-N 1 3 245.392 0.149 20 0 BCADHO CCN1C[C@H]([NH2+]C[C@@H](N)C2CC2)[C@@H](C)C1 ZINC000423327480 387169838 /nfs/dbraw/zinc/16/98/38/387169838.db2.gz RQMYRDWBKZLCRY-WCQGTBRESA-N 1 3 211.353 0.654 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232242 387176342 /nfs/dbraw/zinc/17/63/42/387176342.db2.gz RJCCOINWTYFPAV-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CCN(C)CCNC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062904266 387180218 /nfs/dbraw/zinc/18/02/18/387180218.db2.gz KDXYLTGZXGGHFV-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)c1ccc2c(c1)CNC2 ZINC000336354048 387183965 /nfs/dbraw/zinc/18/39/65/387183965.db2.gz TWUMMJSFUQPITH-SECBINFHSA-N 1 3 233.315 0.709 20 0 BCADHO O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000062972897 387189054 /nfs/dbraw/zinc/18/90/54/387189054.db2.gz KWEGNWOREFLAKH-NEPJUHHUSA-N 1 3 237.347 0.435 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972442 387189958 /nfs/dbraw/zinc/18/99/58/387189958.db2.gz YYUFRSWATSGNFV-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000062972898 387190327 /nfs/dbraw/zinc/19/03/27/387190327.db2.gz KWEGNWOREFLAKH-RYUDHWBXSA-N 1 3 237.347 0.435 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973200 387190733 /nfs/dbraw/zinc/19/07/33/387190733.db2.gz HIUVRCMQLZLMNT-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062972976 387190745 /nfs/dbraw/zinc/19/07/45/387190745.db2.gz WTKALDNDVBOZDB-NXEZZACHSA-N 1 3 211.309 0.030 20 0 BCADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH3+] ZINC000418101076 387132942 /nfs/dbraw/zinc/13/29/42/387132942.db2.gz QXSFHFMQQXEJGA-SNVBAGLBSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](C[NH3+])CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423305003 387138927 /nfs/dbraw/zinc/13/89/27/387138927.db2.gz ZXECVMNEDAPHCW-GMTAPVOTSA-N 1 3 211.353 0.796 20 0 BCADHO CN(CCNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423355988 387207135 /nfs/dbraw/zinc/20/71/35/387207135.db2.gz GEVRAAUKUBIVQW-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@@H](Cn1cncn1)NCC[C@H]1CCC[NH2+]1 ZINC000423357477 387208497 /nfs/dbraw/zinc/20/84/97/387208497.db2.gz ICOATZZRDABEFJ-NWDGAFQWSA-N 1 3 237.351 0.788 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](N)C(C)C)C(C)C ZINC000353581742 387233720 /nfs/dbraw/zinc/23/37/20/387233720.db2.gz NPRCCJKQXXMPLC-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](N)C(C)C)C(C)C ZINC000353581742 387233726 /nfs/dbraw/zinc/23/37/26/387233726.db2.gz NPRCCJKQXXMPLC-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO CC[NH2+][C@H](C)CN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423399508 387234885 /nfs/dbraw/zinc/23/48/85/387234885.db2.gz WHJOXRMGOQRFGA-RTXFEEFZSA-N 1 3 241.379 0.341 20 0 BCADHO CCN(CCNC(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000423399130 387235065 /nfs/dbraw/zinc/23/50/65/387235065.db2.gz PKKGOISBCVLPLV-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)C1CCC1)C(C)C ZINC000423406814 387244450 /nfs/dbraw/zinc/24/44/50/387244450.db2.gz VCHUCMZVRGHTEI-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)C1CCC1)C(C)C ZINC000423406814 387244456 /nfs/dbraw/zinc/24/44/56/387244456.db2.gz VCHUCMZVRGHTEI-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO COC[C@]1(C[NH2+][C@@H](C)[C@H]2CCCO2)CCCN1 ZINC000423422871 387251026 /nfs/dbraw/zinc/25/10/26/387251026.db2.gz ZIZCFOBBZGDCQN-YNEHKIRRSA-N 1 3 242.363 0.912 20 0 BCADHO CO[C@H](CN)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000353423828 387198599 /nfs/dbraw/zinc/19/85/99/387198599.db2.gz DQQFZMQWZUBZRP-NXEZZACHSA-N 1 3 245.367 0.053 20 0 BCADHO COC[C@H]([NH2+]C[C@]1(COC)CCCN1)C1CC1 ZINC000423426670 387252428 /nfs/dbraw/zinc/25/24/28/387252428.db2.gz NHBXVZFXCKLBOG-STQMWFEESA-N 1 3 242.363 0.770 20 0 BCADHO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CCN(C)CC1 ZINC000648110296 387254810 /nfs/dbraw/zinc/25/48/10/387254810.db2.gz PARGJNWEBBNYSV-GDNZZTSVSA-N 1 3 237.347 0.004 20 0 BCADHO C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)N(C)C1CC1 ZINC000423385499 387268759 /nfs/dbraw/zinc/26/87/59/387268759.db2.gz QVAWMYLEFDQWGM-BREBYQMCSA-N 1 3 237.347 0.337 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000645684831 387269664 /nfs/dbraw/zinc/26/96/64/387269664.db2.gz HXSZYMGTOBRFEL-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000372120824 387274337 /nfs/dbraw/zinc/27/43/37/387274337.db2.gz FZEPYGMGLSBVQH-WDEREUQCSA-N 1 3 231.315 0.178 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000372121695 387274642 /nfs/dbraw/zinc/27/46/42/387274642.db2.gz OYMMPONIAXBYOT-GFCCVEGCSA-N 1 3 245.342 0.536 20 0 BCADHO CC[NH2+][C@H](C)CN[C@H]1CN(CC)C[C@@H]1C ZINC000423393109 387279318 /nfs/dbraw/zinc/27/93/18/387279318.db2.gz YKHMKAONZRRYIN-TUAOUCFPSA-N 1 3 213.369 0.914 20 0 BCADHO CC[NH2+]CCCN[C@@H](C)Cn1cccn1 ZINC000643499074 387283540 /nfs/dbraw/zinc/28/35/40/387283540.db2.gz QOQOUEKBZHLVPO-NSHDSACASA-N 1 3 210.325 0.861 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1NC[C@H]1C[NH2+]C[C@H]1O ZINC000423438555 387288586 /nfs/dbraw/zinc/28/85/86/387288586.db2.gz VAUPXQNCFWQKOJ-QNWHQSFQSA-N 1 3 242.363 0.362 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNC[C@H]1O ZINC000423438555 387288588 /nfs/dbraw/zinc/28/85/88/387288588.db2.gz VAUPXQNCFWQKOJ-QNWHQSFQSA-N 1 3 242.363 0.362 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCCO[C@@H]21 ZINC000423442722 387292751 /nfs/dbraw/zinc/29/27/51/387292751.db2.gz VHBBRRSNZFPSGO-WTHWOGDNSA-N 1 3 236.359 0.997 20 0 BCADHO CN(C(=O)[C@H]1[NH2+]CC1(C)C)C1CCN(C)CC1 ZINC000648110346 387300346 /nfs/dbraw/zinc/30/03/46/387300346.db2.gz ULPAMNNQXFAULD-LLVKDONJSA-N 1 3 239.363 0.537 20 0 BCADHO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1 ZINC000372426069 387300966 /nfs/dbraw/zinc/30/09/66/387300966.db2.gz LDILGYWTRVJOLG-USZNOCQGSA-N 1 3 237.347 0.609 20 0 BCADHO COCC[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423453099 387301501 /nfs/dbraw/zinc/30/15/01/387301501.db2.gz IVHIEWAJPITYDJ-BNDIWNMDSA-N 1 3 224.348 0.999 20 0 BCADHO CCC[NH2+]CCNC(=O)C12CCCN1CCC2 ZINC000423455200 387301904 /nfs/dbraw/zinc/30/19/04/387301904.db2.gz DWMNDMZGLLUIJQ-UHFFFAOYSA-N 1 3 239.363 0.731 20 0 BCADHO [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1 ZINC000372426074 387302403 /nfs/dbraw/zinc/30/24/03/387302403.db2.gz LDILGYWTRVJOLG-WRWGMCAJSA-N 1 3 237.347 0.609 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C12CCCN1CCC2 ZINC000423455639 387303305 /nfs/dbraw/zinc/30/33/05/387303305.db2.gz MSLFVDCDTFOTRA-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000121186889 387307247 /nfs/dbraw/zinc/30/72/47/387307247.db2.gz JDDLDFKYRSGJOJ-LBPRGKRZSA-N 1 3 239.363 0.633 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000423530287 387358915 /nfs/dbraw/zinc/35/89/15/387358915.db2.gz YTHMCPWGTZDFCU-YNEHKIRRSA-N 1 3 241.379 0.295 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000515311276 387359452 /nfs/dbraw/zinc/35/94/52/387359452.db2.gz FOWHEZLIKXBIJG-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCCCN1 ZINC000643502231 387362946 /nfs/dbraw/zinc/36/29/46/387362946.db2.gz AQBZTJKMRCHJHK-AGIUHOORSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@H]1COCCN1)NC[C@@H]1CCCC[NH2+]1 ZINC000643502231 387362950 /nfs/dbraw/zinc/36/29/50/387362950.db2.gz AQBZTJKMRCHJHK-AGIUHOORSA-N 1 3 241.379 0.485 20 0 BCADHO CC[NH2+]CCCNC(=O)N(C)CCN(C)C ZINC000515342054 387368005 /nfs/dbraw/zinc/36/80/05/387368005.db2.gz PKLJKJOTRQOQFV-UHFFFAOYSA-N 1 3 230.356 0.189 20 0 BCADHO CC[C@@H](NC[C@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423543981 387368337 /nfs/dbraw/zinc/36/83/37/387368337.db2.gz CASCHKNQZHBCDB-UTUOFQBUSA-N 1 3 227.352 0.095 20 0 BCADHO CCC[C@H](C(=O)NCC1=CC[NH2+]CC1)N(C)C ZINC000423544311 387368882 /nfs/dbraw/zinc/36/88/82/387368882.db2.gz IOGQEXLKSPVECA-GFCCVEGCSA-N 1 3 239.363 0.753 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC)N(C)C ZINC000423603763 387384661 /nfs/dbraw/zinc/38/46/61/387384661.db2.gz HQGGTCIFJQFLIC-GHMZBOCLSA-N 1 3 229.368 0.831 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000515384688 387373800 /nfs/dbraw/zinc/37/38/00/387373800.db2.gz UFKSMQILXPLYPP-RKDXNWHRSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@@H](N[C@H]1CNCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473883 387319595 /nfs/dbraw/zinc/31/95/95/387319595.db2.gz GYIYMBHUGIFJHO-BBBLOLIVSA-N 1 3 233.306 0.714 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000372775967 387325497 /nfs/dbraw/zinc/32/54/97/387325497.db2.gz KIVZPSAROWJEEN-GVXVVHGQSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000423483816 387329759 /nfs/dbraw/zinc/32/97/59/387329759.db2.gz RRONOWMVPUMXDN-VWYCJHECSA-N 1 3 247.333 0.913 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000423483816 387329762 /nfs/dbraw/zinc/32/97/62/387329762.db2.gz RRONOWMVPUMXDN-VWYCJHECSA-N 1 3 247.333 0.913 20 0 BCADHO CCC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000423488882 387333871 /nfs/dbraw/zinc/33/38/71/387333871.db2.gz ZJFQOXBVALFXOR-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000423491726 387335314 /nfs/dbraw/zinc/33/53/14/387335314.db2.gz ZQUIJEAQTKVJKX-OUAUKWLOSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@H](NC[C@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490849 387335448 /nfs/dbraw/zinc/33/54/48/387335448.db2.gz IQTVEXQFSUPROK-KXNHARMFSA-N 1 3 212.337 0.999 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373044961 387342241 /nfs/dbraw/zinc/34/22/41/387342241.db2.gz WKMULWYUMIRXKP-LOWVWBTDSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C(C)(C)C[NH3+] ZINC000423849538 387433421 /nfs/dbraw/zinc/43/34/21/387433421.db2.gz PIMHOILRHZSGNF-UHFFFAOYSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N(C)CCN(C)C1CC1 ZINC000423845197 387434359 /nfs/dbraw/zinc/43/43/59/387434359.db2.gz KBFWPIKVJHDQIE-LBPRGKRZSA-N 1 3 241.379 0.770 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000423845656 387435466 /nfs/dbraw/zinc/43/54/66/387435466.db2.gz KNTLADRVHUEUBZ-ZDUSSCGKSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N(C)CCN(C)C1CC1 ZINC000423848639 387435683 /nfs/dbraw/zinc/43/56/83/387435683.db2.gz OHAMXVCXXVNHSU-JTQLQIEISA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N(C)CCN(C)C1CC1 ZINC000423848641 387435748 /nfs/dbraw/zinc/43/57/48/387435748.db2.gz OHAMXVCXXVNHSU-SNVBAGLBSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)CCN(C)C1CC1 ZINC000423856004 387437202 /nfs/dbraw/zinc/43/72/02/387437202.db2.gz XVQMHFXLSQNOJO-SECBINFHSA-N 1 3 213.325 0.276 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000423855440 387437804 /nfs/dbraw/zinc/43/78/04/387437804.db2.gz XDQMMDZVLJUPOH-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423945352 387456118 /nfs/dbraw/zinc/45/61/18/387456118.db2.gz AUTPTHBJPDMCCY-SNVBAGLBSA-N 1 3 229.368 0.816 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423954547 387458284 /nfs/dbraw/zinc/45/82/84/387458284.db2.gz KIJBKHLSMUAXRK-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423976627 387459521 /nfs/dbraw/zinc/45/95/21/387459521.db2.gz MUUULFZPJUAAIS-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)N(C)C ZINC000423656293 387390902 /nfs/dbraw/zinc/39/09/02/387390902.db2.gz WLLPFVALYMUTSL-OUAUKWLOSA-N 1 3 227.352 0.521 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423656639 387391566 /nfs/dbraw/zinc/39/15/66/387391566.db2.gz XICAELQFNMYBCA-QJPTWQEYSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H]1C)N(C)C ZINC000423656294 387391785 /nfs/dbraw/zinc/39/17/85/387391785.db2.gz WLLPFVALYMUTSL-VWYCJHECSA-N 1 3 227.352 0.521 20 0 BCADHO CCC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N(C)C ZINC000423672545 387393350 /nfs/dbraw/zinc/39/33/50/387393350.db2.gz DXGFDVUGDCWNES-LPEHRKFASA-N 1 3 215.341 0.569 20 0 BCADHO CSCC[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000083360388 387404664 /nfs/dbraw/zinc/40/46/64/387404664.db2.gz YCIQSPQPNPYCAK-SECBINFHSA-N 1 3 233.381 0.135 20 0 BCADHO COCCN(CCN(C)C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423750627 387409753 /nfs/dbraw/zinc/40/97/53/387409753.db2.gz XWSMLRWXWXDIII-GHMZBOCLSA-N 1 3 245.367 0.006 20 0 BCADHO CNC[C@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000515649840 387413719 /nfs/dbraw/zinc/41/37/19/387413719.db2.gz BZXMEXFIXLDARR-NEPJUHHUSA-N 1 3 230.352 0.098 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C1(N)CC1 ZINC000423772487 387421201 /nfs/dbraw/zinc/42/12/01/387421201.db2.gz LFYCNYVSAGJYKN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(N)CC1 ZINC000423772487 387421203 /nfs/dbraw/zinc/42/12/03/387421203.db2.gz LFYCNYVSAGJYKN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CCCN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000424016990 387466899 /nfs/dbraw/zinc/46/68/99/387466899.db2.gz FEANVCVALARCGE-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC000424021900 387468598 /nfs/dbraw/zinc/46/85/98/387468598.db2.gz SECOHWCAAROUFL-NSHDSACASA-N 1 3 229.368 0.641 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@@H](C)N)cc1 ZINC000516183220 387469658 /nfs/dbraw/zinc/46/96/58/387469658.db2.gz LMSMEHPDUXWKLR-MRVPVSSYSA-N 1 3 207.277 0.692 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000424047322 387470188 /nfs/dbraw/zinc/47/01/88/387470188.db2.gz UISCCZSTPGPNRC-UTUOFQBUSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NCC[NH2+]C1CC1 ZINC000643507198 387475586 /nfs/dbraw/zinc/47/55/86/387475586.db2.gz VNVFJIJJSVVZSB-ZWNOBZJWSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424082165 387486363 /nfs/dbraw/zinc/48/63/63/387486363.db2.gz WBALTDKKHRCGQK-AXTRIDKLSA-N 1 3 233.315 0.670 20 0 BCADHO CC(C)([NH3+])CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000362274776 387590927 /nfs/dbraw/zinc/59/09/27/387590927.db2.gz FXCNMTZCCQVRFB-UHFFFAOYSA-N 1 3 248.330 0.793 20 0 BCADHO C[C@H](N)C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375937921 387594187 /nfs/dbraw/zinc/59/41/87/387594187.db2.gz MBDWBCBSGADYBA-QMMMGPOBSA-N 1 3 219.288 0.618 20 0 BCADHO CN(CCNC(=O)NC(C)(C)CC[NH3+])C1CC1 ZINC000422590611 387604325 /nfs/dbraw/zinc/60/43/25/387604325.db2.gz ASGWFYAKKSSJHJ-UHFFFAOYSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N(C)C[C@H]1CCCN1C ZINC000422603795 387604386 /nfs/dbraw/zinc/60/43/86/387604386.db2.gz ADFSFYYMYVYADX-GHMZBOCLSA-N 1 3 242.367 0.317 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)NCC(C)(C)[NH3+] ZINC000422606653 387605234 /nfs/dbraw/zinc/60/52/34/387605234.db2.gz JHKGTTTWUXQXHK-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CC[NH2+]CCNC(=O)N(C)C[C@H]1CCCN1C ZINC000422611779 387606953 /nfs/dbraw/zinc/60/69/53/387606953.db2.gz SUEGBMDYIAUBDX-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CCC[C@@H](C(=O)N1CCC[NH2+]CC1)N(C)C ZINC000422716791 387629237 /nfs/dbraw/zinc/62/92/37/387629237.db2.gz VHIAFPUBMPMZAS-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCOC[C@@H]1C ZINC000422707526 387621702 /nfs/dbraw/zinc/62/17/02/387621702.db2.gz AHJPGZFMZGQCCL-SRVKXCTJSA-N 1 3 229.368 0.423 20 0 BCADHO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422712260 387626420 /nfs/dbraw/zinc/62/64/20/387626420.db2.gz NUDKDOZLQUYEDE-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422712260 387626424 /nfs/dbraw/zinc/62/64/24/387626424.db2.gz NUDKDOZLQUYEDE-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO CC[NH+](CC)CCN1CCO[C@@H](CN(C)C)C1 ZINC000119639504 387554853 /nfs/dbraw/zinc/55/48/53/387554853.db2.gz AKXWXYDCULZNND-ZDUSSCGKSA-N 1 3 243.395 0.591 20 0 BCADHO CC(C)[C@@H](C(=O)NCCN1CCCC1)[C@H](C)[NH3+] ZINC000399694019 387565443 /nfs/dbraw/zinc/56/54/43/387565443.db2.gz YVCTXJWCOKQLDK-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]1CCNC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000422718038 387630059 /nfs/dbraw/zinc/63/00/59/387630059.db2.gz WQWFFDUFYXWYLE-RYUDHWBXSA-N 1 3 243.420 0.623 20 0 BCADHO CCN(C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422718184 387631382 /nfs/dbraw/zinc/63/13/82/387631382.db2.gz PGTNJPUUJBFXEP-NEPJUHHUSA-N 1 3 213.369 0.916 20 0 BCADHO CN(C)[C@@]1(CNC(=O)CCC[NH3+])CCSC1 ZINC000430687355 387638985 /nfs/dbraw/zinc/63/89/85/387638985.db2.gz QGFYQEGDICRGGF-LLVKDONJSA-N 1 3 245.392 0.279 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422728364 387639296 /nfs/dbraw/zinc/63/92/96/387639296.db2.gz FYRFVDFOVVCCTO-NWDGAFQWSA-N 1 3 241.379 0.880 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCN1CCOCC1 ZINC000422735623 387642822 /nfs/dbraw/zinc/64/28/22/387642822.db2.gz WJKBNCBPLXCSDR-CHWSQXEVSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@@H+]1CCCC[C@H]1C ZINC000430741805 387646782 /nfs/dbraw/zinc/64/67/82/387646782.db2.gz FAWGICLFOIDAFB-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@H+]1CCCC[C@H]1C ZINC000430741805 387646786 /nfs/dbraw/zinc/64/67/86/387646786.db2.gz FAWGICLFOIDAFB-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(C2CC2)C1 ZINC000422746166 387650228 /nfs/dbraw/zinc/65/02/28/387650228.db2.gz WBVXXFJVAAEFJY-DCAQKATOSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)CC[NH3+])CCN1C ZINC000430792116 387651606 /nfs/dbraw/zinc/65/16/06/387651606.db2.gz HCKXFQYXZJCXNL-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO COCCOCCCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422793913 387695322 /nfs/dbraw/zinc/69/53/22/387695322.db2.gz XQGULAARKGCTFH-RYUDHWBXSA-N 1 3 230.352 0.627 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430890634 387657965 /nfs/dbraw/zinc/65/79/65/387657965.db2.gz RHEYCIBDLHKVTP-NEPJUHHUSA-N 1 3 239.363 0.665 20 0 BCADHO CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000430898987 387658785 /nfs/dbraw/zinc/65/87/85/387658785.db2.gz YLBWTAFKHAWYKR-LLVKDONJSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430896932 387659251 /nfs/dbraw/zinc/65/92/51/387659251.db2.gz LRKJVBATWGHPFJ-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO CN(C(=O)CCC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000430899808 387659360 /nfs/dbraw/zinc/65/93/60/387659360.db2.gz NMRFWPMFIOZUSZ-LLVKDONJSA-N 1 3 225.336 0.420 20 0 BCADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1N ZINC000422758173 387660852 /nfs/dbraw/zinc/66/08/52/387660852.db2.gz NPYYBIWORGQOPP-UTUOFQBUSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@H]1CN(CCCN2CCOCC2)CC[C@H]1[NH3+] ZINC000430919578 387661082 /nfs/dbraw/zinc/66/10/82/387661082.db2.gz LRJNCNGQJAOXFF-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCN1CCCC1 ZINC000422763902 387665626 /nfs/dbraw/zinc/66/56/26/387665626.db2.gz OBAVCOZMGFOXAG-NEPJUHHUSA-N 1 3 211.353 0.670 20 0 BCADHO CCN1CCC[C@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422769019 387667111 /nfs/dbraw/zinc/66/71/11/387667111.db2.gz ZWRAGSZWFABDRJ-JQWIXIFHSA-N 1 3 211.353 0.668 20 0 BCADHO CCN1CCC[C@@H]1CN[C@@H](C)C1C[NH2+]C1 ZINC000422769018 387667871 /nfs/dbraw/zinc/66/78/71/387667871.db2.gz ZWRAGSZWFABDRJ-CMPLNLGQSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000431025367 387669999 /nfs/dbraw/zinc/66/99/99/387669999.db2.gz YZKCFKPIIMPVKR-CKYFFXLPSA-N 1 3 237.347 0.195 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000376793977 387670111 /nfs/dbraw/zinc/67/01/11/387670111.db2.gz KICDCIIZYODGMQ-LLVKDONJSA-N 1 3 225.336 0.006 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@]1(F)CCNC1 ZINC000376789438 387670800 /nfs/dbraw/zinc/67/08/00/387670800.db2.gz HZQIXFGPDISOGU-JQWIXIFHSA-N 1 3 245.342 0.520 20 0 BCADHO CC(C)[C@H](O)CCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000422775874 387673182 /nfs/dbraw/zinc/67/31/82/387673182.db2.gz BPRQMRBBPXOSKF-GRYCIOLGSA-N 1 3 214.353 0.981 20 0 BCADHO COCCCN(C)CCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000422786193 387686611 /nfs/dbraw/zinc/68/66/11/387686611.db2.gz SIOUCYMWYWSUHG-CHWSQXEVSA-N 1 3 243.395 0.685 20 0 BCADHO C[C@@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422743551 387690211 /nfs/dbraw/zinc/69/02/11/387690211.db2.gz RSALLRSFYKULGN-MDZLAQPJSA-N 1 3 223.364 0.953 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377127292 387693437 /nfs/dbraw/zinc/69/34/37/387693437.db2.gz LVWWEKPFXDFGLK-NXQJVVEESA-N 1 3 239.363 0.759 20 0 BCADHO C[C@H](NCCN1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422862206 387743499 /nfs/dbraw/zinc/74/34/99/387743499.db2.gz PISMDUHMYFMUJG-NEPJUHHUSA-N 1 3 225.380 0.916 20 0 BCADHO CCC[C@@H](C(=O)NCC(C)(C)[NH3+])N(C)C ZINC000422874820 387752224 /nfs/dbraw/zinc/75/22/24/387752224.db2.gz DHNFZGCZSUZSPJ-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO N[C@H](CNC(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC000422800125 387699161 /nfs/dbraw/zinc/69/91/61/387699161.db2.gz AVLLDPBSLJXBQL-GFCCVEGCSA-N 1 3 247.342 0.932 20 0 BCADHO CCN(CCN[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000422877289 387755054 /nfs/dbraw/zinc/75/50/54/387755054.db2.gz HRODADAHPSUIOR-JTQLQIEISA-N 1 3 211.353 0.668 20 0 BCADHO CC[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)N(C)C ZINC000629614129 387712683 /nfs/dbraw/zinc/71/26/83/387712683.db2.gz YLKNJMDSERSADW-YZRBJQDESA-N 1 3 225.336 0.195 20 0 BCADHO COC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127336492 387713024 /nfs/dbraw/zinc/71/30/24/387713024.db2.gz VQLCFBYGTNJVSP-GRYCIOLGSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127336492 387713028 /nfs/dbraw/zinc/71/30/28/387713028.db2.gz VQLCFBYGTNJVSP-GRYCIOLGSA-N 1 3 230.352 0.408 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000629613828 387714598 /nfs/dbraw/zinc/71/45/98/387714598.db2.gz UBBVGHIJGSEMAL-GARJFASQSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCn1cccn1 ZINC000422815714 387715510 /nfs/dbraw/zinc/71/55/10/387715510.db2.gz YDJLBKTUAMATON-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCCn1cccn1 ZINC000422815713 387715581 /nfs/dbraw/zinc/71/55/81/387715581.db2.gz YDJLBKTUAMATON-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO CCC[C@H](C(=O)NC[C@H](C)C[NH2+]C)N(C)C ZINC000422832746 387726843 /nfs/dbraw/zinc/72/68/43/387726843.db2.gz VNLROTGQJGVOEP-GHMZBOCLSA-N 1 3 229.368 0.688 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000424142531 387733830 /nfs/dbraw/zinc/73/38/30/387733830.db2.gz YKHXNEBCUBMROU-XWLWVQCSSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424142531 387733835 /nfs/dbraw/zinc/73/38/35/387733835.db2.gz YKHXNEBCUBMROU-XWLWVQCSSA-N 1 3 223.320 0.077 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1N ZINC000422876879 387755878 /nfs/dbraw/zinc/75/58/78/387755878.db2.gz QVUUYRYAZREPTG-XEZLXBQYSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCC[C@H]1[NH3+] ZINC000422876879 387755882 /nfs/dbraw/zinc/75/58/82/387755882.db2.gz QVUUYRYAZREPTG-XEZLXBQYSA-N 1 3 223.364 0.939 20 0 BCADHO COCCN(C)CCC[NH2+][C@@H]1CNCC[C@H]1C ZINC000422848133 387735325 /nfs/dbraw/zinc/73/53/25/387735325.db2.gz SNPJDISCMZKOBH-CHWSQXEVSA-N 1 3 243.395 0.542 20 0 BCADHO CO[C@@H]1C[C@@H](N[C@@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854300 387737833 /nfs/dbraw/zinc/73/78/33/387737833.db2.gz UAPMQDTVCKMHNY-JMJZKYOTSA-N 1 3 212.337 0.997 20 0 BCADHO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CNC2)C1(C)C ZINC000422854300 387737837 /nfs/dbraw/zinc/73/78/37/387737837.db2.gz UAPMQDTVCKMHNY-JMJZKYOTSA-N 1 3 212.337 0.997 20 0 BCADHO CCN(CCN[C@H](C)C1C[NH2+]C1)C1CC1 ZINC000422877399 387756102 /nfs/dbraw/zinc/75/61/02/387756102.db2.gz HRODADAHPSUIOR-SNVBAGLBSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H](NC[C@@H]1CCCN1C)[C@H]1CCC[NH2+]1 ZINC000422897770 387765073 /nfs/dbraw/zinc/76/50/73/387765073.db2.gz CSTRFOWYWHOWTK-GRYCIOLGSA-N 1 3 211.353 0.811 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000422904538 387767549 /nfs/dbraw/zinc/76/75/49/387767549.db2.gz GXMACHKFKSENJC-NWDGAFQWSA-N 1 3 229.368 0.152 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CNCC[C@@H]1C ZINC000422904539 387767791 /nfs/dbraw/zinc/76/77/91/387767791.db2.gz GXMACHKFKSENJC-RYUDHWBXSA-N 1 3 229.368 0.152 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378182641 387769114 /nfs/dbraw/zinc/76/91/14/387769114.db2.gz LJRXDNHZQCQWJQ-FIOVSDBCSA-N 1 3 239.363 0.903 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCN1C ZINC000422908558 387769395 /nfs/dbraw/zinc/76/93/95/387769395.db2.gz YQJDENBXVDVLJQ-WOPDTQHZSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378171361 387769392 /nfs/dbraw/zinc/76/93/92/387769392.db2.gz WNLXVBWULPQHRT-VWYCJHECSA-N 1 3 225.336 0.323 20 0 BCADHO CO[C@H](C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422908126 387770063 /nfs/dbraw/zinc/77/00/63/387770063.db2.gz YEZOYEGRLXVDIG-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO N[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914402 387771244 /nfs/dbraw/zinc/77/12/44/387771244.db2.gz UABNHEPFSWZRCE-STQMWFEESA-N 1 3 247.342 0.886 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000441626729 387772523 /nfs/dbraw/zinc/77/25/23/387772523.db2.gz JHBMYABFDCWNIX-PWSUYJOCSA-N 1 3 235.331 0.267 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH3+])N(CC)CC ZINC000441628515 387774398 /nfs/dbraw/zinc/77/43/98/387774398.db2.gz RCEYBPQYVINNBZ-WDEREUQCSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCn1cccn1 ZINC000422985198 387796651 /nfs/dbraw/zinc/79/66/51/387796651.db2.gz CNJYKVDHKAJHHY-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H](N[C@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992518 387800105 /nfs/dbraw/zinc/80/01/05/387800105.db2.gz CUVBFSVVSJPAQN-KOLCDFICSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)C1CNC1 ZINC000422992518 387800107 /nfs/dbraw/zinc/80/01/07/387800107.db2.gz CUVBFSVVSJPAQN-KOLCDFICSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694827 387800350 /nfs/dbraw/zinc/80/03/50/387800350.db2.gz GEVYUZODZZZQRQ-AGVGLQIMSA-N 1 3 227.352 0.746 20 0 BCADHO COCCN1CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000422882204 387757972 /nfs/dbraw/zinc/75/79/72/387757972.db2.gz ANSOPOXLIDFQHJ-AVGNSLFASA-N 1 3 241.379 0.424 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000422882204 387757977 /nfs/dbraw/zinc/75/79/77/387757977.db2.gz ANSOPOXLIDFQHJ-AVGNSLFASA-N 1 3 241.379 0.424 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@@H](C)C[C@H](C)[NH3+] ZINC000422974952 387823641 /nfs/dbraw/zinc/82/36/41/387823641.db2.gz FSYFIDVNRPTAIY-AATLWQCWSA-N 1 3 220.382 0.814 20 0 BCADHO C[C@H]1CN(C)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537373 387874860 /nfs/dbraw/zinc/87/48/60/387874860.db2.gz GGAHJMNPXJNKJY-XWLWVQCSSA-N 1 3 215.316 0.226 20 0 BCADHO CC(C)[C@](C)(O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422975780 387827127 /nfs/dbraw/zinc/82/71/27/387827127.db2.gz HGYYRCZODYCSJJ-GARJFASQSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@H](CCO)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423007387 387830078 /nfs/dbraw/zinc/83/00/78/387830078.db2.gz QPFLKGQDLBDNEW-MXWKQRLJSA-N 1 3 200.326 0.593 20 0 BCADHO CN(C(=O)[C@@H]1C[C@@H]1N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424157962 387831763 /nfs/dbraw/zinc/83/17/63/387831763.db2.gz SCKZMHXUEIUDEL-PVJAMZLWSA-N 1 3 223.320 0.075 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2CCCC(=O)N2)CC1 ZINC000433093814 387864716 /nfs/dbraw/zinc/86/47/16/387864716.db2.gz VYWZAAYVSUTSAJ-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CN(C)C1(C[NH2+][C@H]2CCC[C@H]2N)CCC1 ZINC000423057672 387865671 /nfs/dbraw/zinc/86/56/71/387865671.db2.gz HVQDPAMVTMEUKK-MNOVXSKESA-N 1 3 211.353 0.940 20 0 BCADHO CC[C@@H]1CN(C[C@H](C)[NH3+])CCN1CCOC ZINC000442654353 387815009 /nfs/dbraw/zinc/81/50/09/387815009.db2.gz BFIHYMWILKSGTA-NWDGAFQWSA-N 1 3 229.368 0.376 20 0 BCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156093 387819769 /nfs/dbraw/zinc/81/97/69/387819769.db2.gz NPCGNOMNAUYSND-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424182518 387897983 /nfs/dbraw/zinc/89/79/83/387897983.db2.gz UHLBTXGTJKXQRC-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCC[NH2+]1 ZINC000643538227 387877688 /nfs/dbraw/zinc/87/76/88/387877688.db2.gz BWCWPKMHJBVJDL-YFKTTZPYSA-N 1 3 229.343 0.807 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538884 387877737 /nfs/dbraw/zinc/87/77/37/387877737.db2.gz YTZPZLUHGZFJNE-VPOLOUISSA-N 1 3 215.316 0.274 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538885 387878555 /nfs/dbraw/zinc/87/85/55/387878555.db2.gz YTZPZLUHGZFJNE-XWLWVQCSSA-N 1 3 215.316 0.274 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000157864284 387879933 /nfs/dbraw/zinc/87/99/33/387879933.db2.gz BZLFGZOCQVVPIX-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236685858 387899787 /nfs/dbraw/zinc/89/97/87/387899787.db2.gz BPTKAAPABVDFSM-KJLIAQIISA-N 1 3 239.363 0.759 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236677552 387900070 /nfs/dbraw/zinc/90/00/70/387900070.db2.gz XLIJOURZFNUKBU-VHSXEESVSA-N 1 3 227.352 0.557 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000423154220 387931484 /nfs/dbraw/zinc/93/14/84/387931484.db2.gz IWHUPDQEDUYTPX-OUAUKWLOSA-N 1 3 227.352 0.631 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000237236476 387924853 /nfs/dbraw/zinc/92/48/53/387924853.db2.gz XRKJRGDSOPNWSJ-ZDUSSCGKSA-N 1 3 249.358 0.495 20 0 BCADHO C[C@H](CN1CCOCC1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424289017 387953320 /nfs/dbraw/zinc/95/33/20/387953320.db2.gz LGALZKRWFAUBSS-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]([NH3+])CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000645802829 387940561 /nfs/dbraw/zinc/94/05/61/387940561.db2.gz RIGWEIMDDGAJRX-SECBINFHSA-N 1 3 239.323 0.121 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)NCCNc1ccncc1 ZINC000645642079 387948461 /nfs/dbraw/zinc/94/84/61/387948461.db2.gz FYJWHPGCMUYSCS-LLVKDONJSA-N 1 3 248.330 0.031 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000070582622 387963088 /nfs/dbraw/zinc/96/30/88/387963088.db2.gz ROMJXFPKZMEMHX-KOLCDFICSA-N 1 3 225.336 0.276 20 0 BCADHO COc1ccc(C[C@@H](C)[NH2+]CCCN)cn1 ZINC000423196014 387981527 /nfs/dbraw/zinc/98/15/27/387981527.db2.gz UHNWYOCBXJZMIZ-SNVBAGLBSA-N 1 3 223.320 0.960 20 0 BCADHO COc1ccc(C[C@@H](C)NCCC[NH3+])cn1 ZINC000423196014 387981530 /nfs/dbraw/zinc/98/15/30/387981530.db2.gz UHNWYOCBXJZMIZ-SNVBAGLBSA-N 1 3 223.320 0.960 20 0 BCADHO CNC(=O)[C@H](C)CN(C)CC[C@H]1CCC[N@@H+]1C ZINC000245695537 387973324 /nfs/dbraw/zinc/97/33/24/387973324.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)CN(C)CC[C@H]1CCC[N@H+]1C ZINC000245695537 387973328 /nfs/dbraw/zinc/97/33/28/387973328.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000245695537 387973331 /nfs/dbraw/zinc/97/33/31/387973331.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000245695537 387973334 /nfs/dbraw/zinc/97/33/34/387973334.db2.gz QTDUDCQSQJPJMQ-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]CCCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423201266 387987929 /nfs/dbraw/zinc/98/79/29/387987929.db2.gz OGSCVBBTMPMLRY-GHMZBOCLSA-N 1 3 211.353 0.811 20 0 BCADHO FC1(F)CNCC[C@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000424364194 387990072 /nfs/dbraw/zinc/99/00/72/387990072.db2.gz DBFFKPOVKTZIID-MNOVXSKESA-N 1 3 247.333 0.820 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+]C[C@@H]1CCCNC1 ZINC000424364194 387990076 /nfs/dbraw/zinc/99/00/76/387990076.db2.gz DBFFKPOVKTZIID-MNOVXSKESA-N 1 3 247.333 0.820 20 0 BCADHO CO[C@H](C)[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000423204703 387990246 /nfs/dbraw/zinc/99/02/46/387990246.db2.gz DKIDIZYCENBQPT-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423204703 387990250 /nfs/dbraw/zinc/99/02/50/387990250.db2.gz DKIDIZYCENBQPT-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424367508 387992934 /nfs/dbraw/zinc/99/29/34/387992934.db2.gz MKBUPARVWNXPLY-GMTAPVOTSA-N 1 3 248.392 0.669 20 0 BCADHO C[C@H]1CN(C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424370985 387996910 /nfs/dbraw/zinc/99/69/10/387996910.db2.gz FLPMIKUPOMHMRF-IRCOFANPSA-N 1 3 211.353 0.796 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000156617159 388008746 /nfs/dbraw/zinc/00/87/46/388008746.db2.gz WEVZKWFKILNGDC-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CCN1C ZINC000446369818 388016339 /nfs/dbraw/zinc/01/63/39/388016339.db2.gz OQVMXYUGNLLGJF-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415508 388016714 /nfs/dbraw/zinc/01/67/14/388016714.db2.gz VNIVRVVQKYSUAU-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415508 388016717 /nfs/dbraw/zinc/01/67/17/388016717.db2.gz VNIVRVVQKYSUAU-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C(N[C@H](C1CC1)[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423234639 388019234 /nfs/dbraw/zinc/01/92/34/388019234.db2.gz MFNJDYAXWDZQRA-RWMBFGLXSA-N 1 3 239.363 0.095 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]2)C1 ZINC000423244459 388027930 /nfs/dbraw/zinc/02/79/30/388027930.db2.gz XNZPYUYKRNKLMG-SDDRHHMPSA-N 1 3 211.353 0.668 20 0 BCADHO C[NH2+]CCN[C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423249468 388031497 /nfs/dbraw/zinc/03/14/97/388031497.db2.gz SEHQMCXGAJOIEV-OUAUKWLOSA-N 1 3 228.336 0.773 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)O[C@H]1C ZINC000423273861 388053260 /nfs/dbraw/zinc/05/32/60/388053260.db2.gz LJHARLDLDJPFJF-ZRUFSTJUSA-N 1 3 200.326 0.997 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@@H](C)C[NH2+]C)C1 ZINC000423277347 388059096 /nfs/dbraw/zinc/05/90/96/388059096.db2.gz PXLXMLBCRWYYSP-SDDRHHMPSA-N 1 3 213.369 0.772 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000083836042 388063011 /nfs/dbraw/zinc/06/30/11/388063011.db2.gz RTNKLWOMFQOBMV-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000083903357 388065082 /nfs/dbraw/zinc/06/50/82/388065082.db2.gz DNXFMMHENCIWTO-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000083903357 388065086 /nfs/dbraw/zinc/06/50/86/388065086.db2.gz DNXFMMHENCIWTO-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)N)CC1 ZINC000083889460 388065820 /nfs/dbraw/zinc/06/58/20/388065820.db2.gz PFQDAVZBYXCPCT-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H](C)C[NH3+] ZINC000423293837 388075449 /nfs/dbraw/zinc/07/54/49/388075449.db2.gz AVWZBVQWWSKIQY-GHMZBOCLSA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)CN ZINC000423293837 388075452 /nfs/dbraw/zinc/07/54/52/388075452.db2.gz AVWZBVQWWSKIQY-GHMZBOCLSA-N 1 3 229.368 0.818 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000085368461 388086530 /nfs/dbraw/zinc/08/65/30/388086530.db2.gz MOBNGBUJBDDESE-IJLUTSLNSA-N 1 3 237.347 0.420 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000085975891 388097326 /nfs/dbraw/zinc/09/73/26/388097326.db2.gz TVRGTDWJLTVNKT-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447914269 388102384 /nfs/dbraw/zinc/10/23/84/388102384.db2.gz OSFHEUMKXGXGKL-UPJWGTAASA-N 1 3 242.363 0.600 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1CCN(CCOC)C1 ZINC000423267082 388045822 /nfs/dbraw/zinc/04/58/22/388045822.db2.gz DUETVWZLYXVYGM-NWDGAFQWSA-N 1 3 229.368 0.152 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423271183 388050019 /nfs/dbraw/zinc/05/00/19/388050019.db2.gz IRJGQDYYSFBWSX-GMXVVIOVSA-N 1 3 225.380 0.914 20 0 BCADHO COCCN1CC[C@@H]([NH2+]C[C@H](N)C(C)C)C1 ZINC000423271319 388050179 /nfs/dbraw/zinc/05/01/79/388050179.db2.gz IXZQUKPQMSZSPU-NEPJUHHUSA-N 1 3 229.368 0.280 20 0 BCADHO COCCN1CC[C@@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423271319 388050180 /nfs/dbraw/zinc/05/01/80/388050180.db2.gz IXZQUKPQMSZSPU-NEPJUHHUSA-N 1 3 229.368 0.280 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000449332434 388174121 /nfs/dbraw/zinc/17/41/21/388174121.db2.gz DGVGQMOLYPHVRL-NXEZZACHSA-N 1 3 215.341 0.441 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000449332437 388174606 /nfs/dbraw/zinc/17/46/06/388174606.db2.gz DGVGQMOLYPHVRL-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N(C)C1CC1 ZINC000645906573 388123458 /nfs/dbraw/zinc/12/34/58/388123458.db2.gz SZUFQVJYMMEFJI-KOLCDFICSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000646012030 388124192 /nfs/dbraw/zinc/12/41/92/388124192.db2.gz DWWTVHCCYSAQQK-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)C[NH2+]C ZINC000646012184 388124251 /nfs/dbraw/zinc/12/42/51/388124251.db2.gz HWOUBTCSVUVGDH-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](C)N(C)C ZINC000454644931 388127414 /nfs/dbraw/zinc/12/74/14/388127414.db2.gz OTHZPEJWLSNBMF-QWRGUYRKSA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@H]1NCC1(C)C ZINC000646050464 388133213 /nfs/dbraw/zinc/13/32/13/388133213.db2.gz GELFEZSPJHNGSV-SECBINFHSA-N 1 3 227.352 0.489 20 0 BCADHO CCCN(C(=O)[C@H](C)NC1CC1)[C@H]1CC[NH2+]C1 ZINC000449105721 388142931 /nfs/dbraw/zinc/14/29/31/388142931.db2.gz FFEVMAFBZGNBGM-JQWIXIFHSA-N 1 3 239.363 0.727 20 0 BCADHO CCCN(C(=O)[C@@H](C)NC1CC1)[C@H]1CC[NH2+]C1 ZINC000449105722 388143072 /nfs/dbraw/zinc/14/30/72/388143072.db2.gz FFEVMAFBZGNBGM-PWSUYJOCSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](O)CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105846 388143843 /nfs/dbraw/zinc/14/38/43/388143843.db2.gz JRBZUKNBDPZHMS-GFCCVEGCSA-N 1 3 242.363 0.554 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](C)NC1CC1)C(C)C ZINC000449112408 388144296 /nfs/dbraw/zinc/14/42/96/388144296.db2.gz CENFHDTYMZUVOB-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](C)NC1CC1)C(C)C ZINC000449112408 388144299 /nfs/dbraw/zinc/14/42/99/388144299.db2.gz CENFHDTYMZUVOB-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000449117452 388144692 /nfs/dbraw/zinc/14/46/92/388144692.db2.gz UPHDAANRDIVGGQ-AEJSXWLSSA-N 1 3 225.336 0.336 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449119335 388145391 /nfs/dbraw/zinc/14/53/91/388145391.db2.gz YDJRYGGQAAAVLX-ONGXEEELSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(N)CCC1 ZINC000449137085 388147740 /nfs/dbraw/zinc/14/77/40/388147740.db2.gz DJKLSKXXZBLHAD-JTQLQIEISA-N 1 3 227.352 0.700 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449143634 388148160 /nfs/dbraw/zinc/14/81/60/388148160.db2.gz WZQLOQDZSYWJPS-VIFPVBQESA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NC1CC1 ZINC000449145833 388148303 /nfs/dbraw/zinc/14/83/03/388148303.db2.gz MIOVLSGITQXQTN-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000449490511 388217945 /nfs/dbraw/zinc/21/79/45/388217945.db2.gz CFJGVFYPENGYGB-CHWFTXMASA-N 1 3 225.336 0.051 20 0 BCADHO CCC[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000489519759 388220754 /nfs/dbraw/zinc/22/07/54/388220754.db2.gz YDIPJENQJNEMSG-JTQLQIEISA-N 1 3 227.352 0.892 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)CCN1 ZINC000646327571 388230149 /nfs/dbraw/zinc/23/01/49/388230149.db2.gz HIGTUOACXDCYGG-NWDGAFQWSA-N 1 3 239.363 0.442 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000449608492 388241823 /nfs/dbraw/zinc/24/18/23/388241823.db2.gz IBYGKBPGVGWQJF-DTWKUNHWSA-N 1 3 201.314 0.357 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000449629228 388245952 /nfs/dbraw/zinc/24/59/52/388245952.db2.gz FETOXZFWDVHDRG-GRYCIOLGSA-N 1 3 239.363 0.762 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449645160 388247897 /nfs/dbraw/zinc/24/78/97/388247897.db2.gz LGJPCIGXFIDRPZ-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)C/C=C/C(=O)NCCC[NH+]1CCCC1 ZINC000491842929 388324539 /nfs/dbraw/zinc/32/45/39/388324539.db2.gz HFOJXYKZHZOXKH-FNORWQNLSA-N 1 3 239.363 0.706 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000491845190 388324626 /nfs/dbraw/zinc/32/46/26/388324626.db2.gz JSCWWACGTAQLHE-IDVQTMNDSA-N 1 3 241.379 0.951 20 0 BCADHO CC[N@H+](CCNC(=O)/C=C/CN(C)C)C1CC1 ZINC000491854571 388324918 /nfs/dbraw/zinc/32/49/18/388324918.db2.gz YHDLYSWZNXAJSL-AATRIKPKSA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@@H+](CCNC(=O)/C=C/CN(C)C)C1CC1 ZINC000491854571 388324919 /nfs/dbraw/zinc/32/49/19/388324919.db2.gz YHDLYSWZNXAJSL-AATRIKPKSA-N 1 3 239.363 0.705 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000491869756 388325627 /nfs/dbraw/zinc/32/56/27/388325627.db2.gz NLIDYCWPODPNJP-HOSRBBHYSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000491869756 388325628 /nfs/dbraw/zinc/32/56/28/388325628.db2.gz NLIDYCWPODPNJP-HOSRBBHYSA-N 1 3 239.363 0.562 20 0 BCADHO C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@H]1[NH+](C)C ZINC000491901811 388326981 /nfs/dbraw/zinc/32/69/81/388326981.db2.gz CHLPSBXIRHPMDK-BYAJROORSA-N 1 3 239.363 0.513 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)/C=C/CN(C)C)C1 ZINC000491913632 388327669 /nfs/dbraw/zinc/32/76/69/388327669.db2.gz LSIKQQIYEQHZTB-ZYOFXKKJSA-N 1 3 239.363 0.562 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C/CN(C)C)C1 ZINC000491913632 388327670 /nfs/dbraw/zinc/32/76/70/388327670.db2.gz LSIKQQIYEQHZTB-ZYOFXKKJSA-N 1 3 239.363 0.562 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953451 388269157 /nfs/dbraw/zinc/26/91/57/388269157.db2.gz UPTXHVOSRLVBEX-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO [NH3+]CCCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953311 388269303 /nfs/dbraw/zinc/26/93/03/388269303.db2.gz OZUTXLCISRWAKB-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953450 388269617 /nfs/dbraw/zinc/26/96/17/388269617.db2.gz UPTXHVOSRLVBEX-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953259 388269700 /nfs/dbraw/zinc/26/97/00/388269700.db2.gz LTUOUDKUWWOSLC-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953259 388269702 /nfs/dbraw/zinc/26/97/02/388269702.db2.gz LTUOUDKUWWOSLC-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]CCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953358 388269764 /nfs/dbraw/zinc/26/97/64/388269764.db2.gz QRWNDGBHGDNRBI-LLVKDONJSA-N 1 3 225.336 0.326 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000646338360 388271591 /nfs/dbraw/zinc/27/15/91/388271591.db2.gz JYWLYSDCTGUFLT-JLLWLGSASA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646373753 388347008 /nfs/dbraw/zinc/34/70/08/388347008.db2.gz ZUQGNOOTLZFFIB-QJPTWQEYSA-N 1 3 239.363 0.572 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385112 388348712 /nfs/dbraw/zinc/34/87/12/388348712.db2.gz XISMRJJOINDUHU-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000516571131 388350201 /nfs/dbraw/zinc/35/02/01/388350201.db2.gz ONOJVSOAPALZGP-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H](CNC(=O)CC1(C[NH3+])CC1)N1CCCC1 ZINC000646408451 388351922 /nfs/dbraw/zinc/35/19/22/388351922.db2.gz QOKWAKOYYCMQGY-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000646427825 388357269 /nfs/dbraw/zinc/35/72/69/388357269.db2.gz TZNFBRWVGWAPRW-GHMZBOCLSA-N 1 3 241.379 0.912 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646523231 388374987 /nfs/dbraw/zinc/37/49/87/388374987.db2.gz SLTRHMNBSIKPKE-LLVKDONJSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)NCC(=O)NC(C)(C)CC[NH3+] ZINC000572782218 388375142 /nfs/dbraw/zinc/37/51/42/388375142.db2.gz OFUJCZAEBGWZGX-UHFFFAOYSA-N 1 3 201.314 0.228 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000646533894 388377220 /nfs/dbraw/zinc/37/72/20/388377220.db2.gz OZYWQBKVGGAZEZ-ZYHUDNBSSA-N 1 3 239.363 0.524 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000646533893 388377250 /nfs/dbraw/zinc/37/72/50/388377250.db2.gz OZYWQBKVGGAZEZ-PWSUYJOCSA-N 1 3 239.363 0.524 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NCCOCC(F)F ZINC000236162611 388378278 /nfs/dbraw/zinc/37/82/78/388378278.db2.gz VPVUMRCDPGSVQE-RKDXNWHRSA-N 1 3 222.279 0.985 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000236162611 388378279 /nfs/dbraw/zinc/37/82/79/388378279.db2.gz VPVUMRCDPGSVQE-RKDXNWHRSA-N 1 3 222.279 0.985 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236734097 388382491 /nfs/dbraw/zinc/38/24/91/388382491.db2.gz GEMXMSIMORSQGY-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CC)C1 ZINC000236762471 388382772 /nfs/dbraw/zinc/38/27/72/388382772.db2.gz LXDIVPNLXRVOGA-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)CC)C1 ZINC000236762471 388382775 /nfs/dbraw/zinc/38/27/75/388382775.db2.gz LXDIVPNLXRVOGA-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN[C@@H](C)C1 ZINC000236944171 388386490 /nfs/dbraw/zinc/38/64/90/388386490.db2.gz ZSVVSUPYOKMEHC-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646578676 388387688 /nfs/dbraw/zinc/38/76/88/388387688.db2.gz ASVMFSVRWXFZDR-SECBINFHSA-N 1 3 221.304 0.939 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)C[C@H]2CNCCO2)c1 ZINC000646579516 388388456 /nfs/dbraw/zinc/38/84/56/388388456.db2.gz YTEQNUUYRGXVAM-LBPRGKRZSA-N 1 3 249.314 0.462 20 0 BCADHO CC1(C(=O)Nc2cccc(CN)c2)C[NH2+]C1 ZINC000646579702 388389047 /nfs/dbraw/zinc/38/90/47/388389047.db2.gz NLGIRPSFXGQVBD-UHFFFAOYSA-N 1 3 219.288 0.693 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237473173 388396196 /nfs/dbraw/zinc/39/61/96/388396196.db2.gz VTBDKBMVOKAFRD-OPRDCNLKSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)(N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000335797866 388454084 /nfs/dbraw/zinc/45/40/84/388454084.db2.gz ZLPRDRWEZJMQTF-NSHDSACASA-N 1 3 213.325 0.230 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000626978485 388457496 /nfs/dbraw/zinc/45/74/96/388457496.db2.gz FPMPLMXBRVOLFI-JTQLQIEISA-N 1 3 240.351 0.213 20 0 BCADHO CCN(CC)CC(=O)NCCC[NH+](C)C ZINC000073754526 388460906 /nfs/dbraw/zinc/46/09/06/388460906.db2.gz INAFHEMHTYLUQN-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO CCN(CC)CC(=O)N(C)CC[NH+](C)C ZINC000176804829 388462480 /nfs/dbraw/zinc/46/24/80/388462480.db2.gz FTEZHZGLOKXCME-UHFFFAOYSA-N 1 3 215.341 0.348 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H]1NCC1(C)C ZINC000646689360 388417531 /nfs/dbraw/zinc/41/75/31/388417531.db2.gz PHTVMWDMGFNCEN-SNVBAGLBSA-N 1 3 227.352 0.489 20 0 BCADHO CC[C@@H](NCCc1nnc(C)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000573082336 388418989 /nfs/dbraw/zinc/41/89/89/388418989.db2.gz RJIHPGKHYZVQEC-MNOVXSKESA-N 1 3 237.351 0.776 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646699040 388420227 /nfs/dbraw/zinc/42/02/27/388420227.db2.gz WVYYVNOAHWQMPZ-UWVGGRQHSA-N 1 3 225.336 0.100 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000573121498 388422029 /nfs/dbraw/zinc/42/20/29/388422029.db2.gz FYNXSOZNDSTJRC-RWMBFGLXSA-N 1 3 242.363 0.851 20 0 BCADHO CN1CCC(O)(C[NH2+]C2CCC(O)CC2)CC1 ZINC000353531617 388541940 /nfs/dbraw/zinc/54/19/40/388541940.db2.gz VSKXJWGEJLNPMP-UHFFFAOYSA-N 1 3 242.363 0.336 20 0 BCADHO CC[C@@H](C(=O)N(C)CCC[NH3+])N(CC)CC ZINC000649273053 388483781 /nfs/dbraw/zinc/48/37/81/388483781.db2.gz BSRUDBZKICTMMB-NSHDSACASA-N 1 3 229.368 0.914 20 0 BCADHO CC[C@H](C(=O)N(C)CCC[NH3+])N(CC)CC ZINC000649273052 388484048 /nfs/dbraw/zinc/48/40/48/388484048.db2.gz BSRUDBZKICTMMB-LLVKDONJSA-N 1 3 229.368 0.914 20 0 BCADHO COC(C)(C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000340251458 388488893 /nfs/dbraw/zinc/48/88/93/388488893.db2.gz QRLBYJXKBWWKEF-LLVKDONJSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646769928 388493552 /nfs/dbraw/zinc/49/35/52/388493552.db2.gz LHTRWHPMBCRHIW-DCAQKATOSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000516928049 256807452 /nfs/dbraw/zinc/80/74/52/256807452.db2.gz DELMKURPCDPDAO-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000516925950 388524825 /nfs/dbraw/zinc/52/48/25/388524825.db2.gz PEJNQHDSPLJBDE-NXEZZACHSA-N 1 3 244.383 0.752 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000516925953 388525261 /nfs/dbraw/zinc/52/52/61/388525261.db2.gz PEJNQHDSPLJBDE-ZJUUUORDSA-N 1 3 244.383 0.752 20 0 BCADHO CN1CCC(O)(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000356676886 388550040 /nfs/dbraw/zinc/55/00/40/388550040.db2.gz DCAPUJSECTVENH-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CNCCC1(F)F)[NH+](C)C ZINC000649306076 388590803 /nfs/dbraw/zinc/59/08/03/388590803.db2.gz YTKKHKVKNUXPHT-IUCAKERBSA-N 1 3 249.305 0.298 20 0 BCADHO CCN(CC)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186732191 388602165 /nfs/dbraw/zinc/60/21/65/388602165.db2.gz UZPRXKIYMSHOOE-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO Cc1noc(CCN[C@@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000358021496 388553526 /nfs/dbraw/zinc/55/35/26/388553526.db2.gz HPKRINVWULLNNM-MWLCHTKSSA-N 1 3 238.335 0.850 20 0 BCADHO Cc1noc(CCN[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000358021496 388553530 /nfs/dbraw/zinc/55/35/30/388553530.db2.gz HPKRINVWULLNNM-MWLCHTKSSA-N 1 3 238.335 0.850 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000358125727 388553760 /nfs/dbraw/zinc/55/37/60/388553760.db2.gz IOAAQHIFLBBEKF-VXGBXAGGSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358125727 388553762 /nfs/dbraw/zinc/55/37/62/388553762.db2.gz IOAAQHIFLBBEKF-VXGBXAGGSA-N 1 3 241.379 0.688 20 0 BCADHO CCOCCC[N@@H+]1CC[C@@H](NCCO)[C@@H](C)C1 ZINC000248035674 388673327 /nfs/dbraw/zinc/67/33/27/388673327.db2.gz RMLLKKOUADGKON-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CCOCCC[N@H+]1CC[C@@H](NCCO)[C@@H](C)C1 ZINC000248035674 388673330 /nfs/dbraw/zinc/67/33/30/388673330.db2.gz RMLLKKOUADGKON-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000084420035 135249438 /nfs/dbraw/zinc/24/94/38/135249438.db2.gz OYTUXWGYZREOHX-SECBINFHSA-N 1 3 213.325 0.276 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646856981 388625908 /nfs/dbraw/zinc/62/59/08/388625908.db2.gz UROTXZJKQYRCSC-UMNHJUIQSA-N 1 3 243.351 0.079 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(CCOC)CC1 ZINC000530225955 388635947 /nfs/dbraw/zinc/63/59/47/388635947.db2.gz ZBECKBIHMYYAFG-CYBMUJFWSA-N 1 3 244.379 0.705 20 0 BCADHO CC1(N2CCOCC2)CCN(CCC[NH3+])CC1 ZINC000530231756 388636618 /nfs/dbraw/zinc/63/66/18/388636618.db2.gz LYEPHFLUBMRTMR-UHFFFAOYSA-N 1 3 241.379 0.522 20 0 BCADHO CCOC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530232439 388636978 /nfs/dbraw/zinc/63/69/78/388636978.db2.gz PCVDVVYVKVFQKK-STQMWFEESA-N 1 3 242.363 0.723 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000521876361 388638529 /nfs/dbraw/zinc/63/85/29/388638529.db2.gz ZNWHSPDKJKPYFT-DCAQKATOSA-N 1 3 227.352 0.476 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000521876360 388638972 /nfs/dbraw/zinc/63/89/72/388638972.db2.gz ZNWHSPDKJKPYFT-AXFHLTTASA-N 1 3 227.352 0.476 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222562509 388640736 /nfs/dbraw/zinc/64/07/36/388640736.db2.gz MKWXLKUBUAGUDO-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222562509 388640737 /nfs/dbraw/zinc/64/07/37/388640737.db2.gz MKWXLKUBUAGUDO-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000246923035 388654547 /nfs/dbraw/zinc/65/45/47/388654547.db2.gz KHGOLQZEOGPING-GARJFASQSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000552883095 388739557 /nfs/dbraw/zinc/73/95/57/388739557.db2.gz OYPDKUIOTVLEJI-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251349631 388747024 /nfs/dbraw/zinc/74/70/24/388747024.db2.gz MIRHUBURNMQKPO-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251349631 388747026 /nfs/dbraw/zinc/74/70/26/388747026.db2.gz MIRHUBURNMQKPO-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CCN(C)CCNC(=O)NCC[NH+](CC)CC ZINC000066987919 388726526 /nfs/dbraw/zinc/72/65/26/388726526.db2.gz KKVANIMXZDDEBN-UHFFFAOYSA-N 1 3 244.383 0.579 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C)C2)CC[N@@H+]1C ZINC000648771138 388859925 /nfs/dbraw/zinc/85/99/25/388859925.db2.gz FLYLPTJDHCHGSX-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(C)C2)CC[N@H+]1C ZINC000648771138 388859928 /nfs/dbraw/zinc/85/99/28/388859928.db2.gz FLYLPTJDHCHGSX-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564449633 388875727 /nfs/dbraw/zinc/87/57/27/388875727.db2.gz GYVUXRWIWUVIBV-SNVBAGLBSA-N 1 3 236.319 0.025 20 0 BCADHO COC(=O)CCCN[C@](C)(C[NH3+])C1CC1 ZINC000564989886 388906148 /nfs/dbraw/zinc/90/61/48/388906148.db2.gz ZGRFUAIIHKNWRQ-LLVKDONJSA-N 1 3 214.309 0.657 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C ZINC000565041281 388909834 /nfs/dbraw/zinc/90/98/34/388909834.db2.gz UUAYCROXSKJJNW-AXFHLTTASA-N 1 3 229.368 0.815 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000565302517 388936152 /nfs/dbraw/zinc/93/61/52/388936152.db2.gz KCWZGNAZNGLOBD-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO CC[C@@H]1CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000565308774 388936919 /nfs/dbraw/zinc/93/69/19/388936919.db2.gz DPHIMRIEVPMNTD-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000565308774 388936924 /nfs/dbraw/zinc/93/69/24/388936924.db2.gz DPHIMRIEVPMNTD-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@@H]1CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000565308774 388936922 /nfs/dbraw/zinc/93/69/22/388936922.db2.gz DPHIMRIEVPMNTD-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO NC1(C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000565723508 388966078 /nfs/dbraw/zinc/96/60/78/388966078.db2.gz RCSKSRQXOCHKBW-UHFFFAOYSA-N 1 3 211.309 0.065 20 0 BCADHO CN[C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000565784787 388969788 /nfs/dbraw/zinc/96/97/88/388969788.db2.gz JWBFYAXBGBUQRW-QMMMGPOBSA-N 1 3 201.314 0.228 20 0 BCADHO NC1(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000565892050 388976285 /nfs/dbraw/zinc/97/62/85/388976285.db2.gz IBWGIILRBCQHSH-UHFFFAOYSA-N 1 3 248.330 0.169 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CC1CCOCC1 ZINC000565897788 388977488 /nfs/dbraw/zinc/97/74/88/388977488.db2.gz KFKNLCQSZZGVBD-GFCCVEGCSA-N 1 3 230.352 0.315 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc2c1CCNC2 ZINC000566100259 388986728 /nfs/dbraw/zinc/98/67/28/388986728.db2.gz OVPXUNLJTHENSJ-WDEREUQCSA-N 1 3 231.299 0.618 20 0 BCADHO C[C@@H](NCC1=CCN(C)CC1)[C@H]1CCC[NH2+]1 ZINC000400560766 533364903 /nfs/dbraw/zinc/36/49/03/533364903.db2.gz HUKSSWOPPBAOOB-DGCLKSJQSA-N 1 3 223.364 0.978 20 0 BCADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CNC2 ZINC000335990082 134039702 /nfs/dbraw/zinc/03/97/02/134039702.db2.gz HCWLXDVFWAQAAK-TVQRCGJNSA-N 1 3 245.326 0.852 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCNCC1 ZINC000336005287 134048789 /nfs/dbraw/zinc/04/87/89/134048789.db2.gz NFTGNPLVSHYGKK-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO COC[C@H](C)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167604869 134152941 /nfs/dbraw/zinc/15/29/41/134152941.db2.gz SGHOMHGISUMJJO-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000167604869 134152942 /nfs/dbraw/zinc/15/29/42/134152942.db2.gz SGHOMHGISUMJJO-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000167604869 134152943 /nfs/dbraw/zinc/15/29/43/134152943.db2.gz SGHOMHGISUMJJO-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000085012745 134221576 /nfs/dbraw/zinc/22/15/76/134221576.db2.gz DMBJQQZIYCDRBZ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC1CC([NH2+]CCOCCN(C)C)C1 ZINC000219315185 134281495 /nfs/dbraw/zinc/28/14/95/134281495.db2.gz DZLWLKGUFIBCJX-UHFFFAOYSA-N 1 3 200.326 0.953 20 0 BCADHO NC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000178404827 134309497 /nfs/dbraw/zinc/30/94/97/134309497.db2.gz RYWSBJNWGNTBBE-ZACCUICWSA-N 1 3 237.347 0.657 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178601011 134312183 /nfs/dbraw/zinc/31/21/83/134312183.db2.gz LMSPWGZZNDFUBQ-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO COC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000220889663 134313156 /nfs/dbraw/zinc/31/31/56/134313156.db2.gz BHXHYJPWRNSUMI-CXQJBGSLSA-N 1 3 228.336 0.210 20 0 BCADHO CC(C)[C@H]1C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000178972239 134314075 /nfs/dbraw/zinc/31/40/75/134314075.db2.gz HAFWGRZPOVCBQR-LBPRGKRZSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000178817815 134315613 /nfs/dbraw/zinc/31/56/13/134315613.db2.gz OPVHUGYVEFBHED-RKDXNWHRSA-N 1 3 215.341 0.426 20 0 BCADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CN ZINC000178818686 134315710 /nfs/dbraw/zinc/31/57/10/134315710.db2.gz DBCOKANGHBDHIJ-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CN ZINC000178818686 134315711 /nfs/dbraw/zinc/31/57/11/134315711.db2.gz DBCOKANGHBDHIJ-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CCCN(C(=O)CN(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000178886315 134316150 /nfs/dbraw/zinc/31/61/50/134316150.db2.gz INTLEVDYOGJVKF-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH+](C)CCOCCNCc1cncs1 ZINC000226744160 134370784 /nfs/dbraw/zinc/37/07/84/134370784.db2.gz QTPWLXLFWJUZKP-UHFFFAOYSA-N 1 3 229.349 0.811 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000236753625 134834419 /nfs/dbraw/zinc/83/44/19/134834419.db2.gz WKNPBLWPMSTMNS-VHSXEESVSA-N 1 3 215.341 0.476 20 0 BCADHO CSCC[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000163606990 135011831 /nfs/dbraw/zinc/01/18/31/135011831.db2.gz JVOOZVDVLILLDH-SNVBAGLBSA-N 1 3 247.408 0.525 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000249614899 135041965 /nfs/dbraw/zinc/04/19/65/135041965.db2.gz SRCSQMGRXBSMRJ-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CCN1CCC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000250364605 135052782 /nfs/dbraw/zinc/05/27/82/135052782.db2.gz UNJCFRKZNNDVCV-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251088129 135064108 /nfs/dbraw/zinc/06/41/08/135064108.db2.gz NTRFOANFQOITMM-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251088129 135064111 /nfs/dbraw/zinc/06/41/11/135064111.db2.gz NTRFOANFQOITMM-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO COC[C@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251218324 135066489 /nfs/dbraw/zinc/06/64/89/135066489.db2.gz NXMAWUIMMWOHSA-JHJVBQTASA-N 1 3 244.379 0.894 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251769598 135076165 /nfs/dbraw/zinc/07/61/65/135076165.db2.gz MHILTEGARHRASF-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251769598 135076167 /nfs/dbraw/zinc/07/61/67/135076167.db2.gz MHILTEGARHRASF-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000252177695 135085712 /nfs/dbraw/zinc/08/57/12/135085712.db2.gz SIHOOBDCXLALAL-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000252210420 135087011 /nfs/dbraw/zinc/08/70/11/135087011.db2.gz XZMRGPZWUMIJBC-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000252210420 135087012 /nfs/dbraw/zinc/08/70/12/135087012.db2.gz XZMRGPZWUMIJBC-UPJWGTAASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000252198230 135087015 /nfs/dbraw/zinc/08/70/15/135087015.db2.gz VVILLYPXRWIEPG-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCO1 ZINC000252450803 135089628 /nfs/dbraw/zinc/08/96/28/135089628.db2.gz VILXUIVPSSVUDU-HBNTYKKESA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700620 135095473 /nfs/dbraw/zinc/09/54/73/135095473.db2.gz GFAMJCNRBUNIRK-CHWSQXEVSA-N 1 3 244.379 0.704 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252848065 135112598 /nfs/dbraw/zinc/11/25/98/135112598.db2.gz GKGTVZTYFKPGBH-SRVKXCTJSA-N 1 3 240.347 0.999 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@H]1CN ZINC000253096457 135121341 /nfs/dbraw/zinc/12/13/41/135121341.db2.gz LVPZPOVTFMCQDN-XWLWVQCSSA-N 1 3 212.337 0.863 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCC[C@H]1C[NH3+] ZINC000253096457 135121342 /nfs/dbraw/zinc/12/13/42/135121342.db2.gz LVPZPOVTFMCQDN-XWLWVQCSSA-N 1 3 212.337 0.863 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262824255 135122707 /nfs/dbraw/zinc/12/27/07/135122707.db2.gz PVESDRCXECQJCX-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO COCCC[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253250125 135125573 /nfs/dbraw/zinc/12/55/73/135125573.db2.gz VRCWCNJNNQSDDA-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO COCCC[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253250125 135125574 /nfs/dbraw/zinc/12/55/74/135125574.db2.gz VRCWCNJNNQSDDA-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO COCCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253250125 135125576 /nfs/dbraw/zinc/12/55/76/135125576.db2.gz VRCWCNJNNQSDDA-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO CCCN(CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000261528988 135155360 /nfs/dbraw/zinc/15/53/60/135155360.db2.gz YWMQCGATGJQOSN-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1CN)C1CC1 ZINC000261531196 135160206 /nfs/dbraw/zinc/16/02/06/135160206.db2.gz FPPLFZYUMVTGMB-WCQGTBRESA-N 1 3 212.337 0.864 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)C(C)C ZINC000261532473 135162440 /nfs/dbraw/zinc/16/24/40/135162440.db2.gz AITLKUFBWTZSAA-ZJUUUORDSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C ZINC000261542936 135183469 /nfs/dbraw/zinc/18/34/69/135183469.db2.gz HGSMODCCPVYXEW-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO COCC(C)(C)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261543984 135184571 /nfs/dbraw/zinc/18/45/71/135184571.db2.gz IKEBTPXFPMIZBI-PHIMTYICSA-N 1 3 212.337 0.810 20 0 BCADHO CN1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261544060 135185218 /nfs/dbraw/zinc/18/52/18/135185218.db2.gz DNYXMTAJWHBGDA-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000261543994 135185315 /nfs/dbraw/zinc/18/53/15/135185315.db2.gz DKQHHBWBCZCDTP-LBPRGKRZSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@@H]1COCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261545080 135186475 /nfs/dbraw/zinc/18/64/75/135186475.db2.gz JOKKITZUDDUNRA-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261550813 135189804 /nfs/dbraw/zinc/18/98/04/135189804.db2.gz PSSIZZBJPDSDNC-AEJSXWLSSA-N 1 3 213.325 0.051 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CNC)C1 ZINC000261553444 135193184 /nfs/dbraw/zinc/19/31/84/135193184.db2.gz SMCJCHAUACDHFA-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CNC)C1 ZINC000261553444 135193185 /nfs/dbraw/zinc/19/31/85/135193185.db2.gz SMCJCHAUACDHFA-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000261555488 135195663 /nfs/dbraw/zinc/19/56/63/135195663.db2.gz VBTPBPFKXVDSAC-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000261555488 135195664 /nfs/dbraw/zinc/19/56/64/135195664.db2.gz VBTPBPFKXVDSAC-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[N@H+](CCn1cncn1)C1CCNCC1 ZINC000261560185 135201562 /nfs/dbraw/zinc/20/15/62/135201562.db2.gz UJBMLWSCOLBVIS-UHFFFAOYSA-N 1 3 237.351 0.742 20 0 BCADHO CCC[N@@H+](CCn1cncn1)C1CCNCC1 ZINC000261560185 135201563 /nfs/dbraw/zinc/20/15/63/135201563.db2.gz UJBMLWSCOLBVIS-UHFFFAOYSA-N 1 3 237.351 0.742 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000261562696 135204116 /nfs/dbraw/zinc/20/41/16/135204116.db2.gz BNMYPXDTMWHSKE-UTLUCORTSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cncn3)C[C@H]21 ZINC000261562885 135204382 /nfs/dbraw/zinc/20/43/82/135204382.db2.gz WQPNTQAQJBQSGB-IJLUTSLNSA-N 1 3 235.335 0.337 20 0 BCADHO C(C1CCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261563835 135205757 /nfs/dbraw/zinc/20/57/57/135205757.db2.gz CBJSZDJKBMFOLC-ZDUSSCGKSA-N 1 3 223.364 0.766 20 0 BCADHO CCN(CC)CC(=O)NC(C)(C)C[NH3+] ZINC000261580673 135221465 /nfs/dbraw/zinc/22/14/65/135221465.db2.gz NBWMAFGXTMIJIY-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000261598382 135236849 /nfs/dbraw/zinc/23/68/49/135236849.db2.gz ZLNREVROHMXUPI-XFWSIPNHSA-N 1 3 213.325 0.226 20 0 BCADHO CCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000261599131 135237826 /nfs/dbraw/zinc/23/78/26/135237826.db2.gz ATUNUFHETYLTRZ-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)[C@H](C)CC ZINC000261547597 135240817 /nfs/dbraw/zinc/24/08/17/135240817.db2.gz MOPJEKJYSCMILW-OPRDCNLKSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000261674104 135245095 /nfs/dbraw/zinc/24/50/95/135245095.db2.gz JHTUYAPGDSKJPT-USWWRNFRSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@]1(CN2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687608 135245756 /nfs/dbraw/zinc/24/57/56/135245756.db2.gz AQLOHXXXPTZXNY-ZYHUDNBSSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000261707928 135246581 /nfs/dbraw/zinc/24/65/81/135246581.db2.gz DFEVBKWXABMSIF-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000261707928 135246582 /nfs/dbraw/zinc/24/65/82/135246582.db2.gz DFEVBKWXABMSIF-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084419989 135248384 /nfs/dbraw/zinc/24/83/84/135248384.db2.gz BWGSVXNXQYHDKX-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000084420082 135249342 /nfs/dbraw/zinc/24/93/42/135249342.db2.gz GCLNTOFOMUFBRA-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CNCC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261760406 135250608 /nfs/dbraw/zinc/25/06/08/135250608.db2.gz QBBYWNFDWLFZOX-UHFFFAOYSA-N 1 3 235.331 0.236 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000261822445 135255453 /nfs/dbraw/zinc/25/54/53/135255453.db2.gz MPHLRUYFWIARJI-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CCCC[C@H]1C ZINC000261871366 135258864 /nfs/dbraw/zinc/25/88/64/135258864.db2.gz QRUQHTRXGNOSKN-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@]1(CN2CC[C@@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880738 135259861 /nfs/dbraw/zinc/25/98/61/135259861.db2.gz QVNVSAPOYJOOKP-QWHCGFSZSA-N 1 3 237.347 0.198 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000261881392 135260252 /nfs/dbraw/zinc/26/02/52/135260252.db2.gz RWWQFWBVPAXHOQ-KOLCDFICSA-N 1 3 245.392 0.277 20 0 BCADHO NC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886848 135260298 /nfs/dbraw/zinc/26/02/98/135260298.db2.gz BJLNRJRLPLFFCC-CHWSQXEVSA-N 1 3 247.342 0.582 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000261881396 135260326 /nfs/dbraw/zinc/26/03/26/135260326.db2.gz RWWQFWBVPAXHOQ-ONGXEEELSA-N 1 3 245.392 0.277 20 0 BCADHO Cn1nncc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261994268 135270906 /nfs/dbraw/zinc/27/09/06/135270906.db2.gz KOBYLUWBRJATTM-UHFFFAOYSA-N 1 3 235.335 0.391 20 0 BCADHO NCC[N@H+](CCO)CCCc1ccccc1 ZINC000342404761 135271713 /nfs/dbraw/zinc/27/17/13/135271713.db2.gz XXGAJXYDLFNEJZ-UHFFFAOYSA-N 1 3 222.332 0.872 20 0 BCADHO NCC[N@@H+](CCO)CCCc1ccccc1 ZINC000342404761 135271715 /nfs/dbraw/zinc/27/17/15/135271715.db2.gz XXGAJXYDLFNEJZ-UHFFFAOYSA-N 1 3 222.332 0.872 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000262018224 135273276 /nfs/dbraw/zinc/27/32/76/135273276.db2.gz ACKNLJNAKHNLHF-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N(CC)CC ZINC000262039370 135274697 /nfs/dbraw/zinc/27/46/97/135274697.db2.gz RKKRBYISKHHQFE-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1C[NH2+]C1 ZINC000262034111 135274936 /nfs/dbraw/zinc/27/49/36/135274936.db2.gz PPMFERHAJHLDKB-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CS(=O)(=O)[C@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000262048634 135276050 /nfs/dbraw/zinc/27/60/50/135276050.db2.gz ZHSSZZGPJFCJJG-NSHDSACASA-N 1 3 246.376 0.105 20 0 BCADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000262178068 135283740 /nfs/dbraw/zinc/28/37/40/135283740.db2.gz WFMOUWWEYKYKMI-AGIUHOORSA-N 1 3 223.364 0.622 20 0 BCADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000262178068 135283741 /nfs/dbraw/zinc/28/37/41/135283741.db2.gz WFMOUWWEYKYKMI-AGIUHOORSA-N 1 3 223.364 0.622 20 0 BCADHO COc1ccccc1[C@@H]1CNCCN1C[C@@H](C)[NH3+] ZINC000262177760 135283848 /nfs/dbraw/zinc/28/38/48/135283848.db2.gz IKHKMLUSXKLPLC-YPMHNXCESA-N 1 3 249.358 0.989 20 0 BCADHO COc1ccccc1[C@@H]1CNCCN1CC[NH3+] ZINC000262222142 135286125 /nfs/dbraw/zinc/28/61/25/135286125.db2.gz MTBQXYLDSDXXML-LBPRGKRZSA-N 1 3 235.331 0.600 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000262394731 135298497 /nfs/dbraw/zinc/29/84/97/135298497.db2.gz OSIOCCSSRVXYOR-IJLUTSLNSA-N 1 3 241.379 0.818 20 0 BCADHO NC1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCCC1 ZINC000262447204 135299610 /nfs/dbraw/zinc/29/96/10/135299610.db2.gz PNMAKLHIJFCLJU-LLVKDONJSA-N 1 3 239.363 0.764 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000262450245 135299977 /nfs/dbraw/zinc/29/99/77/135299977.db2.gz VUWOFWMCVLHIBO-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000262497606 135302743 /nfs/dbraw/zinc/30/27/43/135302743.db2.gz XDJGSZDCKNYHBO-DGCLKSJQSA-N 1 3 249.358 0.671 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)N(C)C ZINC000262543386 135304751 /nfs/dbraw/zinc/30/47/51/135304751.db2.gz XRZPETAEKHHXIS-QWRGUYRKSA-N 1 3 227.352 0.380 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746018 135311174 /nfs/dbraw/zinc/31/11/74/135311174.db2.gz VEVLQBVWECOOAC-ZWNOBZJWSA-N 1 3 241.379 0.866 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746859 135311443 /nfs/dbraw/zinc/31/14/43/135311443.db2.gz VTJZTWMGEBPNBR-CMPLNLGQSA-N 1 3 227.352 0.620 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342721113 135314308 /nfs/dbraw/zinc/31/43/08/135314308.db2.gz SPPSKXSWYLMGPP-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCCN2)CC[NH2+]1 ZINC000262787160 135317903 /nfs/dbraw/zinc/31/79/03/135317903.db2.gz CUBWSNLBXHDGHC-MDZLAQPJSA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCCNCC1 ZINC000263006468 135326869 /nfs/dbraw/zinc/32/68/69/135326869.db2.gz PHDPHFLJZRELIR-WCQYABFASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CCN(C2CC2)C1)C1C[NH2+]C1 ZINC000164474341 135345301 /nfs/dbraw/zinc/34/53/01/135345301.db2.gz PQBYOKNTKILGRZ-KOLCDFICSA-N 1 3 237.347 0.195 20 0 BCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000334340481 135363921 /nfs/dbraw/zinc/36/39/21/135363921.db2.gz HIZPZXJENIVUOS-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000334340481 135363923 /nfs/dbraw/zinc/36/39/23/135363923.db2.gz HIZPZXJENIVUOS-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000334340486 135363979 /nfs/dbraw/zinc/36/39/79/135363979.db2.gz HIZPZXJENIVUOS-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000334340486 135363980 /nfs/dbraw/zinc/36/39/80/135363980.db2.gz HIZPZXJENIVUOS-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081000480 135385316 /nfs/dbraw/zinc/38/53/16/135385316.db2.gz MULXAGHXFGVOBY-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000334410780 135392366 /nfs/dbraw/zinc/39/23/66/135392366.db2.gz MVSUEZJYNOCLQO-ZYHUDNBSSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000344686342 135788690 /nfs/dbraw/zinc/78/86/90/135788690.db2.gz BXJWNZRJQKMKKF-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC2(C[NH3+])CC2)[C@H]1C ZINC000335044562 135872463 /nfs/dbraw/zinc/87/24/63/135872463.db2.gz KTUWLCBVKCCYEX-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](C)N1CCCCCC1 ZINC000347630140 135992499 /nfs/dbraw/zinc/99/24/99/135992499.db2.gz OVEPDLRWEJJSSW-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335322150 136049992 /nfs/dbraw/zinc/04/99/92/136049992.db2.gz QDESBHKSVFOERX-MWLCHTKSSA-N 1 3 225.336 0.182 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335345219 136065862 /nfs/dbraw/zinc/06/58/62/136065862.db2.gz LVMCMMLRGOUWQJ-MNOVXSKESA-N 1 3 239.363 0.572 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000335347055 136066922 /nfs/dbraw/zinc/06/69/22/136066922.db2.gz QYVCVBGXKPVPEM-VHSXEESVSA-N 1 3 225.336 0.502 20 0 BCADHO CC(C)N1CCCN(C(=O)NCC[NH3+])CC1 ZINC000335354702 136070483 /nfs/dbraw/zinc/07/04/83/136070483.db2.gz BFTTYJUGXWUAHI-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)NCC(C)(C)[NH3+])C1 ZINC000335354878 136071006 /nfs/dbraw/zinc/07/10/06/136071006.db2.gz BYRPNTGKPXFQCN-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]1NCCN(C(=O)NCC(C)(C)[NH3+])[C@@H]1C ZINC000335361649 136080962 /nfs/dbraw/zinc/08/09/62/136080962.db2.gz UCDWFLLPGSWDLW-RKDXNWHRSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC(C)(C)[NH3+] ZINC000335361720 136081276 /nfs/dbraw/zinc/08/12/76/136081276.db2.gz WFRKPLFWBSPZHZ-DTWKUNHWSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)C(C)(C)N)C[C@@]1(C)C[NH3+] ZINC000335390636 136090597 /nfs/dbraw/zinc/09/05/97/136090597.db2.gz RKGGMRUBDDNQSF-LDYMZIIASA-N 1 3 213.325 0.167 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000335393023 136091442 /nfs/dbraw/zinc/09/14/42/136091442.db2.gz AFPLHDKHBTWCTB-LLVKDONJSA-N 1 3 223.320 0.080 20 0 BCADHO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)CN)CC1 ZINC000335393391 136091664 /nfs/dbraw/zinc/09/16/64/136091664.db2.gz CGQKJJLTVDFMBL-NSHDSACASA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335395776 136092424 /nfs/dbraw/zinc/09/24/24/136092424.db2.gz KJBSXULNJMXPBQ-ONGXEEELSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC2(CC[NH2+]C2)CC1 ZINC000335395903 136092680 /nfs/dbraw/zinc/09/26/80/136092680.db2.gz MWCRHPJCGNDXLO-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C(N)=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335397701 136092838 /nfs/dbraw/zinc/09/28/38/136092838.db2.gz VELYIWUDQXHTKR-SECBINFHSA-N 1 3 211.309 0.986 20 0 BCADHO O=C1NCC[C@H]1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335397761 136092941 /nfs/dbraw/zinc/09/29/41/136092941.db2.gz YAIZTXVOFXRLQK-NWDGAFQWSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@]1(CNC(=O)[C@H]2C[C@H](F)CN2)CCC[NH2+]C1 ZINC000446360055 397947569 /nfs/dbraw/zinc/94/75/69/397947569.db2.gz OIHBPECQXZLMPS-HOSYDEDBSA-N 1 3 243.326 0.192 20 0 BCADHO NC(C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000353132699 397960540 /nfs/dbraw/zinc/96/05/40/397960540.db2.gz SHCADDRZAORUDB-XVMARJQXSA-N 1 3 239.241 0.120 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000054133123 397903499 /nfs/dbraw/zinc/90/34/99/397903499.db2.gz PNRDMHARSQSOFM-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372909972 398007728 /nfs/dbraw/zinc/00/77/28/398007728.db2.gz HWLGOJFLKYKOFL-SRVKXCTJSA-N 1 3 237.347 0.339 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094611 398023131 /nfs/dbraw/zinc/02/31/31/398023131.db2.gz OSRMJPSPWVUVSM-NHCYSSNCSA-N 1 3 225.336 0.454 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC(C)C)C1 ZINC000037643469 398023734 /nfs/dbraw/zinc/02/37/34/398023734.db2.gz GMMJRYOEPXPMCZ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC(C)C)C1 ZINC000037643469 398023740 /nfs/dbraw/zinc/02/37/40/398023740.db2.gz GMMJRYOEPXPMCZ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)(N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169811086 398031736 /nfs/dbraw/zinc/03/17/36/398031736.db2.gz FVLJVYLWGBKXCZ-UHFFFAOYSA-N 1 3 207.277 0.821 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000383687779 398034506 /nfs/dbraw/zinc/03/45/06/398034506.db2.gz SEZGRKJIFLRHPC-OLZOCXBDSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000383687779 398034507 /nfs/dbraw/zinc/03/45/07/398034507.db2.gz SEZGRKJIFLRHPC-OLZOCXBDSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000083911661 398036690 /nfs/dbraw/zinc/03/66/90/398036690.db2.gz JGULSFBKHUQREA-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564726872 398039098 /nfs/dbraw/zinc/03/90/98/398039098.db2.gz NEVMUPTWLCZFRT-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO COC(C)(C)CN(C)C[C@H]1CC[NH2+]C1 ZINC000382749346 397971987 /nfs/dbraw/zinc/97/19/87/397971987.db2.gz CZVWWFQTKVJMAC-JTQLQIEISA-N 1 3 200.326 0.953 20 0 BCADHO CC[NH+]1CCC(NC(=O)/C=C/CN(C)C)CC1 ZINC000491853238 398075671 /nfs/dbraw/zinc/07/56/71/398075671.db2.gz UZSZHCJHGLGZGJ-AATRIKPKSA-N 1 3 239.363 0.705 20 0 BCADHO C[C@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](N)Cc1ccccc1 ZINC000289315377 398085785 /nfs/dbraw/zinc/08/57/85/398085785.db2.gz UDKYKRCNECYJLL-UHTWSYAYSA-N 1 3 247.342 0.505 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)Cc1ccccc1 ZINC000289315379 398085831 /nfs/dbraw/zinc/08/58/31/398085831.db2.gz UDKYKRCNECYJLL-WXHSDQCUSA-N 1 3 247.342 0.505 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000128928330 398099020 /nfs/dbraw/zinc/09/90/20/398099020.db2.gz GTXGRFZNJJHLGE-KKZNHRDASA-N 1 3 229.299 0.074 20 0 BCADHO C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC000120981003 173347803 /nfs/dbraw/zinc/34/78/03/173347803.db2.gz JHLIPQGDLFXWDX-UHFFFAOYSA-N 1 3 201.314 0.052 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H](C)CN1CCCCC1 ZINC000037609838 487560141 /nfs/dbraw/zinc/56/01/41/487560141.db2.gz PAZIFDCNUBBRAR-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO [NH3+]C1(CC(=O)NCCN2CCCC2)CCC1 ZINC000086853244 487570228 /nfs/dbraw/zinc/57/02/28/487570228.db2.gz VPEIFKAYMBVIAY-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000393768863 487579993 /nfs/dbraw/zinc/57/99/93/487579993.db2.gz DJEIIWQQMMDNBJ-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393747281 487580488 /nfs/dbraw/zinc/58/04/88/487580488.db2.gz RNIOBQQSIHGYID-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393747281 487580496 /nfs/dbraw/zinc/58/04/96/487580496.db2.gz RNIOBQQSIHGYID-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000565539961 322916038 /nfs/dbraw/zinc/91/60/38/322916038.db2.gz RWWVGVVQIZCLHO-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc2c1CNC2 ZINC000662412380 487603362 /nfs/dbraw/zinc/60/33/62/487603362.db2.gz PTJDEGWBHHYKBD-NSHDSACASA-N 1 3 245.326 0.772 20 0 BCADHO CCCN(C[C@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000662244097 409535467 /nfs/dbraw/zinc/53/54/67/409535467.db2.gz BQGPSPBLSZFVLQ-NWDGAFQWSA-N 1 3 227.352 0.049 20 0 BCADHO C[C@H]1CSCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254125 409553057 /nfs/dbraw/zinc/55/30/57/409553057.db2.gz FZUYUTFCOWSUFW-QWRGUYRKSA-N 1 3 242.388 0.945 20 0 BCADHO [NH3+]CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662389822 409692355 /nfs/dbraw/zinc/69/23/55/409692355.db2.gz DWXFBJYZMHCADC-NSHDSACASA-N 1 3 219.288 0.296 20 0 BCADHO CC[NH2+]CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662409087 409700722 /nfs/dbraw/zinc/70/07/22/409700722.db2.gz GXHCBTVJKMKVAK-CYBMUJFWSA-N 1 3 247.342 0.947 20 0 BCADHO CC[NH2+]CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662409088 409702243 /nfs/dbraw/zinc/70/22/43/409702243.db2.gz GXHCBTVJKMKVAK-ZDUSSCGKSA-N 1 3 247.342 0.947 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662387912 409690216 /nfs/dbraw/zinc/69/02/16/409690216.db2.gz MFAMJLFEXHORPB-SNVBAGLBSA-N 1 3 237.347 0.611 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000662515532 409742726 /nfs/dbraw/zinc/74/27/26/409742726.db2.gz VUFJITSQAUBIQQ-DCAQKATOSA-N 1 3 225.336 0.147 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000662703907 409854715 /nfs/dbraw/zinc/85/47/15/409854715.db2.gz QBWIZFGYHUQASL-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CN(CCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000653112893 409822216 /nfs/dbraw/zinc/82/22/16/409822216.db2.gz MFJVKUYQFMPUKA-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCCC1 ZINC000662668913 409830560 /nfs/dbraw/zinc/83/05/60/409830560.db2.gz SMOHSWXYRUTZFE-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662635426 409805907 /nfs/dbraw/zinc/80/59/07/409805907.db2.gz VNJBTFKRRPAMGV-BDAKNGLRSA-N 1 3 201.314 0.051 20 0 BCADHO C[C@H](CCNC(=O)CNC1CC1)[NH+](C)C ZINC000662636463 409806714 /nfs/dbraw/zinc/80/67/14/409806714.db2.gz YSCWTKJPKJZYFB-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662782364 409913533 /nfs/dbraw/zinc/91/35/33/409913533.db2.gz JCCRSXCLAWHECK-IUCAKERBSA-N 1 3 225.336 0.500 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)CC(F)F ZINC000662731092 409876519 /nfs/dbraw/zinc/87/65/19/409876519.db2.gz XZBQFAVGXOILAD-SFYZADRCSA-N 1 3 237.294 0.459 20 0 BCADHO C[C@H](CCNC(=O)[C@@H]1C[C@H](C)CCN1)[NH+](C)C ZINC000662859124 409957684 /nfs/dbraw/zinc/95/76/84/409957684.db2.gz KCRSXNATCXDHRP-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839454 409949263 /nfs/dbraw/zinc/94/92/63/409949263.db2.gz QPRWLDURWSQYMO-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839454 409949271 /nfs/dbraw/zinc/94/92/71/409949271.db2.gz QPRWLDURWSQYMO-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839426 409949616 /nfs/dbraw/zinc/94/96/16/409949616.db2.gz QPRWLDURWSQYMO-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839426 409949625 /nfs/dbraw/zinc/94/96/25/409949625.db2.gz QPRWLDURWSQYMO-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO COC[C@H](C)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251597064 487613287 /nfs/dbraw/zinc/61/32/87/487613287.db2.gz CZCLMYYWEKXIQA-GMTAPVOTSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000251597064 487613292 /nfs/dbraw/zinc/61/32/92/487613292.db2.gz CZCLMYYWEKXIQA-GMTAPVOTSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1CC[C@@H](N)[C@H](C)C1 ZINC000251597064 487613296 /nfs/dbraw/zinc/61/32/96/487613296.db2.gz CZCLMYYWEKXIQA-GMTAPVOTSA-N 1 3 200.326 0.938 20 0 BCADHO CC[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223445 410171148 /nfs/dbraw/zinc/17/11/48/410171148.db2.gz NOQKSSORTCPFCL-LLVKDONJSA-N 1 3 239.294 0.638 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221333 410171497 /nfs/dbraw/zinc/17/14/97/410171497.db2.gz RVCPVNSJPDJIDX-SECBINFHSA-N 1 3 225.336 0.230 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653257394 410240320 /nfs/dbraw/zinc/24/03/20/410240320.db2.gz XNFKBHIVVURBLG-GFCCVEGCSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@@H](CO)C1CCN(CCC[NH3+])CC1 ZINC000650715189 410351655 /nfs/dbraw/zinc/35/16/55/410351655.db2.gz TYNJRWJWUJAZDM-JTQLQIEISA-N 1 3 200.326 0.676 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653266450 410306715 /nfs/dbraw/zinc/30/67/15/410306715.db2.gz AFUZJGCAVNRESU-LBPRGKRZSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H](CC(N)=O)NCc1ccc(C[NH3+])cc1F ZINC000650751812 410395342 /nfs/dbraw/zinc/39/53/42/410395342.db2.gz BVSYNLNGOYQWCF-MRVPVSSYSA-N 1 3 239.294 0.638 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655460749 410574514 /nfs/dbraw/zinc/57/45/14/410574514.db2.gz ALCDBWCUXFDLDD-PWSUYJOCSA-N 1 3 225.336 0.054 20 0 BCADHO NC1(C(=O)NCCC2CC[NH2+]CC2)CCC1 ZINC000653272461 410540805 /nfs/dbraw/zinc/54/08/05/410540805.db2.gz OMPYFASJYXNBQM-UHFFFAOYSA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)CCN1CCCCC1 ZINC000653274911 410554974 /nfs/dbraw/zinc/55/49/74/410554974.db2.gz RVIZMCAFHQEZCU-LLVKDONJSA-N 1 3 227.352 0.526 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665262140 410734379 /nfs/dbraw/zinc/73/43/79/410734379.db2.gz VDAWNOAPKRAMCT-MROQNXINSA-N 1 3 242.363 0.504 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000040673755 410885375 /nfs/dbraw/zinc/88/53/75/410885375.db2.gz SGDKZMXRRMPGRH-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](NC(=O)C(C)(C)N)C1CC[NH+](C)CC1 ZINC000396441482 410882158 /nfs/dbraw/zinc/88/21/58/410882158.db2.gz UWTDGWFKDWLKCI-SECBINFHSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396428604 410883543 /nfs/dbraw/zinc/88/35/43/410883543.db2.gz CRZBWJTVZVIHLP-MWLCHTKSSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)NCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367462098 167107455 /nfs/dbraw/zinc/10/74/55/167107455.db2.gz CUDOTFZGOCTKHS-YPMHNXCESA-N 1 3 239.363 0.631 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC([NH3+])CC1)N(C)C ZINC000236710657 167342729 /nfs/dbraw/zinc/34/27/29/167342729.db2.gz BNASWDLIUUVANR-NSHDSACASA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000236711402 167344234 /nfs/dbraw/zinc/34/42/34/167344234.db2.gz SELMMFFLMVFTLA-MNOVXSKESA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000346143969 167345544 /nfs/dbraw/zinc/34/55/44/167345544.db2.gz TVLPLSXPUTXQSK-QWRGUYRKSA-N 1 3 229.368 0.639 20 0 BCADHO CC(C)[C@@H](CN[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000341899342 167398766 /nfs/dbraw/zinc/39/87/66/167398766.db2.gz OFDFJQDNFWHGJJ-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000295334314 167421062 /nfs/dbraw/zinc/42/10/62/167421062.db2.gz ZTSCDYQIQZWYBZ-OLZOCXBDSA-N 1 3 249.358 0.656 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000044538842 411137123 /nfs/dbraw/zinc/13/71/23/411137123.db2.gz SOMOVYFBDOJDTF-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000044538842 411137124 /nfs/dbraw/zinc/13/71/24/411137124.db2.gz SOMOVYFBDOJDTF-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726827 411139978 /nfs/dbraw/zinc/13/99/78/411139978.db2.gz IEFITJFYOJKWMI-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000119041305 411150048 /nfs/dbraw/zinc/15/00/48/411150048.db2.gz PAECJEZYQYALJT-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1 ZINC000119041305 411150049 /nfs/dbraw/zinc/15/00/49/411150049.db2.gz PAECJEZYQYALJT-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO [NH3+]CCCCC(=O)NCCN1CCCC1 ZINC000069733032 411159198 /nfs/dbraw/zinc/15/91/98/411159198.db2.gz XJGDVQSYTWEDKH-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO C[C@@H](CNC(=O)CCCC[NH3+])N(C)C ZINC000069733571 411159259 /nfs/dbraw/zinc/15/92/59/411159259.db2.gz QYCQOICMJZTRRL-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCN1CCCC1=O ZINC000405464380 411172978 /nfs/dbraw/zinc/17/29/78/411172978.db2.gz ZKMNGVSEAASAEN-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCCC1=O ZINC000405464380 411172980 /nfs/dbraw/zinc/17/29/80/411172980.db2.gz ZKMNGVSEAASAEN-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N(C)CCN1CCCCC1 ZINC000652218178 411173192 /nfs/dbraw/zinc/17/31/92/411173192.db2.gz ZYLPSFFDGOPDFI-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO CCn1cnnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401051842 411174410 /nfs/dbraw/zinc/17/44/10/411174410.db2.gz YRUFAFSMLURZDM-GRYCIOLGSA-N 1 3 249.362 0.776 20 0 BCADHO CCNC(=O)CN(C)CCCC1CC[NH2+]CC1 ZINC000401085012 411176134 /nfs/dbraw/zinc/17/61/34/411176134.db2.gz YISPFQGYNQXKBE-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655515379 411182734 /nfs/dbraw/zinc/18/27/34/411182734.db2.gz ZIDVZSMHXLZVJE-SSDOTTSWSA-N 1 3 241.257 0.332 20 0 BCADHO CC(C)OCCN(C)CCN1CC[NH2+]CC1 ZINC000070800610 411183637 /nfs/dbraw/zinc/18/36/37/411183637.db2.gz NTJPQUMPIBJMSP-UHFFFAOYSA-N 1 3 229.368 0.248 20 0 BCADHO CN(C)CCN(C)C(=O)NCC1([NH3+])CCCC1 ZINC000659573486 411189744 /nfs/dbraw/zinc/18/97/44/411189744.db2.gz OKLYWZRUQIEOCV-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@H](C[NH2+][C@@H](C)Cn1cncn1)CN(C)C ZINC000658017914 411198339 /nfs/dbraw/zinc/19/83/39/411198339.db2.gz MBNSKQCVVKCFHA-MNOVXSKESA-N 1 3 225.340 0.454 20 0 BCADHO C[C@H](CN[C@@H](C)Cn1cncn1)C[NH+](C)C ZINC000658017914 411198341 /nfs/dbraw/zinc/19/83/41/411198341.db2.gz MBNSKQCVVKCFHA-MNOVXSKESA-N 1 3 225.340 0.454 20 0 BCADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000656199097 411201882 /nfs/dbraw/zinc/20/18/82/411201882.db2.gz LIZACRJKAWNGBG-MROQNXINSA-N 1 3 242.363 0.897 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCOC[C@@H]2CCOC2)C1 ZINC000656197686 411202708 /nfs/dbraw/zinc/20/27/08/411202708.db2.gz XQUMIGXSMKACMC-UPJWGTAASA-N 1 3 242.363 0.899 20 0 BCADHO CC(C)N1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000656197825 411203225 /nfs/dbraw/zinc/20/32/25/411203225.db2.gz MUKUCSGUYDTGTO-GRYCIOLGSA-N 1 3 239.363 0.855 20 0 BCADHO [NH3+][C@H]1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198329 411203271 /nfs/dbraw/zinc/20/32/71/411203271.db2.gz QHNVUZROYRFDSR-FIQHERPVSA-N 1 3 210.321 0.783 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000424190565 411245327 /nfs/dbraw/zinc/24/53/27/411245327.db2.gz MQXDMBXNQMVQDA-FIQHERPVSA-N 1 3 237.347 0.182 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000652338478 411203825 /nfs/dbraw/zinc/20/38/25/411203825.db2.gz ICPMTHOPRFDOEU-NEPJUHHUSA-N 1 3 228.336 0.069 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000652338478 411203828 /nfs/dbraw/zinc/20/38/28/411203828.db2.gz ICPMTHOPRFDOEU-NEPJUHHUSA-N 1 3 228.336 0.069 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@]2(CCOC2)C1 ZINC000652338478 411203831 /nfs/dbraw/zinc/20/38/31/411203831.db2.gz ICPMTHOPRFDOEU-NEPJUHHUSA-N 1 3 228.336 0.069 20 0 BCADHO CCN(C[C@@H]1CCOC1)C[C@@](C)(O)C[NH2+]C ZINC000652337106 411205027 /nfs/dbraw/zinc/20/50/27/411205027.db2.gz KAPQFBITQONNRJ-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CC[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000247489885 411210424 /nfs/dbraw/zinc/21/04/24/411210424.db2.gz UDNHERKTVFTECZ-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358567 411213887 /nfs/dbraw/zinc/21/38/87/411213887.db2.gz RWTAMZDRXDRPGA-YPMHNXCESA-N 1 3 244.379 0.297 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000659295856 411225685 /nfs/dbraw/zinc/22/56/85/411225685.db2.gz GEGLXDXGGLTFPR-AOOOYVTPSA-N 1 3 213.325 0.193 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659612357 411236040 /nfs/dbraw/zinc/23/60/40/411236040.db2.gz WDLJTHMKBDDHCT-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CCCN(C)C1)[NH+](C)C ZINC000652418158 411237105 /nfs/dbraw/zinc/23/71/05/411237105.db2.gz UUVXFTNUNBCZME-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CCC[NH2+]CCN[C@H]1CCN(CCOC)C1 ZINC000423306958 411237755 /nfs/dbraw/zinc/23/77/55/411237755.db2.gz FWEFNTFYWBFRRN-LBPRGKRZSA-N 1 3 229.368 0.296 20 0 BCADHO CC(C)[C@@H](N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457405 411266287 /nfs/dbraw/zinc/26/62/87/411266287.db2.gz WFWZLFLOLPQSNZ-LLVKDONJSA-N 1 3 223.324 0.858 20 0 BCADHO C[C@H]([NH3+])Cn1cc(CCN2CCCCC2)nn1 ZINC000656457395 411266835 /nfs/dbraw/zinc/26/68/35/411266835.db2.gz WBYGGPXGURAYMM-NSHDSACASA-N 1 3 237.351 0.654 20 0 BCADHO C[C@@H](C[NH3+])n1cc(CCN2CCCCC2)nn1 ZINC000656458207 411267429 /nfs/dbraw/zinc/26/74/29/411267429.db2.gz PPHUGCSKVSFBNX-NSHDSACASA-N 1 3 237.351 0.826 20 0 BCADHO CC[C@](C)(N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468696 411280758 /nfs/dbraw/zinc/28/07/58/411280758.db2.gz RCUAAASUPCGXTR-ONGXEEELSA-N 1 3 223.324 0.787 20 0 BCADHO CCC[C@](C)(N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694918 411281214 /nfs/dbraw/zinc/28/12/14/411281214.db2.gz OFESKHKJWXFIIZ-CBINBANVSA-N 1 3 227.352 0.890 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(CC)CC ZINC000428152273 411282316 /nfs/dbraw/zinc/28/23/16/411282316.db2.gz RKKRBYISKHHQFE-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(CC)CC ZINC000428152274 411282549 /nfs/dbraw/zinc/28/25/49/411282549.db2.gz RKKRBYISKHHQFE-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO NC(=[NH2+])NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000656508471 411288474 /nfs/dbraw/zinc/28/84/74/411288474.db2.gz GVKLVWOQHXIRGV-LBPRGKRZSA-N 1 3 248.330 0.236 20 0 BCADHO CC(C)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000659302340 411294409 /nfs/dbraw/zinc/29/44/09/411294409.db2.gz ICSISVMCUKCSLY-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C1(N)CC2(CCC2)C1 ZINC000659308564 411307291 /nfs/dbraw/zinc/30/72/91/411307291.db2.gz XHKMCFKLYGQKIB-SNVBAGLBSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000062071237 411325974 /nfs/dbraw/zinc/32/59/74/411325974.db2.gz QNLCOZZPVGXVTB-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000062071237 411325978 /nfs/dbraw/zinc/32/59/78/411325978.db2.gz QNLCOZZPVGXVTB-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000658349565 411351364 /nfs/dbraw/zinc/35/13/64/411351364.db2.gz KIDIEYJJHBGPEF-KKOKHZNYSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000658349565 411351367 /nfs/dbraw/zinc/35/13/67/411351367.db2.gz KIDIEYJJHBGPEF-KKOKHZNYSA-N 1 3 212.337 0.830 20 0 BCADHO CC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000130627554 411359526 /nfs/dbraw/zinc/35/95/26/411359526.db2.gz DQDYIIQQAWFBRV-SNVBAGLBSA-N 1 3 234.303 0.403 20 0 BCADHO C[C@]12COC[C@@H]1C[N@H+](C[C@H]1CCCNC1)C2 ZINC000656790899 411370089 /nfs/dbraw/zinc/37/00/89/411370089.db2.gz CGXWJBMYLJETTH-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1CCCNC1)C2 ZINC000656790899 411370093 /nfs/dbraw/zinc/37/00/93/411370093.db2.gz CGXWJBMYLJETTH-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO C[C@@]12COC[C@@H]1CN(C[C@@]1(C)CC[NH2+]C1)C2 ZINC000656790895 411371215 /nfs/dbraw/zinc/37/12/15/411371215.db2.gz BXMDPJRNCJGPQA-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCN(C)C1 ZINC000069839786 411371938 /nfs/dbraw/zinc/37/19/38/411371938.db2.gz AILKYRUDLVTWTG-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000659313023 411337247 /nfs/dbraw/zinc/33/72/47/411337247.db2.gz KTMGPULAWQXGEZ-SNVBAGLBSA-N 1 3 225.336 0.243 20 0 BCADHO CC1CCN(CC(=O)N2CCC[NH2+]CC2)CC1 ZINC000042354417 168177591 /nfs/dbraw/zinc/17/75/91/168177591.db2.gz RESOKMQEGTZLJP-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NCCN1CCC(C)CC1 ZINC000040772533 168181245 /nfs/dbraw/zinc/18/12/45/168181245.db2.gz AKPJTXZQQBWVCL-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CC1CCN(CCNC(=O)C(C)(C)[NH3+])CC1 ZINC000040924983 168181679 /nfs/dbraw/zinc/18/16/79/168181679.db2.gz IUXHEEFBWIFDBM-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)[C@H]1CCN ZINC000404287047 411388590 /nfs/dbraw/zinc/38/85/90/411388590.db2.gz INJNLMXMRQCMAQ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@H]1CCN ZINC000404287047 411388594 /nfs/dbraw/zinc/38/85/94/411388594.db2.gz INJNLMXMRQCMAQ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CCCN(CCC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404287047 411388597 /nfs/dbraw/zinc/38/85/97/411388597.db2.gz INJNLMXMRQCMAQ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000580763862 411394701 /nfs/dbraw/zinc/39/47/01/411394701.db2.gz WIXQOWIPYREPML-NOOOWODRSA-N 1 3 239.363 0.489 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCCC[NH+]1CCCC1 ZINC000336696052 411401911 /nfs/dbraw/zinc/40/19/11/411401911.db2.gz IPRLAEUMFOPSFG-SECBINFHSA-N 1 3 249.305 0.571 20 0 BCADHO CC(C)([NH3+])CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659389465 411410524 /nfs/dbraw/zinc/41/05/24/411410524.db2.gz NNYNATXPJNNCJZ-RKDXNWHRSA-N 1 3 231.315 0.402 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388919 411410705 /nfs/dbraw/zinc/41/07/05/411410705.db2.gz NUKKQWIAWPOCRQ-DBIOUOCHSA-N 1 3 243.326 0.272 20 0 BCADHO C[C@@H](CNC(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000659500746 411461977 /nfs/dbraw/zinc/46/19/77/411461977.db2.gz GGHUBQQZGLJSNO-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCCN(C)C1 ZINC000659439996 411414718 /nfs/dbraw/zinc/41/47/18/411414718.db2.gz DMLSEILHBPTEND-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO CCO[C@@H]1CN([C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405370631 411427464 /nfs/dbraw/zinc/42/74/64/411427464.db2.gz JLWMSYZISCHMKS-HBNTYKKESA-N 1 3 216.325 0.317 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000659611168 411441609 /nfs/dbraw/zinc/44/16/09/411441609.db2.gz QCMYHFBRDUBHSG-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130008390 411478286 /nfs/dbraw/zinc/47/82/86/411478286.db2.gz RITOVKUCEWZJQY-VHSXEESVSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@]1(CNCCCn2ccnc2)CC[NH2+]C1 ZINC000415100061 411490767 /nfs/dbraw/zinc/49/07/67/411490767.db2.gz HHQWYYHXQLUNSO-GFCCVEGCSA-N 1 3 222.336 0.862 20 0 BCADHO CCN1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000043605498 169953122 /nfs/dbraw/zinc/95/31/22/169953122.db2.gz LTBANBCWNVDAQS-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO N[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000127647899 411498921 /nfs/dbraw/zinc/49/89/21/411498921.db2.gz BIDZBRYNWLVKAW-AAEUAGOBSA-N 1 3 247.342 0.802 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cn[nH]n3)CC[C@H]21 ZINC000660012797 411528025 /nfs/dbraw/zinc/52/80/25/411528025.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(CCc3cn[nH]n3)CC[C@H]21 ZINC000660012797 411528028 /nfs/dbraw/zinc/52/80/28/411528028.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 1 3 249.362 0.763 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(CCc3c[nH]nn3)CC[C@H]21 ZINC000660012797 411528029 /nfs/dbraw/zinc/52/80/29/411528029.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(CCc3c[nH]nn3)CC[C@H]21 ZINC000660012797 411528032 /nfs/dbraw/zinc/52/80/32/411528032.db2.gz UPQDYUNEHARQQF-DGCLKSJQSA-N 1 3 249.362 0.763 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464019 170008665 /nfs/dbraw/zinc/00/86/65/170008665.db2.gz IGDRZIASAYLXKY-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464019 170008666 /nfs/dbraw/zinc/00/86/66/170008666.db2.gz IGDRZIASAYLXKY-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358348703 170013073 /nfs/dbraw/zinc/01/30/73/170013073.db2.gz WBQDDUIVYLGEFY-NWDGAFQWSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@H+]1CC[C@@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358348703 170013074 /nfs/dbraw/zinc/01/30/74/170013074.db2.gz WBQDDUIVYLGEFY-NWDGAFQWSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000372119203 170015078 /nfs/dbraw/zinc/01/50/78/170015078.db2.gz XPTFEOGGUXUXAK-PWSUYJOCSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000372119203 170015079 /nfs/dbraw/zinc/01/50/79/170015079.db2.gz XPTFEOGGUXUXAK-PWSUYJOCSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000372119204 170015518 /nfs/dbraw/zinc/01/55/18/170015518.db2.gz XPTFEOGGUXUXAK-ZYHUDNBSSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000372119204 170015519 /nfs/dbraw/zinc/01/55/19/170015519.db2.gz XPTFEOGGUXUXAK-ZYHUDNBSSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)[C@@H](C)C1 ZINC000236848211 170018788 /nfs/dbraw/zinc/01/87/88/170018788.db2.gz PFISQAIHJLOXSU-AXFHLTTASA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)[C@@H](C)C1 ZINC000236848211 170018789 /nfs/dbraw/zinc/01/87/89/170018789.db2.gz PFISQAIHJLOXSU-AXFHLTTASA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@@H+]1CC[C@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358348701 170021533 /nfs/dbraw/zinc/02/15/33/170021533.db2.gz WBQDDUIVYLGEFY-NEPJUHHUSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@H+]1CC[C@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358348701 170021535 /nfs/dbraw/zinc/02/15/35/170021535.db2.gz WBQDDUIVYLGEFY-NEPJUHHUSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125621 170021989 /nfs/dbraw/zinc/02/19/89/170021989.db2.gz IEJIARDYXKEWNM-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125621 170021990 /nfs/dbraw/zinc/02/19/90/170021990.db2.gz IEJIARDYXKEWNM-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]CCCN(C)C)C1 ZINC000336768132 170037839 /nfs/dbraw/zinc/03/78/39/170037839.db2.gz TTXPKPMZUVGPAO-NWDGAFQWSA-N 1 3 213.369 0.868 20 0 BCADHO CCNC(=O)CN(CC)CC[C@@H]1CCC[NH2+]C1 ZINC000051919229 170056066 /nfs/dbraw/zinc/05/60/66/170056066.db2.gz RTBAJZBKEZPLQH-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000006651223 170088079 /nfs/dbraw/zinc/08/80/79/170088079.db2.gz WIFMIFWPDBQTCC-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000236931123 170115051 /nfs/dbraw/zinc/11/50/51/170115051.db2.gz CDEHZNJRHRIUNQ-LBPRGKRZSA-N 1 3 235.331 0.282 20 0 BCADHO CC[NH2+]CCNC(=O)CN(C)C(C)C ZINC000236905456 170115083 /nfs/dbraw/zinc/11/50/83/170115083.db2.gz UEYCNLINHJIGPU-UHFFFAOYSA-N 1 3 201.314 0.052 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000358917518 170158063 /nfs/dbraw/zinc/15/80/63/170158063.db2.gz VDPDYGQPMWMOBM-DGCLKSJQSA-N 1 3 249.358 0.843 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000660281731 411564615 /nfs/dbraw/zinc/56/46/15/411564615.db2.gz ZTOMMINBJROYJY-QWHCGFSZSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000660281731 411564617 /nfs/dbraw/zinc/56/46/17/411564617.db2.gz ZTOMMINBJROYJY-QWHCGFSZSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000660281732 411564643 /nfs/dbraw/zinc/56/46/43/411564643.db2.gz ZTOMMINBJROYJY-STQMWFEESA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000660281732 411564645 /nfs/dbraw/zinc/56/46/45/411564645.db2.gz ZTOMMINBJROYJY-STQMWFEESA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H](Cn1cncn1)NCCC[NH+](C)C ZINC000657816007 411604688 /nfs/dbraw/zinc/60/46/88/411604688.db2.gz HEHBBWMTNGSZFP-SNVBAGLBSA-N 1 3 211.313 0.208 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657831059 411608995 /nfs/dbraw/zinc/60/89/95/411608995.db2.gz RCNWTOCBOZSIRZ-LBPRGKRZSA-N 1 3 239.367 0.987 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)[C@H](C)CCO ZINC000660920170 411668923 /nfs/dbraw/zinc/66/89/23/411668923.db2.gz ONXHDHFTJMUOML-VXGBXAGGSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)[C@H](C)CCO ZINC000660920170 411668926 /nfs/dbraw/zinc/66/89/26/411668926.db2.gz ONXHDHFTJMUOML-VXGBXAGGSA-N 1 3 232.368 0.390 20 0 BCADHO [NH3+][C@H]1CCN(Cc2nc3c(s2)CNCC3)C1 ZINC000663493955 411672641 /nfs/dbraw/zinc/67/26/41/411672641.db2.gz FHSPMBVDQBYBEJ-QMMMGPOBSA-N 1 3 238.360 0.322 20 0 BCADHO N[C@H](CNC[C@]12C[C@H]1C[NH2+]C2)c1ccccc1 ZINC000663493755 411673639 /nfs/dbraw/zinc/67/36/39/411673639.db2.gz JORRBXSRVULTOD-BFHYXJOUSA-N 1 3 231.343 0.886 20 0 BCADHO C[C@@H](C[NH3+])CNCc1nc2c(s1)CNCC2 ZINC000663497382 411679071 /nfs/dbraw/zinc/67/90/71/411679071.db2.gz NFCQLRNOKZSDEK-QMMMGPOBSA-N 1 3 240.376 0.473 20 0 BCADHO C([NH2+][C@@H]1CCCOCC1)C12CC(C1)CN2 ZINC000663499621 411683740 /nfs/dbraw/zinc/68/37/40/411683740.db2.gz ZNGBIRAWVYFKOD-MOENNCHZSA-N 1 3 210.321 0.897 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512198 411694159 /nfs/dbraw/zinc/69/41/59/411694159.db2.gz ZIXSLUQNCIPQTA-NEPJUHHUSA-N 1 3 239.363 0.049 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H](CO)C1CCC1 ZINC000661151570 411721078 /nfs/dbraw/zinc/72/10/78/411721078.db2.gz DDEOTZJRSBVXGL-VXGBXAGGSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CO)C1CCC1 ZINC000661151570 411721079 /nfs/dbraw/zinc/72/10/79/411721079.db2.gz DDEOTZJRSBVXGL-VXGBXAGGSA-N 1 3 230.352 0.050 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1cnccn1 ZINC000576695261 411835615 /nfs/dbraw/zinc/83/56/15/411835615.db2.gz LWCBHDNHPRGHQL-NEPJUHHUSA-N 1 3 249.362 0.866 20 0 BCADHO C[C@@H](O)CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662150106 412008375 /nfs/dbraw/zinc/00/83/75/412008375.db2.gz UDESQOJSHRDGSA-DGCLKSJQSA-N 1 3 242.363 0.288 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)NC ZINC000664719754 412012791 /nfs/dbraw/zinc/01/27/91/412012791.db2.gz XLZPDMLRWNGTHM-JTQLQIEISA-N 1 3 229.368 0.831 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)NC ZINC000664719754 412012794 /nfs/dbraw/zinc/01/27/94/412012794.db2.gz XLZPDMLRWNGTHM-JTQLQIEISA-N 1 3 229.368 0.831 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](N)CC ZINC000664720523 412013926 /nfs/dbraw/zinc/01/39/26/412013926.db2.gz LTVRJHYAIVUYPG-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](N)CC ZINC000664720523 412013928 /nfs/dbraw/zinc/01/39/28/412013928.db2.gz LTVRJHYAIVUYPG-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)[C@@](C)(CN)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662247872 412044515 /nfs/dbraw/zinc/04/45/15/412044515.db2.gz NNGIJSGLGCVFLL-NWDGAFQWSA-N 1 3 241.379 0.470 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@H]1CNCCO1 ZINC000662248210 412046332 /nfs/dbraw/zinc/04/63/32/412046332.db2.gz WECZRLIOGLBJKE-NEPJUHHUSA-N 1 3 229.368 0.280 20 0 BCADHO CC[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251052 412048348 /nfs/dbraw/zinc/04/83/48/412048348.db2.gz WXBDFRPZQYBNES-NSHDSACASA-N 1 3 210.321 0.992 20 0 BCADHO CC[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251052 412048350 /nfs/dbraw/zinc/04/83/50/412048350.db2.gz WXBDFRPZQYBNES-NSHDSACASA-N 1 3 210.321 0.992 20 0 BCADHO CCOCCN(CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255045 412050216 /nfs/dbraw/zinc/05/02/16/412050216.db2.gz VZWKXYIQLVHQKX-LBPRGKRZSA-N 1 3 242.363 0.866 20 0 BCADHO CCOCC[N@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662255045 412050219 /nfs/dbraw/zinc/05/02/19/412050219.db2.gz VZWKXYIQLVHQKX-LBPRGKRZSA-N 1 3 242.363 0.866 20 0 BCADHO CCOCC[N@@H+](CC)C[C@@H]1CCC2(CNC2)O1 ZINC000662255045 412050223 /nfs/dbraw/zinc/05/02/23/412050223.db2.gz VZWKXYIQLVHQKX-LBPRGKRZSA-N 1 3 242.363 0.866 20 0 BCADHO COC(C)(C)C[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257648 412050920 /nfs/dbraw/zinc/05/09/20/412050920.db2.gz FJMRWZHEFJEJKD-LLVKDONJSA-N 1 3 242.363 0.864 20 0 BCADHO COC(C)(C)C[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662257648 412050922 /nfs/dbraw/zinc/05/09/22/412050922.db2.gz FJMRWZHEFJEJKD-LLVKDONJSA-N 1 3 242.363 0.864 20 0 BCADHO COC[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662259006 412052917 /nfs/dbraw/zinc/05/29/17/412052917.db2.gz NYEPJBJXRJYCOA-VXGBXAGGSA-N 1 3 240.347 0.618 20 0 BCADHO COC[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662259006 412052920 /nfs/dbraw/zinc/05/29/20/412052920.db2.gz NYEPJBJXRJYCOA-VXGBXAGGSA-N 1 3 240.347 0.618 20 0 BCADHO COC[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662259005 412054292 /nfs/dbraw/zinc/05/42/92/412054292.db2.gz NYEPJBJXRJYCOA-RYUDHWBXSA-N 1 3 240.347 0.618 20 0 BCADHO COC[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662259005 412054295 /nfs/dbraw/zinc/05/42/95/412054295.db2.gz NYEPJBJXRJYCOA-RYUDHWBXSA-N 1 3 240.347 0.618 20 0 BCADHO CN1CCC[C@@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662272135 412062683 /nfs/dbraw/zinc/06/26/83/412062683.db2.gz KMQNRGCOBHJNSB-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO C1=CCC(CN2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000662272282 412063742 /nfs/dbraw/zinc/06/37/42/412063742.db2.gz DFROSLKQZXQCFA-CQSZACIVSA-N 1 3 235.375 0.932 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)N ZINC000245918392 171098638 /nfs/dbraw/zinc/09/86/38/171098638.db2.gz GSPXXSMGUOXOFC-HBNTYKKESA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)N ZINC000245918392 171098640 /nfs/dbraw/zinc/09/86/40/171098640.db2.gz GSPXXSMGUOXOFC-HBNTYKKESA-N 1 3 225.336 0.419 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662273202 412065280 /nfs/dbraw/zinc/06/52/80/412065280.db2.gz MVYSXCMIHGZKLS-VXGBXAGGSA-N 1 3 227.352 0.178 20 0 BCADHO CO[C@@H](C[N@H+](C)C[C@@H](O)CN)C1CCC1 ZINC000662275609 412068248 /nfs/dbraw/zinc/06/82/48/412068248.db2.gz CYQFNCOPTXQCOZ-QWRGUYRKSA-N 1 3 216.325 0.053 20 0 BCADHO CO[C@@H](C[N@@H+](C)C[C@@H](O)CN)C1CCC1 ZINC000662275609 412068254 /nfs/dbraw/zinc/06/82/54/412068254.db2.gz CYQFNCOPTXQCOZ-QWRGUYRKSA-N 1 3 216.325 0.053 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000353458269 171146014 /nfs/dbraw/zinc/14/60/14/171146014.db2.gz IYRVKLMOWNDZBU-USZNOCQGSA-N 1 3 239.363 0.583 20 0 BCADHO C1=CCC(C[N@@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000662276758 412069579 /nfs/dbraw/zinc/06/95/79/412069579.db2.gz PMNZQGDIEBJCQD-AWEZNQCLSA-N 1 3 235.375 0.932 20 0 BCADHO C1=CCC(C[N@H+]2CC[C@H](N3CCNCC3)C2)C1 ZINC000662276758 412069582 /nfs/dbraw/zinc/06/95/82/412069582.db2.gz PMNZQGDIEBJCQD-AWEZNQCLSA-N 1 3 235.375 0.932 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)N(C)C ZINC000125099387 171224815 /nfs/dbraw/zinc/22/48/15/171224815.db2.gz ROIWWGMHXKUQEM-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000377789986 171225094 /nfs/dbraw/zinc/22/50/94/171225094.db2.gz VSQOTWYWAMQFDK-IJLUTSLNSA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)N(C)C ZINC000365504774 171225721 /nfs/dbraw/zinc/22/57/21/171225721.db2.gz CGBUAJZVWRSNII-GRYCIOLGSA-N 1 3 239.363 0.347 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)N(C)C ZINC000365504774 171225722 /nfs/dbraw/zinc/22/57/22/171225722.db2.gz CGBUAJZVWRSNII-GRYCIOLGSA-N 1 3 239.363 0.347 20 0 BCADHO CC[C@H](C(=O)NCC[NH3+])N(CC)CC ZINC000336656397 171228577 /nfs/dbraw/zinc/22/85/77/171228577.db2.gz HVLXICRXHQDTMA-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)N(C)C ZINC000338964654 171232011 /nfs/dbraw/zinc/23/20/11/171232011.db2.gz QWLXXPOYHDGYIQ-WDEREUQCSA-N 1 3 229.368 0.783 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000338963479 171232358 /nfs/dbraw/zinc/23/23/58/171232358.db2.gz KCEDLNMJVPFPHL-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000338963479 171232360 /nfs/dbraw/zinc/23/23/60/171232360.db2.gz KCEDLNMJVPFPHL-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO OCC1([NH2+]CCOCC2CC2)CCNCC1 ZINC000662287069 412079997 /nfs/dbraw/zinc/07/99/97/412079997.db2.gz RRIQDLRPHZXCIU-UHFFFAOYSA-N 1 3 228.336 0.117 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000247124326 171370581 /nfs/dbraw/zinc/37/05/81/171370581.db2.gz MYZPJUKICBEDCP-IVZWLZJFSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000226398096 171370931 /nfs/dbraw/zinc/37/09/31/171370931.db2.gz RGZVHDIDRCORHI-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000226398096 171370933 /nfs/dbraw/zinc/37/09/33/171370933.db2.gz RGZVHDIDRCORHI-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000019480112 171371245 /nfs/dbraw/zinc/37/12/45/171371245.db2.gz VCLGQFZCLYCOTD-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000019480112 171371246 /nfs/dbraw/zinc/37/12/46/171371246.db2.gz VCLGQFZCLYCOTD-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375255225 171393848 /nfs/dbraw/zinc/39/38/48/171393848.db2.gz DMRBEGHKNLMXCL-NGDQXYMTSA-N 1 3 239.363 0.841 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382921 171394651 /nfs/dbraw/zinc/39/46/51/171394651.db2.gz BLHCZHVSOZRBSI-MMWGEVLESA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484903 171395486 /nfs/dbraw/zinc/39/54/86/171395486.db2.gz SFONRDQYIAQCBS-DCAQKATOSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484903 171395487 /nfs/dbraw/zinc/39/54/87/171395487.db2.gz SFONRDQYIAQCBS-DCAQKATOSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000364775508 171396016 /nfs/dbraw/zinc/39/60/16/171396016.db2.gz HYPOGRBTDRMZEI-AXFHLTTASA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCCC[C@H]1C ZINC000662386494 412139809 /nfs/dbraw/zinc/13/98/09/412139809.db2.gz BBJPZVZGALLNLK-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000662387164 412140399 /nfs/dbraw/zinc/14/03/99/412140399.db2.gz ITWWLEWYZVRGFT-SRVKXCTJSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]CCCN1C[C@]2(C)COC[C@]2(C)C1 ZINC000662301429 412086007 /nfs/dbraw/zinc/08/60/07/412086007.db2.gz CSAGGXNOUYXYQP-TXEJJXNPSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCCN ZINC000662301229 412086656 /nfs/dbraw/zinc/08/66/56/412086656.db2.gz PMDRXCVYXFLKDJ-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCN ZINC000662301229 412086659 /nfs/dbraw/zinc/08/66/59/412086659.db2.gz PMDRXCVYXFLKDJ-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H](CO)[C@@H]1CCCCN1CCC[NH3+] ZINC000662301229 412086664 /nfs/dbraw/zinc/08/66/64/412086664.db2.gz PMDRXCVYXFLKDJ-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1CC2CC1(CN)C2 ZINC000662304744 412091903 /nfs/dbraw/zinc/09/19/03/412091903.db2.gz ASZNDNQCNULCSO-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1CC2CC1(CN)C2 ZINC000662304744 412091906 /nfs/dbraw/zinc/09/19/06/412091906.db2.gz ASZNDNQCNULCSO-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H](N)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662317079 412094652 /nfs/dbraw/zinc/09/46/52/412094652.db2.gz MNQJMCGZGNFYQS-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H](N)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662317079 412094657 /nfs/dbraw/zinc/09/46/57/412094657.db2.gz MNQJMCGZGNFYQS-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662332462 412106213 /nfs/dbraw/zinc/10/62/13/412106213.db2.gz WDQNDNVLTIOYIX-PWSUYJOCSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662332462 412106218 /nfs/dbraw/zinc/10/62/18/412106218.db2.gz WDQNDNVLTIOYIX-PWSUYJOCSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CC1(C)C ZINC000662332462 412106222 /nfs/dbraw/zinc/10/62/22/412106222.db2.gz WDQNDNVLTIOYIX-PWSUYJOCSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCN1CC ZINC000662364293 412122801 /nfs/dbraw/zinc/12/28/01/412122801.db2.gz XOGBLVZAXXGQBC-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCN1CC ZINC000662364297 412124186 /nfs/dbraw/zinc/12/41/86/412124186.db2.gz XOGBLVZAXXGQBC-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCCCCC1 ZINC000662379566 412131490 /nfs/dbraw/zinc/13/14/90/412131490.db2.gz DFOVHMGVTYXGSK-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000662442109 412177063 /nfs/dbraw/zinc/17/70/63/412177063.db2.gz QJPLFGZMECNPAR-GXSJLCMTSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826117 171476568 /nfs/dbraw/zinc/47/65/68/171476568.db2.gz YTHDYKPCFUJKRS-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H](CC)[NH2+]C ZINC000662462841 412182575 /nfs/dbraw/zinc/18/25/75/412182575.db2.gz OQNYNANNSDETFF-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000665243353 412186808 /nfs/dbraw/zinc/18/68/08/412186808.db2.gz AXYINMFMNVBZLU-DCAQKATOSA-N 1 3 209.337 0.563 20 0 BCADHO COCCCN(C)CCNC(=O)C[NH2+]C(C)C ZINC000662474661 412187488 /nfs/dbraw/zinc/18/74/88/412187488.db2.gz ASOXLCWMLMWPCY-UHFFFAOYSA-N 1 3 245.367 0.069 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662554346 412215023 /nfs/dbraw/zinc/21/50/23/412215023.db2.gz PJUCTZZULWMGSX-SKDRFNHKSA-N 1 3 233.315 0.684 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000662496828 412195133 /nfs/dbraw/zinc/19/51/33/412195133.db2.gz BWZXMRHNENHEEB-ZYHUDNBSSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000662496825 412195536 /nfs/dbraw/zinc/19/55/36/412195536.db2.gz BWZXMRHNENHEEB-JQWIXIFHSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)N1CCCC1 ZINC000662525395 412199444 /nfs/dbraw/zinc/19/94/44/412199444.db2.gz SAFNZBIRVJJDQH-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000662513649 412200508 /nfs/dbraw/zinc/20/05/08/412200508.db2.gz CIWYIFNPVRSVJV-VHSXEESVSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000662557887 412215673 /nfs/dbraw/zinc/21/56/73/412215673.db2.gz PHBGWOBKLALAOM-NXEZZACHSA-N 1 3 213.325 0.099 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662519624 412202363 /nfs/dbraw/zinc/20/23/63/412202363.db2.gz SWMZYVMUIGPZAD-MNOVXSKESA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662519535 412202836 /nfs/dbraw/zinc/20/28/36/412202836.db2.gz VREHNGHEUSAZGG-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000662520266 412203027 /nfs/dbraw/zinc/20/30/27/412203027.db2.gz HAUYOVMXBLLNNQ-GHMZBOCLSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000662525392 412203646 /nfs/dbraw/zinc/20/36/46/412203646.db2.gz SAFNZBIRVJJDQH-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[NH+](C)CCCNC(=O)c1cccc2c1CNC2 ZINC000662523030 412203769 /nfs/dbraw/zinc/20/37/69/412203769.db2.gz IXJRKTRSVQDOIB-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662522743 412204125 /nfs/dbraw/zinc/20/41/25/412204125.db2.gz MVJNYJDDSXDTEU-SRVKXCTJSA-N 1 3 239.363 0.442 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662522744 412204202 /nfs/dbraw/zinc/20/42/02/412204202.db2.gz MVJNYJDDSXDTEU-TUAOUCFPSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+]CCCNC(=O)c1cccc2c1CNC2 ZINC000662399049 412147346 /nfs/dbraw/zinc/14/73/46/412147346.db2.gz ZQEHWIQBIVGNCO-UHFFFAOYSA-N 1 3 233.315 0.629 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662403546 412149895 /nfs/dbraw/zinc/14/98/95/412149895.db2.gz GCVREQHLEUKCKH-JTQLQIEISA-N 1 3 231.299 0.463 20 0 BCADHO NC1(C(=O)N2CC[C@H](C[NH3+])C2)CC2(CCC2)C1 ZINC000662406894 412151410 /nfs/dbraw/zinc/15/14/10/412151410.db2.gz MGRZISHDTHISGV-SNVBAGLBSA-N 1 3 237.347 0.455 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN(C)C1CC1 ZINC000662410250 412154285 /nfs/dbraw/zinc/15/42/85/412154285.db2.gz XAHSIJZBPANNRD-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO CN(C(=O)c1cccc2c1CNC2)[C@@H]1CC[NH2+]C1 ZINC000662415671 412156794 /nfs/dbraw/zinc/15/67/94/412156794.db2.gz VGFKUNWVMILHLU-LLVKDONJSA-N 1 3 245.326 0.724 20 0 BCADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])[C@@H]1CCOC1 ZINC000665234627 412164585 /nfs/dbraw/zinc/16/45/85/412164585.db2.gz HLPALJMVDUVXLH-IRCOFANPSA-N 1 3 230.352 0.753 20 0 BCADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[C@H]1CCOC1 ZINC000665234629 412164670 /nfs/dbraw/zinc/16/46/70/412164670.db2.gz HLPALJMVDUVXLH-WISYIIOYSA-N 1 3 230.352 0.753 20 0 BCADHO COC[C@H](CC[NH2+][C@@H](C)C[C@@H](C)N)OC ZINC000665234396 412174496 /nfs/dbraw/zinc/17/44/96/412174496.db2.gz CFIHLMYZFXGKBQ-VWYCJHECSA-N 1 3 218.341 0.753 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662654679 412257671 /nfs/dbraw/zinc/25/76/71/412257671.db2.gz KULUXEGAHZBZOA-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO CC1(C)CC[NH2+][C@H]1C(=O)NCCN1CCCC1 ZINC000662669093 412266545 /nfs/dbraw/zinc/26/65/45/412266545.db2.gz VCHDBRAVIOCVQV-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676292 412267553 /nfs/dbraw/zinc/26/75/53/412267553.db2.gz UMFQTPGHOSXKQF-ZSWLNHAKSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CCC[NH3+] ZINC000662693657 412273403 /nfs/dbraw/zinc/27/34/03/412273403.db2.gz KODZMIFIIRJRHK-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000662692706 412273415 /nfs/dbraw/zinc/27/34/15/412273415.db2.gz FTJGAFUNIKWFSD-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662695401 412274535 /nfs/dbraw/zinc/27/45/35/412274535.db2.gz ZPHGQGCNSABMHK-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662695404 412274602 /nfs/dbraw/zinc/27/46/02/412274602.db2.gz ZPHGQGCNSABMHK-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000662695302 412274630 /nfs/dbraw/zinc/27/46/30/412274630.db2.gz YZNDQGXUOKBFGY-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000662702630 412275452 /nfs/dbraw/zinc/27/54/52/412275452.db2.gz AQJFQWVIHLSBHU-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN(C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662720225 412283448 /nfs/dbraw/zinc/28/34/48/412283448.db2.gz WJSBXGAPBACIPT-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662724165 412284603 /nfs/dbraw/zinc/28/46/03/412284603.db2.gz MBSKHWBLKFLKIH-ZYHUDNBSSA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)C1CCC1 ZINC000662731158 412286998 /nfs/dbraw/zinc/28/69/98/412286998.db2.gz YVXNDJIIZWQBIL-MNOVXSKESA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)C1(N)CCC1 ZINC000662730513 412287182 /nfs/dbraw/zinc/28/71/82/412287182.db2.gz HPGCHTPUWYCZQU-SECBINFHSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)NCC12CC(C1)C[NH2+]2 ZINC000665279466 412220228 /nfs/dbraw/zinc/22/02/28/412220228.db2.gz CWYCGTSFHGKZFI-QCXCNERSSA-N 1 3 239.363 0.095 20 0 BCADHO C[C@@H](CCCCO)[NH2+]CC12CC(C1)CN2 ZINC000665278529 412220969 /nfs/dbraw/zinc/22/09/69/412220969.db2.gz HNFBAXADSLEMCU-UNXYVOJBSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662565929 412221477 /nfs/dbraw/zinc/22/14/77/412221477.db2.gz ASXGSMHGCKCVSS-BDAKNGLRSA-N 1 3 233.315 0.755 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000665278340 412221599 /nfs/dbraw/zinc/22/15/99/412221599.db2.gz BLUCJANWLOGCIZ-UZEXVOJHSA-N 1 3 210.321 0.896 20 0 BCADHO OC1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000665279956 412224825 /nfs/dbraw/zinc/22/48/25/412224825.db2.gz QCCVDKGYWGALET-UHFFFAOYSA-N 1 3 210.321 0.632 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCNC(C)(C)C1 ZINC000662571832 412224940 /nfs/dbraw/zinc/22/49/40/412224940.db2.gz KZAMINPINXGHJZ-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1COCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280337 412225169 /nfs/dbraw/zinc/22/51/69/412225169.db2.gz ZGLGVODRSYBOAJ-QTAHKJALSA-N 1 3 210.321 0.753 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000662575964 412226278 /nfs/dbraw/zinc/22/62/78/412226278.db2.gz XMFXIBIIQSVHQU-UTLUCORTSA-N 1 3 213.325 0.038 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H](C)C1CCOCC1 ZINC000665296690 412230969 /nfs/dbraw/zinc/23/09/69/412230969.db2.gz WLRUUMAVGZGATA-VHSXEESVSA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@H](N[C@@H](C)C[NH2+]C)[C@H]1CCOC1 ZINC000665295622 412242495 /nfs/dbraw/zinc/24/24/95/412242495.db2.gz GRKPHDPTRUQROY-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621063 412244828 /nfs/dbraw/zinc/24/48/28/412244828.db2.gz TZKMKJKVJMLGQB-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621063 412244833 /nfs/dbraw/zinc/24/48/33/412244833.db2.gz TZKMKJKVJMLGQB-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662621063 412244835 /nfs/dbraw/zinc/24/48/35/412244835.db2.gz TZKMKJKVJMLGQB-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665299743 412246059 /nfs/dbraw/zinc/24/60/59/412246059.db2.gz RXEVCQHPHKHSIB-VWYCJHECSA-N 1 3 248.392 0.527 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)S(C)(=O)=O ZINC000665299743 412246061 /nfs/dbraw/zinc/24/60/61/412246061.db2.gz RXEVCQHPHKHSIB-VWYCJHECSA-N 1 3 248.392 0.527 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCOCCF)C1 ZINC000665298930 412246590 /nfs/dbraw/zinc/24/65/90/412246590.db2.gz CHXVCZFRODBHAP-NXEZZACHSA-N 1 3 204.289 0.832 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)S(C)(=O)=O ZINC000665298834 412247833 /nfs/dbraw/zinc/24/78/33/412247833.db2.gz ALLXJMWPVRBGPO-OPRDCNLKSA-N 1 3 234.365 0.137 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662629673 412248785 /nfs/dbraw/zinc/24/87/85/412248785.db2.gz AXJPOCPVGKBLLE-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662633653 412251746 /nfs/dbraw/zinc/25/17/46/412251746.db2.gz NAZXLGIARSLTBD-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662816877 412310063 /nfs/dbraw/zinc/31/00/63/412310063.db2.gz QCZIWTZJWGIIFL-IJLUTSLNSA-N 1 3 245.326 0.640 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000662829001 412313601 /nfs/dbraw/zinc/31/36/01/412313601.db2.gz KEVNUMIGZBOTCC-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000662832054 412315158 /nfs/dbraw/zinc/31/51/58/412315158.db2.gz IIUGNOLHKUWYFZ-UWVGGRQHSA-N 1 3 213.325 0.323 20 0 BCADHO NCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662844825 412319918 /nfs/dbraw/zinc/31/99/18/412319918.db2.gz BHUYFAWSWPWGCN-LLVKDONJSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H](CCNC(=O)[C@H]1CCCCN1)[NH+](C)C ZINC000662860372 412327876 /nfs/dbraw/zinc/32/78/76/412327876.db2.gz RIZXYWCUSAYDCJ-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]C1 ZINC000662945905 412351023 /nfs/dbraw/zinc/35/10/23/412351023.db2.gz WRHUENSHZRMVLS-FOGDFJRCSA-N 1 3 243.326 0.274 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)C[NH2+]C ZINC000662965016 412352318 /nfs/dbraw/zinc/35/23/18/412352318.db2.gz GZLMMCLVLWYHSO-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)C[NH2+]C ZINC000662965014 412357389 /nfs/dbraw/zinc/35/73/89/412357389.db2.gz GZLMMCLVLWYHSO-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662968485 412359640 /nfs/dbraw/zinc/35/96/40/412359640.db2.gz IYIPCKPGKPPTPS-VIFPVBQESA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CC[C@H](C)C1 ZINC000662746806 412290014 /nfs/dbraw/zinc/29/00/14/412290014.db2.gz RSCMTRZIJKAIEY-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754358 412290896 /nfs/dbraw/zinc/29/08/96/412290896.db2.gz LMQOSCTXAVMFGX-KOLCDFICSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662755919 412290900 /nfs/dbraw/zinc/29/09/00/412290900.db2.gz DMVVMNVGTNXQJO-VIFPVBQESA-N 1 3 225.336 0.359 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662756918 412293122 /nfs/dbraw/zinc/29/31/22/412293122.db2.gz JHMXWYLCYDRLOB-JTQLQIEISA-N 1 3 247.342 0.657 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)c1cccc2c1CCNC2 ZINC000662763535 412293500 /nfs/dbraw/zinc/29/35/00/412293500.db2.gz FHTKOMLYLRKNFS-SNVBAGLBSA-N 1 3 247.342 0.799 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000662763737 412293858 /nfs/dbraw/zinc/29/38/58/412293858.db2.gz IJYVFUQMEGPELH-SECBINFHSA-N 1 3 225.336 0.515 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCNc2cnccn2)C1 ZINC000572542005 412302008 /nfs/dbraw/zinc/30/20/08/412302008.db2.gz PZMZOFHJBNSQBK-GHMZBOCLSA-N 1 3 235.335 0.748 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662788007 412302618 /nfs/dbraw/zinc/30/26/18/412302618.db2.gz FPJCHHVFKRPWER-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N(CC)CC ZINC000663011728 412370234 /nfs/dbraw/zinc/37/02/34/412370234.db2.gz QTBKKOUMFFIMGP-AAEUAGOBSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132945822 412373319 /nfs/dbraw/zinc/37/33/19/412373319.db2.gz HOZUDCICINUDKJ-KXUCPTDWSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132945822 412373321 /nfs/dbraw/zinc/37/33/21/412373321.db2.gz HOZUDCICINUDKJ-KXUCPTDWSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CCN1C ZINC000132971863 412378334 /nfs/dbraw/zinc/37/83/34/412378334.db2.gz HQYFURLOBGHIJY-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO CN(C(=O)NC[C@@H]1CCCN1C)C1CC([NH3+])C1 ZINC000333896878 172320364 /nfs/dbraw/zinc/32/03/64/172320364.db2.gz AWHRQLYQJFKOKD-YVNMAJEFSA-N 1 3 240.351 0.212 20 0 BCADHO CN(C)C(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000037898075 172357768 /nfs/dbraw/zinc/35/77/68/172357768.db2.gz DZXSASTWFAXLLL-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CN(C)C/C=C/C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363058360 172397475 /nfs/dbraw/zinc/39/74/75/172397475.db2.gz NRUZRYVIUKROFN-FVOPLDGLSA-N 1 3 237.347 0.411 20 0 BCADHO CN(C)C/C=C/C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000363058360 172397479 /nfs/dbraw/zinc/39/74/79/172397479.db2.gz NRUZRYVIUKROFN-FVOPLDGLSA-N 1 3 237.347 0.411 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[NH2+]CC1CC1 ZINC000061645024 172494826 /nfs/dbraw/zinc/49/48/26/172494826.db2.gz IVXGRRRLHCNSHB-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000037478188 173012126 /nfs/dbraw/zinc/01/21/26/173012126.db2.gz VGFMAYIFVSLYJB-UHFFFAOYSA-N 1 3 225.336 0.293 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](CO)C1 ZINC000305621777 173026788 /nfs/dbraw/zinc/02/67/88/173026788.db2.gz IGSPECDIAYJOTE-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](CO)C1 ZINC000305621777 173026790 /nfs/dbraw/zinc/02/67/90/173026790.db2.gz IGSPECDIAYJOTE-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237122808 173039388 /nfs/dbraw/zinc/03/93/88/173039388.db2.gz TYMDMHIQMPNLHA-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000305660808 173050929 /nfs/dbraw/zinc/05/09/29/173050929.db2.gz OFTHRMWRZMBWKG-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000305660808 173050930 /nfs/dbraw/zinc/05/09/30/173050930.db2.gz OFTHRMWRZMBWKG-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000224049230 173052633 /nfs/dbraw/zinc/05/26/33/173052633.db2.gz VHXFTZUSRCDXNG-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333934973 173053755 /nfs/dbraw/zinc/05/37/55/173053755.db2.gz JAGRBYYSZLMISQ-MNOVXSKESA-N 1 3 240.351 0.213 20 0 BCADHO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(C)(C)N ZINC000371262371 173059248 /nfs/dbraw/zinc/05/92/48/173059248.db2.gz LGEQTKZOYYBGFR-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C(C)(C)N ZINC000371262371 173059249 /nfs/dbraw/zinc/05/92/49/173059249.db2.gz LGEQTKZOYYBGFR-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464041 173114150 /nfs/dbraw/zinc/11/41/50/173114150.db2.gz PBBMBDVLQNOLNX-VHSXEESVSA-N 1 3 227.352 0.428 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464041 173114152 /nfs/dbraw/zinc/11/41/52/173114152.db2.gz PBBMBDVLQNOLNX-VHSXEESVSA-N 1 3 227.352 0.428 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037484883 173115328 /nfs/dbraw/zinc/11/53/28/173115328.db2.gz QJVHVQVYVNJXBH-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037484883 173115331 /nfs/dbraw/zinc/11/53/31/173115331.db2.gz QJVHVQVYVNJXBH-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000364094559 173143905 /nfs/dbraw/zinc/14/39/05/173143905.db2.gz MJCOAZPHJJDPBC-GARJFASQSA-N 1 3 243.326 0.097 20 0 BCADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000364094559 173143906 /nfs/dbraw/zinc/14/39/06/173143906.db2.gz MJCOAZPHJJDPBC-GARJFASQSA-N 1 3 243.326 0.097 20 0 BCADHO CN1CC[C@H](N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000131284810 173150971 /nfs/dbraw/zinc/15/09/71/173150971.db2.gz GLJOZNYXFRAZIE-USZNOCQGSA-N 1 3 237.347 0.276 20 0 BCADHO CN1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1=O ZINC000310126692 173186703 /nfs/dbraw/zinc/18/67/03/173186703.db2.gz GCQABGAGVMEWOW-HSTDOPHLSA-N 1 3 237.347 0.432 20 0 BCADHO CNC(=O)CCCN(C)C[C@]1(C)CC[NH2+]C1 ZINC000340709273 173238023 /nfs/dbraw/zinc/23/80/23/173238023.db2.gz HJURIMFXTULVJB-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000309094859 173280642 /nfs/dbraw/zinc/28/06/42/173280642.db2.gz DMELJZZBAREXSI-VHSXEESVSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000309094859 173280643 /nfs/dbraw/zinc/28/06/43/173280643.db2.gz DMELJZZBAREXSI-VHSXEESVSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000358288764 173282826 /nfs/dbraw/zinc/28/28/26/173282826.db2.gz OHUVEHZWMSBIQW-SDDRHHMPSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000358288764 173282827 /nfs/dbraw/zinc/28/28/27/173282827.db2.gz OHUVEHZWMSBIQW-SDDRHHMPSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000226439127 173293916 /nfs/dbraw/zinc/29/39/16/173293916.db2.gz XKSMTIDRQDKNKH-WDEREUQCSA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCCNC1 ZINC000226439127 173293917 /nfs/dbraw/zinc/29/39/17/173293917.db2.gz XKSMTIDRQDKNKH-WDEREUQCSA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226439127 173293918 /nfs/dbraw/zinc/29/39/18/173293918.db2.gz XKSMTIDRQDKNKH-WDEREUQCSA-N 1 3 227.352 0.300 20 0 BCADHO CNCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946138 173328470 /nfs/dbraw/zinc/32/84/70/173328470.db2.gz RTOIAKWSAOLSLE-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946138 173328472 /nfs/dbraw/zinc/32/84/72/173328472.db2.gz RTOIAKWSAOLSLE-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000237231301 173328901 /nfs/dbraw/zinc/32/89/01/173328901.db2.gz IGNMIKHDMOCLAC-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000237221775 173328987 /nfs/dbraw/zinc/32/89/87/173328987.db2.gz HVWULPSBPKVGOL-RYUDHWBXSA-N 1 3 241.379 0.690 20 0 BCADHO CNCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000019503968 173329250 /nfs/dbraw/zinc/32/92/50/173329250.db2.gz SIEJFIHMIUSMFN-UHFFFAOYSA-N 1 3 249.358 0.844 20 0 BCADHO CNCC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000019503968 173329251 /nfs/dbraw/zinc/32/92/51/173329251.db2.gz SIEJFIHMIUSMFN-UHFFFAOYSA-N 1 3 249.358 0.844 20 0 BCADHO C[NH2+]CC(=O)NCCN(C)Cc1ccccc1 ZINC000165931792 173329328 /nfs/dbraw/zinc/32/93/28/173329328.db2.gz JJKIOCVVCJNKDZ-UHFFFAOYSA-N 1 3 235.331 0.454 20 0 BCADHO CNCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000077341706 173329516 /nfs/dbraw/zinc/32/95/16/173329516.db2.gz CVHVOQOEKPTRDS-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000077341706 173329518 /nfs/dbraw/zinc/32/95/18/173329518.db2.gz CVHVOQOEKPTRDS-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)NCC1([NH3+])CCCCCC1 ZINC000122418748 173329694 /nfs/dbraw/zinc/32/96/94/173329694.db2.gz WFNJOVCYMWCKFB-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CNCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237262131 173331310 /nfs/dbraw/zinc/33/13/10/173331310.db2.gz QRTMGVRYNABFQP-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CNCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237265337 173331460 /nfs/dbraw/zinc/33/14/60/173331460.db2.gz ZFEYQOWALRJTQG-SNVBAGLBSA-N 1 3 201.314 0.086 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000357240792 173341246 /nfs/dbraw/zinc/34/12/46/173341246.db2.gz KGAGLZQTBHDASP-MWLCHTKSSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]CCCNC(=O)C1(N)CCCCC1 ZINC000131623601 173347497 /nfs/dbraw/zinc/34/74/97/173347497.db2.gz VYWSJJGJENUGKX-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](N)CC(C)C ZINC000083343677 173347760 /nfs/dbraw/zinc/34/77/60/173347760.db2.gz KMMJWSMEBFSUNK-VIFPVBQESA-N 1 3 201.314 0.086 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000226399312 173363567 /nfs/dbraw/zinc/36/35/67/173363567.db2.gz OXJOGNMJFLIZEY-ZJUUUORDSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(CC(C)(C)O)C1 ZINC000040601601 173367588 /nfs/dbraw/zinc/36/75/88/173367588.db2.gz RCBHVEPHVSNTLD-JTQLQIEISA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000336269223 173369824 /nfs/dbraw/zinc/36/98/24/173369824.db2.gz SQFGUYKMXWHESY-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN(C)C(C)C ZINC000375070385 173371894 /nfs/dbraw/zinc/37/18/94/173371894.db2.gz HAXCBJBRTPQENI-QWRGUYRKSA-N 1 3 245.342 0.485 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000261551635 173373885 /nfs/dbraw/zinc/37/38/85/173373885.db2.gz QQEITJAYVCHWQL-GUBZILKMSA-N 1 3 213.325 0.051 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000226394646 173374237 /nfs/dbraw/zinc/37/42/37/173374237.db2.gz MDPIFUYNFITDKD-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO COC1(CNC[C@@](C)(O)C[NH+](C)C)CCCC1 ZINC000319339264 174001890 /nfs/dbraw/zinc/00/18/90/174001890.db2.gz QPBSHGXXEJKKOT-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO COCCN(C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000061380608 174277825 /nfs/dbraw/zinc/27/78/25/174277825.db2.gz YCAMHBSBYNEQIM-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO CCN1CCCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000383489543 487630295 /nfs/dbraw/zinc/63/02/95/487630295.db2.gz APEIQBYNIYNETP-CYBMUJFWSA-N 1 3 243.395 0.327 20 0 BCADHO CCN1CCCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000383489543 487630298 /nfs/dbraw/zinc/63/02/98/487630298.db2.gz APEIQBYNIYNETP-CYBMUJFWSA-N 1 3 243.395 0.327 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237565993 176102992 /nfs/dbraw/zinc/10/29/92/176102992.db2.gz VBQKYYZICIBDFB-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000237565993 176102994 /nfs/dbraw/zinc/10/29/94/176102994.db2.gz VBQKYYZICIBDFB-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](N)C1CCC1 ZINC000332472005 176184911 /nfs/dbraw/zinc/18/49/11/176184911.db2.gz MOTGRQSKZLUEAK-DVVUODLYSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCc2n[nH]cc2C1 ZINC000332634734 176185393 /nfs/dbraw/zinc/18/53/93/176185393.db2.gz ZZPVZSQWFMLWNN-CDMKHQONSA-N 1 3 234.347 0.855 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000367509401 176187609 /nfs/dbraw/zinc/18/76/09/176187609.db2.gz ZCCZLRZWMCRNER-SVDPJWKOSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000333846346 176251537 /nfs/dbraw/zinc/25/15/37/176251537.db2.gz PELPJWOEVWWNQH-MXWKQRLJSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](C)CN1 ZINC000332147132 176251669 /nfs/dbraw/zinc/25/16/69/176251669.db2.gz NRZQIDDNPCYIND-KKZNHRDASA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CCCC1 ZINC000362390424 176275757 /nfs/dbraw/zinc/27/57/57/176275757.db2.gz SMNAERXXTSQEFF-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CCCC1 ZINC000362390424 176275758 /nfs/dbraw/zinc/27/57/58/176275758.db2.gz SMNAERXXTSQEFF-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CC[NH3+] ZINC000331747274 176280789 /nfs/dbraw/zinc/28/07/89/176280789.db2.gz DQQJYCPQHCJWNC-KOLCDFICSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000246546512 176322614 /nfs/dbraw/zinc/32/26/14/176322614.db2.gz QRVWWBVCEYQBPX-WOPDTQHZSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000094459697 176322867 /nfs/dbraw/zinc/32/28/67/176322867.db2.gz SSHLECNLALBECW-UTUOFQBUSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(N)CCCC1 ZINC000335290624 176327637 /nfs/dbraw/zinc/32/76/37/176327637.db2.gz KUWNCVJGSOHZTO-ZJUUUORDSA-N 1 3 225.336 0.372 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCC1 ZINC000335451762 487634520 /nfs/dbraw/zinc/63/45/20/487634520.db2.gz GFGVWMZBXVWLCB-LBPRGKRZSA-N 1 3 237.347 0.470 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000237611771 176659506 /nfs/dbraw/zinc/65/95/06/176659506.db2.gz ZZGFADAISFQVRE-PWSUYJOCSA-N 1 3 235.331 0.882 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000295192979 176827907 /nfs/dbraw/zinc/82/79/07/176827907.db2.gz ODEYBXVHDSLFTD-GXFFZTMASA-N 1 3 247.342 0.943 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(C)CC1 ZINC000186847737 177175048 /nfs/dbraw/zinc/17/50/48/177175048.db2.gz FSHQGAKNPAZWMR-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1CC[C@@H](C(N)=O)CN1CCC[NH2+]C1CC1 ZINC000042438673 177182206 /nfs/dbraw/zinc/18/22/06/177182206.db2.gz IIOYNAWEUYFHOI-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCNC1CC1 ZINC000042438673 177182207 /nfs/dbraw/zinc/18/22/07/177182207.db2.gz IIOYNAWEUYFHOI-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCNC1CC1 ZINC000042438673 177182208 /nfs/dbraw/zinc/18/22/08/177182208.db2.gz IIOYNAWEUYFHOI-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CN(C(=O)CC2(C[NH3+])CC2)[C@@H](C)CN1 ZINC000335157075 177214130 /nfs/dbraw/zinc/21/41/30/177214130.db2.gz PPNLYLKZBONPDL-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCN(C)C ZINC000362877201 177233517 /nfs/dbraw/zinc/23/35/17/177233517.db2.gz RZJVMQKHTCSWBW-QWRGUYRKSA-N 1 3 227.352 0.204 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCN(C)C ZINC000362877201 177233519 /nfs/dbraw/zinc/23/35/19/177233519.db2.gz RZJVMQKHTCSWBW-QWRGUYRKSA-N 1 3 227.352 0.204 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CC[NH2+]1 ZINC000336550410 177328634 /nfs/dbraw/zinc/32/86/34/177328634.db2.gz HAPCHQDLOZTUQK-QWRGUYRKSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@H]1C[C@@H]1C[NH2+]CC1(O)CCN(C)CC1 ZINC000309099413 177344988 /nfs/dbraw/zinc/34/49/88/177344988.db2.gz FBQWBZUYMKRCLD-WDEREUQCSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CN)C1 ZINC000237581967 177358296 /nfs/dbraw/zinc/35/82/96/177358296.db2.gz IRWXSEILVWLIKV-QWRGUYRKSA-N 1 3 227.352 0.429 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N)CC[N@@H+]1C ZINC000132923247 177367186 /nfs/dbraw/zinc/36/71/86/177367186.db2.gz GWTDEJXCYCNVQR-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N)CC[N@H+]1C ZINC000132923247 177367187 /nfs/dbraw/zinc/36/71/87/177367187.db2.gz GWTDEJXCYCNVQR-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CCO1 ZINC000359322367 177369567 /nfs/dbraw/zinc/36/95/67/177369567.db2.gz MXUZCVLYVGGUDQ-NWDGAFQWSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H](CNC(=O)CC[NH2+]C1CC1)N(C)C ZINC000038089340 487640784 /nfs/dbraw/zinc/64/07/84/487640784.db2.gz XVJQHSLHUSCJPH-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000383598912 487644739 /nfs/dbraw/zinc/64/47/39/487644739.db2.gz PQUZFQVBQWRNLX-QWHCGFSZSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000383598912 487644736 /nfs/dbraw/zinc/64/47/36/487644736.db2.gz PQUZFQVBQWRNLX-QWHCGFSZSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494660667 226267281 /nfs/dbraw/zinc/26/72/81/226267281.db2.gz GGZQTZVBUQHMRD-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649521 226310628 /nfs/dbraw/zinc/31/06/28/226310628.db2.gz KQDZVOVHEXJEOD-MNOVXSKESA-N 1 3 241.335 0.688 20 0 BCADHO C[NH2+]CCCN(C)C(=O)CNC(C)C ZINC000087471741 487659263 /nfs/dbraw/zinc/65/92/63/487659263.db2.gz UGLJHODFRZXOFN-UHFFFAOYSA-N 1 3 201.314 0.052 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@@H](N)C(C)(C)C ZINC000309147646 487668467 /nfs/dbraw/zinc/66/84/67/487668467.db2.gz VPCYEAITMKQKGY-MRVPVSSYSA-N 1 3 201.314 0.167 20 0 BCADHO [NH3+]C[C@]12CCC[C@H]1CN(CCn1cccn1)C2 ZINC000383752634 487670487 /nfs/dbraw/zinc/67/04/87/487670487.db2.gz ZVZYEXVVQILZFR-STQMWFEESA-N 1 3 234.347 0.944 20 0 BCADHO NC[C@]12CCC[C@H]1C[N@H+](CCn1cccn1)C2 ZINC000383752634 487670490 /nfs/dbraw/zinc/67/04/90/487670490.db2.gz ZVZYEXVVQILZFR-STQMWFEESA-N 1 3 234.347 0.944 20 0 BCADHO NC[C@]12CCC[C@H]1C[N@@H+](CCn1cccn1)C2 ZINC000383752634 487670492 /nfs/dbraw/zinc/67/04/92/487670492.db2.gz ZVZYEXVVQILZFR-STQMWFEESA-N 1 3 234.347 0.944 20 0 BCADHO OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCNC2)C1 ZINC000308830552 229250845 /nfs/dbraw/zinc/25/08/45/229250845.db2.gz UDEWBRRONOLBAI-TUAOUCFPSA-N 1 3 212.337 0.737 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775313 487673217 /nfs/dbraw/zinc/67/32/17/487673217.db2.gz OBEKIJRDXMKUDI-RWMBFGLXSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775313 487673220 /nfs/dbraw/zinc/67/32/20/487673220.db2.gz OBEKIJRDXMKUDI-RWMBFGLXSA-N 1 3 244.379 0.390 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000054075507 487683580 /nfs/dbraw/zinc/68/35/80/487683580.db2.gz GOWISBLNXZHFNN-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)N(C)C ZINC000653112645 487687635 /nfs/dbraw/zinc/68/76/35/487687635.db2.gz FJNCPJBGYXMZIX-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CN1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000669403063 487704557 /nfs/dbraw/zinc/70/45/57/487704557.db2.gz HFRPKSRLMIJVLT-GHMZBOCLSA-N 1 3 240.351 0.213 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000659645634 487710174 /nfs/dbraw/zinc/71/01/74/487710174.db2.gz KLZSCQQPTWLYMF-GHMZBOCLSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000151735170 487714251 /nfs/dbraw/zinc/71/42/51/487714251.db2.gz OLCJQISNXBYKFG-LLVKDONJSA-N 1 3 229.368 0.864 20 0 BCADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCN ZINC000336691309 487718553 /nfs/dbraw/zinc/71/85/53/487718553.db2.gz PSSNNNYIHWDHMV-WDEREUQCSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@H](O)C[C@H]1CCCC[N@H+]1CCCN ZINC000336691309 487718558 /nfs/dbraw/zinc/71/85/58/487718558.db2.gz PSSNNNYIHWDHMV-WDEREUQCSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@H](O)C[C@H]1CCCCN1CCC[NH3+] ZINC000336691309 487718563 /nfs/dbraw/zinc/71/85/63/487718563.db2.gz PSSNNNYIHWDHMV-WDEREUQCSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCN ZINC000336691306 487718645 /nfs/dbraw/zinc/71/86/45/487718645.db2.gz PSSNNNYIHWDHMV-GHMZBOCLSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCN ZINC000336691306 487718649 /nfs/dbraw/zinc/71/86/49/487718649.db2.gz PSSNNNYIHWDHMV-GHMZBOCLSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@@H](O)C[C@H]1CCCCN1CCC[NH3+] ZINC000336691306 487718654 /nfs/dbraw/zinc/71/86/54/487718654.db2.gz PSSNNNYIHWDHMV-GHMZBOCLSA-N 1 3 200.326 0.961 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000082772561 487729817 /nfs/dbraw/zinc/72/98/17/487729817.db2.gz UPZKKTIUQFUSNN-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000250356596 487730957 /nfs/dbraw/zinc/73/09/57/487730957.db2.gz OYMCVKWTWLDIBY-NWDGAFQWSA-N 1 3 227.352 0.001 20 0 BCADHO CCN(CCNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000226398145 487731217 /nfs/dbraw/zinc/73/12/17/487731217.db2.gz CDVDIEBZUIVKKK-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CN(C[C@H]1CNCCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250428973 487732274 /nfs/dbraw/zinc/73/22/74/487732274.db2.gz QRRVDIPLRQEWPH-QWHCGFSZSA-N 1 3 239.363 0.143 20 0 BCADHO CN(C[C@H]1CNCCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250428973 487732276 /nfs/dbraw/zinc/73/22/76/487732276.db2.gz QRRVDIPLRQEWPH-QWHCGFSZSA-N 1 3 239.363 0.143 20 0 BCADHO O=C1CC[C@@H]2CN(C[C@H]3CC[NH2+]C3)CC[C@H]2N1 ZINC000250680147 487739277 /nfs/dbraw/zinc/73/92/77/487739277.db2.gz XXXZBBWWRRQJPX-QJPTWQEYSA-N 1 3 237.347 0.196 20 0 BCADHO C[NH2+]CCCN1CCCC[C@@H]1CCO ZINC000042409296 487741007 /nfs/dbraw/zinc/74/10/07/487741007.db2.gz DMGKVQNLSYFSQX-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@@H]1CCO ZINC000042409296 487741012 /nfs/dbraw/zinc/74/10/12/487741012.db2.gz DMGKVQNLSYFSQX-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO CNCCC[N@H+]1CCCC[C@@H]1CCO ZINC000042409296 487741015 /nfs/dbraw/zinc/74/10/15/487741015.db2.gz DMGKVQNLSYFSQX-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO CNC(=O)[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000226438293 487747342 /nfs/dbraw/zinc/74/73/42/487747342.db2.gz VJDFQPGMRPFVAZ-GHMZBOCLSA-N 1 3 225.336 0.054 20 0 BCADHO CC[C@H]1CN(CC(C)(C)O)CC[C@H]1[NH3+] ZINC000251748089 487795554 /nfs/dbraw/zinc/79/55/54/487795554.db2.gz LFIGQKAEVHRCRO-VHSXEESVSA-N 1 3 200.326 0.817 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000647708423 487829587 /nfs/dbraw/zinc/82/95/87/487829587.db2.gz LKUNPAMZLFFILK-SFYZADRCSA-N 1 3 235.278 0.309 20 0 BCADHO C[C@H](CNC(=[NH2+])NC1CCC1)CN(C)C ZINC000849029991 588442295 /nfs/dbraw/zinc/44/22/95/588442295.db2.gz BZLUILQBHGJAJG-SECBINFHSA-N 1 3 212.341 0.851 20 0 BCADHO CCN(CC(=O)N(C)C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666620267 487846389 /nfs/dbraw/zinc/84/63/89/487846389.db2.gz ZSGKUCXYTFNMJE-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CCOC(=O)N1CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000496878524 529022417 /nfs/dbraw/zinc/02/24/17/529022417.db2.gz ZJBOAIDGZDWCPW-VWYCJHECSA-N 1 3 243.351 0.933 20 0 BCADHO CCNC(=O)CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666627476 487847895 /nfs/dbraw/zinc/84/78/95/487847895.db2.gz FCMDHEUMUCIPEZ-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000389983093 487849785 /nfs/dbraw/zinc/84/97/85/487849785.db2.gz KJKWWIRYQQTXPE-MRVPVSSYSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000566194884 322963886 /nfs/dbraw/zinc/96/38/86/322963886.db2.gz PPZNYBUOGUZJCL-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](O)CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000235223341 487884438 /nfs/dbraw/zinc/88/44/38/487884438.db2.gz LOSDDKYUQRBPMB-GHMZBOCLSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@@H](O)C[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000235223341 487884444 /nfs/dbraw/zinc/88/44/44/487884444.db2.gz LOSDDKYUQRBPMB-GHMZBOCLSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@@H](O)C[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000235223341 487884451 /nfs/dbraw/zinc/88/44/51/487884451.db2.gz LOSDDKYUQRBPMB-GHMZBOCLSA-N 1 3 212.337 0.831 20 0 BCADHO CCN(CCNC(=O)NC[C@H](C)[NH3+])C1CC1 ZINC000669444474 487888850 /nfs/dbraw/zinc/88/88/50/487888850.db2.gz QXPXVUAOXDWXAK-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000669462780 487909426 /nfs/dbraw/zinc/90/94/26/487909426.db2.gz FQKHNRIEGSQXEY-IUCAKERBSA-N 1 3 228.340 0.116 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157710694 487919055 /nfs/dbraw/zinc/91/90/55/487919055.db2.gz GHFKCESTZHXXMK-UWVGGRQHSA-N 1 3 213.325 0.310 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000652335869 487924920 /nfs/dbraw/zinc/92/49/20/487924920.db2.gz MXKXLARGEDZUMG-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](C)C1 ZINC000652335869 487924922 /nfs/dbraw/zinc/92/49/22/487924922.db2.gz MXKXLARGEDZUMG-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C)C1 ZINC000652335869 487924926 /nfs/dbraw/zinc/92/49/26/487924926.db2.gz MXKXLARGEDZUMG-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364273 487933959 /nfs/dbraw/zinc/93/39/59/487933959.db2.gz CHWFBXTZCHZGCP-UWVGGRQHSA-N 1 3 234.290 0.688 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652364273 487933962 /nfs/dbraw/zinc/93/39/62/487933962.db2.gz CHWFBXTZCHZGCP-UWVGGRQHSA-N 1 3 234.290 0.688 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000055089307 487934850 /nfs/dbraw/zinc/93/48/50/487934850.db2.gz JJASWJRYSCMDFX-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+]CCOCCN1CC[C@]2(CC2(F)F)C1 ZINC000652364468 487934411 /nfs/dbraw/zinc/93/44/11/487934411.db2.gz RMSZYVJGZZYIJG-VIFPVBQESA-N 1 3 220.263 0.693 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669474602 487937559 /nfs/dbraw/zinc/93/75/59/487937559.db2.gz ICEMYSMQWJPPKY-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)[N@H+](C)C1CC1 ZINC000188755726 487949148 /nfs/dbraw/zinc/94/91/48/487949148.db2.gz HAJMOXKXSIOVEZ-ATZCPNFKSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)[N@@H+](C)C1CC1 ZINC000188755726 487949152 /nfs/dbraw/zinc/94/91/52/487949152.db2.gz HAJMOXKXSIOVEZ-ATZCPNFKSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000397489218 323021200 /nfs/dbraw/zinc/02/12/00/323021200.db2.gz YFHPTMYRXFFLMR-WOPDTQHZSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000397489218 323021201 /nfs/dbraw/zinc/02/12/01/323021201.db2.gz YFHPTMYRXFFLMR-WOPDTQHZSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@H](C)N(CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397489218 323021202 /nfs/dbraw/zinc/02/12/02/323021202.db2.gz YFHPTMYRXFFLMR-WOPDTQHZSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CCNC[C@H]1C(F)F ZINC000569724522 323038886 /nfs/dbraw/zinc/03/88/86/323038886.db2.gz VJPZIBOGYLWBLC-ZJUUUORDSA-N 1 3 235.322 0.899 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CCNC[C@@H]1C(F)F ZINC000569724519 323038916 /nfs/dbraw/zinc/03/89/16/323038916.db2.gz VJPZIBOGYLWBLC-NXEZZACHSA-N 1 3 235.322 0.899 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)CNC1CC1)C1CC1 ZINC000569842053 323042575 /nfs/dbraw/zinc/04/25/75/323042575.db2.gz AWRRJOWXXCNBRV-LLVKDONJSA-N 1 3 225.336 0.195 20 0 BCADHO CO[C@@H]1COC[C@H]1[NH2+]CCCN1CCCCC1 ZINC000570088540 323049498 /nfs/dbraw/zinc/04/94/98/323049498.db2.gz GJZCLELUUQXCIF-CHWSQXEVSA-N 1 3 242.363 0.866 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)CC(C)(C)C ZINC000570169196 323051822 /nfs/dbraw/zinc/05/18/22/323051822.db2.gz OUNWEGYZSATYIF-NSHDSACASA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)CC(C)(C)C ZINC000570169196 323051823 /nfs/dbraw/zinc/05/18/23/323051823.db2.gz OUNWEGYZSATYIF-NSHDSACASA-N 1 3 202.342 0.935 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CC(C)(C)C ZINC000570169196 323051824 /nfs/dbraw/zinc/05/18/24/323051824.db2.gz OUNWEGYZSATYIF-NSHDSACASA-N 1 3 202.342 0.935 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)CC(F)F ZINC000570214726 323052975 /nfs/dbraw/zinc/05/29/75/323052975.db2.gz BNFIPEGXUHKAIK-ACZMJKKPSA-N 1 3 223.267 0.211 20 0 BCADHO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000570334766 323056355 /nfs/dbraw/zinc/05/63/55/323056355.db2.gz MWCHFRIWIQBTCT-JFGNBEQYSA-N 1 3 237.347 0.419 20 0 BCADHO O=C(CNC1CC1)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000570398220 323058348 /nfs/dbraw/zinc/05/83/48/323058348.db2.gz TVSWOWVLBIWXMX-LLVKDONJSA-N 1 3 223.320 0.091 20 0 BCADHO CN(CC[NH3+])C(=O)C1CCN(C2CC2)CC1 ZINC000570449520 323059777 /nfs/dbraw/zinc/05/97/77/323059777.db2.gz JZPRIHYZFORNSG-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C[NH2+]CC2CC2)C1 ZINC000570725288 323068675 /nfs/dbraw/zinc/06/86/75/323068675.db2.gz RQUWZJFURIDPJT-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN([C@@H](C)CN2CCOCC2)C1 ZINC000570720940 323068731 /nfs/dbraw/zinc/06/87/31/323068731.db2.gz PTJHVCZYQCCSQN-RWMBFGLXSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000570849994 323072530 /nfs/dbraw/zinc/07/25/30/323072530.db2.gz VJLPTEAYRIHXNG-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000567814856 323087435 /nfs/dbraw/zinc/08/74/35/323087435.db2.gz GLEJUOQFWKUOGI-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000494573461 323088641 /nfs/dbraw/zinc/08/86/41/323088641.db2.gz FZKVEFNSERDCMN-OUAUKWLOSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062971999 323088795 /nfs/dbraw/zinc/08/87/95/323088795.db2.gz AYRFDIJGXXTTEH-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO [NH3+]CCCCC(=O)N1CCN2CCC1CC2 ZINC000563094354 323091890 /nfs/dbraw/zinc/09/18/90/323091890.db2.gz GNRXGNFKVJMVLJ-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)C1CC1 ZINC000563097335 323092205 /nfs/dbraw/zinc/09/22/05/323092205.db2.gz UFIWEAWNFLSTDF-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000563100187 323092360 /nfs/dbraw/zinc/09/23/60/323092360.db2.gz UDITVOMDGMPZGL-PWSUYJOCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000563100447 323092415 /nfs/dbraw/zinc/09/24/15/323092415.db2.gz RVEKXLZPFMYDOY-GXSJLCMTSA-N 1 3 221.304 0.397 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000563108933 323092914 /nfs/dbraw/zinc/09/29/14/323092914.db2.gz QZBPYAQKJKSJEG-CABZTGNLSA-N 1 3 225.336 0.324 20 0 BCADHO COC(=O)C1CCC([NH2+][C@H]2CCNC2)CC1 ZINC000563431454 323125216 /nfs/dbraw/zinc/12/52/16/323125216.db2.gz GTOOFQMBDFBJGS-ILDUYXDCSA-N 1 3 226.320 0.670 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000563529174 323129215 /nfs/dbraw/zinc/12/92/15/323129215.db2.gz RLNIKHJEYNPKBG-YNEHKIRRSA-N 1 3 244.379 0.846 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000563529174 323129216 /nfs/dbraw/zinc/12/92/16/323129216.db2.gz RLNIKHJEYNPKBG-YNEHKIRRSA-N 1 3 244.379 0.846 20 0 BCADHO C[NH2+]CCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000563583134 323130451 /nfs/dbraw/zinc/13/04/51/323130451.db2.gz RHSQAHNWUIRROZ-CYBMUJFWSA-N 1 3 249.358 0.672 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000563583046 323130512 /nfs/dbraw/zinc/13/05/12/323130512.db2.gz HNUWBOFVZGUSJJ-UTUOFQBUSA-N 1 3 239.363 0.490 20 0 BCADHO C[N@H+](CCOC[C@H]1CCCO1)C1CCNCC1 ZINC000563622586 323132054 /nfs/dbraw/zinc/13/20/54/323132054.db2.gz JZGBFBWYLVWRQH-CYBMUJFWSA-N 1 3 242.363 0.866 20 0 BCADHO C[N@@H+](CCOC[C@H]1CCCO1)C1CCNCC1 ZINC000563622586 323132055 /nfs/dbraw/zinc/13/20/55/323132055.db2.gz JZGBFBWYLVWRQH-CYBMUJFWSA-N 1 3 242.363 0.866 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000563622982 323132189 /nfs/dbraw/zinc/13/21/89/323132189.db2.gz IHNOWMBEZRCVLN-INTQDDNPSA-N 1 3 225.336 0.310 20 0 BCADHO N[C@H]1C[C@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635887 323132808 /nfs/dbraw/zinc/13/28/08/323132808.db2.gz MCLLDIDUOPKOKU-RYUDHWBXSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@H]1C[C@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635887 323132809 /nfs/dbraw/zinc/13/28/09/323132809.db2.gz MCLLDIDUOPKOKU-RYUDHWBXSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000571082040 323135025 /nfs/dbraw/zinc/13/50/25/323135025.db2.gz LBQRRBMBGSVKRU-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c(c1)CNC2 ZINC000571282310 323140099 /nfs/dbraw/zinc/14/00/99/323140099.db2.gz IRAFZZWJMWSJIO-SNVBAGLBSA-N 1 3 247.342 0.875 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000571401020 323143564 /nfs/dbraw/zinc/14/35/64/323143564.db2.gz LYEAYKJHZHAFSZ-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000308916676 323181588 /nfs/dbraw/zinc/18/15/88/323181588.db2.gz BJZKZIASKQLPOK-VIFPVBQESA-N 1 3 201.314 0.228 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399250359 323201822 /nfs/dbraw/zinc/20/18/22/323201822.db2.gz XNFAGIOIFWAUOR-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399250359 323201821 /nfs/dbraw/zinc/20/18/21/323201821.db2.gz XNFAGIOIFWAUOR-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523590 323391859 /nfs/dbraw/zinc/39/18/59/323391859.db2.gz XFAXHGSYCJOJHR-OPRDCNLKSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000309507406 323419899 /nfs/dbraw/zinc/41/98/99/323419899.db2.gz WIDALPIVAJHSKM-VHSXEESVSA-N 1 3 213.325 0.454 20 0 BCADHO [NH3+]CCCCNC(=O)C12CCCN1CCC2 ZINC000564084261 323427769 /nfs/dbraw/zinc/42/77/69/323427769.db2.gz SZGBQTMJEJBXEH-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000165348124 487959607 /nfs/dbraw/zinc/95/96/07/487959607.db2.gz HRQKSDOHEWQJQU-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO COCCOC[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000572497114 324134075 /nfs/dbraw/zinc/13/40/75/324134075.db2.gz BZAZYVOBCBQIMJ-SRVKXCTJSA-N 1 3 230.352 0.897 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000572499730 324135206 /nfs/dbraw/zinc/13/52/06/324135206.db2.gz ZWXGVQSBJAABRH-AAEUAGOBSA-N 1 3 249.358 0.658 20 0 BCADHO CCN(CC)CC[C@@H](CO)[NH2+]C[C@H](C)O ZINC000567588643 324198416 /nfs/dbraw/zinc/19/84/16/324198416.db2.gz DLGPJPVCSLHKDO-QWRGUYRKSA-N 1 3 218.341 0.050 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023903 324223194 /nfs/dbraw/zinc/22/31/94/324223194.db2.gz MBDZZULCUKOODP-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023903 324223199 /nfs/dbraw/zinc/22/31/99/324223199.db2.gz MBDZZULCUKOODP-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000083907432 487964160 /nfs/dbraw/zinc/96/41/60/487964160.db2.gz YPNWBRRRTUADLS-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000158550910 487965852 /nfs/dbraw/zinc/96/58/52/487965852.db2.gz NHOBNWLZICSKHF-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO CN(C)CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000545284749 325207481 /nfs/dbraw/zinc/20/74/81/325207481.db2.gz ZNIZMAZZVMJDSZ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000545284749 325207484 /nfs/dbraw/zinc/20/74/84/325207484.db2.gz ZNIZMAZZVMJDSZ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C ZINC000565041291 325849604 /nfs/dbraw/zinc/84/96/04/325849604.db2.gz UUAYCROXSKJJNW-GARJFASQSA-N 1 3 229.368 0.815 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCCC[NH3+] ZINC000566190352 326009372 /nfs/dbraw/zinc/00/93/72/326009372.db2.gz TYRLZXOOZXCAMB-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO NC1(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000566236923 326021067 /nfs/dbraw/zinc/02/10/67/326021067.db2.gz DXMPKFODHQZIPV-JTQLQIEISA-N 1 3 219.288 0.294 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000566293720 326029681 /nfs/dbraw/zinc/02/96/81/326029681.db2.gz BSVXDQOORZSEKP-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO [NH3+]CCCN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000566302738 326031262 /nfs/dbraw/zinc/03/12/62/326031262.db2.gz QQEMBHKHXQPLBE-SNVBAGLBSA-N 1 3 208.309 0.938 20 0 BCADHO C[C@@H](CNCCC(N)=O)C[NH+]1CCCCC1 ZINC000566557389 326063688 /nfs/dbraw/zinc/06/36/88/326063688.db2.gz YPAXUXAOAAJLDN-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO C[C@@H](C[NH2+]CCC(N)=O)CN1CCCCC1 ZINC000566557389 326063690 /nfs/dbraw/zinc/06/36/90/326063690.db2.gz YPAXUXAOAAJLDN-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO CC[NH2+]CCCN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000567159323 326125664 /nfs/dbraw/zinc/12/56/64/326125664.db2.gz GBPQUCCNUZKTFK-CHWSQXEVSA-N 1 3 241.379 0.343 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000154395444 326142556 /nfs/dbraw/zinc/14/25/56/326142556.db2.gz MHTHWBFCLHVDAV-WDEREUQCSA-N 1 3 227.352 0.620 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCSC ZINC000567232854 326147444 /nfs/dbraw/zinc/14/74/44/326147444.db2.gz NFJCMXCIKRVOGI-NXEZZACHSA-N 1 3 247.408 0.701 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000309823352 326170116 /nfs/dbraw/zinc/17/01/16/326170116.db2.gz WVEWHSHMXFQGAX-UPJWGTAASA-N 1 3 225.380 0.868 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354091 326172684 /nfs/dbraw/zinc/17/26/84/326172684.db2.gz XAQWVDNWXXWZMI-WYUUTHIRSA-N 1 3 239.363 0.522 20 0 BCADHO CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)N(C)C ZINC000155005017 326178631 /nfs/dbraw/zinc/17/86/31/326178631.db2.gz SSHNFPNRUDEHON-JTQLQIEISA-N 1 3 229.368 0.783 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567469608 326198842 /nfs/dbraw/zinc/19/88/42/326198842.db2.gz PBMLGVJFVWNIMK-CMPLNLGQSA-N 1 3 227.352 0.701 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567469986 326199162 /nfs/dbraw/zinc/19/91/62/326199162.db2.gz FLQDJYCHFJCABG-MXWKQRLJSA-N 1 3 227.352 0.603 20 0 BCADHO Cn1cnc(CCN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000313248521 326260207 /nfs/dbraw/zinc/26/02/07/326260207.db2.gz BRKBAUUIBAZTFJ-MNOVXSKESA-N 1 3 222.336 0.822 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000567811711 326261459 /nfs/dbraw/zinc/26/14/59/326261459.db2.gz AZPLPOHBHYXZFP-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000567833976 326266379 /nfs/dbraw/zinc/26/63/79/326266379.db2.gz RJLFLKIRVAZUFM-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)N(C)C ZINC000158276418 326314722 /nfs/dbraw/zinc/31/47/22/326314722.db2.gz FVUQJBHQWRSMFF-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)N(C)C ZINC000158276418 326314723 /nfs/dbraw/zinc/31/47/23/326314723.db2.gz FVUQJBHQWRSMFF-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CSCC[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000568628250 326366365 /nfs/dbraw/zinc/36/63/65/326366365.db2.gz NIJFBOSRHMUAAZ-JTQLQIEISA-N 1 3 245.392 0.183 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000569099139 326389760 /nfs/dbraw/zinc/38/97/60/326389760.db2.gz RMIIKWLRRUIMAS-GARJFASQSA-N 1 3 223.320 0.030 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753677 326405258 /nfs/dbraw/zinc/40/52/58/326405258.db2.gz RWBLPQSBCDCLIJ-QWRGUYRKSA-N 1 3 223.324 0.528 20 0 BCADHO CC[NH2+]CCCNC(=O)C1(N)CCCCC1 ZINC000572943983 326419939 /nfs/dbraw/zinc/41/99/39/326419939.db2.gz MBYNAQVTWVHOFU-UHFFFAOYSA-N 1 3 227.352 0.764 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000572999243 326423851 /nfs/dbraw/zinc/42/38/51/326423851.db2.gz MYIJYZOUDBVVKL-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO NC1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCC1 ZINC000573089975 326428960 /nfs/dbraw/zinc/42/89/60/326428960.db2.gz WRTMMGNXELLWGW-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCNCC1(C)C ZINC000309476202 487973378 /nfs/dbraw/zinc/97/33/78/487973378.db2.gz RYDMMXMHDIEZHZ-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000158854566 487978668 /nfs/dbraw/zinc/97/86/68/487978668.db2.gz IMLPWSGYQLPZTO-BDAKNGLRSA-N 1 3 201.314 0.167 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446409070 487981172 /nfs/dbraw/zinc/98/11/72/487981172.db2.gz QZUDPOONIFWNIC-VWYCJHECSA-N 1 3 227.352 0.746 20 0 BCADHO C[C@H]1CCNCC[C@H]1[NH2+]CC(C)(C)CO ZINC000643475014 488015734 /nfs/dbraw/zinc/01/57/34/488015734.db2.gz OGUSNISNYOGNDR-WDEREUQCSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCC(C)(C)CO ZINC000643475014 488015739 /nfs/dbraw/zinc/01/57/39/488015739.db2.gz OGUSNISNYOGNDR-WDEREUQCSA-N 1 3 214.353 0.983 20 0 BCADHO CC[C@H]1CN(CC(C)(C)O)CC[C@@H]1[NH3+] ZINC000147429283 488019590 /nfs/dbraw/zinc/01/95/90/488019590.db2.gz LFIGQKAEVHRCRO-UWVGGRQHSA-N 1 3 200.326 0.817 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000655449134 488037934 /nfs/dbraw/zinc/03/79/34/488037934.db2.gz LNRRDNVXKVAKGU-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000655449132 488038035 /nfs/dbraw/zinc/03/80/35/488038035.db2.gz LNRRDNVXKVAKGU-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO CN(Cc1nc2c(s1)CNCC2)C1C[NH2+]C1 ZINC000663494757 488045226 /nfs/dbraw/zinc/04/52/26/488045226.db2.gz RLLOGRNDBPLIOK-UHFFFAOYSA-N 1 3 238.360 0.192 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NCc1nc2c(s1)CNCC2 ZINC000663500024 488049219 /nfs/dbraw/zinc/04/92/19/488049219.db2.gz YDHRHLUIYXKKBA-SFYZADRCSA-N 1 3 240.376 0.614 20 0 BCADHO CN(C)CCOCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396913898 488065063 /nfs/dbraw/zinc/06/50/63/488065063.db2.gz FISOSVVDGOTGDI-NSHDSACASA-N 1 3 230.352 0.722 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000247452212 488065588 /nfs/dbraw/zinc/06/55/88/488065588.db2.gz ZVVILCXIDXLPSM-GUBZILKMSA-N 1 3 213.325 0.167 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000389148926 488078515 /nfs/dbraw/zinc/07/85/15/488078515.db2.gz IXNFCBDTORKHLA-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236649454 488079487 /nfs/dbraw/zinc/07/94/87/488079487.db2.gz CJBNMXFCDQRIMV-TUAOUCFPSA-N 1 3 241.379 0.946 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000389162726 488079872 /nfs/dbraw/zinc/07/98/72/488079872.db2.gz LXJNFFNWTYJUHP-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000389400393 488094566 /nfs/dbraw/zinc/09/45/66/488094566.db2.gz PLLCKDGOBGVMLV-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C)CCn1cc(NC(=O)CCC[NH3+])cn1 ZINC000236988957 488099882 /nfs/dbraw/zinc/09/98/82/488099882.db2.gz CXEHJSYBFZFTNK-UHFFFAOYSA-N 1 3 239.323 0.122 20 0 BCADHO C([C@H]1CC[NH2+]C1)N1CCN(C2CCC2)CC1 ZINC000378699302 488102274 /nfs/dbraw/zinc/10/22/74/488102274.db2.gz IFYRHWJFHHLWNR-LBPRGKRZSA-N 1 3 223.364 0.766 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000389649396 488104661 /nfs/dbraw/zinc/10/46/61/488104661.db2.gz NOWMJNYJBNNQBP-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000389730811 488109757 /nfs/dbraw/zinc/10/97/57/488109757.db2.gz JQUFVOXHZGERBL-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000389730811 488109761 /nfs/dbraw/zinc/10/97/61/488109761.db2.gz JQUFVOXHZGERBL-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509433 488110199 /nfs/dbraw/zinc/11/01/99/488110199.db2.gz DWGJDRMYDMHGOS-JQWIXIFHSA-N 1 3 227.352 0.762 20 0 BCADHO CC(C)([NH3+])CC(=O)NC[C@H](N)c1ccccc1 ZINC000669510642 488113462 /nfs/dbraw/zinc/11/34/62/488113462.db2.gz DBYQDLFOKAATLH-NSHDSACASA-N 1 3 235.331 0.930 20 0 BCADHO CC1(C)CNCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000669512435 488118574 /nfs/dbraw/zinc/11/85/74/488118574.db2.gz VDZSXBAVTKZPSA-UHFFFAOYSA-N 1 3 247.342 0.969 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC1([NH3+])CCC1 ZINC000669513558 488121631 /nfs/dbraw/zinc/12/16/31/488121631.db2.gz JDIHFHLQHXPHIZ-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO CN1CCC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000258579491 488122987 /nfs/dbraw/zinc/12/29/87/488122987.db2.gz PUQBFPLSUUPFIO-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CCN1 ZINC000669514881 488123889 /nfs/dbraw/zinc/12/38/89/488123889.db2.gz OQURFPHYEZVMQM-IJLUTSLNSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@H](C)[NH3+])CCN1 ZINC000669514696 488124228 /nfs/dbraw/zinc/12/42/28/488124228.db2.gz ADNCHCLYEQZWFQ-GARJFASQSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514683 488124566 /nfs/dbraw/zinc/12/45/66/488124566.db2.gz ZJERVRMOEIFZEU-MNOVXSKESA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CCN1 ZINC000669514694 488125178 /nfs/dbraw/zinc/12/51/78/488125178.db2.gz ABZBHQDYHMLCAU-DGCLKSJQSA-N 1 3 239.363 0.442 20 0 BCADHO CN1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000258652608 488126320 /nfs/dbraw/zinc/12/63/20/488126320.db2.gz SHPXGBQOGZDBHI-QWRGUYRKSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000669517031 488127387 /nfs/dbraw/zinc/12/73/87/488127387.db2.gz SHWFKCPBHYDZIM-JBLDHEPKSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000669517032 488127430 /nfs/dbraw/zinc/12/74/30/488127430.db2.gz SHWFKCPBHYDZIM-NHCYSSNCSA-N 1 3 235.331 0.786 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309744102 487541052 /nfs/dbraw/zinc/54/10/52/487541052.db2.gz FBGLRFFCJWDAEQ-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882405 487542208 /nfs/dbraw/zinc/54/22/08/487542208.db2.gz XFFAZMUCYDEWBM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882405 487542213 /nfs/dbraw/zinc/54/22/13/487542213.db2.gz XFFAZMUCYDEWBM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO c1cn(C[C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662297039 487544109 /nfs/dbraw/zinc/54/41/09/487544109.db2.gz YIAJXGQXLJIFQT-NEPJUHHUSA-N 1 3 235.335 0.210 20 0 BCADHO CN1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088300 487548356 /nfs/dbraw/zinc/54/83/56/487548356.db2.gz NPWCKTFXRJJRBN-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](O)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000227713487 487483174 /nfs/dbraw/zinc/48/31/74/487483174.db2.gz CGFQYXCOARNPQD-NEPJUHHUSA-N 1 3 230.352 0.194 20 0 BCADHO C[C@@H](CN(C)C[C@@H](O)C[NH3+])C(C)(C)C ZINC000399484596 487486422 /nfs/dbraw/zinc/48/64/22/487486422.db2.gz DADCJTVNAQCXIC-UWVGGRQHSA-N 1 3 202.342 0.920 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCC(C)CC1 ZINC000040772651 487494009 /nfs/dbraw/zinc/49/40/09/487494009.db2.gz PBNHBSHEPUHSAA-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N(C)C ZINC000086271385 487495060 /nfs/dbraw/zinc/49/50/60/487495060.db2.gz YGPYVFZHTPLTRH-UTLUCORTSA-N 1 3 213.325 0.051 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000086271383 487495464 /nfs/dbraw/zinc/49/54/64/487495464.db2.gz YGPYVFZHTPLTRH-KXUCPTDWSA-N 1 3 213.325 0.051 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657973108 487496863 /nfs/dbraw/zinc/49/68/63/487496863.db2.gz BNVHLXJJEHUXAE-RYUDHWBXSA-N 1 3 240.347 0.354 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657973108 487496868 /nfs/dbraw/zinc/49/68/68/487496868.db2.gz BNVHLXJJEHUXAE-RYUDHWBXSA-N 1 3 240.347 0.354 20 0 BCADHO CCO[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000086435539 487506963 /nfs/dbraw/zinc/50/69/63/487506963.db2.gz JHPBZIDWLPDMCS-NSHDSACASA-N 1 3 216.325 0.463 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C(C)(C)[NH3+])CCN1 ZINC000381239901 487501820 /nfs/dbraw/zinc/50/18/20/487501820.db2.gz ADOWFKYVCQRYNT-SECBINFHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161651537 487507801 /nfs/dbraw/zinc/50/78/01/487507801.db2.gz KCOBAGYGJZXEGU-WDEREUQCSA-N 1 3 227.352 0.713 20 0 BCADHO CCN1CC[C@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662273669 487521824 /nfs/dbraw/zinc/52/18/24/487521824.db2.gz XRBRCSCJBAGQJD-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO N[C@H](CC(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000237853431 487522079 /nfs/dbraw/zinc/52/20/79/487522079.db2.gz TWLYPXJBERWFEU-CYBMUJFWSA-N 1 3 247.342 0.945 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000162049788 487534496 /nfs/dbraw/zinc/53/44/96/487534496.db2.gz ZMIHDILHYZNGMA-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CCN(C)CC1 ZINC000085356678 488162896 /nfs/dbraw/zinc/16/28/96/488162896.db2.gz ZYVQSRBYSKNSCZ-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]1NCCN(C(=O)CC(C)(C)[NH3+])[C@@H]1C ZINC000390526930 488164865 /nfs/dbraw/zinc/16/48/65/488164865.db2.gz HBWBYLQRMGPDCH-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO N[C@@H]1CN(C(=O)CC2([NH3+])CCC2)CC[C@H]1F ZINC000659388675 487586063 /nfs/dbraw/zinc/58/60/63/487586063.db2.gz DRCJFMGBILLRMS-RKDXNWHRSA-N 1 3 229.299 0.156 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000236691881 488081582 /nfs/dbraw/zinc/08/15/82/488081582.db2.gz VBHISGLZOXTYOC-SNVBAGLBSA-N 1 3 213.325 0.310 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCSC[C@H](C)C1 ZINC000379446568 488137308 /nfs/dbraw/zinc/13/73/08/488137308.db2.gz XSPOOWFQSPHWEG-NEPJUHHUSA-N 1 3 246.420 0.984 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCSC[C@H](C)C1 ZINC000379446568 488137311 /nfs/dbraw/zinc/13/73/11/488137311.db2.gz XSPOOWFQSPHWEG-NEPJUHHUSA-N 1 3 246.420 0.984 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000669520265 488139722 /nfs/dbraw/zinc/13/97/22/488139722.db2.gz SCBWNVKPLYNNNN-HTQZYQBOSA-N 1 3 237.294 0.459 20 0 BCADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CNCCO1 ZINC000258991488 488145386 /nfs/dbraw/zinc/14/53/86/488145386.db2.gz VPAOGBOAOZFPGN-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CNCCO1 ZINC000258991488 488145388 /nfs/dbraw/zinc/14/53/88/488145388.db2.gz VPAOGBOAOZFPGN-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1ccnn1C ZINC000230775540 488156745 /nfs/dbraw/zinc/15/67/45/488156745.db2.gz BOXPYVJGXXTONR-WDEREUQCSA-N 1 3 222.336 0.632 20 0 BCADHO Cn1nccc1CCN1CC[C@H](C[NH3+])C1 ZINC000230774514 488156762 /nfs/dbraw/zinc/15/67/62/488156762.db2.gz XMIARCTWOMDDOW-SNVBAGLBSA-N 1 3 208.309 0.243 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2ccnn2C)C1 ZINC000230775571 488156908 /nfs/dbraw/zinc/15/69/08/488156908.db2.gz FZHIHBBOYKWGGQ-WDEREUQCSA-N 1 3 222.336 0.632 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CCCOCCO)C1 ZINC000230782877 488158174 /nfs/dbraw/zinc/15/81/74/488158174.db2.gz BLQDZJXHTVUIQV-MNOVXSKESA-N 1 3 216.325 0.245 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085373111 488164777 /nfs/dbraw/zinc/16/47/77/488164777.db2.gz CDJWIPIFSPDBAK-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659609731 488188427 /nfs/dbraw/zinc/18/84/27/488188427.db2.gz LDGYRRLVVPXSAV-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO CO[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000299903446 488193981 /nfs/dbraw/zinc/19/39/81/488193981.db2.gz DTNMGZYMBZRQCI-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO CN(CCNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000398054938 488199535 /nfs/dbraw/zinc/19/95/35/488199535.db2.gz DEQDVERNGSGVHU-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398063042 488206263 /nfs/dbraw/zinc/20/62/63/488206263.db2.gz CJYLTOLQWUMKBB-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398074740 488206996 /nfs/dbraw/zinc/20/69/96/488206996.db2.gz BCVHHUDZEBHCAG-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO Cc1n[nH]cc1[C@@H](C)NCCOCC[NH+](C)C ZINC000683691611 488207932 /nfs/dbraw/zinc/20/79/32/488207932.db2.gz FSKMZWAPCSUGLD-SNVBAGLBSA-N 1 3 240.351 0.947 20 0 BCADHO C[NH+](C)CC1CCN(C[C@@H]2CNCCO2)CC1 ZINC000043802885 488210156 /nfs/dbraw/zinc/21/01/56/488210156.db2.gz PCKQDYVFEHTAOO-ZDUSSCGKSA-N 1 3 241.379 0.248 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000085975901 488221676 /nfs/dbraw/zinc/22/16/76/488221676.db2.gz PMPXRURBOLOECU-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975844 488221953 /nfs/dbraw/zinc/22/19/53/488221953.db2.gz FCVLIPUEYHCYAS-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975844 488221956 /nfs/dbraw/zinc/22/19/56/488221956.db2.gz FCVLIPUEYHCYAS-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232634 490393608 /nfs/dbraw/zinc/39/36/08/490393608.db2.gz GLRSQOVRLCPKJW-IVZWLZJFSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000126354372 490491731 /nfs/dbraw/zinc/49/17/31/490491731.db2.gz HFSXAIFPNUDEKD-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000222672431 490652797 /nfs/dbraw/zinc/65/27/97/490652797.db2.gz SBKLSHBXDRZFQL-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO COC(C)(C)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000230413855 491130017 /nfs/dbraw/zinc/13/00/17/491130017.db2.gz GWRLKMFSOJKJHF-PHIMTYICSA-N 1 3 212.337 0.953 20 0 BCADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[NH3+] ZINC000261544539 491088931 /nfs/dbraw/zinc/08/89/31/491088931.db2.gz IZMCIKSAGALAGM-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO [NH3+]CCCNC(=O)c1cccc2c1CNC2 ZINC000662394256 491099005 /nfs/dbraw/zinc/09/90/05/491099005.db2.gz RKGJUTNUHJAQOV-UHFFFAOYSA-N 1 3 219.288 0.368 20 0 BCADHO C[C@H](CO)C[NH+]1CCC(N(C)C)CC1 ZINC000120620098 491099449 /nfs/dbraw/zinc/09/94/49/491099449.db2.gz KGFOALVOEXZEGV-JTQLQIEISA-N 1 3 200.326 0.641 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)Cc1ccccc1 ZINC000662605019 491107100 /nfs/dbraw/zinc/10/71/00/491107100.db2.gz JPLGNTGMFADKGF-LBPRGKRZSA-N 1 3 249.358 0.752 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CCOCCN(C)C)CO1 ZINC000401847774 491129121 /nfs/dbraw/zinc/12/91/21/491129121.db2.gz VDZCQVVTUKCUGU-QWRGUYRKSA-N 1 3 216.325 0.332 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CCOCCN(C)C)CO1 ZINC000401847775 491129128 /nfs/dbraw/zinc/12/91/28/491129128.db2.gz VDZCQVVTUKCUGU-WDEREUQCSA-N 1 3 216.325 0.332 20 0 BCADHO C[C@@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209444 491134773 /nfs/dbraw/zinc/13/47/73/491134773.db2.gz MYAGVJIDDSEIBY-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@H+]1C ZINC000132209444 491134774 /nfs/dbraw/zinc/13/47/74/491134774.db2.gz MYAGVJIDDSEIBY-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+]CCNC(=O)N1CCNCCC12CCC2 ZINC000891994267 582756167 /nfs/dbraw/zinc/75/61/67/582756167.db2.gz QWXNKHOAWFWKFG-UHFFFAOYSA-N 1 3 240.351 0.133 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000347654724 534901092 /nfs/dbraw/zinc/90/10/92/534901092.db2.gz MHGYICLONDAWNK-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000262515492 534903631 /nfs/dbraw/zinc/90/36/31/534903631.db2.gz RMFHSQFVUOTJPI-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494900324 527817792 /nfs/dbraw/zinc/81/77/92/527817792.db2.gz JBDXAQLFIDTMLL-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO COCCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000217806601 536516435 /nfs/dbraw/zinc/51/64/35/536516435.db2.gz DPXLNJSONYAWPQ-RWMBFGLXSA-N 1 3 244.379 0.968 20 0 BCADHO COCCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000217806601 536516439 /nfs/dbraw/zinc/51/64/39/536516439.db2.gz DPXLNJSONYAWPQ-RWMBFGLXSA-N 1 3 244.379 0.968 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000494709767 528497948 /nfs/dbraw/zinc/49/79/48/528497948.db2.gz OOJADTDXJXTTOW-WHOHXGKFSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000494671855 528497984 /nfs/dbraw/zinc/49/79/84/528497984.db2.gz JONJNPLTGVWDFN-IJLUTSLNSA-N 1 3 241.379 0.851 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000494699594 528499752 /nfs/dbraw/zinc/49/97/52/528499752.db2.gz QJVWSSFZILVPQR-MVWJERBFSA-N 1 3 239.363 0.569 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495169895 528552807 /nfs/dbraw/zinc/55/28/07/528552807.db2.gz VDQUTBGITCOURL-QWRGUYRKSA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262842035 534999397 /nfs/dbraw/zinc/99/93/97/534999397.db2.gz JAWKHVDMRDSCLH-MNOVXSKESA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342714049 535050285 /nfs/dbraw/zinc/05/02/85/535050285.db2.gz OOJADTDXJXTTOW-BJDJZHNGSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262459733 535057334 /nfs/dbraw/zinc/05/73/34/535057334.db2.gz VMYPYLRDGVJMSS-RYUDHWBXSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000168720179 535135489 /nfs/dbraw/zinc/13/54/89/535135489.db2.gz WUWCFGRNKAKNTE-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000168720179 535135490 /nfs/dbraw/zinc/13/54/90/535135490.db2.gz WUWCFGRNKAKNTE-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)C ZINC000262590176 535136133 /nfs/dbraw/zinc/13/61/33/535136133.db2.gz QUAMEKJSVMJLFZ-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262674829 535195293 /nfs/dbraw/zinc/19/52/93/535195293.db2.gz RDVMESVNNBLHAG-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)([NH3+])CNC(=O)C12CCCN1CCC2 ZINC000335145933 535201058 /nfs/dbraw/zinc/20/10/58/535201058.db2.gz KRIIPBSNAOWRGL-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CC[NH+]1CCC(CCNC(=O)C(C)(C)N)CC1 ZINC000168711106 535445496 /nfs/dbraw/zinc/44/54/96/535445496.db2.gz MPECQGFLGGHWNY-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351826834 535491737 /nfs/dbraw/zinc/49/17/37/535491737.db2.gz JTZMQSOXTLGJMM-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262824257 535493621 /nfs/dbraw/zinc/49/36/21/535493621.db2.gz PVESDRCXECQJCX-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CCN1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335305551 535515182 /nfs/dbraw/zinc/51/51/82/535515182.db2.gz QMOXPOXRGSEDRX-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403283 535679396 /nfs/dbraw/zinc/67/93/96/535679396.db2.gz BFDMCUGFKJVUTR-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403283 535679401 /nfs/dbraw/zinc/67/94/01/535679401.db2.gz BFDMCUGFKJVUTR-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[N@H+](C)CCNC(=O)N[C@@H](C)CN(C)C ZINC000352165562 535751306 /nfs/dbraw/zinc/75/13/06/535751306.db2.gz HALRQNZNAIJMLA-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CC[N@@H+](C)CCNC(=O)N[C@@H](C)CN(C)C ZINC000352165562 535751310 /nfs/dbraw/zinc/75/13/10/535751310.db2.gz HALRQNZNAIJMLA-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000261534198 535847813 /nfs/dbraw/zinc/84/78/13/535847813.db2.gz OQQQKSNVYKXHSN-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO CN(C(=O)C[C@@H]1CSCCN1)C1CC([NH3+])C1 ZINC000336212445 536003690 /nfs/dbraw/zinc/00/36/90/536003690.db2.gz XIBHDYATEBRAPW-HWOCKDDLSA-N 1 3 243.376 0.030 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000261546024 536138906 /nfs/dbraw/zinc/13/89/06/536138906.db2.gz KOROXIAVZOAAGT-KXUCPTDWSA-N 1 3 213.325 0.452 20 0 BCADHO CC[C@H](N)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000190743344 536139332 /nfs/dbraw/zinc/13/93/32/536139332.db2.gz SRRXUKCOCCIZDL-KOLCDFICSA-N 1 3 225.336 0.467 20 0 BCADHO COC(=O)C[C@@H]1CCC[N@@H+]1CC(C)(C)N ZINC000261562529 536316864 /nfs/dbraw/zinc/31/68/64/536316864.db2.gz BIYLBOHSAJPACF-VIFPVBQESA-N 1 3 214.309 0.751 20 0 BCADHO COC(=O)C[C@@H]1CCC[N@H+]1CC(C)(C)N ZINC000261562529 536316866 /nfs/dbraw/zinc/31/68/66/536316866.db2.gz BIYLBOHSAJPACF-VIFPVBQESA-N 1 3 214.309 0.751 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000352020087 536354535 /nfs/dbraw/zinc/35/45/35/536354535.db2.gz GZLCGEHZIFITKI-FRRDWIJNSA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000352020087 536354538 /nfs/dbraw/zinc/35/45/38/536354538.db2.gz GZLCGEHZIFITKI-FRRDWIJNSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000167521504 536376621 /nfs/dbraw/zinc/37/66/21/536376621.db2.gz UBZGJGYVHUHOCN-MNOVXSKESA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000167521504 536376623 /nfs/dbraw/zinc/37/66/23/536376623.db2.gz UBZGJGYVHUHOCN-MNOVXSKESA-N 1 3 237.347 0.420 20 0 BCADHO CN1CC[C@@H](N2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000335396425 536451231 /nfs/dbraw/zinc/45/12/31/536451231.db2.gz PTOARCFLOAASKD-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CN1CC[C@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000227071891 536478486 /nfs/dbraw/zinc/47/84/86/536478486.db2.gz SBCSBPHSZMJWIF-QWRGUYRKSA-N 1 3 225.336 0.278 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092955079 566301834 /nfs/dbraw/zinc/30/18/34/566301834.db2.gz TUSVDVPRONYMLT-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@]12C[C@H]1C[NH2+]C2 ZINC000853246573 588728561 /nfs/dbraw/zinc/72/85/61/588728561.db2.gz MXHXAWVUYUFWNJ-ATZCPNFKSA-N 1 3 231.290 0.135 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246576 588728591 /nfs/dbraw/zinc/72/85/91/588728591.db2.gz MXHXAWVUYUFWNJ-YWVKMMECSA-N 1 3 231.290 0.135 20 0 BCADHO COC(=O)N(C)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000854226548 588780486 /nfs/dbraw/zinc/78/04/86/588780486.db2.gz HICBHKHNJPTOAI-BDAKNGLRSA-N 1 3 217.313 0.400 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000891403217 582678481 /nfs/dbraw/zinc/67/84/81/582678481.db2.gz KEHSIRDJHFPOOX-GMTAPVOTSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCN(C)C1CC1 ZINC000891545050 582695889 /nfs/dbraw/zinc/69/58/89/582695889.db2.gz HQHNVAOXJCKVPF-NXEZZACHSA-N 1 3 240.351 0.212 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000132798536 582896720 /nfs/dbraw/zinc/89/67/20/582896720.db2.gz WBESDVOXNTWAJQ-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]CCN(C)C(=O)C[C@@H]1NCc2ccccc21 ZINC000852826552 583018391 /nfs/dbraw/zinc/01/83/91/583018391.db2.gz MWYVFDXTYDAVNN-ZDUSSCGKSA-N 1 3 247.342 0.899 20 0 BCADHO C[NH+](C)C1(CNc2ccncc2CO)CCC1 ZINC000893378744 583132958 /nfs/dbraw/zinc/13/29/58/583132958.db2.gz DOZQXLIATOXBGG-UHFFFAOYSA-N 1 3 235.331 0.892 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000857107074 588888204 /nfs/dbraw/zinc/88/82/04/588888204.db2.gz KBGVJVUDQSPCRB-LPEHRKFASA-N 1 3 228.340 0.116 20 0 BCADHO CN1C[C@@H]2C[N@@H+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC000894082232 583294681 /nfs/dbraw/zinc/29/46/81/583294681.db2.gz BJTXZLAQWJNEHQ-TUAOUCFPSA-N 1 3 240.347 0.631 20 0 BCADHO CN1C[C@@H]2C[N@H+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC000894082232 583294682 /nfs/dbraw/zinc/29/46/82/583294682.db2.gz BJTXZLAQWJNEHQ-TUAOUCFPSA-N 1 3 240.347 0.631 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H](C)CN1 ZINC000841849381 583367059 /nfs/dbraw/zinc/36/70/59/583367059.db2.gz PWYQUEFCEBSHDQ-FXPVBKGRSA-N 1 3 225.336 0.323 20 0 BCADHO CC[NH+](CC)CCOCCNCc1c[nH]cn1 ZINC000894456515 583464097 /nfs/dbraw/zinc/46/40/97/583464097.db2.gz RXNULCFMZOOXLQ-UHFFFAOYSA-N 1 3 240.351 0.858 20 0 BCADHO CC[NH+](CC)CCOCCNCc1cnc[nH]1 ZINC000894456515 583464100 /nfs/dbraw/zinc/46/41/00/583464100.db2.gz RXNULCFMZOOXLQ-UHFFFAOYSA-N 1 3 240.351 0.858 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1NCCCC1(C)C ZINC000417799856 583612684 /nfs/dbraw/zinc/61/26/84/583612684.db2.gz RXIUWCZCXBQLAG-WDEREUQCSA-N 1 3 241.379 0.736 20 0 BCADHO C[C@@H](CC[NH2+]C1CCN(C=O)CC1)N(C)C ZINC000895427710 583668458 /nfs/dbraw/zinc/66/84/58/583668458.db2.gz DSGLTMQQCAOMHN-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO C[N@@H+]1CC[C@@H](N[C@@H]2CC[C@H]2O)CC1(C)C ZINC000858183041 588937713 /nfs/dbraw/zinc/93/77/13/588937713.db2.gz RANWUSCPMQQYLQ-GMTAPVOTSA-N 1 3 212.337 0.972 20 0 BCADHO C[N@H+]1CC[C@@H](N[C@@H]2CC[C@H]2O)CC1(C)C ZINC000858183041 588937714 /nfs/dbraw/zinc/93/77/14/588937714.db2.gz RANWUSCPMQQYLQ-GMTAPVOTSA-N 1 3 212.337 0.972 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000872141058 583948018 /nfs/dbraw/zinc/94/80/18/583948018.db2.gz JLUAMZFODFUSIP-WUHRBBMRSA-N 1 3 240.347 0.353 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872141058 583948019 /nfs/dbraw/zinc/94/80/19/583948019.db2.gz JLUAMZFODFUSIP-WUHRBBMRSA-N 1 3 240.347 0.353 20 0 BCADHO CN1CCC[C@H]1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000897423685 583964525 /nfs/dbraw/zinc/96/45/25/583964525.db2.gz RKKPYAAXZUWIKM-LBPRGKRZSA-N 1 3 239.363 0.633 20 0 BCADHO C1O[C@@H]2[C@H]([NH2+]C3CCNCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873215418 584127235 /nfs/dbraw/zinc/12/72/35/584127235.db2.gz AFBCPSKRPFDNBV-MNSQCTGESA-N 1 3 222.332 0.751 20 0 BCADHO C1O[C@@H]2[C@H](NC3CC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873215418 584127238 /nfs/dbraw/zinc/12/72/38/584127238.db2.gz AFBCPSKRPFDNBV-MNSQCTGESA-N 1 3 222.332 0.751 20 0 BCADHO C[C@H]1C[C@H](CN2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232243 584127828 /nfs/dbraw/zinc/12/78/28/584127828.db2.gz NPOMWAWMNPHZDG-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](N)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742467 584234795 /nfs/dbraw/zinc/23/47/95/584234795.db2.gz XXJJYLBJHXLDMX-NXEZZACHSA-N 1 3 223.324 0.688 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899919607 584252579 /nfs/dbraw/zinc/25/25/79/584252579.db2.gz CGDFWKGFEPVINY-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899919607 584252580 /nfs/dbraw/zinc/25/25/80/584252580.db2.gz CGDFWKGFEPVINY-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH+]1CCC2(CCN2CC(C)(C)O)CC1 ZINC000899910791 584252740 /nfs/dbraw/zinc/25/27/40/584252740.db2.gz MZXYMIDERXWSIL-UHFFFAOYSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC2(CC[N@@H+]2CC(C)(C)O)CC1 ZINC000899910791 584252741 /nfs/dbraw/zinc/25/27/41/584252741.db2.gz MZXYMIDERXWSIL-UHFFFAOYSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC2(CC[N@H+]2CC(C)(C)O)CC1 ZINC000899910791 584252742 /nfs/dbraw/zinc/25/27/42/584252742.db2.gz MZXYMIDERXWSIL-UHFFFAOYSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900001151 584263335 /nfs/dbraw/zinc/26/33/35/584263335.db2.gz AAYHJYXCKROFCE-UHFFFAOYSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC000900162569 584281330 /nfs/dbraw/zinc/28/13/30/584281330.db2.gz GVQTYGKWRBKWIO-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO COC[C@@H](CCO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358314 584570355 /nfs/dbraw/zinc/57/03/55/584570355.db2.gz AHSCDBISGURVDX-NWDGAFQWSA-N 1 3 244.379 0.752 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000902392810 584583764 /nfs/dbraw/zinc/58/37/64/584583764.db2.gz NFVWQKDXLDLNNF-GARJFASQSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000902392810 584583765 /nfs/dbraw/zinc/58/37/65/584583765.db2.gz NFVWQKDXLDLNNF-GARJFASQSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCON ZINC000902416603 584590684 /nfs/dbraw/zinc/59/06/84/584590684.db2.gz UPUSDZWERDTNKD-YPMHNXCESA-N 1 3 237.347 0.815 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1C[NH2+]CC1(C)C ZINC000902444828 584599111 /nfs/dbraw/zinc/59/91/11/584599111.db2.gz OTRYQAIEPKNACI-GRYCIOLGSA-N 1 3 241.379 0.341 20 0 BCADHO CC1(C)C[C@@H](N)C[C@@H]([NH2+]CCCON)C1 ZINC000902414887 584600314 /nfs/dbraw/zinc/60/03/14/584600314.db2.gz FSMXEEFIUVKDAS-VHSXEESVSA-N 1 3 215.341 0.762 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449936 584606339 /nfs/dbraw/zinc/60/63/39/584606339.db2.gz AMQCIIXRNTWFRX-BUNZCYNESA-N 1 3 210.321 0.878 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451321 584606776 /nfs/dbraw/zinc/60/67/76/584606776.db2.gz WKKZGSJDROUPKC-MXWKQRLJSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)[C@H]1CCOC1 ZINC000902451805 584607625 /nfs/dbraw/zinc/60/76/25/584607625.db2.gz YCJBGNRQUXEOAU-DCAQKATOSA-N 1 3 212.337 0.999 20 0 BCADHO Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000902458013 584610295 /nfs/dbraw/zinc/61/02/95/584610295.db2.gz WRHIPGLKOZSIQC-VHSXEESVSA-N 1 3 238.339 0.002 20 0 BCADHO Cn1nnnc1CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000902458013 584610296 /nfs/dbraw/zinc/61/02/96/584610296.db2.gz WRHIPGLKOZSIQC-VHSXEESVSA-N 1 3 238.339 0.002 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466235 584614177 /nfs/dbraw/zinc/61/41/77/584614177.db2.gz KRVAHMLNPMXFBN-CKIKVBCHSA-N 1 3 239.363 0.236 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCC[C@@H](O)C1CC1 ZINC000902506618 584621897 /nfs/dbraw/zinc/62/18/97/584621897.db2.gz YSJXQLLDNDSLOY-IQJOONFLSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@@H](O)C1CC1 ZINC000902506618 584621899 /nfs/dbraw/zinc/62/18/99/584621899.db2.gz YSJXQLLDNDSLOY-IQJOONFLSA-N 1 3 200.326 0.863 20 0 BCADHO CCS(=O)(=O)C[C@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487027 584626023 /nfs/dbraw/zinc/62/60/23/584626023.db2.gz ISHMPIHHAABPJP-GUBZILKMSA-N 1 3 234.365 0.137 20 0 BCADHO COC[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000902514804 584629604 /nfs/dbraw/zinc/62/96/04/584629604.db2.gz QFZUZICXBBJBDO-DCAQKATOSA-N 1 3 216.325 0.101 20 0 BCADHO CN(C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCCCNC1=O ZINC000903433233 584762200 /nfs/dbraw/zinc/76/22/00/584762200.db2.gz WKWDBTOKCDTEOX-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@@H]1CN(C[C@H]2CCC[NH2+]2)CC[C@H]1F ZINC000903464496 584766902 /nfs/dbraw/zinc/76/69/02/584766902.db2.gz PRTPTDVFAMZLFB-OPRDCNLKSA-N 1 3 201.289 0.110 20 0 BCADHO CON1CC[C@@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000903450324 584772222 /nfs/dbraw/zinc/77/22/22/584772222.db2.gz UDKYMXYGYXTGSF-WDEREUQCSA-N 1 3 241.335 0.210 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)N(C)C[C@H]1C ZINC000903455552 584774035 /nfs/dbraw/zinc/77/40/35/584774035.db2.gz ZTLUOGGIQYTYTJ-LPWJVIDDSA-N 1 3 225.380 0.866 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](C)N(C)C[C@H]1C ZINC000903455555 584774275 /nfs/dbraw/zinc/77/42/75/584774275.db2.gz ZTLUOGGIQYTYTJ-XQHKEYJVSA-N 1 3 225.380 0.866 20 0 BCADHO C([NH2+][C@H]1CCNC12CCC2)[C@@H]1CCOC1 ZINC000903470466 584774874 /nfs/dbraw/zinc/77/48/74/584774874.db2.gz LXJAGZSSPSFRTB-QWRGUYRKSA-N 1 3 210.321 0.897 20 0 BCADHO C(N[C@@H]1CC[NH2+]C12CCCC2)[C@H]1CNCCO1 ZINC000903482251 584778495 /nfs/dbraw/zinc/77/84/95/584778495.db2.gz ZUNOBNDZCPJHCA-VXGBXAGGSA-N 1 3 239.363 0.239 20 0 BCADHO C[C@]1(C2CCN(CCC[NH3+])CC2)COC(=O)N1 ZINC000903563757 584782324 /nfs/dbraw/zinc/78/23/24/584782324.db2.gz LCUHOQSZAJCHEE-GFCCVEGCSA-N 1 3 241.335 0.546 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCO[C@@H]2COCC[C@@H]21 ZINC000903708317 584791345 /nfs/dbraw/zinc/79/13/45/584791345.db2.gz QNCIOKGUAQQJJS-QWHCGFSZSA-N 1 3 240.347 0.476 20 0 BCADHO C[C@](C[NH3+])(NC[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC1 ZINC000903716998 584792195 /nfs/dbraw/zinc/79/21/95/584792195.db2.gz GFDQACXZGWYVAS-XYJRDEOASA-N 1 3 240.347 0.507 20 0 BCADHO C[C@H](O)CCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732290 584793055 /nfs/dbraw/zinc/79/30/55/584793055.db2.gz FARSQWKPVZIEAJ-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903749639 584794850 /nfs/dbraw/zinc/79/48/50/584794850.db2.gz NNLGBBLDHVZZTR-MNOVXSKESA-N 1 3 247.333 0.915 20 0 BCADHO O[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764267 584797455 /nfs/dbraw/zinc/79/74/55/584797455.db2.gz QQIVOEIGQYCUSQ-NWDGAFQWSA-N 1 3 212.337 0.833 20 0 BCADHO COCC(COC)[NH2+][C@@H]1CCCC[C@H]1N ZINC000903764333 584797615 /nfs/dbraw/zinc/79/76/15/584797615.db2.gz RLDIIMJYPBRODK-GHMZBOCLSA-N 1 3 216.325 0.507 20 0 BCADHO CNC(=O)CCCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903755985 584798763 /nfs/dbraw/zinc/79/87/63/584798763.db2.gz NVFNKFLUYYCUIP-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CNC(=O)CCCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903755986 584798812 /nfs/dbraw/zinc/79/88/12/584798812.db2.gz NVFNKFLUYYCUIP-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO NCC1([C@@H]2CCCC[N@@H+]2CCO)CCC1 ZINC000903812111 584803387 /nfs/dbraw/zinc/80/33/87/584803387.db2.gz PZYPVKHGBZZBHX-NSHDSACASA-N 1 3 212.337 0.962 20 0 BCADHO NCC1([C@@H]2CCCC[N@H+]2CCO)CCC1 ZINC000903812111 584803389 /nfs/dbraw/zinc/80/33/89/584803389.db2.gz PZYPVKHGBZZBHX-NSHDSACASA-N 1 3 212.337 0.962 20 0 BCADHO CCN(CCC(=O)NC)C[C@@H]1CC[NH2+]C1 ZINC000903827427 584804991 /nfs/dbraw/zinc/80/49/91/584804991.db2.gz SHXBRCBDRGIWGB-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO NCCC[N@@H+]1CCCCCNC(=O)CC1 ZINC000903829388 584805260 /nfs/dbraw/zinc/80/52/60/584805260.db2.gz FPBAZBYDGVARFZ-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO NCCC[N@H+]1CCCCCNC(=O)CC1 ZINC000903829388 584805261 /nfs/dbraw/zinc/80/52/61/584805261.db2.gz FPBAZBYDGVARFZ-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO [NH3+]CCCN1CCCCCNC(=O)CC1 ZINC000903829388 584805262 /nfs/dbraw/zinc/80/52/62/584805262.db2.gz FPBAZBYDGVARFZ-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO C(CN1CCO[C@@H]2COCC[C@@H]21)[C@H]1CC[NH2+]C1 ZINC000903829223 584805350 /nfs/dbraw/zinc/80/53/50/584805350.db2.gz CHSGVKFDVGKHSW-FRRDWIJNSA-N 1 3 240.347 0.476 20 0 BCADHO C[C@H]1CCOCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903833813 584806242 /nfs/dbraw/zinc/80/62/42/584806242.db2.gz YEGFTCLQPRYJIA-RYUDHWBXSA-N 1 3 240.347 0.476 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903859146 584811146 /nfs/dbraw/zinc/81/11/46/584811146.db2.gz LGQUOJLFAZJXCH-ZYHUDNBSSA-N 1 3 226.320 0.753 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903859146 584811147 /nfs/dbraw/zinc/81/11/47/584811147.db2.gz LGQUOJLFAZJXCH-ZYHUDNBSSA-N 1 3 226.320 0.753 20 0 BCADHO CC[C@@H]1C(=O)NCCCN1CC[C@H]1CC[NH2+]C1 ZINC000903882577 584818167 /nfs/dbraw/zinc/81/81/67/584818167.db2.gz OFNCKWUQBYERRL-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](O)CC[N@H+](C)C[C@H](N)CC(F)F ZINC000903897017 584819734 /nfs/dbraw/zinc/81/97/34/584819734.db2.gz XUULQEGQHJCRRV-HTQZYQBOSA-N 1 3 210.268 0.672 20 0 BCADHO C[C@@H](O)CC[N@@H+](C)C[C@H](N)CC(F)F ZINC000903897017 584819735 /nfs/dbraw/zinc/81/97/35/584819735.db2.gz XUULQEGQHJCRRV-HTQZYQBOSA-N 1 3 210.268 0.672 20 0 BCADHO CN1CCN(C[C@H]([NH3+])CC(F)F)C(C)(C)C1 ZINC000903894762 584819893 /nfs/dbraw/zinc/81/98/93/584819893.db2.gz DHHKZOOUJGIGIC-SECBINFHSA-N 1 3 235.322 0.995 20 0 BCADHO C[C@H](O)CC[N@H+](C)C[C@@H](N)CC(F)F ZINC000903897020 584819930 /nfs/dbraw/zinc/81/99/30/584819930.db2.gz XUULQEGQHJCRRV-YUMQZZPRSA-N 1 3 210.268 0.672 20 0 BCADHO C[C@H](O)CC[N@@H+](C)C[C@@H](N)CC(F)F ZINC000903897020 584819931 /nfs/dbraw/zinc/81/99/31/584819931.db2.gz XUULQEGQHJCRRV-YUMQZZPRSA-N 1 3 210.268 0.672 20 0 BCADHO CC(C)(C)[C@@H](CO)NC[C@H]([NH3+])CC(F)F ZINC000903903488 584821136 /nfs/dbraw/zinc/82/11/36/584821136.db2.gz LKUSYMBYHUJDKE-HTQZYQBOSA-N 1 3 224.295 0.966 20 0 BCADHO CC(C)(C)[C@@H](CN)[NH2+]C[C@@H](N)CC(F)F ZINC000903920002 584823209 /nfs/dbraw/zinc/82/32/09/584823209.db2.gz RCQUTLCCZRFZCQ-JGVFFNPUSA-N 1 3 223.311 0.932 20 0 BCADHO COC(=O)[C@]12CCC[C@H]1CN(CCC[NH3+])C2 ZINC000903939443 584825489 /nfs/dbraw/zinc/82/54/89/584825489.db2.gz HMQPGTLNBVIZSQ-JQWIXIFHSA-N 1 3 226.320 0.610 20 0 BCADHO COC(=O)[C@]12CCC[C@H]1C[N@H+](CCCN)C2 ZINC000903939443 584825491 /nfs/dbraw/zinc/82/54/91/584825491.db2.gz HMQPGTLNBVIZSQ-JQWIXIFHSA-N 1 3 226.320 0.610 20 0 BCADHO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CCCN)C2 ZINC000903939443 584825492 /nfs/dbraw/zinc/82/54/92/584825492.db2.gz HMQPGTLNBVIZSQ-JQWIXIFHSA-N 1 3 226.320 0.610 20 0 BCADHO COC[C@H]([NH2+]CCCN)[C@@H]1CCCOC1 ZINC000903959419 584827809 /nfs/dbraw/zinc/82/78/09/584827809.db2.gz HTMDXAXZQRETLP-MNOVXSKESA-N 1 3 216.325 0.366 20 0 BCADHO COC[C@H]([NH2+]C1CCNCC1)[C@@H]1CCCOC1 ZINC000903960170 584827619 /nfs/dbraw/zinc/82/76/19/584827619.db2.gz YDESOCUDDZHSJX-YPMHNXCESA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@H](NC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903960170 584827621 /nfs/dbraw/zinc/82/76/21/584827621.db2.gz YDESOCUDDZHSJX-YPMHNXCESA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@H](NCCC[NH3+])[C@@H]1CCCOC1 ZINC000903959419 584827808 /nfs/dbraw/zinc/82/78/08/584827808.db2.gz HTMDXAXZQRETLP-MNOVXSKESA-N 1 3 216.325 0.366 20 0 BCADHO Nc1ccnc(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000903954029 584831403 /nfs/dbraw/zinc/83/14/03/584831403.db2.gz OHAMVEOZPQYAOI-LLVKDONJSA-N 1 3 220.320 0.896 20 0 BCADHO Nc1ccnc(CNCC2(C[NH3+])CC2)c1 ZINC000903953227 584831463 /nfs/dbraw/zinc/83/14/63/584831463.db2.gz CPBXOMWKMGAUSJ-UHFFFAOYSA-N 1 3 206.293 0.492 20 0 BCADHO N[C@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953166 584831623 /nfs/dbraw/zinc/83/16/23/584831623.db2.gz BMRAZNZWQMUBSN-JLIMGVALSA-N 1 3 234.290 0.672 20 0 BCADHO N[C@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953166 584831624 /nfs/dbraw/zinc/83/16/24/584831624.db2.gz BMRAZNZWQMUBSN-JLIMGVALSA-N 1 3 234.290 0.672 20 0 BCADHO CC(C)[C@@H](C[NH3+])CNCc1cc(N)ccn1 ZINC000903954322 584832290 /nfs/dbraw/zinc/83/22/90/584832290.db2.gz QOMGQNFKSRXHNZ-JTQLQIEISA-N 1 3 222.336 0.984 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1ccn(C)n1 ZINC000903973344 584832637 /nfs/dbraw/zinc/83/26/37/584832637.db2.gz ACVSZDNLJROAGB-GHMZBOCLSA-N 1 3 222.336 0.755 20 0 BCADHO CC(C)(C)CC[C@@H](N)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000904301289 584861401 /nfs/dbraw/zinc/86/14/01/584861401.db2.gz DCQQMVXWMIQKTC-GHMZBOCLSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)(C)CC[C@@H](N)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000904301289 584861402 /nfs/dbraw/zinc/86/14/02/584861402.db2.gz DCQQMVXWMIQKTC-GHMZBOCLSA-N 1 3 241.379 0.947 20 0 BCADHO CNC(=O)[C@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308482 584862948 /nfs/dbraw/zinc/86/29/48/584862948.db2.gz QUXOYKYJZFHTCF-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000904314430 584863211 /nfs/dbraw/zinc/86/32/11/584863211.db2.gz XDGGQVVDYRGWDZ-KXNHARMFSA-N 1 3 237.347 0.467 20 0 BCADHO COC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904342290 584867019 /nfs/dbraw/zinc/86/70/19/584867019.db2.gz CEMPNPIHEGGIOL-WISYIIOYSA-N 1 3 228.336 0.459 20 0 BCADHO CCC[C@@]1(C)C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904342563 584867290 /nfs/dbraw/zinc/86/72/90/584867290.db2.gz KQWGKRAGZUFFBI-LOWVWBTDSA-N 1 3 239.363 0.714 20 0 BCADHO CCN1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904346403 584868085 /nfs/dbraw/zinc/86/80/85/584868085.db2.gz TXPIBTDJTCPWQM-PHIMTYICSA-N 1 3 225.336 0.278 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCC[C@]23CCOC3=O)C1 ZINC000904348256 584868207 /nfs/dbraw/zinc/86/82/07/584868207.db2.gz OMFVSZSHQKRFPY-JFGNBEQYSA-N 1 3 224.304 0.505 20 0 BCADHO COC(=O)[C@H]1C[C@H](C)CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345302 584868527 /nfs/dbraw/zinc/86/85/27/584868527.db2.gz CSOHYRMJIRISLQ-WISYIIOYSA-N 1 3 240.347 0.997 20 0 BCADHO CCN1CCN(C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000904348810 584869050 /nfs/dbraw/zinc/86/90/50/584869050.db2.gz WDYMALYTTHXUMO-PHIMTYICSA-N 1 3 239.363 0.666 20 0 BCADHO Nc1ccc(CNCC[C@@H]2CC[NH2+]C2)nn1 ZINC000904353461 584869729 /nfs/dbraw/zinc/86/97/29/584869729.db2.gz NHYWHMHCTCNPDO-VIFPVBQESA-N 1 3 221.308 0.148 20 0 BCADHO [NH3+]CC1CC(N[C@H]2CNCCC2(F)F)C1 ZINC000904355518 584871241 /nfs/dbraw/zinc/87/12/41/584871241.db2.gz SYDZOXROIRQVSW-HACHORDNSA-N 1 3 219.279 0.311 20 0 BCADHO COC(=O)C1(CNC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904369053 584872621 /nfs/dbraw/zinc/87/26/21/584872621.db2.gz QPFDWUYVZYNODQ-GFCCVEGCSA-N 1 3 240.347 0.919 20 0 BCADHO COC(=O)C1(C[NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000904369053 584872622 /nfs/dbraw/zinc/87/26/22/584872622.db2.gz QPFDWUYVZYNODQ-GFCCVEGCSA-N 1 3 240.347 0.919 20 0 BCADHO CCN(C)C(=O)[C@@H](C)NC1CC(C[NH3+])C1 ZINC000904367620 584872686 /nfs/dbraw/zinc/87/26/86/584872686.db2.gz AMDHDNZZLBOGSC-XNWIYYODSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)(C)CC[C@@H]([NH3+])CNC[C@@H]1CNCCO1 ZINC000904372168 584873443 /nfs/dbraw/zinc/87/34/43/584873443.db2.gz ZAPIMMBLQLKXGI-NEPJUHHUSA-N 1 3 243.395 0.718 20 0 BCADHO C[C@@H]1CN(Cc2ccc(N)nn2)C[C@H]1CC[NH3+] ZINC000904389460 584875569 /nfs/dbraw/zinc/87/55/69/584875569.db2.gz YNZNJRDSBBKYMP-NXEZZACHSA-N 1 3 235.335 0.476 20 0 BCADHO Cc1nc([C@H]2CCN(C[C@H]3C[C@@H]([NH3+])C3)C2)no1 ZINC000904388151 584878040 /nfs/dbraw/zinc/87/80/40/584878040.db2.gz FDKJXBKSYLOKNP-GARJFASQSA-N 1 3 236.319 0.905 20 0 BCADHO C(C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1)[C@@H]1CCOC1 ZINC000904420213 584881908 /nfs/dbraw/zinc/88/19/08/584881908.db2.gz GTYXPTWUAJDRRU-FRRDWIJNSA-N 1 3 224.348 0.954 20 0 BCADHO C(C[N@H+]1C[C@@H]2CCNC[C@@H]2C1)[C@@H]1CCOC1 ZINC000904420213 584881909 /nfs/dbraw/zinc/88/19/09/584881909.db2.gz GTYXPTWUAJDRRU-FRRDWIJNSA-N 1 3 224.348 0.954 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877081426 584889757 /nfs/dbraw/zinc/88/97/57/584889757.db2.gz AWRGAOXEDCFLNT-HBNTYKKESA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106042 584890232 /nfs/dbraw/zinc/89/02/32/584890232.db2.gz OSGUMBKDFMXROQ-UWVGGRQHSA-N 1 3 215.341 0.556 20 0 BCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H](N)C1CCC1 ZINC000831970515 584911212 /nfs/dbraw/zinc/91/12/12/584911212.db2.gz ICJXSLMNGWSITC-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@H](N)C1CCC1 ZINC000831970515 584911213 /nfs/dbraw/zinc/91/12/13/584911213.db2.gz ICJXSLMNGWSITC-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884043375 584940460 /nfs/dbraw/zinc/94/04/60/584940460.db2.gz UUGWBTIOBPXFGB-MNOVXSKESA-N 1 3 227.352 0.748 20 0 BCADHO CC(=O)NCCCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000741250973 585111861 /nfs/dbraw/zinc/11/18/61/585111861.db2.gz KZIIVZKZVVSVRX-ZDUSSCGKSA-N 1 3 241.379 0.786 20 0 BCADHO CC(=O)NCCCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000741250973 585111862 /nfs/dbraw/zinc/11/18/62/585111862.db2.gz KZIIVZKZVVSVRX-ZDUSSCGKSA-N 1 3 241.379 0.786 20 0 BCADHO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N)n1 ZINC000742415271 585126053 /nfs/dbraw/zinc/12/60/53/585126053.db2.gz AYTWLWTWTLNNNH-LLVKDONJSA-N 1 3 245.330 0.818 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=S)NCCN(C)C ZINC000743579874 585137992 /nfs/dbraw/zinc/13/79/92/585137992.db2.gz MTQXRPZRNXYLLR-SNVBAGLBSA-N 1 3 246.424 0.352 20 0 BCADHO CN(CC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC000769933166 585566093 /nfs/dbraw/zinc/56/60/93/585566093.db2.gz FDAOHGMTDOCEMU-NSHDSACASA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC000805423053 585591865 /nfs/dbraw/zinc/59/18/65/585591865.db2.gz OHAIPQIBAAQRHT-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO OC[C@@H](NCCC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000771809118 585600628 /nfs/dbraw/zinc/60/06/28/585600628.db2.gz QTLUTYRDSVQAEM-CHWSQXEVSA-N 1 3 242.363 0.098 20 0 BCADHO CC(C)N(C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000774113252 585650533 /nfs/dbraw/zinc/65/05/33/585650533.db2.gz CQLAAAXVUHSPOO-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)CCO)C1 ZINC000779339869 585751470 /nfs/dbraw/zinc/75/14/70/585751470.db2.gz GFYUGOIOJQFNEO-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H](O)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000795140556 586069191 /nfs/dbraw/zinc/06/91/91/586069191.db2.gz OVTQZSSHOUOQMN-NWDGAFQWSA-N 1 3 235.331 0.973 20 0 BCADHO C[C@H](O)CN1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000795140557 586069233 /nfs/dbraw/zinc/06/92/33/586069233.db2.gz OVTQZSSHOUOQMN-RYUDHWBXSA-N 1 3 235.331 0.973 20 0 BCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH+](C)C ZINC000816832836 586766909 /nfs/dbraw/zinc/76/69/09/586766909.db2.gz OKYCWAFAKCVJPH-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CN1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)C1 ZINC000817888520 586831779 /nfs/dbraw/zinc/83/17/79/586831779.db2.gz HGLLXMXHQMHZAD-QJPTWQEYSA-N 1 3 211.353 0.940 20 0 BCADHO CN1CC[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888520 586831781 /nfs/dbraw/zinc/83/17/81/586831781.db2.gz HGLLXMXHQMHZAD-QJPTWQEYSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@@H](N[C@H]1CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000817890756 586833221 /nfs/dbraw/zinc/83/32/21/586833221.db2.gz YMMVWWHRWSOOEM-GRYCIOLGSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818565124 586901833 /nfs/dbraw/zinc/90/18/33/586901833.db2.gz PIZHLBZDYJMJBC-GWCFXTLKSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818594578 586904771 /nfs/dbraw/zinc/90/47/71/586904771.db2.gz RGYKCUIBVXLTOV-AWEZNQCLSA-N 1 3 247.342 0.956 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000827777017 587401580 /nfs/dbraw/zinc/40/15/80/587401580.db2.gz KJTQISWFHXUCIG-JQWIXIFHSA-N 1 3 245.342 0.535 20 0 BCADHO C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@@H](C)CN1 ZINC000831540220 587617812 /nfs/dbraw/zinc/61/78/12/587617812.db2.gz MHLIWCYDEFUQIY-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970604 587640525 /nfs/dbraw/zinc/64/05/25/587640525.db2.gz JJTZXWCULULILF-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970604 587640524 /nfs/dbraw/zinc/64/05/24/587640524.db2.gz JJTZXWCULULILF-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831971462 587640754 /nfs/dbraw/zinc/64/07/54/587640754.db2.gz XXJNZRAGARWUHD-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831971148 587640908 /nfs/dbraw/zinc/64/09/08/587640908.db2.gz STNYKUBLYKDOPP-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831971148 587640909 /nfs/dbraw/zinc/64/09/09/587640909.db2.gz STNYKUBLYKDOPP-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CCCCCCN(C)CC(=O)NCCC[NH3+] ZINC000832231404 587651678 /nfs/dbraw/zinc/65/16/78/587651678.db2.gz HMICOBVOWQWGQG-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000832458419 587661216 /nfs/dbraw/zinc/66/12/16/587661216.db2.gz GTRTWGXZZOPTHC-NXEZZACHSA-N 1 3 225.336 0.182 20 0 BCADHO NCc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000832526497 587665148 /nfs/dbraw/zinc/66/51/48/587665148.db2.gz JBMDFSCBCFZFAB-NSHDSACASA-N 1 3 219.288 0.319 20 0 BCADHO CC[C@@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607229 587669073 /nfs/dbraw/zinc/66/90/73/587669073.db2.gz VAXUHPHICORIMS-LLVKDONJSA-N 1 3 237.303 0.700 20 0 BCADHO C[NH2+]CCN(C)C(=O)c1cccc(CN)c1 ZINC000834419742 587754884 /nfs/dbraw/zinc/75/48/84/587754884.db2.gz YONDQWJHWOIVAH-UHFFFAOYSA-N 1 3 221.304 0.437 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000834608799 587760629 /nfs/dbraw/zinc/76/06/29/587760629.db2.gz SDSRFCAXZUHWHY-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+][C@H](CC(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000834846306 587768603 /nfs/dbraw/zinc/76/86/03/587768603.db2.gz RUTOHYDGCIZHCU-BDAKNGLRSA-N 1 3 247.289 0.227 20 0 BCADHO C[C@H](CNC(=O)NC[C@H](C)[NH3+])N1CCCCC1 ZINC000841723867 587972922 /nfs/dbraw/zinc/97/29/22/587972922.db2.gz BADUPLHCDHFVLC-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)NC[C@@H](C)N1CCCCC1 ZINC000841723864 587973354 /nfs/dbraw/zinc/97/33/54/587973354.db2.gz BADUPLHCDHFVLC-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO CC[NH2+]CC(=O)NC[C@H](N)c1ccccc1 ZINC000841847656 587977108 /nfs/dbraw/zinc/97/71/08/587977108.db2.gz FSHNVNMQMDOUAB-NSHDSACASA-N 1 3 221.304 0.412 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@H]([NH3+])C2CC2)[C@H]1C ZINC000841850320 587977951 /nfs/dbraw/zinc/97/79/51/587977951.db2.gz KUJSYIGFPAEQIV-QXEWZRGKSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(CN)c1 ZINC000841851749 587978496 /nfs/dbraw/zinc/97/84/96/587978496.db2.gz PHDDUNVHMZVMTM-GWCFXTLKSA-N 1 3 247.342 0.873 20 0 BCADHO O=C(N1CC[C@@]2(CCC[NH2+]2)C1)[C@@]1(F)CCNC1 ZINC000842514529 588032318 /nfs/dbraw/zinc/03/23/18/588032318.db2.gz XOEFKZLCVLNZKG-NWDGAFQWSA-N 1 3 241.310 0.043 20 0 BCADHO CN(C(=O)c1cccc(CN)c1)[C@H](C[NH3+])C1CC1 ZINC000842510955 588032341 /nfs/dbraw/zinc/03/23/41/588032341.db2.gz VOVNWAFNIGDFSH-CYBMUJFWSA-N 1 3 247.342 0.955 20 0 BCADHO Cn1cc(CNCCCCCC[NH3+])nn1 ZINC000843126190 588084272 /nfs/dbraw/zinc/08/42/72/588084272.db2.gz CATUUXYCMINFHN-UHFFFAOYSA-N 1 3 211.313 0.424 20 0 BCADHO CCNCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000843482335 588114378 /nfs/dbraw/zinc/11/43/78/588114378.db2.gz QYCJDTCTNVRQCH-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCCCCCC[NH3+] ZINC000843511442 588115465 /nfs/dbraw/zinc/11/54/65/588115465.db2.gz DXIIULAOMROIDL-SNVBAGLBSA-N 1 3 227.352 0.620 20 0 BCADHO [NH3+]CCCCCCNC(=O)[C@@H]1CCCCN1 ZINC000843504971 588117362 /nfs/dbraw/zinc/11/73/62/588117362.db2.gz AYOKQIBHJUCDFY-NSHDSACASA-N 1 3 227.352 0.764 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCCCCCC[NH3+] ZINC000843512490 588117625 /nfs/dbraw/zinc/11/76/25/588117625.db2.gz NIXKPCCJLJVEOR-QMMMGPOBSA-N 1 3 237.294 0.604 20 0 BCADHO CCNCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000844178339 588172068 /nfs/dbraw/zinc/17/20/68/588172068.db2.gz PKSXADYSJWHLBZ-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000844178339 588172070 /nfs/dbraw/zinc/17/20/70/588172070.db2.gz PKSXADYSJWHLBZ-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000844175160 588172222 /nfs/dbraw/zinc/17/22/22/588172222.db2.gz BSERAGHKKXYGRD-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000844175160 588172223 /nfs/dbraw/zinc/17/22/23/588172223.db2.gz BSERAGHKKXYGRD-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000844178338 588172260 /nfs/dbraw/zinc/17/22/60/588172260.db2.gz PKRIHSBXQPDOGP-ZYHUDNBSSA-N 1 3 243.326 0.146 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000844178338 588172261 /nfs/dbraw/zinc/17/22/61/588172261.db2.gz PKRIHSBXQPDOGP-ZYHUDNBSSA-N 1 3 243.326 0.146 20 0 BCADHO CC[NH2+]CC(=O)N1CCN(c2ccncc2)CC1 ZINC000844191306 588173030 /nfs/dbraw/zinc/17/30/30/588173030.db2.gz LGGRJESLDYPXLT-UHFFFAOYSA-N 1 3 248.330 0.340 20 0 BCADHO C[C@H]1C(=O)NCCCN1CCCCCC[NH3+] ZINC000846221309 588261484 /nfs/dbraw/zinc/26/14/84/588261484.db2.gz WOEKCAKUJIKNSI-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CCNCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000846680230 588282191 /nfs/dbraw/zinc/28/21/91/588282191.db2.gz DWIWONQWPXMQEX-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CCNCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846696145 588283505 /nfs/dbraw/zinc/28/35/05/588283505.db2.gz XRZISAZNBAVSGE-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000848431876 588384376 /nfs/dbraw/zinc/38/43/76/588384376.db2.gz PYXGIZCSQSASDD-UMNHJUIQSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848438403 588385108 /nfs/dbraw/zinc/38/51/08/588385108.db2.gz SOEKZAFZKLRXAM-FSPLSTOPSA-N 1 3 239.241 0.133 20 0 BCADHO CC1(CN[C@H]2CCC[C@@H]([NH3+])C2)OCCCO1 ZINC000848722138 588408468 /nfs/dbraw/zinc/40/84/68/588408468.db2.gz KDYRCZKJVQBTLD-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO CC[C@H](CNC1=[NH+]CCN1C)N1CCCC1 ZINC000848986320 588425676 /nfs/dbraw/zinc/42/56/76/588425676.db2.gz CBSLQRDJOYDMKO-LLVKDONJSA-N 1 3 224.352 0.752 20 0 BCADHO CCNC(=[NH2+])NC[C@@H](C)CN1CCN(C)CC1 ZINC000848994473 588428335 /nfs/dbraw/zinc/42/83/35/588428335.db2.gz KUZFBHFMRNYCSB-LLVKDONJSA-N 1 3 241.383 0.004 20 0 BCADHO COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030407 588442180 /nfs/dbraw/zinc/44/21/80/588442180.db2.gz OEVYIPDNDSDBQB-NXEZZACHSA-N 1 3 230.356 0.333 20 0 BCADHO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030419 588442359 /nfs/dbraw/zinc/44/23/59/588442359.db2.gz OEVYIPDNDSDBQB-VHSXEESVSA-N 1 3 230.356 0.333 20 0 BCADHO C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)CN(C)C ZINC000849030607 588442649 /nfs/dbraw/zinc/44/26/49/588442649.db2.gz PPDGJXMARSEIFF-MNOVXSKESA-N 1 3 242.367 0.477 20 0 BCADHO C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)CN(C)C ZINC000849030605 588442731 /nfs/dbraw/zinc/44/27/31/588442731.db2.gz PPDGJXMARSEIFF-GHMZBOCLSA-N 1 3 242.367 0.477 20 0 BCADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2C=CCC2)C1 ZINC000849349520 588474336 /nfs/dbraw/zinc/47/43/36/588474336.db2.gz CBFWXIYVEBWFFN-NEPJUHHUSA-N 1 3 237.347 0.492 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1NCC12CCCC2 ZINC000852825155 588706029 /nfs/dbraw/zinc/70/60/29/588706029.db2.gz LAEJAXIMPUQZDT-WDEREUQCSA-N 1 3 237.347 0.387 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852864267 588709078 /nfs/dbraw/zinc/70/90/78/588709078.db2.gz QROOERNIMHCFPU-CMPLNLGQSA-N 1 3 243.326 0.289 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C=C1CC[NH2+]CC1 ZINC000852861673 588709319 /nfs/dbraw/zinc/70/93/19/588709319.db2.gz GXKCTWDKGUDRBR-GFCCVEGCSA-N 1 3 237.347 0.507 20 0 BCADHO N[C@@H]1CN(C(=O)CCCCC[NH3+])CC[C@H]1F ZINC000852869301 588709577 /nfs/dbraw/zinc/70/95/77/588709577.db2.gz BTUIKNCNQPBGEU-NXEZZACHSA-N 1 3 231.315 0.403 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)NC1CCN(C)CC1 ZINC000861548213 589167762 /nfs/dbraw/zinc/16/77/62/589167762.db2.gz ODHRGQCZDLNJME-VIFPVBQESA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000861574077 589168974 /nfs/dbraw/zinc/16/89/74/589168974.db2.gz OLWNGCGRCYNHKY-UWVGGRQHSA-N 1 3 242.367 0.458 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000863541663 589297272 /nfs/dbraw/zinc/29/72/72/589297272.db2.gz LITSGEJDVHVGET-SRVKXCTJSA-N 1 3 238.331 0.965 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000863541663 589297273 /nfs/dbraw/zinc/29/72/73/589297273.db2.gz LITSGEJDVHVGET-SRVKXCTJSA-N 1 3 238.331 0.965 20 0 BCADHO Cc1cc([C@H](C)NCCOCCC[NH3+])n(C)n1 ZINC000863546102 589298012 /nfs/dbraw/zinc/29/80/12/589298012.db2.gz JIUUYYSXBQXJMS-NSHDSACASA-N 1 3 240.351 0.745 20 0 BCADHO Cc1cc([C@@H](C)NCCOCCC[NH3+])n(C)n1 ZINC000863546098 589298145 /nfs/dbraw/zinc/29/81/45/589298145.db2.gz JIUUYYSXBQXJMS-LLVKDONJSA-N 1 3 240.351 0.745 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N(C)C ZINC000863585852 589302008 /nfs/dbraw/zinc/30/20/08/589302008.db2.gz NHMOUKCJTWXTCK-YPMHNXCESA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)N(C)C ZINC000863585849 589302221 /nfs/dbraw/zinc/30/22/21/589302221.db2.gz NHMOUKCJTWXTCK-AAEUAGOBSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1C[C@H]1NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000864462278 589369626 /nfs/dbraw/zinc/36/96/26/589369626.db2.gz LBMPQLMIDSSURE-GXSJLCMTSA-N 1 3 222.336 0.771 20 0 BCADHO C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)CN(C)C ZINC000864467617 589371631 /nfs/dbraw/zinc/37/16/31/589371631.db2.gz VFFBNARFZMYSAL-BBBLOLIVSA-N 1 3 212.341 0.706 20 0 BCADHO CN(CCC[NH3+])CCc1ccc(C(N)=O)cc1 ZINC000866661459 589509010 /nfs/dbraw/zinc/50/90/10/589509010.db2.gz QDFSRFUTEBBRHF-UHFFFAOYSA-N 1 3 235.331 0.609 20 0 BCADHO C[NH2+]CCCN1CCCCCCNC(=O)CC1 ZINC000866683543 589511356 /nfs/dbraw/zinc/51/13/56/589511356.db2.gz DELSXZGYEPRHCQ-UHFFFAOYSA-N 1 3 241.379 0.978 20 0 BCADHO CNCCC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000866683543 589511357 /nfs/dbraw/zinc/51/13/57/589511357.db2.gz DELSXZGYEPRHCQ-UHFFFAOYSA-N 1 3 241.379 0.978 20 0 BCADHO CNCCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000866683543 589511359 /nfs/dbraw/zinc/51/13/59/589511359.db2.gz DELSXZGYEPRHCQ-UHFFFAOYSA-N 1 3 241.379 0.978 20 0 BCADHO C[C@H](NC(=O)CNC1CC1)C1CC[NH2+]CC1 ZINC000868012205 589544245 /nfs/dbraw/zinc/54/42/45/589544245.db2.gz LXZFUQYJJHPMIP-VIFPVBQESA-N 1 3 225.336 0.243 20 0 BCADHO COCC(C)(C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000122351772 589582681 /nfs/dbraw/zinc/58/26/81/589582681.db2.gz VJJCHFKSIRGDMZ-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870913849 589696937 /nfs/dbraw/zinc/69/69/37/589696937.db2.gz GOEUNGPAWZQVIG-AOOOYVTPSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871537 589693239 /nfs/dbraw/zinc/69/32/39/589693239.db2.gz DPDJHYZWLALFHX-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870874133 589693591 /nfs/dbraw/zinc/69/35/91/589693591.db2.gz UYDDPGNVGBUFLM-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000870892817 589695079 /nfs/dbraw/zinc/69/50/79/589695079.db2.gz MPHLRUYFWIARJI-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO O=C(CCC12CC(C1)C[NH2+]2)N1CCCNCC1 ZINC000870933566 589698044 /nfs/dbraw/zinc/69/80/44/589698044.db2.gz PVVOGHMOUMTVIH-UHFFFAOYSA-N 1 3 237.347 0.341 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCN1 ZINC000870945209 589700279 /nfs/dbraw/zinc/70/02/79/589700279.db2.gz HGMPYEHZPMJFJX-PHIMTYICSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@H](CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870964397 589701935 /nfs/dbraw/zinc/70/19/35/589701935.db2.gz BKRMLOANRPRKGF-KGYLQXTDSA-N 1 3 247.342 0.930 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870968744 589702714 /nfs/dbraw/zinc/70/27/14/589702714.db2.gz CRQVXSPZKYBFAV-FXPVBKGRSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981483 589703040 /nfs/dbraw/zinc/70/30/40/589703040.db2.gz IXTCKXWOFKATSV-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981483 589703041 /nfs/dbraw/zinc/70/30/41/589703041.db2.gz IXTCKXWOFKATSV-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO N[C@H](CC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870971474 589703247 /nfs/dbraw/zinc/70/32/47/589703247.db2.gz BKRMLOANRPRKGF-RAIGVLPGSA-N 1 3 247.342 0.930 20 0 BCADHO CC(C)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870973079 589704023 /nfs/dbraw/zinc/70/40/23/589704023.db2.gz IUCMLUNEXGSYDE-ZSBIGDGJSA-N 1 3 239.363 0.631 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870972952 589704165 /nfs/dbraw/zinc/70/41/65/589704165.db2.gz DEGJGBBLVUDGIH-MMWGEVLESA-N 1 3 225.336 0.241 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981528 589704875 /nfs/dbraw/zinc/70/48/75/589704875.db2.gz JGKAZQOBRMKGBL-SDDRHHMPSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981528 589704876 /nfs/dbraw/zinc/70/48/76/589704876.db2.gz JGKAZQOBRMKGBL-SDDRHHMPSA-N 1 3 239.363 0.522 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987174 589705875 /nfs/dbraw/zinc/70/58/75/589705875.db2.gz HVXZFNMMNWXVNP-UMNHJUIQSA-N 1 3 241.379 0.864 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000123824402 589825213 /nfs/dbraw/zinc/82/52/13/589825213.db2.gz PIGWDXKQOVFAOB-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[NH+](C)CCCNC(=O)c1cccc(CN)c1 ZINC000019265576 589833149 /nfs/dbraw/zinc/83/31/49/589833149.db2.gz QMJYRUKHOSUIJG-UHFFFAOYSA-N 1 3 235.331 0.827 20 0 BCADHO COC(=O)CC[C@@H]1CCC[N@H+](CCN)C1 ZINC000872153613 589885000 /nfs/dbraw/zinc/88/50/00/589885000.db2.gz DSJNWEIVCJXCNX-JTQLQIEISA-N 1 3 214.309 0.610 20 0 BCADHO COC(=O)CC[C@@H]1CCC[N@@H+](CCN)C1 ZINC000872153613 589885002 /nfs/dbraw/zinc/88/50/02/589885002.db2.gz DSJNWEIVCJXCNX-JTQLQIEISA-N 1 3 214.309 0.610 20 0 BCADHO O=C1CC2(CCC2)N(C[C@@H]2CC[NH2+]C2)CCN1 ZINC000872156717 589885691 /nfs/dbraw/zinc/88/56/91/589885691.db2.gz CPZOQJCPUTWFDM-LLVKDONJSA-N 1 3 237.347 0.341 20 0 BCADHO CN1CCC[C@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123989365 589889528 /nfs/dbraw/zinc/88/95/28/589889528.db2.gz WGMDBGRMXGWKEA-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)CC(C)(C)O)CC1 ZINC000872198430 589889614 /nfs/dbraw/zinc/88/96/14/589889614.db2.gz XEZYNSXMBAHPRA-LBPRGKRZSA-N 1 3 244.379 0.582 20 0 BCADHO CC1(C)CCNCCN1C(=O)CCC[NH3+] ZINC000872290702 589906465 /nfs/dbraw/zinc/90/64/65/589906465.db2.gz ZBCGEXNBNDEBLX-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCCC1(C)C ZINC000872297438 589907792 /nfs/dbraw/zinc/90/77/92/589907792.db2.gz PDJGMEJMTQZXRV-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](C(=O)N1CCNCCC1(C)C)[C@H](C)[NH3+] ZINC000872298594 589907799 /nfs/dbraw/zinc/90/77/99/589907799.db2.gz NZRUNDVOBQPAMK-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNCCC1(C)C ZINC000872297440 589908324 /nfs/dbraw/zinc/90/83/24/589908324.db2.gz PDJGMEJMTQZXRV-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C)CCNC(=O)CCCCCC[NH3+] ZINC000019504095 589940807 /nfs/dbraw/zinc/94/08/07/589940807.db2.gz YFNLSYVMKFJDHJ-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO CC(C)[C@@H](C[NH3+])CN[C@@H]1CNCCC1(F)F ZINC000873211731 589990127 /nfs/dbraw/zinc/99/01/27/589990127.db2.gz DFBUYDLRPXHFTO-VHSXEESVSA-N 1 3 235.322 0.804 20 0 BCADHO Nc1cnc(CNC2CCC([NH3+])CC2)cn1 ZINC000873208157 589994092 /nfs/dbraw/zinc/99/40/92/589994092.db2.gz CZZXYMIAQOZTLW-UHFFFAOYSA-N 1 3 221.308 0.418 20 0 BCADHO C([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C12CC(C1)CN2 ZINC000873215939 589998003 /nfs/dbraw/zinc/99/80/03/589998003.db2.gz HMRMMKIVNFLJTA-ZRFAVCCESA-N 1 3 234.343 0.751 20 0 BCADHO C[C@@H](NCc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873220058 589999033 /nfs/dbraw/zinc/99/90/33/589999033.db2.gz IOLYBPNMDNYLQJ-SECBINFHSA-N 1 3 235.335 0.537 20 0 BCADHO c1ccc2c(c1)CN[C@@H](CN[C@@H]1CC[NH2+]C1)C2 ZINC000873295861 590023817 /nfs/dbraw/zinc/02/38/17/590023817.db2.gz ADYVXQUIOJTDIE-ZIAGYGMSSA-N 1 3 231.343 0.652 20 0 BCADHO C[C@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297572 590025300 /nfs/dbraw/zinc/02/53/00/590025300.db2.gz YEWCULDRDISGOA-FIQHERPVSA-N 1 3 212.337 0.735 20 0 BCADHO CC1(C)[C@H](C(=O)N2CCCNCC2)C[C@@H]1[NH3+] ZINC000876506006 590204348 /nfs/dbraw/zinc/20/43/48/590204348.db2.gz NIAKWXKKODMPSW-UWVGGRQHSA-N 1 3 225.336 0.182 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876538426 590211712 /nfs/dbraw/zinc/21/17/12/590211712.db2.gz QAXBQMUDADVMFK-XYPYZODXSA-N 1 3 239.363 0.714 20 0 BCADHO CC1(C)[C@H](C(=O)NCCN2CCCC2)C[C@@H]1[NH3+] ZINC000876712755 590232832 /nfs/dbraw/zinc/23/28/32/590232832.db2.gz JJRPHXKQGXVDPK-QWRGUYRKSA-N 1 3 239.363 0.572 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876734065 590234254 /nfs/dbraw/zinc/23/42/54/590234254.db2.gz OKJMZYRGKURZQU-AXFHLTTASA-N 1 3 239.363 0.570 20 0 BCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000876736512 590234669 /nfs/dbraw/zinc/23/46/69/590234669.db2.gz UYZMVAKQMGLOIV-JMHFSYBUSA-N 1 3 239.363 0.464 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876846350 590247372 /nfs/dbraw/zinc/24/73/72/590247372.db2.gz AWYXDTZMLHFOQQ-RKDXNWHRSA-N 1 3 213.325 0.038 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876846349 590248763 /nfs/dbraw/zinc/24/87/63/590248763.db2.gz AWYXDTZMLHFOQQ-IUCAKERBSA-N 1 3 213.325 0.038 20 0 BCADHO O=C(CCC1C[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000876866897 590251594 /nfs/dbraw/zinc/25/15/94/590251594.db2.gz MKLATSVCXHGDNZ-VIFPVBQESA-N 1 3 247.289 0.099 20 0 BCADHO CC1(C)CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCN1 ZINC000876871272 590252141 /nfs/dbraw/zinc/25/21/41/590252141.db2.gz IOVVHCRNQAHJNY-VHSXEESVSA-N 1 3 243.326 0.144 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925082 590257636 /nfs/dbraw/zinc/25/76/36/590257636.db2.gz SXRVUEYNECVTAT-PWSUYJOCSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877081475 590279903 /nfs/dbraw/zinc/27/99/03/590279903.db2.gz CGNIGQKYXLSANW-OUAUKWLOSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)C1(N)CCCCC1 ZINC000877095985 590281971 /nfs/dbraw/zinc/28/19/71/590281971.db2.gz WUNYKQHRSCAIAN-SECBINFHSA-N 1 3 213.325 0.454 20 0 BCADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH3+])N(C)C ZINC000877103641 590284171 /nfs/dbraw/zinc/28/41/71/590284171.db2.gz XBKJWWYLKQHAIA-VHSXEESVSA-N 1 3 215.341 0.378 20 0 BCADHO CCNCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000877119984 590288969 /nfs/dbraw/zinc/28/89/69/590288969.db2.gz NAYSZMSLLBDGER-UHFFFAOYSA-N 1 3 249.314 0.480 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153634 590293302 /nfs/dbraw/zinc/29/33/02/590293302.db2.gz XAYZZUQKZVVACL-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CC1(C)CC[C@@H](CNC(=O)CNC2CC2)[NH2+]C1 ZINC000877153766 590293389 /nfs/dbraw/zinc/29/33/89/590293389.db2.gz YNHHDUATTBQIQN-NSHDSACASA-N 1 3 239.363 0.633 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877154999 590293408 /nfs/dbraw/zinc/29/34/08/590293408.db2.gz RCYUQPKHTDKIGW-VHSXEESVSA-N 1 3 227.352 0.489 20 0 BCADHO NCc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000877170648 590296023 /nfs/dbraw/zinc/29/60/23/590296023.db2.gz RQIJLMYZNWDLBV-BETUJISGSA-N 1 3 245.326 0.722 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191998 590298902 /nfs/dbraw/zinc/29/89/02/590298902.db2.gz GWKHYPHSLDHWCS-AKJDGMEZSA-N 1 3 239.363 0.842 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192287 590299122 /nfs/dbraw/zinc/29/91/22/590299122.db2.gz KIZULHCPDSWTDR-YXMLORGKSA-N 1 3 239.363 0.986 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188324 590299162 /nfs/dbraw/zinc/29/91/62/590299162.db2.gz ZLINKSTWMQISMO-JKDSDDBFSA-N 1 3 247.289 0.451 20 0 BCADHO CC1(C)CCNCCN1C(=O)CCC1C[NH2+]C1 ZINC000877232973 590301568 /nfs/dbraw/zinc/30/15/68/590301568.db2.gz HYAQXJJIUBMRNC-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N(C)C ZINC000877243858 590303312 /nfs/dbraw/zinc/30/33/12/590303312.db2.gz QJPRSYRKMVKVPT-GMTAPVOTSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877274645 590305397 /nfs/dbraw/zinc/30/53/97/590305397.db2.gz MCTFRNPCSXBXLP-WDEREUQCSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283405 590307006 /nfs/dbraw/zinc/30/70/06/590307006.db2.gz PFBNTBFCBQXQAY-BBBLOLIVSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877292567 590307751 /nfs/dbraw/zinc/30/77/51/590307751.db2.gz OVLBQVLDJVLMEU-FXPVBKGRSA-N 1 3 225.336 0.513 20 0 BCADHO CC1([NH+]2CCCCC2)CCN(C(=O)CN)CC1 ZINC000877301508 590309871 /nfs/dbraw/zinc/30/98/71/590309871.db2.gz VWNLQUSLZVRVJR-UHFFFAOYSA-N 1 3 239.363 0.812 20 0 BCADHO CC(C)([NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877346285 590319057 /nfs/dbraw/zinc/31/90/57/590319057.db2.gz AMXVPAIHBXXGGQ-GFCCVEGCSA-N 1 3 247.342 0.554 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374159 590319893 /nfs/dbraw/zinc/31/98/93/590319893.db2.gz ZBLSTVDUUDFKTD-GBIKHYSHSA-N 1 3 237.347 0.195 20 0 BCADHO CC[C@H](C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)N(C)C ZINC000877385547 590320578 /nfs/dbraw/zinc/32/05/78/590320578.db2.gz LKKPMCXKCLWWSR-NQBHXWOUSA-N 1 3 239.363 0.727 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391080 590321996 /nfs/dbraw/zinc/32/19/96/590321996.db2.gz MLQBBYSAXATDDX-FYBVGQRMSA-N 1 3 247.289 0.370 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393445 590322020 /nfs/dbraw/zinc/32/20/20/590322020.db2.gz XUWBQPXYZCMKCV-WCQYABFASA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CC)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391486 590322301 /nfs/dbraw/zinc/32/23/01/590322301.db2.gz NZERPMMRIICRPQ-AAEUAGOBSA-N 1 3 239.363 0.729 20 0 BCADHO NCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401697 590322702 /nfs/dbraw/zinc/32/27/02/590322702.db2.gz MPALGAYTUHULHV-SNVBAGLBSA-N 1 3 225.336 0.374 20 0 BCADHO O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@]1(F)CCNC1 ZINC000877398012 590323321 /nfs/dbraw/zinc/32/33/21/590323321.db2.gz ADZDIPSELRNMJN-DLOVCJGASA-N 1 3 241.310 0.089 20 0 BCADHO CC(C)NCC(=O)N(C)CCCCCC[NH3+] ZINC000877437506 590328085 /nfs/dbraw/zinc/32/80/85/590328085.db2.gz IQIHEKOXAQBBCM-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)C1(N)CC1 ZINC000877444513 590328905 /nfs/dbraw/zinc/32/89/05/590328905.db2.gz NGPHNIPAKUHBOM-UHFFFAOYSA-N 1 3 213.325 0.455 20 0 BCADHO CN1CC[C@@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000879572446 590810892 /nfs/dbraw/zinc/81/08/92/590810892.db2.gz HJGCDEAIUVZSMP-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CC[C@@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000879572446 590810893 /nfs/dbraw/zinc/81/08/93/590810893.db2.gz HJGCDEAIUVZSMP-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580008 590816860 /nfs/dbraw/zinc/81/68/60/590816860.db2.gz DCFGUYSDARTESU-IJLUTSLNSA-N 1 3 244.404 0.736 20 0 BCADHO CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580008 590816863 /nfs/dbraw/zinc/81/68/63/590816863.db2.gz DCFGUYSDARTESU-IJLUTSLNSA-N 1 3 244.404 0.736 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879582028 590820472 /nfs/dbraw/zinc/82/04/72/590820472.db2.gz PJGBNSUXYPKZJP-WOPDTQHZSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879582028 590820476 /nfs/dbraw/zinc/82/04/76/590820476.db2.gz PJGBNSUXYPKZJP-WOPDTQHZSA-N 1 3 228.336 0.020 20 0 BCADHO C[C@@H]1CN(CCCO)CCN1c1cc[nH+]cc1 ZINC000880261395 590980452 /nfs/dbraw/zinc/98/04/52/590980452.db2.gz JTHWHJBSWFWPNN-GFCCVEGCSA-N 1 3 235.331 0.975 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000129089691 591245274 /nfs/dbraw/zinc/24/52/74/591245274.db2.gz PHHJMJGPXMUQOJ-UDNWOFFPSA-N 1 3 213.325 0.452 20 0 BCADHO CCN(CC)CC(=O)NC1CCC([NH3+])CC1 ZINC000131709280 591644594 /nfs/dbraw/zinc/64/45/94/591644594.db2.gz ZFBIUNRZXGDCRR-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@](C[NH3+])(NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000883418334 591654535 /nfs/dbraw/zinc/65/45/35/591654535.db2.gz FALMBAODYXRTDH-DCAQKATOSA-N 1 3 215.316 0.403 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883434311 591663684 /nfs/dbraw/zinc/66/36/84/591663684.db2.gz NCMRZNMULBZRJJ-UKKRHICBSA-N 1 3 215.316 0.546 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCN1CCOC1=O ZINC000883441145 591668310 /nfs/dbraw/zinc/66/83/10/591668310.db2.gz IHBCNQUQGPUWIO-BDAKNGLRSA-N 1 3 227.308 0.154 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCN1CCOC1=O ZINC000883441145 591668313 /nfs/dbraw/zinc/66/83/13/591668313.db2.gz IHBCNQUQGPUWIO-BDAKNGLRSA-N 1 3 227.308 0.154 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883441220 591668811 /nfs/dbraw/zinc/66/88/11/591668811.db2.gz KCBUACNVPLZROE-QEYWKRMJSA-N 1 3 215.316 0.402 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000883447054 591670809 /nfs/dbraw/zinc/67/08/09/591670809.db2.gz RNTZUQUGSMQYEO-QWRGUYRKSA-N 1 3 218.316 0.638 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000883447054 591670811 /nfs/dbraw/zinc/67/08/11/591670811.db2.gz RNTZUQUGSMQYEO-QWRGUYRKSA-N 1 3 218.316 0.638 20 0 BCADHO CO[C@@H]1COCC[C@H]1N(C)C[C@H]1CC[NH2+]C1 ZINC000883461029 591673837 /nfs/dbraw/zinc/67/38/37/591673837.db2.gz MKYYDODJZWPLHJ-QJPTWQEYSA-N 1 3 228.336 0.332 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000884007682 591795934 /nfs/dbraw/zinc/79/59/34/591795934.db2.gz KUDUBLWNZIAEIE-LLVKDONJSA-N 1 3 239.363 0.892 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000884013712 591798805 /nfs/dbraw/zinc/79/88/05/591798805.db2.gz QLOJIPMBJPJZGK-VWYCJHECSA-N 1 3 243.351 0.079 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884017511 591800090 /nfs/dbraw/zinc/80/00/90/591800090.db2.gz YVKSORWEYWBRAW-GHMZBOCLSA-N 1 3 225.336 0.230 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017639 591800629 /nfs/dbraw/zinc/80/06/29/591800629.db2.gz BJXSRQAASDNGMW-GHMZBOCLSA-N 1 3 225.336 0.372 20 0 BCADHO CCCN(C(=O)[C@H](N)CC1CC1)[C@H]1CC[NH2+]C1 ZINC000884026630 591809167 /nfs/dbraw/zinc/80/91/67/591809167.db2.gz IGWWIRCWJHDMKB-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026742 591810172 /nfs/dbraw/zinc/81/01/72/591810172.db2.gz KVLHBHKUHJJJNI-MNOVXSKESA-N 1 3 225.336 0.230 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@@H](C)N1 ZINC000884030663 591814095 /nfs/dbraw/zinc/81/40/95/591814095.db2.gz VBLHRQNMGDFBPT-FXPVBKGRSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H](C)N1 ZINC000884030666 591814150 /nfs/dbraw/zinc/81/41/50/591814150.db2.gz VBLHRQNMGDFBPT-WCABBAIRSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@](C[NH3+])(NC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000884031458 591814953 /nfs/dbraw/zinc/81/49/53/591814953.db2.gz PRVZAWZIIPIMTM-JQWIXIFHSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CC[C@@H]1[NH3+] ZINC000884033782 591816793 /nfs/dbraw/zinc/81/67/93/591816793.db2.gz SZJXGSMZWSTLLT-DVVUODLYSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884036387 591817862 /nfs/dbraw/zinc/81/78/62/591817862.db2.gz UNDYRIONHDNZEX-ZYHUDNBSSA-N 1 3 227.352 0.603 20 0 BCADHO COCC[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000884040814 591823546 /nfs/dbraw/zinc/82/35/46/591823546.db2.gz DYFKFGHJIVXHDQ-WDEREUQCSA-N 1 3 245.367 0.182 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000884244673 591882271 /nfs/dbraw/zinc/88/22/71/591882271.db2.gz JJQMNSWUDRYUCA-UTUOFQBUSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@]1(CNC(=O)[C@H](N)CC2CC2)CCC[NH2+]C1 ZINC000884246967 591883110 /nfs/dbraw/zinc/88/31/10/591883110.db2.gz DTEFBMRANXLCBF-YPMHNXCESA-N 1 3 239.363 0.620 20 0 BCADHO CC1(CNC(=O)[C@@H](N)CC2CC2)CC[NH2+]CC1 ZINC000884246986 591883294 /nfs/dbraw/zinc/88/32/94/591883294.db2.gz FQNKDJOPAHVRLS-NSHDSACASA-N 1 3 239.363 0.620 20 0 BCADHO C[C@@]1(CNC(=O)[C@H](N)CC2CC2)CCC[NH2+]C1 ZINC000884246965 591883452 /nfs/dbraw/zinc/88/34/52/591883452.db2.gz DTEFBMRANXLCBF-DGCLKSJQSA-N 1 3 239.363 0.620 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CCN1 ZINC000884266729 591888288 /nfs/dbraw/zinc/88/82/88/591888288.db2.gz GGSGBJAYOGMEIA-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267379 591888793 /nfs/dbraw/zinc/88/87/93/591888793.db2.gz DTLAVHMVPGJWJK-OUAUKWLOSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)CC[NH2+]1 ZINC000884274743 591889515 /nfs/dbraw/zinc/88/95/15/591889515.db2.gz UDVYMFMFYDOWGF-DVVUODLYSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884286474 591893616 /nfs/dbraw/zinc/89/36/16/591893616.db2.gz FJKMDFWNUAVHNI-VXGBXAGGSA-N 1 3 239.363 0.844 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884294445 591895575 /nfs/dbraw/zinc/89/55/75/591895575.db2.gz BAVWKZJOJGYCFI-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO CN(C(=O)[C@H](N)CC1CC1)C1(C[NH3+])CCC1 ZINC000884300263 591899291 /nfs/dbraw/zinc/89/92/91/591899291.db2.gz UFROEOURALOXGF-SNVBAGLBSA-N 1 3 225.336 0.454 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884302623 591899755 /nfs/dbraw/zinc/89/97/55/591899755.db2.gz VDZLCOLDGQPHJJ-GHMZBOCLSA-N 1 3 239.363 0.618 20 0 BCADHO CN(C(=O)[C@@H](N)CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000884338623 591905587 /nfs/dbraw/zinc/90/55/87/591905587.db2.gz NVAOMGVHDZJUEA-WDEREUQCSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347816 591908555 /nfs/dbraw/zinc/90/85/55/591908555.db2.gz HBQVGEWUNSJRCW-IVZWLZJFSA-N 1 3 227.352 0.602 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000884348082 591909612 /nfs/dbraw/zinc/90/96/12/591909612.db2.gz NSOGEQMIICIYBJ-BBBLOLIVSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348290 591910211 /nfs/dbraw/zinc/91/02/11/591910211.db2.gz TZHFHYYCHKUXES-HRDYMLBCSA-N 1 3 227.352 0.602 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358761 591912714 /nfs/dbraw/zinc/91/27/14/591912714.db2.gz XOLXHRSONUOCBH-UWVGGRQHSA-N 1 3 227.352 0.569 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358334 591912758 /nfs/dbraw/zinc/91/27/58/591912758.db2.gz OZDOGFVPWOYYEJ-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000884358859 591913002 /nfs/dbraw/zinc/91/30/02/591913002.db2.gz ZNUCGPISUYEMDO-GARJFASQSA-N 1 3 241.379 0.815 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884360309 591913451 /nfs/dbraw/zinc/91/34/51/591913451.db2.gz YFAZLZIPFJOPCK-DJLDLDEBSA-N 1 3 213.325 0.212 20 0 BCADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000884364634 591916700 /nfs/dbraw/zinc/91/67/00/591916700.db2.gz UVMJXGRZOVAIQN-BBBLOLIVSA-N 1 3 227.352 0.569 20 0 BCADHO CO[C@@H](CN)C(=O)NCCC[N@H+](C)CC(C)C ZINC000884380480 591920898 /nfs/dbraw/zinc/92/08/98/591920898.db2.gz FGOQIAXULGZSDT-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO CO[C@@H](CN)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000884380480 591920901 /nfs/dbraw/zinc/92/09/01/591920901.db2.gz FGOQIAXULGZSDT-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)[C@H](C[NH3+])C1 ZINC000884411911 591928297 /nfs/dbraw/zinc/92/82/97/591928297.db2.gz CBYPNBCZKUFCMU-ADEWGFFLSA-N 1 3 239.363 0.700 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884431364 591932856 /nfs/dbraw/zinc/93/28/56/591932856.db2.gz RUDZJHCHNIAUJL-WDEREUQCSA-N 1 3 237.347 0.515 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000884461012 591940951 /nfs/dbraw/zinc/94/09/51/591940951.db2.gz RDEKBEKYMYOOMV-AKJDGMEZSA-N 1 3 237.347 0.596 20 0 BCADHO COCC[C@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464674 591943265 /nfs/dbraw/zinc/94/32/65/591943265.db2.gz YBFDEAYGYAMQGY-JTQLQIEISA-N 1 3 243.351 0.128 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137395080 592176102 /nfs/dbraw/zinc/17/61/02/592176102.db2.gz SPHAXXOYXMQVCQ-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+]C1CCN(C[C@H]2C[C@]23CCOC3)CC1 ZINC000886827255 592350487 /nfs/dbraw/zinc/35/04/87/592350487.db2.gz HVBQGOMQELWKBU-PWSUYJOCSA-N 1 3 210.321 0.836 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828194 592352083 /nfs/dbraw/zinc/35/20/83/592352083.db2.gz ZABDFWCUDOHTHV-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828194 592352087 /nfs/dbraw/zinc/35/20/87/592352087.db2.gz ZABDFWCUDOHTHV-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2C[C@]23CCOC3)C1 ZINC000886828194 592352091 /nfs/dbraw/zinc/35/20/91/592352091.db2.gz ZABDFWCUDOHTHV-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@H]2C[C@@]23CCOC3)CCCO1 ZINC000886839913 592361361 /nfs/dbraw/zinc/36/13/61/592361361.db2.gz OPCWVGPRIMSHBO-JHJVBQTASA-N 1 3 240.347 0.463 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1C[C@]12CCOC2 ZINC000886841375 592362301 /nfs/dbraw/zinc/36/23/01/592362301.db2.gz JLPSCWLKLLQGJK-RHYQMDGZSA-N 1 3 210.321 0.835 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1C[C@]13CCOC3)C2 ZINC000886841886 592362856 /nfs/dbraw/zinc/36/28/56/592362856.db2.gz ZKBDVKWXQLZVHZ-FQUUOJAGSA-N 1 3 236.359 0.954 20 0 BCADHO CCN(C[C@@H]1CCC2(CNC2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847058 592365918 /nfs/dbraw/zinc/36/59/18/592365918.db2.gz YACVRGAIPNPYKB-NEPJUHHUSA-N 1 3 239.363 0.191 20 0 BCADHO c1nnn2c1CN(CCC1CC[NH2+]CC1)CCC2 ZINC000886857825 592369306 /nfs/dbraw/zinc/36/93/06/592369306.db2.gz BNHYHMHHFSVYSF-UHFFFAOYSA-N 1 3 249.362 0.874 20 0 BCADHO C[C@H](CNC(=[NH2+])NCC1CC1)N1CCCC1 ZINC000887348293 592484632 /nfs/dbraw/zinc/48/46/32/592484632.db2.gz CDXRCIYNUFYWLJ-SNVBAGLBSA-N 1 3 224.352 0.995 20 0 BCADHO CN(C[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000300058118 592502604 /nfs/dbraw/zinc/50/26/04/592502604.db2.gz VLQMYTAMUGUPPC-AAEUAGOBSA-N 1 3 223.364 0.907 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000302716088 592553415 /nfs/dbraw/zinc/55/34/15/592553415.db2.gz ZIHBCIXEAHSLAX-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000302716088 592553416 /nfs/dbraw/zinc/55/34/16/592553416.db2.gz ZIHBCIXEAHSLAX-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001026916910 634391563 /nfs/dbraw/zinc/39/15/63/634391563.db2.gz RRRGQPNZPMBAHV-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000925707606 634396802 /nfs/dbraw/zinc/39/68/02/634396802.db2.gz LXZMBKSKKMUAKH-IUCAKERBSA-N 1 3 233.306 0.714 20 0 BCADHO CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091550 634436759 /nfs/dbraw/zinc/43/67/59/634436759.db2.gz PAKBHESAACTODK-JTQLQIEISA-N 1 3 236.319 0.410 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCN1C ZINC000925723182 634463299 /nfs/dbraw/zinc/46/32/99/634463299.db2.gz OIMJNYSNROIZNQ-IJLUTSLNSA-N 1 3 211.353 0.811 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000250883428 635503338 /nfs/dbraw/zinc/50/33/38/635503338.db2.gz VYKKFQFUNNOQQK-JHJVBQTASA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000250883428 635503347 /nfs/dbraw/zinc/50/33/47/635503347.db2.gz VYKKFQFUNNOQQK-JHJVBQTASA-N 1 3 224.348 0.974 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925840771 635504607 /nfs/dbraw/zinc/50/46/07/635504607.db2.gz WWTSYYAZTHOBMA-SDDRHHMPSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CNC(=O)C1 ZINC000925841231 635507116 /nfs/dbraw/zinc/50/71/16/635507116.db2.gz ZQFKKKJSTQAAJO-HBNTYKKESA-N 1 3 225.336 0.243 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000251524293 635567260 /nfs/dbraw/zinc/56/72/60/635567260.db2.gz JRAGREYLGPEALV-MXWKQRLJSA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000251524293 635567269 /nfs/dbraw/zinc/56/72/69/635567269.db2.gz JRAGREYLGPEALV-MXWKQRLJSA-N 1 3 216.325 0.195 20 0 BCADHO c1ccc(CN2CCNCC[NH2+]CC2)cc1 ZINC000082095435 631401230 /nfs/dbraw/zinc/40/12/30/631401230.db2.gz FNJKRVYABOAQHB-UHFFFAOYSA-N 1 3 219.332 0.681 20 0 BCADHO CC[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251091511 635703461 /nfs/dbraw/zinc/70/34/61/635703461.db2.gz OSLGNZOSDWCOQL-MBYGNEARSA-N 1 3 212.337 0.972 20 0 BCADHO COCC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000052790780 632489043 /nfs/dbraw/zinc/48/90/43/632489043.db2.gz OHIOXEVTYRWWJG-JTQLQIEISA-N 1 3 245.367 0.054 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089140041 632656875 /nfs/dbraw/zinc/65/68/75/632656875.db2.gz CGYHBPLYAIUEQA-VXGBXAGGSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000089140041 632656879 /nfs/dbraw/zinc/65/68/79/632656879.db2.gz CGYHBPLYAIUEQA-VXGBXAGGSA-N 1 3 241.379 0.866 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)CC1CC1 ZINC000310185106 632707108 /nfs/dbraw/zinc/70/71/08/632707108.db2.gz VSMVJNIGTTXZDW-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)CC1CC1 ZINC000310185106 632707119 /nfs/dbraw/zinc/70/71/19/632707119.db2.gz VSMVJNIGTTXZDW-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000052041379 632780326 /nfs/dbraw/zinc/78/03/26/632780326.db2.gz UVXWUYXQCJMKAB-JTQLQIEISA-N 1 3 212.341 0.995 20 0 BCADHO CCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000052041381 632781234 /nfs/dbraw/zinc/78/12/34/632781234.db2.gz UVXWUYXQCJMKAB-SNVBAGLBSA-N 1 3 212.341 0.995 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335625071 635884016 /nfs/dbraw/zinc/88/40/16/635884016.db2.gz RSQXWQJAACEYRS-WCQYABFASA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335623586 635884517 /nfs/dbraw/zinc/88/45/17/635884517.db2.gz IHQHYUNSZFHWBF-MFKMUULPSA-N 1 3 239.363 0.714 20 0 BCADHO NCC(C[NH3+])NCc1cc(F)ccc1Cl ZINC000309531947 633189206 /nfs/dbraw/zinc/18/92/06/633189206.db2.gz DCVKSXCJVPHXHP-UHFFFAOYSA-N 1 3 231.702 0.855 20 0 BCADHO CCN(CC)C(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122309399 633206079 /nfs/dbraw/zinc/20/60/79/633206079.db2.gz QXLOUGGVZAWNRX-VXGBXAGGSA-N 1 3 241.379 0.772 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](N)CC1CC1 ZINC000306102911 635957564 /nfs/dbraw/zinc/95/75/64/635957564.db2.gz QJWATIJQOACDME-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCCF)C2)C1 ZINC001019772559 633791145 /nfs/dbraw/zinc/79/11/45/633791145.db2.gz KGBXZQXTUFDMOM-QWRGUYRKSA-N 1 3 243.326 0.098 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCCF)C2)C1 ZINC001019772559 633791157 /nfs/dbraw/zinc/79/11/57/633791157.db2.gz KGBXZQXTUFDMOM-QWRGUYRKSA-N 1 3 243.326 0.098 20 0 BCADHO C(CN1CCCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925508898 633846249 /nfs/dbraw/zinc/84/62/49/633846249.db2.gz JUYVNCSZIIIVFW-LBPRGKRZSA-N 1 3 223.364 0.956 20 0 BCADHO CCc1nncn1CCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925513446 633855955 /nfs/dbraw/zinc/85/59/55/633855955.db2.gz GLEXMGZZEZVXMJ-WDEREUQCSA-N 1 3 249.362 0.700 20 0 BCADHO CCc1nncn1CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925513446 633855957 /nfs/dbraw/zinc/85/59/57/633855957.db2.gz GLEXMGZZEZVXMJ-WDEREUQCSA-N 1 3 249.362 0.700 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925685141 634299249 /nfs/dbraw/zinc/29/92/49/634299249.db2.gz GMIMUFXLCGRTPU-WISYIIOYSA-N 1 3 242.363 0.896 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925685140 634300500 /nfs/dbraw/zinc/30/05/00/634300500.db2.gz GMIMUFXLCGRTPU-WHOHXGKFSA-N 1 3 242.363 0.896 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCc1cc(N)ccn1 ZINC000925767909 635186177 /nfs/dbraw/zinc/18/61/77/635186177.db2.gz RHOBQHHTWYWKHS-JOYOIKCWSA-N 1 3 220.320 0.894 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCO[C@H]1CCOC1 ZINC000925873444 635589861 /nfs/dbraw/zinc/58/98/61/635589861.db2.gz AGECSNLSFRENNH-FRRDWIJNSA-N 1 3 242.363 0.770 20 0 BCADHO CN1C[C@@H]([NH2+]C2[C@@H]3CC[C@H]2CN(C)C3)CC1=O ZINC000924896248 635751119 /nfs/dbraw/zinc/75/11/19/635751119.db2.gz MEAHPONVISONGN-NUVITONLSA-N 1 3 237.347 0.147 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987529990 636652355 /nfs/dbraw/zinc/65/23/55/636652355.db2.gz FRGVHNIWJRCWDF-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987529988 636653068 /nfs/dbraw/zinc/65/30/68/636653068.db2.gz FRGVHNIWJRCWDF-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989493157 636860241 /nfs/dbraw/zinc/86/02/41/636860241.db2.gz RNGWNUMKFPLDLH-MWLCHTKSSA-N 1 3 236.319 0.551 20 0 BCADHO CCO[C@@H](CN[C@H](COC)C1CC1)C[NH+](C)C ZINC000926961188 636974117 /nfs/dbraw/zinc/97/41/17/636974117.db2.gz IFRYEURYYCRWOI-QWHCGFSZSA-N 1 3 244.379 0.968 20 0 BCADHO CC[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000034563719 637050090 /nfs/dbraw/zinc/05/00/90/637050090.db2.gz KKGOXFKFVKGBEM-VIFPVBQESA-N 1 3 201.314 0.359 20 0 BCADHO CCN(CCC(N)=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903577248 637374870 /nfs/dbraw/zinc/37/48/70/637374870.db2.gz HOCPMEDRYSKOTC-ZJUUUORDSA-N 1 3 213.325 0.039 20 0 BCADHO [NH3+]CC1CC([NH2+]Cc2cncc([O-])c2)C1 ZINC000904432863 637400974 /nfs/dbraw/zinc/40/09/74/637400974.db2.gz ICFSXTHJHZMKBK-UHFFFAOYSA-N 1 3 207.277 0.614 20 0 BCADHO [NH3+]CCCN[C@]12CC(=O)N[C@H]1CCCC2 ZINC000904474280 637426291 /nfs/dbraw/zinc/42/62/91/637426291.db2.gz XCZDHZGABQLDKH-GXSJLCMTSA-N 1 3 211.309 0.126 20 0 BCADHO C[C@H](C[NH3+])n1cc(CNC(C)(C)C)nn1 ZINC000905057265 637591174 /nfs/dbraw/zinc/59/11/74/637591174.db2.gz OBPIAZSUZSCEBA-MRVPVSSYSA-N 1 3 211.313 0.686 20 0 BCADHO C[C@@H](C[NH3+])n1cc(CNC(C)(C)C)nn1 ZINC000905057266 637592221 /nfs/dbraw/zinc/59/22/21/637592221.db2.gz OBPIAZSUZSCEBA-QMMMGPOBSA-N 1 3 211.313 0.686 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)C2(O)CCC2)CC[N@@H+]1C ZINC000905132593 637645132 /nfs/dbraw/zinc/64/51/32/637645132.db2.gz BKGXLTLZPFUMND-WOPDTQHZSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132593 637645137 /nfs/dbraw/zinc/64/51/37/637645137.db2.gz BKGXLTLZPFUMND-WOPDTQHZSA-N 1 3 242.363 0.335 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000906091978 638048367 /nfs/dbraw/zinc/04/83/67/638048367.db2.gz RJSASJYUNOAJFW-HBNTYKKESA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000906091313 638049069 /nfs/dbraw/zinc/04/90/69/638049069.db2.gz CJBNMXFCDQRIMV-QJPTWQEYSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000906092193 638049512 /nfs/dbraw/zinc/04/95/12/638049512.db2.gz UPIPMFDCNKRXJO-HRDYMLBCSA-N 1 3 201.314 0.212 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000906092026 638049761 /nfs/dbraw/zinc/04/97/61/638049761.db2.gz SLAVQAYVLWAXJM-HBNTYKKESA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000906097210 638053881 /nfs/dbraw/zinc/05/38/81/638053881.db2.gz MISBGPLCMRCVEX-WZRBSPASSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@H](O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918202 711469167 /nfs/dbraw/zinc/46/91/67/711469167.db2.gz MRFTYXKMWQVWNS-SRVKXCTJSA-N 1 3 212.337 0.831 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911619486 639683189 /nfs/dbraw/zinc/68/31/89/639683189.db2.gz IYONNGIUEHHUFW-ONGXEEELSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670365 639697590 /nfs/dbraw/zinc/69/75/90/639697590.db2.gz KNPLWYDEBWSCFV-CMPLNLGQSA-N 1 3 241.379 0.947 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)C[C@@H](C)CC ZINC000911688993 639728818 /nfs/dbraw/zinc/72/88/18/639728818.db2.gz XVILUTATHHMGNJ-WDEREUQCSA-N 1 3 229.368 0.866 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CC[NH2+]C1)C1CCCCCC1 ZINC000911698858 639732456 /nfs/dbraw/zinc/73/24/56/639732456.db2.gz LUXZFGFFASGMFO-NWDGAFQWSA-N 1 3 239.363 0.762 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)C[C@H](C)CC ZINC000911751031 639778077 /nfs/dbraw/zinc/77/80/77/639778077.db2.gz TUGUJXQOLIUCHR-NXEZZACHSA-N 1 3 215.341 0.476 20 0 BCADHO C[C@H](O)[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461389 639761433 /nfs/dbraw/zinc/76/14/33/639761433.db2.gz VXCOWRSEHALIJF-GVWAJWJKSA-N 1 3 242.363 0.285 20 0 BCADHO C[C@H](O)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461389 639761441 /nfs/dbraw/zinc/76/14/41/639761441.db2.gz VXCOWRSEHALIJF-GVWAJWJKSA-N 1 3 242.363 0.285 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737048 639761847 /nfs/dbraw/zinc/76/18/47/639761847.db2.gz QWPDOHIZEWFPTG-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC[NH2+]C ZINC000911749173 639774987 /nfs/dbraw/zinc/77/49/87/639774987.db2.gz XLTCHRVCIIGXCA-IUCAKERBSA-N 1 3 201.314 0.086 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000911752110 639778681 /nfs/dbraw/zinc/77/86/81/639778681.db2.gz JZXKVEZGVDZCTP-MWLCHTKSSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911768001 639793609 /nfs/dbraw/zinc/79/36/09/639793609.db2.gz NXIKFVIGBWYXHZ-SRVKXCTJSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911788878 639805419 /nfs/dbraw/zinc/80/54/19/639805419.db2.gz SHAZPHISFRVDFX-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787820 639806034 /nfs/dbraw/zinc/80/60/34/639806034.db2.gz VULOJFOBHBKZAL-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C1(C(=O)N2C[C@@H](C)N[C@@H](C)C2)CCC1 ZINC000911793881 639807952 /nfs/dbraw/zinc/80/79/52/639807952.db2.gz DNOMTDVEQRQVCK-AOOOYVTPSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)C[C@H](C)N1 ZINC000911796276 639819669 /nfs/dbraw/zinc/81/96/69/639819669.db2.gz NGMCXLSPOJGLCT-AXFHLTTASA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801648 639824949 /nfs/dbraw/zinc/82/49/49/639824949.db2.gz FJRQUYNXJPMFBE-XHVZSJERSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833325 639845535 /nfs/dbraw/zinc/84/55/35/639845535.db2.gz KRVJWZFYDZWKED-RYUDHWBXSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869528 639853247 /nfs/dbraw/zinc/85/32/47/639853247.db2.gz WMIHKBSJNMQOAL-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCO[C@@H]3CCOC3)C[C@H]21 ZINC000931278509 640127727 /nfs/dbraw/zinc/12/77/27/640127727.db2.gz ZCTRWRRNIOZQHF-NDBYEHHHSA-N 1 3 240.347 0.284 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCO[C@@H]3CCOC3)C[C@H]21 ZINC000931278509 640127731 /nfs/dbraw/zinc/12/77/31/640127731.db2.gz ZCTRWRRNIOZQHF-NDBYEHHHSA-N 1 3 240.347 0.284 20 0 BCADHO Cn1cncc1CCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280169 640135212 /nfs/dbraw/zinc/13/52/12/640135212.db2.gz CWRHEHGXKXOSEL-WDNDVIMCSA-N 1 3 248.374 0.845 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](CCCc3cncn3C)C[C@H]21 ZINC000931280169 640135214 /nfs/dbraw/zinc/13/52/14/640135214.db2.gz CWRHEHGXKXOSEL-WDNDVIMCSA-N 1 3 248.374 0.845 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCCc3cncn3C)C[C@H]21 ZINC000931280169 640135221 /nfs/dbraw/zinc/13/52/21/640135221.db2.gz CWRHEHGXKXOSEL-WDNDVIMCSA-N 1 3 248.374 0.845 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438797 640201200 /nfs/dbraw/zinc/20/12/00/640201200.db2.gz OSRQZIUVEQYEBJ-GRYCIOLGSA-N 1 3 238.331 0.576 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CCC(=O)O3)C[C@@H]2C1 ZINC000931438797 640201210 /nfs/dbraw/zinc/20/12/10/640201210.db2.gz OSRQZIUVEQYEBJ-GRYCIOLGSA-N 1 3 238.331 0.576 20 0 BCADHO COCCOCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436929 640204547 /nfs/dbraw/zinc/20/45/47/640204547.db2.gz VIVGUKVCIWYPSI-QWHCGFSZSA-N 1 3 242.363 0.533 20 0 BCADHO COCCOCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436929 640204550 /nfs/dbraw/zinc/20/45/50/640204550.db2.gz VIVGUKVCIWYPSI-QWHCGFSZSA-N 1 3 242.363 0.533 20 0 BCADHO CC[C@H](CO)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931547290 640265282 /nfs/dbraw/zinc/26/52/82/640265282.db2.gz QDFPZAGINTZPPP-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](CO)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931547290 640265283 /nfs/dbraw/zinc/26/52/83/640265283.db2.gz QDFPZAGINTZPPP-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726826 640462266 /nfs/dbraw/zinc/46/22/66/640462266.db2.gz IEFITJFYOJKWMI-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO Cn1cncc1CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734846 640761230 /nfs/dbraw/zinc/76/12/30/640761230.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 1 3 248.374 0.846 20 0 BCADHO Cn1cncc1CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734846 640761234 /nfs/dbraw/zinc/76/12/34/640761234.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 1 3 248.374 0.846 20 0 BCADHO Cn1cncc1CC[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933734846 640761239 /nfs/dbraw/zinc/76/12/39/640761239.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 1 3 248.374 0.846 20 0 BCADHO Cn1cncc1CC[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933734846 640761244 /nfs/dbraw/zinc/76/12/44/640761244.db2.gz XLMQNNGVJVWIOL-OCCSQVGLSA-N 1 3 248.374 0.846 20 0 BCADHO CCNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227767864 640848116 /nfs/dbraw/zinc/84/81/16/640848116.db2.gz DKQZCWUTVYWOEY-VHSXEESVSA-N 1 3 213.325 0.039 20 0 BCADHO CC(C)[C@H](C)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000229256764 640939420 /nfs/dbraw/zinc/93/94/20/640939420.db2.gz MHCBBCLUKGKVDM-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[C@@H](N)c1cn(CC[NH+](C)C)nn1 ZINC000229959013 640997094 /nfs/dbraw/zinc/99/70/94/640997094.db2.gz ZLZZCTLKUQLBNX-SECBINFHSA-N 1 3 211.313 0.640 20 0 BCADHO Cn1nccc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230772641 641094493 /nfs/dbraw/zinc/09/44/93/641094493.db2.gz OXUNMHZFNFEIOW-GHMZBOCLSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1nccc1CCN1CCC[C@H](C[NH3+])C1 ZINC000230749835 641097291 /nfs/dbraw/zinc/09/72/91/641097291.db2.gz OFLFJCRJRKHODE-LLVKDONJSA-N 1 3 222.336 0.633 20 0 BCADHO [NH3+]CCNC(=O)[C@H]1CCCN(C/C=C/Cl)C1 ZINC000063179875 641143065 /nfs/dbraw/zinc/14/30/65/641143065.db2.gz NHAJOYNDNATXMF-YWNRKNDBSA-N 1 3 245.754 0.526 20 0 BCADHO CN(C[C@H](O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000307938300 641195130 /nfs/dbraw/zinc/19/51/30/641195130.db2.gz KKFIGAOBLHORLY-SECBINFHSA-N 1 3 240.269 0.984 20 0 BCADHO C[N@H+](C[C@H](O)CC(F)(F)F)C1CCNCC1 ZINC000307938300 641195138 /nfs/dbraw/zinc/19/51/38/641195138.db2.gz KKFIGAOBLHORLY-SECBINFHSA-N 1 3 240.269 0.984 20 0 BCADHO C[N@@H+](C[C@H](O)CC(F)(F)F)C1CCNCC1 ZINC000307938300 641195147 /nfs/dbraw/zinc/19/51/47/641195147.db2.gz KKFIGAOBLHORLY-SECBINFHSA-N 1 3 240.269 0.984 20 0 BCADHO C[C@@H]([NH3+])CN(C)CCCc1cncn1C ZINC000314862722 641579809 /nfs/dbraw/zinc/57/98/09/641579809.db2.gz JNDIPIDBZDJOLJ-SNVBAGLBSA-N 1 3 210.325 0.632 20 0 BCADHO C[C@@H](N)C[N@H+](C)CCCc1cncn1C ZINC000314862722 641579814 /nfs/dbraw/zinc/57/98/14/641579814.db2.gz JNDIPIDBZDJOLJ-SNVBAGLBSA-N 1 3 210.325 0.632 20 0 BCADHO C[C@@H](N)C[N@@H+](C)CCCc1cncn1C ZINC000314862722 641579820 /nfs/dbraw/zinc/57/98/20/641579820.db2.gz JNDIPIDBZDJOLJ-SNVBAGLBSA-N 1 3 210.325 0.632 20 0 BCADHO CN1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2CN)CC1=O ZINC000723548248 711516280 /nfs/dbraw/zinc/51/62/80/711516280.db2.gz SJAKMQCNUHHOIU-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000891403537 642484956 /nfs/dbraw/zinc/48/49/56/642484956.db2.gz SFVKWVMZGDKEIH-OUAUKWLOSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012109 642499930 /nfs/dbraw/zinc/49/99/30/642499930.db2.gz UDEGMVHKAFVLOW-NSHDSACASA-N 1 3 213.325 0.195 20 0 BCADHO COCCOCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253230127 642632961 /nfs/dbraw/zinc/63/29/61/642632961.db2.gz LUYVQBQPOCSJOK-VXGBXAGGSA-N 1 3 230.352 0.566 20 0 BCADHO CCO[C@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000233765272 642692197 /nfs/dbraw/zinc/69/21/97/642692197.db2.gz FVODGPPAXXBNJI-QWRGUYRKSA-N 1 3 212.337 0.999 20 0 BCADHO CCO[C@@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000233783502 642693947 /nfs/dbraw/zinc/69/39/47/642693947.db2.gz FVODGPPAXXBNJI-GHMZBOCLSA-N 1 3 212.337 0.999 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967923938 642805117 /nfs/dbraw/zinc/80/51/17/642805117.db2.gz CJVBALHJRRXTKT-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO COC[C@@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000068890890 642807364 /nfs/dbraw/zinc/80/73/64/642807364.db2.gz ITYHMKRSPRLNGQ-DCAQKATOSA-N 1 3 216.325 0.053 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C(C)C)C1)N(C)C ZINC000969077402 642822506 /nfs/dbraw/zinc/82/25/06/642822506.db2.gz QHENUCFPZYDOFO-VXGBXAGGSA-N 1 3 241.379 0.926 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019435601 643034418 /nfs/dbraw/zinc/03/44/18/643034418.db2.gz KDWQNWXSKUFIMU-VIFPVBQESA-N 1 3 222.292 0.163 20 0 BCADHO CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020587536 643220675 /nfs/dbraw/zinc/22/06/75/643220675.db2.gz JVFRSYAZZKASMK-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969845221 643230834 /nfs/dbraw/zinc/23/08/34/643230834.db2.gz WMMPXVGSEMJLPO-VXGBXAGGSA-N 1 3 241.379 0.783 20 0 BCADHO CCN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186877 643282710 /nfs/dbraw/zinc/28/27/10/643282710.db2.gz YMIXOAGEFFGJNG-NSHDSACASA-N 1 3 225.336 0.006 20 0 BCADHO CCN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186877 643282713 /nfs/dbraw/zinc/28/27/13/643282713.db2.gz YMIXOAGEFFGJNG-NSHDSACASA-N 1 3 225.336 0.006 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000082679993 643365157 /nfs/dbraw/zinc/36/51/57/643365157.db2.gz OLSKMGRLEASOHR-VXNVDRBHSA-N 1 3 240.269 0.969 20 0 BCADHO CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970879491 643585508 /nfs/dbraw/zinc/58/55/08/643585508.db2.gz ZCSJNWRVVROHTB-QWRGUYRKSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970879491 643585517 /nfs/dbraw/zinc/58/55/17/643585517.db2.gz ZCSJNWRVVROHTB-QWRGUYRKSA-N 1 3 239.363 0.395 20 0 BCADHO C[NH+](C)CCn1cc(CNC(C)(C)C)nn1 ZINC000052422749 643646223 /nfs/dbraw/zinc/64/62/23/643646223.db2.gz YYPOWCPBVFVOKG-UHFFFAOYSA-N 1 3 225.340 0.728 20 0 BCADHO CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001000228383 643760343 /nfs/dbraw/zinc/76/03/43/643760343.db2.gz SJGZFNNJDABBBA-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCO[C@H](C[NH2+]C1CCN(C)CC1)CN(C)C ZINC000922762596 644088980 /nfs/dbraw/zinc/08/89/80/644088980.db2.gz XNBKDLSXPZSPPJ-CYBMUJFWSA-N 1 3 243.395 0.637 20 0 BCADHO CCOCC[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923290191 644323159 /nfs/dbraw/zinc/32/31/59/644323159.db2.gz VLQBYJXREZPXOM-AGIUHOORSA-N 1 3 244.379 0.833 20 0 BCADHO CC1(C)CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315830 644342628 /nfs/dbraw/zinc/34/26/28/644342628.db2.gz LATIMHAZBSBRPZ-GUBZILKMSA-N 1 3 230.377 0.664 20 0 BCADHO CCN1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317516 644344388 /nfs/dbraw/zinc/34/43/88/644344388.db2.gz DKUXCCCWCHZRMQ-LBPRGKRZSA-N 1 3 239.363 0.002 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311042 644345911 /nfs/dbraw/zinc/34/59/11/644345911.db2.gz FRQSALPOVZNAKL-MNOVXSKESA-N 1 3 242.388 0.802 20 0 BCADHO CCN(C[C@H](O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000923336547 644357266 /nfs/dbraw/zinc/35/72/66/644357266.db2.gz UPAGZVHYKBUJSU-NEPJUHHUSA-N 1 3 230.352 0.458 20 0 BCADHO NCC(CN)[NH2+]CCSC(F)(F)F ZINC000923357391 644364958 /nfs/dbraw/zinc/36/49/58/644364958.db2.gz YSZMGILEKOPGQZ-UHFFFAOYSA-N 1 3 217.260 0.115 20 0 BCADHO NCC(C[NH3+])NCCSC(F)(F)F ZINC000923357391 644364966 /nfs/dbraw/zinc/36/49/66/644364966.db2.gz YSZMGILEKOPGQZ-UHFFFAOYSA-N 1 3 217.260 0.115 20 0 BCADHO NCC(C[NH3+])NCCSc1ccc(F)cc1 ZINC000923358568 644366446 /nfs/dbraw/zinc/36/64/46/644366446.db2.gz CZQIBBSQAVAARA-UHFFFAOYSA-N 1 3 243.351 0.793 20 0 BCADHO NCC(C[NH3+])NCCOC1CCCCCC1 ZINC000923351333 644366996 /nfs/dbraw/zinc/36/69/96/644366996.db2.gz IMSBHVCVXIHDAI-UHFFFAOYSA-N 1 3 229.368 0.601 20 0 BCADHO NCC(C[NH3+])N[C@H]1CCc2ccc(F)cc21 ZINC000923351349 644367455 /nfs/dbraw/zinc/36/74/55/644367455.db2.gz JHBYIBZWHXBGFI-LBPRGKRZSA-N 1 3 223.295 0.689 20 0 BCADHO Cc1cc(C)c(CNC(CN)C[NH3+])c(C)n1 ZINC000923356339 644371278 /nfs/dbraw/zinc/37/12/78/644371278.db2.gz LEDYUYXXBBIAHN-UHFFFAOYSA-N 1 3 222.336 0.382 20 0 BCADHO CC(C)OCC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923355188 644371332 /nfs/dbraw/zinc/37/13/32/644371332.db2.gz HIMZHQYEFZQPEP-CHWSQXEVSA-N 1 3 244.379 0.833 20 0 BCADHO NCC(CN)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000923359138 644372725 /nfs/dbraw/zinc/37/27/25/644372725.db2.gz MOXSLBKODFVWOM-LBPRGKRZSA-N 1 3 233.359 0.982 20 0 BCADHO Cc1cccc2nc(CNC(CN)C[NH3+])cn21 ZINC000923354969 644373232 /nfs/dbraw/zinc/37/32/32/644373232.db2.gz ZUNJZPIBLAELCL-UHFFFAOYSA-N 1 3 233.319 0.018 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923366954 644378233 /nfs/dbraw/zinc/37/82/33/644378233.db2.gz BNKXIHIDXDGJAL-GHMZBOCLSA-N 1 3 232.368 0.735 20 0 BCADHO CSC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923371072 644383433 /nfs/dbraw/zinc/38/34/33/644383433.db2.gz VBKXREFGVYJJIT-BDAKNGLRSA-N 1 3 220.382 0.673 20 0 BCADHO CO[C@@H](C[NH2+]C(CN)CN)C1CCCCC1 ZINC000923360248 644384015 /nfs/dbraw/zinc/38/40/15/644384015.db2.gz YYPFGWFVOFLHTF-LBPRGKRZSA-N 1 3 229.368 0.457 20 0 BCADHO CCOCC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923371225 644384160 /nfs/dbraw/zinc/38/41/60/644384160.db2.gz VWRKOAGIKOBPNE-MNOVXSKESA-N 1 3 232.368 0.737 20 0 BCADHO CCOC[C@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923371633 644384439 /nfs/dbraw/zinc/38/44/39/644384439.db2.gz CNYKXHAZTFZBLG-CHWSQXEVSA-N 1 3 244.379 0.881 20 0 BCADHO CSC[C@@H](O)C[N@H+](C)C1(CN)CCC1 ZINC000923362946 644389483 /nfs/dbraw/zinc/38/94/83/644389483.db2.gz RCFKGUKPEDJKTN-VIFPVBQESA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@@H](O)C[N@@H+](C)C1(CN)CCC1 ZINC000923362946 644389486 /nfs/dbraw/zinc/38/94/86/644389486.db2.gz RCFKGUKPEDJKTN-VIFPVBQESA-N 1 3 218.366 0.524 20 0 BCADHO COC[C@H](O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000923372980 644389511 /nfs/dbraw/zinc/38/95/11/644389511.db2.gz KQHLXIGDHVXCKO-VXGBXAGGSA-N 1 3 230.352 0.491 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@]3(CC3(F)F)C2)C1 ZINC000923390014 644395531 /nfs/dbraw/zinc/39/55/31/644395531.db2.gz AUEDZRZNWZGZFB-XKNYDFJKSA-N 1 3 232.274 0.568 20 0 BCADHO C(C[NH2+]C1CC1)CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000923384785 644396299 /nfs/dbraw/zinc/39/62/99/644396299.db2.gz NBAGBPZDBAYFTA-STQMWFEESA-N 1 3 239.363 0.191 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000923410405 644411456 /nfs/dbraw/zinc/41/14/56/644411456.db2.gz GTWPJBFWAHDXBD-WDEREUQCSA-N 1 3 232.393 0.914 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000923410405 644411458 /nfs/dbraw/zinc/41/14/58/644411458.db2.gz GTWPJBFWAHDXBD-WDEREUQCSA-N 1 3 232.393 0.914 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000923392661 644408901 /nfs/dbraw/zinc/40/89/01/644408901.db2.gz KQEJUPRYHFFPDT-WOPDTQHZSA-N 1 3 230.352 0.586 20 0 BCADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCO)C1 ZINC000923412752 644414842 /nfs/dbraw/zinc/41/48/42/644414842.db2.gz AQIFUWSDDNQICA-LLVKDONJSA-N 1 3 200.326 0.676 20 0 BCADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCO)C1 ZINC000923412752 644414847 /nfs/dbraw/zinc/41/48/47/644414847.db2.gz AQIFUWSDDNQICA-LLVKDONJSA-N 1 3 200.326 0.676 20 0 BCADHO CCOCCOCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923423747 644418849 /nfs/dbraw/zinc/41/88/49/644418849.db2.gz YTZFUGTYIWAYMQ-QWRGUYRKSA-N 1 3 230.352 0.755 20 0 BCADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923419804 644423714 /nfs/dbraw/zinc/42/37/14/644423714.db2.gz CXTLLOZEBCCJRV-QJPTWQEYSA-N 1 3 244.379 0.878 20 0 BCADHO CC(C)OCC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419804 644423718 /nfs/dbraw/zinc/42/37/18/644423718.db2.gz CXTLLOZEBCCJRV-QJPTWQEYSA-N 1 3 244.379 0.878 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923432021 644424418 /nfs/dbraw/zinc/42/44/18/644424418.db2.gz ZSURKMWIXDHLGO-WDEREUQCSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923432021 644424423 /nfs/dbraw/zinc/42/44/23/644424423.db2.gz ZSURKMWIXDHLGO-WDEREUQCSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000923432019 644424518 /nfs/dbraw/zinc/42/45/18/644424518.db2.gz ZSURKMWIXDHLGO-MNOVXSKESA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000923432019 644424521 /nfs/dbraw/zinc/42/45/21/644424521.db2.gz ZSURKMWIXDHLGO-MNOVXSKESA-N 1 3 230.352 0.443 20 0 BCADHO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@H]1CNCCO1 ZINC000923436867 644427964 /nfs/dbraw/zinc/42/79/64/644427964.db2.gz SVTPRHPIFIVMRK-FIQHERPVSA-N 1 3 227.352 0.046 20 0 BCADHO CO[C@H](C[NH+]1CCNCCNCC1)C1CCC1 ZINC000923459766 644434980 /nfs/dbraw/zinc/43/49/80/644434980.db2.gz FTDUDRKXLIDMIC-CYBMUJFWSA-N 1 3 241.379 0.296 20 0 BCADHO C=C/C=C\CC[NH+]1CCNCCNCC1 ZINC000923460774 644445232 /nfs/dbraw/zinc/44/52/32/644445232.db2.gz QURCDVKHNVDNDE-ARJAWSKDSA-N 1 3 209.337 0.614 20 0 BCADHO C[C@H]1CN(Cc2cncn2C)CC[C@H]1C[NH3+] ZINC000923497314 644469302 /nfs/dbraw/zinc/46/93/02/644469302.db2.gz DOIDRTBAAJAOLV-QWRGUYRKSA-N 1 3 222.336 0.837 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250241003 644749734 /nfs/dbraw/zinc/74/97/34/644749734.db2.gz LFCLZMVLVCROBQ-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250241003 644749740 /nfs/dbraw/zinc/74/97/40/644749740.db2.gz LFCLZMVLVCROBQ-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)CC1CC1 ZINC000304319134 644889797 /nfs/dbraw/zinc/88/97/97/644889797.db2.gz FJUDOZLTSLURBV-GXSJLCMTSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+][C@H](CC1CC1)C(=O)NCCN1CCCC1 ZINC000304398203 644899864 /nfs/dbraw/zinc/89/98/64/644899864.db2.gz VHBVAXOBQAEMAG-LLVKDONJSA-N 1 3 225.336 0.326 20 0 BCADHO CC1(C)CN(C(=O)C[C@H]([NH3+])C2CC2)CCN1 ZINC000841858128 645230389 /nfs/dbraw/zinc/23/03/89/645230389.db2.gz ZKLABAKXNMHWEC-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO COC(=O)[C@]1(F)CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000852753175 645488377 /nfs/dbraw/zinc/48/83/77/645488377.db2.gz AIKWNVBHFUNALY-JQWIXIFHSA-N 1 3 244.310 0.573 20 0 BCADHO COC(=O)[C@@]1(F)CCN(CC[C@@H]2CC[NH2+]C2)C1 ZINC000852753174 645489050 /nfs/dbraw/zinc/48/90/50/645489050.db2.gz AIKWNVBHFUNALY-CMPLNLGQSA-N 1 3 244.310 0.573 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884271578 645872996 /nfs/dbraw/zinc/87/29/96/645872996.db2.gz HDBWQMWTVUTTBL-GDPRMGEGSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H]1C ZINC000884271745 645873371 /nfs/dbraw/zinc/87/33/71/645873371.db2.gz JXOPJEQKLKFCGY-DCAQKATOSA-N 1 3 239.363 0.441 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000884369542 645874203 /nfs/dbraw/zinc/87/42/03/645874203.db2.gz HSZIIXFUXXZUDB-GMTAPVOTSA-N 1 3 225.336 0.500 20 0 BCADHO COCC(COC)[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929637701 646216389 /nfs/dbraw/zinc/21/63/89/646216389.db2.gz MZLKBSNEGIFNSN-LLVKDONJSA-N 1 3 230.352 0.531 20 0 BCADHO COCC(COC)[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929637701 646216393 /nfs/dbraw/zinc/21/63/93/646216393.db2.gz MZLKBSNEGIFNSN-LLVKDONJSA-N 1 3 230.352 0.531 20 0 BCADHO COCCCN(C)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925520322 646313658 /nfs/dbraw/zinc/31/36/58/646313658.db2.gz XCLBGODCTKFEMN-GFCCVEGCSA-N 1 3 243.395 0.685 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925570404 646340341 /nfs/dbraw/zinc/34/03/41/646340341.db2.gz ADEVGDZCNVYIPO-OPRDCNLKSA-N 1 3 227.352 0.746 20 0 BCADHO CCc1nc(CC[NH2+][C@@H]2CCCN[C@@H]2C)no1 ZINC000925590231 646348947 /nfs/dbraw/zinc/34/89/47/646348947.db2.gz OWKMNXZMPAFHDX-NXEZZACHSA-N 1 3 238.335 0.905 20 0 BCADHO CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925622851 646370655 /nfs/dbraw/zinc/37/06/55/646370655.db2.gz NHVIDTQAYBIAKH-VWYCJHECSA-N 1 3 212.337 0.863 20 0 BCADHO Cc1nnc(CCN[C@H]2CC[NH2+]C2(C)C)[nH]1 ZINC000925630924 646375884 /nfs/dbraw/zinc/37/58/84/646375884.db2.gz FJAWBNNUYUGZJE-VIFPVBQESA-N 1 3 223.324 0.386 20 0 BCADHO C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000925642388 646385025 /nfs/dbraw/zinc/38/50/25/646385025.db2.gz GQXSNLPLYUZWMJ-SDDRHHMPSA-N 1 3 234.347 0.928 20 0 BCADHO C[C@@H]1COCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925669827 646399661 /nfs/dbraw/zinc/39/96/61/646399661.db2.gz FTZAVASFGYDNTB-GRYCIOLGSA-N 1 3 228.336 0.237 20 0 BCADHO C[C@@H](CN(C)C)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925674626 646403801 /nfs/dbraw/zinc/40/38/01/646403801.db2.gz STVWZKLQAVSXGE-ASHHDVGLSA-N 1 3 223.364 0.523 20 0 BCADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@H]1CCNCC1(F)F ZINC000925711811 646436292 /nfs/dbraw/zinc/43/62/92/646436292.db2.gz RZRCHZLEAOFVSQ-HBNTYKKESA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCNCC1(F)F ZINC000925711811 646436297 /nfs/dbraw/zinc/43/62/97/646436297.db2.gz RZRCHZLEAOFVSQ-HBNTYKKESA-N 1 3 247.333 0.961 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925721014 646446876 /nfs/dbraw/zinc/44/68/76/646446876.db2.gz WMWXJFBXIFYCCR-ZYUZMQFOSA-N 1 3 223.320 0.110 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCc1cc(N)ccn1 ZINC000925765702 646466359 /nfs/dbraw/zinc/46/63/59/646466359.db2.gz CQFCPRFOZOHIQQ-IUCAKERBSA-N 1 3 208.309 0.879 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCc1cc(N)ccn1 ZINC000925765507 646467217 /nfs/dbraw/zinc/46/72/17/646467217.db2.gz CQFCPRFOZOHIQQ-DTWKUNHWSA-N 1 3 208.309 0.879 20 0 BCADHO C[C@H](N[C@H](CO)C[C@H]1CCCO1)C1C[NH2+]C1 ZINC000925767393 646468263 /nfs/dbraw/zinc/46/82/63/646468263.db2.gz OBQFDSZQHYVMNX-ZMLRMANQSA-N 1 3 228.336 0.114 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(N)ccn1 ZINC000925768709 646468275 /nfs/dbraw/zinc/46/82/75/646468275.db2.gz WAHBOKMASWTEST-BXKDBHETSA-N 1 3 220.320 0.751 20 0 BCADHO COC[C@@H](CCC[NH3+])NCc1cc(N)ccn1 ZINC000925766338 646468368 /nfs/dbraw/zinc/46/83/68/646468368.db2.gz JCEXEIUSICSWMT-LLVKDONJSA-N 1 3 238.335 0.507 20 0 BCADHO OC[C@H](C[C@H]1CCCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000925767162 646468964 /nfs/dbraw/zinc/46/89/64/646468964.db2.gz NOTRDDVPMRGIAF-FRRDWIJNSA-N 1 3 242.363 0.648 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCc1cc(N)ccn1 ZINC000925768711 646469454 /nfs/dbraw/zinc/46/94/54/646469454.db2.gz WAHBOKMASWTEST-JOYOIKCWSA-N 1 3 220.320 0.751 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000925771204 646471564 /nfs/dbraw/zinc/47/15/64/646471564.db2.gz NAJDLRIAPUBEAI-UMNHJUIQSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@@H](CN1CCOCC1)N[C@@H](C)C1C[NH2+]C1 ZINC000925825817 646498329 /nfs/dbraw/zinc/49/83/29/646498329.db2.gz IGANQHLAUGQATE-AAEUAGOBSA-N 1 3 241.379 0.295 20 0 BCADHO C[C@@H]1CN(Cc2nccn2C)C[C@H]1CC[NH3+] ZINC000723882834 711543554 /nfs/dbraw/zinc/54/35/54/711543554.db2.gz LQYROXKPFPORDI-GHMZBOCLSA-N 1 3 222.336 0.837 20 0 BCADHO CC1(CN[C@@H]2CCC[C@@H]2C[NH3+])OCCO1 ZINC000716823382 711584703 /nfs/dbraw/zinc/58/47/03/711584703.db2.gz YSKARDCBIBZNRN-NXEZZACHSA-N 1 3 214.309 0.466 20 0 BCADHO CCOCCOCCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925875548 711761568 /nfs/dbraw/zinc/76/15/68/711761568.db2.gz UMIUSYQXXLPSFQ-VXGBXAGGSA-N 1 3 242.363 0.899 20 0 BCADHO C[C@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CCCCN1 ZINC000925875601 711761626 /nfs/dbraw/zinc/76/16/26/711761626.db2.gz VDAWFQCAPFRWDJ-YNEHKIRRSA-N 1 3 242.363 0.912 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721835326 711779446 /nfs/dbraw/zinc/77/94/46/711779446.db2.gz FTRRWRJBYMXDRQ-VXGBXAGGSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721835326 711779447 /nfs/dbraw/zinc/77/94/47/711779447.db2.gz FTRRWRJBYMXDRQ-VXGBXAGGSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721835322 711779465 /nfs/dbraw/zinc/77/94/65/711779465.db2.gz FTRRWRJBYMXDRQ-RYUDHWBXSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721835322 711779466 /nfs/dbraw/zinc/77/94/66/711779466.db2.gz FTRRWRJBYMXDRQ-RYUDHWBXSA-N 1 3 244.379 0.392 20 0 BCADHO C[C@H](CN1CC[C@@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567655 712150001 /nfs/dbraw/zinc/15/00/01/712150001.db2.gz AFPRHAMFSPIXGF-GHMZBOCLSA-N 1 3 248.392 0.338 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000709038923 712205947 /nfs/dbraw/zinc/20/59/47/712205947.db2.gz MUZRCTRPFXDUDX-MNOVXSKESA-N 1 3 216.325 0.197 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000709038923 712205950 /nfs/dbraw/zinc/20/59/50/712205950.db2.gz MUZRCTRPFXDUDX-MNOVXSKESA-N 1 3 216.325 0.197 20 0 BCADHO CN(CCCCCC[NH3+])CC(=O)NCC1CC1 ZINC000710751499 712256859 /nfs/dbraw/zinc/25/68/59/712256859.db2.gz SPSHFPWSAWDHTK-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@H](N(C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874988 712282448 /nfs/dbraw/zinc/28/24/48/712282448.db2.gz QFVUUGYHWIZUQM-RYUDHWBXSA-N 1 3 244.379 0.534 20 0 BCADHO CCCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000379340583 712375318 /nfs/dbraw/zinc/37/53/18/712375318.db2.gz LWPYUVJZCFPDQH-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CN1CCN(C(=O)C(C)(C)C[NH3+])CCC1(C)C ZINC000712670391 712440393 /nfs/dbraw/zinc/44/03/93/712440393.db2.gz JFZNISIBHPTPEO-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO CN1CC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000712554821 712445312 /nfs/dbraw/zinc/44/53/12/712445312.db2.gz CNAMHWVFSZYRQG-WVMKXHBISA-N 1 3 223.364 0.905 20 0 BCADHO C[C@@H]1CCCN(CCn2cnnn2)[C@H]1CC[NH3+] ZINC000712574853 712448214 /nfs/dbraw/zinc/44/82/14/712448214.db2.gz DNJOXHMOKWJFBS-MNOVXSKESA-N 1 3 238.339 0.122 20 0 BCADHO COCCN(C[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000716416841 712559587 /nfs/dbraw/zinc/55/95/87/712559587.db2.gz XELQHRKAZUTREO-LBPRGKRZSA-N 1 3 242.363 0.723 20 0 BCADHO CN(CC(=O)N(C)C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719255205 712801976 /nfs/dbraw/zinc/80/19/76/712801976.db2.gz RBDNPYLAIYYOAN-YOGCLGLASA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CCN(CCOCC[NH3+])CCO1 ZINC000719771402 712824184 /nfs/dbraw/zinc/82/41/84/712824184.db2.gz VVEYWZDNFGUYNL-SNVBAGLBSA-N 1 3 202.298 0.073 20 0 BCADHO CC(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030333 710716638 /nfs/dbraw/zinc/71/66/38/710716638.db2.gz YVUQKLFPAIXYRN-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030333 710716643 /nfs/dbraw/zinc/71/66/43/710716643.db2.gz YVUQKLFPAIXYRN-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039030338 710718356 /nfs/dbraw/zinc/71/83/56/710718356.db2.gz YVUQKLFPAIXYRN-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039030338 710718358 /nfs/dbraw/zinc/71/83/58/710718358.db2.gz YVUQKLFPAIXYRN-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724564296 710741719 /nfs/dbraw/zinc/74/17/19/710741719.db2.gz VJNFHTDFTRRXRT-USZNOCQGSA-N 1 3 226.320 0.071 20 0 BCADHO CC[C@@]1(NC[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125728 710977220 /nfs/dbraw/zinc/97/72/20/710977220.db2.gz ULBUEWMYUSRYEA-CHWSQXEVSA-N 1 3 242.363 0.602 20 0 BCADHO CN1CCN(C[C@H]([NH3+])CC(F)F)CC1(C)C ZINC000390624255 711129641 /nfs/dbraw/zinc/12/96/41/711129641.db2.gz GSVGQZNXUHCBBA-SECBINFHSA-N 1 3 235.322 0.995 20 0 BCADHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCOC1 ZINC000392939451 711154457 /nfs/dbraw/zinc/15/44/57/711154457.db2.gz ZFIXZIHLJUFMPM-DJQKSGLPSA-N 1 3 236.359 0.997 20 0 BCADHO CC1(O)CC[NH+](C[C@H](O)CN2CCCC2)CC1 ZINC000393895434 711178101 /nfs/dbraw/zinc/17/81/01/711178101.db2.gz IHDBXFPXRRGABL-GFCCVEGCSA-N 1 3 242.363 0.290 20 0 BCADHO C[C@H](CCCO)CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000394984677 711200135 /nfs/dbraw/zinc/20/01/35/711200135.db2.gz HRPJKDZABVABLX-BBMNEWJDSA-N 1 3 238.375 0.981 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000381258002 710612659 /nfs/dbraw/zinc/61/26/59/710612659.db2.gz QTXMCKCHXJCDBQ-MNOVXSKESA-N 1 3 230.352 0.362 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000381258002 710612660 /nfs/dbraw/zinc/61/26/60/710612660.db2.gz QTXMCKCHXJCDBQ-MNOVXSKESA-N 1 3 230.352 0.362 20 0 BCADHO COCCOCCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396675445 711362401 /nfs/dbraw/zinc/36/24/01/711362401.db2.gz SQCGAVCLFMYBJR-NWDGAFQWSA-N 1 3 230.352 0.770 20 0 BCADHO CC(C)[C@H](CO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396640779 711362889 /nfs/dbraw/zinc/36/28/89/711362889.db2.gz MQFSVGSWNSDXPU-GRYCIOLGSA-N 1 3 214.353 0.981 20 0 BCADHO COCCOCCCN[C@H]1CCC[NH2+][C@H]1C ZINC000396675446 711363500 /nfs/dbraw/zinc/36/35/00/711363500.db2.gz SQCGAVCLFMYBJR-RYUDHWBXSA-N 1 3 230.352 0.770 20 0 BCADHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(=O)N(C)C ZINC000036794205 711479371 /nfs/dbraw/zinc/47/93/71/711479371.db2.gz GGCPRNHWHZKKPG-YEJSDXFRSA-N 1 3 239.363 0.678 20 0 BCADHO C=CCNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000066245304 711503609 /nfs/dbraw/zinc/50/36/09/711503609.db2.gz ALBXKFUFFUNPGE-JTQLQIEISA-N 1 3 210.325 0.561 20 0 BCADHO CC1(CN[C@H]2CCC[C@H]2C[NH3+])OCCO1 ZINC000716823386 711584858 /nfs/dbraw/zinc/58/48/58/711584858.db2.gz YSKARDCBIBZNRN-UWVGGRQHSA-N 1 3 214.309 0.466 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724562480 711592605 /nfs/dbraw/zinc/59/26/05/711592605.db2.gz GYAKILAVYQDLAT-CYDGBPFRSA-N 1 3 240.347 0.461 20 0 BCADHO CN(C[C@@H]1C[C@H]2COC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000724564246 711592813 /nfs/dbraw/zinc/59/28/13/711592813.db2.gz RRGRMOXLNBTELK-SDDRHHMPSA-N 1 3 242.363 0.707 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724621142 711600318 /nfs/dbraw/zinc/60/03/18/711600318.db2.gz RLVOULOZRLTGRY-ROHXPCBUSA-N 1 3 240.347 0.506 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724621142 711600320 /nfs/dbraw/zinc/60/03/20/711600320.db2.gz RLVOULOZRLTGRY-ROHXPCBUSA-N 1 3 240.347 0.506 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000724874442 711622298 /nfs/dbraw/zinc/62/22/98/711622298.db2.gz VSXFRCHPFKVQAP-IRCOFANPSA-N 1 3 228.336 0.650 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCO[C@@H]2CCOC2)C1 ZINC000724920454 711628730 /nfs/dbraw/zinc/62/87/30/711628730.db2.gz GEYIRBZPLGPJTF-QJPTWQEYSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCO[C@@H]2CCOC2)C1 ZINC000724920457 711628801 /nfs/dbraw/zinc/62/88/01/711628801.db2.gz GEYIRBZPLGPJTF-SDDRHHMPSA-N 1 3 228.336 0.461 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCO[C@H]1CCOC1)C2 ZINC000724960435 711634183 /nfs/dbraw/zinc/63/41/83/711634183.db2.gz NSNVNGNAASWKOY-RNJOBUHISA-N 1 3 240.347 0.604 20 0 BCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCO[C@@H]1CCOC1)C2 ZINC000724960437 711634661 /nfs/dbraw/zinc/63/46/61/711634661.db2.gz NSNVNGNAASWKOY-ZDEQEGDKSA-N 1 3 240.347 0.604 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000911715556 711819557 /nfs/dbraw/zinc/81/95/57/711819557.db2.gz ZPMWLRKKZSXGQA-VHSXEESVSA-N 1 3 245.392 0.407 20 0 BCADHO COC(=O)N(C)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000701680437 712027944 /nfs/dbraw/zinc/02/79/44/712027944.db2.gz IVFORFAZDADODN-NXEZZACHSA-N 1 3 229.324 0.402 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000701680437 712027945 /nfs/dbraw/zinc/02/79/45/712027945.db2.gz IVFORFAZDADODN-NXEZZACHSA-N 1 3 229.324 0.402 20 0 BCADHO COC(=O)N(C)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000701925303 712033919 /nfs/dbraw/zinc/03/39/19/712033919.db2.gz SOOLNOWZAXZELI-QWRGUYRKSA-N 1 3 243.351 0.792 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000701925303 712033920 /nfs/dbraw/zinc/03/39/20/712033920.db2.gz SOOLNOWZAXZELI-QWRGUYRKSA-N 1 3 243.351 0.792 20 0 BCADHO C[N@@H+]1C[C@@H]2CN(c3ccncc3CO)C[C@]2(C)C1 ZINC000702287530 712044776 /nfs/dbraw/zinc/04/47/76/712044776.db2.gz MCCBFVXKVJTISV-OCCSQVGLSA-N 1 3 247.342 0.962 20 0 BCADHO C[N@H+]1C[C@@H]2CN(c3ccncc3CO)C[C@]2(C)C1 ZINC000702287530 712044777 /nfs/dbraw/zinc/04/47/77/712044777.db2.gz MCCBFVXKVJTISV-OCCSQVGLSA-N 1 3 247.342 0.962 20 0 BCADHO [NH3+][C@H]1C[C@@H](NCCOCCF)C12CCC2 ZINC000702654680 712058728 /nfs/dbraw/zinc/05/87/28/712058728.db2.gz QBXAQOBNAYBNSL-VHSXEESVSA-N 1 3 216.300 0.832 20 0 BCADHO CSC1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000708274568 712184959 /nfs/dbraw/zinc/18/49/59/712184959.db2.gz PJUCGZQAKNYJEI-MOENNCHZSA-N 1 3 244.404 0.927 20 0 BCADHO CN1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408059 712221499 /nfs/dbraw/zinc/22/14/99/712221499.db2.gz SAARUKWJNOCQIH-FBTJUVTCSA-N 1 3 209.337 0.563 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711312674 712293727 /nfs/dbraw/zinc/29/37/27/712293727.db2.gz YKMMPIVVQLKEGS-GHMZBOCLSA-N 1 3 239.363 0.442 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712670110 712440280 /nfs/dbraw/zinc/44/02/80/712440280.db2.gz XWGIBTDMFVIPEY-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712670110 712440281 /nfs/dbraw/zinc/44/02/81/712440281.db2.gz XWGIBTDMFVIPEY-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712670110 712440284 /nfs/dbraw/zinc/44/02/84/712440284.db2.gz XWGIBTDMFVIPEY-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712675407 712440573 /nfs/dbraw/zinc/44/05/73/712440573.db2.gz YRUSBXGKCUANAU-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712675407 712440574 /nfs/dbraw/zinc/44/05/74/712440574.db2.gz YRUSBXGKCUANAU-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712675407 712440575 /nfs/dbraw/zinc/44/05/75/712440575.db2.gz YRUSBXGKCUANAU-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715153140 712512982 /nfs/dbraw/zinc/51/29/82/712512982.db2.gz KXLASKSFOPGQEW-VGMNWLOBSA-N 1 3 247.289 0.037 20 0 BCADHO Cn1ncc(CNC2CCC([NH+](C)C)CC2)n1 ZINC000715491148 712523127 /nfs/dbraw/zinc/52/31/27/712523127.db2.gz NIAIREOEBJODRR-UHFFFAOYSA-N 1 3 237.351 0.778 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000876795671 712629711 /nfs/dbraw/zinc/62/97/11/712629711.db2.gz HLVUTAJJSNMPHM-GWOFURMSSA-N 1 3 243.326 0.143 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@@H+]1CCC[C@H]1C ZINC000380144401 712699243 /nfs/dbraw/zinc/69/92/43/712699243.db2.gz WKXYSXIHSDOCQF-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@H+]1CCC[C@H]1C ZINC000380144401 712699245 /nfs/dbraw/zinc/69/92/45/712699245.db2.gz WKXYSXIHSDOCQF-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CNC(=O)CNC1CC1)[NH+]1CCCCC1 ZINC000038029521 712800158 /nfs/dbraw/zinc/80/01/58/712800158.db2.gz PDSHLBKXZYOGLN-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO NCC(C[NH3+])NCc1cccc(Cl)n1 ZINC000380255608 712848654 /nfs/dbraw/zinc/84/86/54/712848654.db2.gz QFLPNQBCIIEDFZ-UHFFFAOYSA-N 1 3 214.700 0.111 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720887330 712874539 /nfs/dbraw/zinc/87/45/39/712874539.db2.gz IGLRSSRZABZGIK-SRVKXCTJSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720895494 712876543 /nfs/dbraw/zinc/87/65/43/712876543.db2.gz XWGJZHOOZNRBSB-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895494 712876544 /nfs/dbraw/zinc/87/65/44/712876544.db2.gz XWGJZHOOZNRBSB-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720895494 712876546 /nfs/dbraw/zinc/87/65/46/712876546.db2.gz XWGJZHOOZNRBSB-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720896769 712876879 /nfs/dbraw/zinc/87/68/79/712876879.db2.gz DNYZAMFRMPHSFK-UTUOFQBUSA-N 1 3 239.363 0.680 20 0 BCADHO O[C@H](CN[C@@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173804 712894801 /nfs/dbraw/zinc/89/48/01/712894801.db2.gz FXOVZSYWVVOUJI-VXGBXAGGSA-N 1 3 224.348 0.975 20 0 BCADHO CN(C)Cc1ccnc(N2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001164416295 718888547 /nfs/dbraw/zinc/88/85/47/718888547.db2.gz CWUYWAIETMJAKI-AAEUAGOBSA-N 1 3 232.331 0.681 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000649322813 398144631 /nfs/dbraw/zinc/14/46/31/398144631.db2.gz NXJHRDLCKMTRTP-GRYCIOLGSA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000649322841 398144707 /nfs/dbraw/zinc/14/47/07/398144707.db2.gz PKDKIBWGYOBXAY-SNVBAGLBSA-N 1 3 223.320 0.078 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000649322841 398144708 /nfs/dbraw/zinc/14/47/08/398144708.db2.gz PKDKIBWGYOBXAY-SNVBAGLBSA-N 1 3 223.320 0.078 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(N)=O)C1 ZINC000257785230 349483808 /nfs/dbraw/zinc/48/38/08/349483808.db2.gz VWAAZQCHHRAVLR-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(N)=O)C1 ZINC000257785230 349483810 /nfs/dbraw/zinc/48/38/10/349483810.db2.gz VWAAZQCHHRAVLR-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)N1CCC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000257785230 349483811 /nfs/dbraw/zinc/48/38/11/349483811.db2.gz VWAAZQCHHRAVLR-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C2CC[NH2+]CC2)C1 ZINC000649342083 398158634 /nfs/dbraw/zinc/15/86/34/398158634.db2.gz LFIUWJKKMXVDSM-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000649342022 398158803 /nfs/dbraw/zinc/15/88/03/398158803.db2.gz HUECNIDAEDKLQZ-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CC[C@@H](C)C1 ZINC000649342023 398158885 /nfs/dbraw/zinc/15/88/85/398158885.db2.gz HUNPEORFRSLLND-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CC2([NH3+])CCC2)C1 ZINC000649342061 398159072 /nfs/dbraw/zinc/15/90/72/398159072.db2.gz JQAKQPYCXOYAHM-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH2+]CC1CCN(CC(=O)N(C)C)CC1 ZINC000063166130 349501005 /nfs/dbraw/zinc/50/10/05/349501005.db2.gz OUVSEQRGSCQVLK-UHFFFAOYSA-N 1 3 213.325 0.006 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422906125 398156879 /nfs/dbraw/zinc/15/68/79/398156879.db2.gz JEQANALMMTVLKI-CHWSQXEVSA-N 1 3 243.395 0.542 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807278 398168026 /nfs/dbraw/zinc/16/80/26/398168026.db2.gz ONSMXSGONYBGCX-GFCCVEGCSA-N 1 3 229.368 0.960 20 0 BCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CNC1CC1 ZINC000258639423 349515650 /nfs/dbraw/zinc/51/56/50/349515650.db2.gz DZJDRTFAIFKOER-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CNC1CC1 ZINC000258639423 349515656 /nfs/dbraw/zinc/51/56/56/349515656.db2.gz DZJDRTFAIFKOER-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000649357778 398170538 /nfs/dbraw/zinc/17/05/38/398170538.db2.gz JEYHFSMLOLSTFS-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000649359803 398172048 /nfs/dbraw/zinc/17/20/48/398172048.db2.gz CDGMOCPXBYQQRZ-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@]1(C[NH3+])CCN(CCc2cn[nH]c2)C1 ZINC000379860333 398172787 /nfs/dbraw/zinc/17/27/87/398172787.db2.gz LRUMUKWRRZSZFR-NSHDSACASA-N 1 3 208.309 0.623 20 0 BCADHO C[C@@]1(CN)CC[N@H+](CCc2cn[nH]c2)C1 ZINC000379860333 398172788 /nfs/dbraw/zinc/17/27/88/398172788.db2.gz LRUMUKWRRZSZFR-NSHDSACASA-N 1 3 208.309 0.623 20 0 BCADHO C[C@@]1(CN)CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000379860333 398172789 /nfs/dbraw/zinc/17/27/89/398172789.db2.gz LRUMUKWRRZSZFR-NSHDSACASA-N 1 3 208.309 0.623 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348655 398162243 /nfs/dbraw/zinc/16/22/43/398162243.db2.gz PXGIMJUDZMXHSG-RPLXWKFWSA-N 1 3 249.358 0.336 20 0 BCADHO C[C@@H](NCCC[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000423174827 398164127 /nfs/dbraw/zinc/16/41/27/398164127.db2.gz CDOVWWOHNLLQPC-SNVBAGLBSA-N 1 3 246.318 0.662 20 0 BCADHO CNCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000083884187 398188175 /nfs/dbraw/zinc/18/81/75/398188175.db2.gz SBRKKMVOOYPUJI-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CC(C)(N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000576228453 365530030 /nfs/dbraw/zinc/53/00/30/365530030.db2.gz RIGSBLKCMSIPBO-UHFFFAOYSA-N 1 3 221.304 0.499 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C[C@@H](C)O)C(C)C ZINC000576237580 365533756 /nfs/dbraw/zinc/53/37/56/365533756.db2.gz CJVPJQNPJKQXPZ-VXGBXAGGSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C[C@@H](C)O)C(C)C ZINC000576237580 365533765 /nfs/dbraw/zinc/53/37/65/365533765.db2.gz CJVPJQNPJKQXPZ-VXGBXAGGSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000446404486 398206095 /nfs/dbraw/zinc/20/60/95/398206095.db2.gz DXLBAGXHOGIBNY-IJLUTSLNSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000576281153 365549329 /nfs/dbraw/zinc/54/93/29/365549329.db2.gz VTYPWSVMABGRHO-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000576281153 365549335 /nfs/dbraw/zinc/54/93/35/365549335.db2.gz VTYPWSVMABGRHO-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000576281154 365549724 /nfs/dbraw/zinc/54/97/24/365549724.db2.gz VTYPWSVMABGRHO-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000576281154 365549730 /nfs/dbraw/zinc/54/97/30/365549730.db2.gz VTYPWSVMABGRHO-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO COc1ccc([C@H]2CNCCN2CC[NH3+])cc1 ZINC000616635528 398208297 /nfs/dbraw/zinc/20/82/97/398208297.db2.gz BQFNFOHCRALEJW-CYBMUJFWSA-N 1 3 235.331 0.600 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000576291660 365554889 /nfs/dbraw/zinc/55/48/89/365554889.db2.gz OQNWUJBSVUZESM-KXNHARMFSA-N 1 3 239.363 0.761 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000576291660 365554890 /nfs/dbraw/zinc/55/48/90/365554890.db2.gz OQNWUJBSVUZESM-KXNHARMFSA-N 1 3 239.363 0.761 20 0 BCADHO N[C@H](CNC(=O)C[NH2+]CC1CC1)c1ccccc1 ZINC000262596851 398216301 /nfs/dbraw/zinc/21/63/01/398216301.db2.gz VMKWFJLWXWEUOR-CYBMUJFWSA-N 1 3 247.342 0.802 20 0 BCADHO c1cc(N2CCN(C[C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000649414825 398218400 /nfs/dbraw/zinc/21/84/00/398218400.db2.gz ZQFMWCBWUWBTMF-ZDUSSCGKSA-N 1 3 246.358 0.813 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])CCN1C ZINC000576361079 365578006 /nfs/dbraw/zinc/57/80/06/365578006.db2.gz MMLJVUSBFHDLNO-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC(C[NH3+])CC1 ZINC000576397749 365585353 /nfs/dbraw/zinc/58/53/53/365585353.db2.gz KPIWUYZDUHVADU-GFCCVEGCSA-N 1 3 227.352 0.701 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCN1CCCC1=O ZINC000430576306 398229036 /nfs/dbraw/zinc/22/90/36/398229036.db2.gz BECCYOZGEFQVRC-GFCCVEGCSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418405270 192033487 /nfs/dbraw/zinc/03/34/87/192033487.db2.gz KWENVCSMPPGBJN-VWYCJHECSA-N 1 3 242.367 0.362 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)CCN1C ZINC000132969581 398231675 /nfs/dbraw/zinc/23/16/75/398231675.db2.gz CGQGCZVXCRJMTL-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC000629965304 361812103 /nfs/dbraw/zinc/81/21/03/361812103.db2.gz SFYMLOHLSGWSKF-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+](CCO)C[C@@H](O)CN(C)C(C)C ZINC000379875685 398239419 /nfs/dbraw/zinc/23/94/19/398239419.db2.gz SPLBBGLSBXRDMV-NSHDSACASA-N 1 3 218.341 0.002 20 0 BCADHO CC[N@@H+](CCO)C[C@@H](O)CN(C)C(C)C ZINC000379875685 398239421 /nfs/dbraw/zinc/23/94/21/398239421.db2.gz SPLBBGLSBXRDMV-NSHDSACASA-N 1 3 218.341 0.002 20 0 BCADHO C[C@@H]1CCN(CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000381253838 398244407 /nfs/dbraw/zinc/24/44/07/398244407.db2.gz PJSYVQFAKDPKIB-PWSUYJOCSA-N 1 3 222.336 0.869 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H](N)C1CCC1 ZINC000576507188 365611692 /nfs/dbraw/zinc/61/16/92/365611692.db2.gz OSLHDUMGADBZKY-LLVKDONJSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H](C(=O)NC1CCN(C2CC2)CC1)[C@H](C)[NH3+] ZINC000134103063 398240930 /nfs/dbraw/zinc/24/09/30/398240930.db2.gz QYEVCICQNHDDPN-ZJUUUORDSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CN1 ZINC000576581353 365630633 /nfs/dbraw/zinc/63/06/33/365630633.db2.gz FFLKASRVZNITGV-USZNOCQGSA-N 1 3 239.363 0.583 20 0 BCADHO OCC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000168835595 538945444 /nfs/dbraw/zinc/94/54/44/538945444.db2.gz JDWOZFITACMYCV-NEPJUHHUSA-N 1 3 224.348 0.975 20 0 BCADHO OCC1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000168835595 538945446 /nfs/dbraw/zinc/94/54/46/538945446.db2.gz JDWOZFITACMYCV-NEPJUHHUSA-N 1 3 224.348 0.975 20 0 BCADHO CN(C(=O)CC(C)(C)[NH3+])[C@H]1CN2CCC1CC2 ZINC000382415683 398256397 /nfs/dbraw/zinc/25/63/97/398256397.db2.gz MAAXPMHAVYYAGR-NSHDSACASA-N 1 3 239.363 0.666 20 0 BCADHO C([C@H]1CC[NH2+]C1)N1CC[C@@]2(CCOC2)C1 ZINC000381410651 398256435 /nfs/dbraw/zinc/25/64/35/398256435.db2.gz UIPJFKRIAUBZTC-NWDGAFQWSA-N 1 3 210.321 0.708 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000381462475 398258743 /nfs/dbraw/zinc/25/87/43/398258743.db2.gz LMYAIIPLTZEFNI-OPRDCNLKSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H]1NCCCC1(C)C ZINC000417781390 398267778 /nfs/dbraw/zinc/26/77/78/398267778.db2.gz JPLMJGNQIVDHLY-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)N(C)CC[NH3+] ZINC000669530041 488177996 /nfs/dbraw/zinc/17/79/96/488177996.db2.gz OMOYIKHENIQDCC-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)CC[NH3+] ZINC000669530042 488178044 /nfs/dbraw/zinc/17/80/44/488178044.db2.gz OMOYIKHENIQDCC-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO C[C@H](CN)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733049 398270788 /nfs/dbraw/zinc/27/07/88/398270788.db2.gz NTSRJYXNEXFIHM-SECBINFHSA-N 1 3 209.293 0.164 20 0 BCADHO C[C@H](CN)[N@@H+](C)Cc1ccn(C)c(=O)c1 ZINC000381733049 398270794 /nfs/dbraw/zinc/27/07/94/398270794.db2.gz NTSRJYXNEXFIHM-SECBINFHSA-N 1 3 209.293 0.164 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000381644777 398268090 /nfs/dbraw/zinc/26/80/90/398268090.db2.gz BHIVWSACXGQPRL-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NC(C)(C)CCC[NH3+] ZINC000378864728 346848846 /nfs/dbraw/zinc/84/88/46/346848846.db2.gz XZVXOQXBZKGSHQ-QMMMGPOBSA-N 1 3 201.314 0.357 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550993 349593062 /nfs/dbraw/zinc/59/30/62/349593062.db2.gz ATEROQYYDIYAPM-BBBLOLIVSA-N 1 3 245.392 0.324 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550995 349593176 /nfs/dbraw/zinc/59/31/76/349593176.db2.gz ATEROQYYDIYAPM-UTLUCORTSA-N 1 3 245.392 0.324 20 0 BCADHO NC1(C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000309587547 342716338 /nfs/dbraw/zinc/71/63/38/342716338.db2.gz WPRLBHQBUYQRHZ-SECBINFHSA-N 1 3 211.309 0.065 20 0 BCADHO C[C@H]1CN(C(=O)NCC[NH3+])CCN(C2CC2)C1 ZINC000335610448 136236563 /nfs/dbraw/zinc/23/65/63/136236563.db2.gz XMHKFIXKTRJXRL-SNVBAGLBSA-N 1 3 240.351 0.071 20 0 BCADHO C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC000630002721 361890482 /nfs/dbraw/zinc/89/04/82/361890482.db2.gz HAKPBYBXNBAFNG-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464109 398288824 /nfs/dbraw/zinc/28/88/24/398288824.db2.gz HSZHRBRNAHHVIQ-GXSJLCMTSA-N 1 3 225.336 0.243 20 0 BCADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN2CCC1CC2 ZINC000335464331 398288997 /nfs/dbraw/zinc/28/89/97/398288997.db2.gz PQKLULLWKZDSDP-GXTWGEPZSA-N 1 3 249.358 0.293 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000335628242 136241205 /nfs/dbraw/zinc/24/12/05/136241205.db2.gz ZEJFGJNAILEDNU-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417822535 398294751 /nfs/dbraw/zinc/29/47/51/398294751.db2.gz ITBUWXZUESZHGX-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023807 342855221 /nfs/dbraw/zinc/85/52/21/342855221.db2.gz SZPAPAYGOCOIHD-KXUCPTDWSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023807 342855222 /nfs/dbraw/zinc/85/52/22/342855222.db2.gz SZPAPAYGOCOIHD-KXUCPTDWSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000167340185 136245599 /nfs/dbraw/zinc/24/55/99/136245599.db2.gz BHULJQABRSTKKV-SCZZXKLOSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000167340185 136245600 /nfs/dbraw/zinc/24/56/00/136245600.db2.gz BHULJQABRSTKKV-SCZZXKLOSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000167334675 136245797 /nfs/dbraw/zinc/24/57/97/136245797.db2.gz DTEFNRJWMPPQMY-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH+]1CCC(N(C)C(=O)CNC)CC1 ZINC000036135381 342893080 /nfs/dbraw/zinc/89/30/80/342893080.db2.gz NONUQNUDWZVPPA-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CCN1CCC(N(C)C(=O)C[NH2+]C)CC1 ZINC000036135381 342893081 /nfs/dbraw/zinc/89/30/81/342893081.db2.gz NONUQNUDWZVPPA-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO C(C[NH+]1CCCCCC1)N1CCNCC1 ZINC000020179783 398315608 /nfs/dbraw/zinc/31/56/08/398315608.db2.gz OZAUQQGGTUAPGG-UHFFFAOYSA-N 1 3 211.353 0.768 20 0 BCADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418573051 192052120 /nfs/dbraw/zinc/05/21/20/192052120.db2.gz UALLTRSSVMGRQW-WDEREUQCSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999080 342915135 /nfs/dbraw/zinc/91/51/35/342915135.db2.gz PIRKIVSQAIRCTO-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042447 342916367 /nfs/dbraw/zinc/91/63/67/342916367.db2.gz HBDQHOXCIUHBQD-QMMMGPOBSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494649340 529417874 /nfs/dbraw/zinc/41/78/74/529417874.db2.gz MWSUXVFTWSHXQA-MXWKQRLJSA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1CO ZINC000351650489 136249450 /nfs/dbraw/zinc/24/94/50/136249450.db2.gz OUZKHVKZMJSGSF-NQBHXWOUSA-N 1 3 242.363 0.002 20 0 BCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1CO ZINC000351650489 136249451 /nfs/dbraw/zinc/24/94/51/136249451.db2.gz OUZKHVKZMJSGSF-NQBHXWOUSA-N 1 3 242.363 0.002 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418602711 192054504 /nfs/dbraw/zinc/05/45/04/192054504.db2.gz NUXPSJBYMLRSAL-VWYCJHECSA-N 1 3 242.367 0.376 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418602666 192054650 /nfs/dbraw/zinc/05/46/50/192054650.db2.gz NNPPBFGJQYYYHT-OUAUKWLOSA-N 1 3 242.367 0.376 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCC[NH+](C)C ZINC000011960923 346885231 /nfs/dbraw/zinc/88/52/31/346885231.db2.gz IRBLKUBDMHSQRS-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CCCNCC1 ZINC000037481445 342937996 /nfs/dbraw/zinc/93/79/96/342937996.db2.gz ODDDJQRLEZAEBL-NSHDSACASA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000037825143 398334754 /nfs/dbraw/zinc/33/47/54/398334754.db2.gz XBDYTIIJEZPVRQ-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CCCC1)[NH+](C)C ZINC000038089348 398335913 /nfs/dbraw/zinc/33/59/13/398335913.db2.gz AMZJDGYNTCWKEY-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)NC(C)(C)CN(C)C ZINC000418607474 192056030 /nfs/dbraw/zinc/05/60/30/192056030.db2.gz WXPARZNMXVDQOA-SNVBAGLBSA-N 1 3 244.383 0.624 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000156911417 398339744 /nfs/dbraw/zinc/33/97/44/398339744.db2.gz WAYFBENRTKQFMQ-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000335596511 398341753 /nfs/dbraw/zinc/34/17/53/398341753.db2.gz UUKYZDGMEKAALR-LLVKDONJSA-N 1 3 244.404 0.928 20 0 BCADHO CSC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000580314450 346896806 /nfs/dbraw/zinc/89/68/06/346896806.db2.gz SQMSBNYJMSNCSP-JQWIXIFHSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580314450 346896807 /nfs/dbraw/zinc/89/68/07/346896807.db2.gz SQMSBNYJMSNCSP-JQWIXIFHSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000580314450 346896809 /nfs/dbraw/zinc/89/68/09/346896809.db2.gz SQMSBNYJMSNCSP-JQWIXIFHSA-N 1 3 244.404 0.784 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000580312933 346896857 /nfs/dbraw/zinc/89/68/57/346896857.db2.gz PBDNUUOFFOUJLK-ZDCRXTMVSA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+]CCOCCN1CCC[C@@H](n2cccn2)C1 ZINC000357069904 187213937 /nfs/dbraw/zinc/21/39/37/187213937.db2.gz HXYSKWVNQITLBO-GFCCVEGCSA-N 1 3 238.335 0.495 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357319924 187214144 /nfs/dbraw/zinc/21/41/44/187214144.db2.gz YJUCRSIBSRLXBD-NQBHXWOUSA-N 1 3 241.379 0.829 20 0 BCADHO CC/C=C\C[NH2+]C[C@H](O)CN1CCCC1 ZINC000384730101 344022474 /nfs/dbraw/zinc/02/24/74/344022474.db2.gz AZPCGOIUKXEILD-MVZIDQBPSA-N 1 3 212.337 0.999 20 0 BCADHO CN(C)CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418625608 192057623 /nfs/dbraw/zinc/05/76/23/192057623.db2.gz QRQFRUBEGGYXKW-NSHDSACASA-N 1 3 242.367 0.365 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368687389 187220649 /nfs/dbraw/zinc/22/06/49/187220649.db2.gz KLTBYFYAYIRFAK-OUAUKWLOSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000376384113 187225563 /nfs/dbraw/zinc/22/55/63/187225563.db2.gz IUIVTQMBUFMHDV-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089246 343059076 /nfs/dbraw/zinc/05/90/76/343059076.db2.gz WPATXAAHLJOCHQ-IUCAKERBSA-N 1 3 201.314 0.036 20 0 BCADHO CN(CCC[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000576837847 365701032 /nfs/dbraw/zinc/70/10/32/365701032.db2.gz FQJQLBIZORJPEC-SNVBAGLBSA-N 1 3 240.351 0.213 20 0 BCADHO CC[C@@](C)(N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584880933 343081746 /nfs/dbraw/zinc/08/17/46/343081746.db2.gz BEKQRQFSQISPAF-WCBMZHEXSA-N 1 3 209.297 0.396 20 0 BCADHO CC[C@H](C(N)=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000082475127 362024673 /nfs/dbraw/zinc/02/46/73/362024673.db2.gz ITMADUDRDDMTJN-PSASIEDQSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000082475126 362024805 /nfs/dbraw/zinc/02/48/05/362024805.db2.gz ITMADUDRDDMTJN-SCZZXKLOSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC[NH2+]C2CC2)CCN1 ZINC000655457348 488198436 /nfs/dbraw/zinc/19/84/36/488198436.db2.gz RNIMAMJTYCSSCF-GFCCVEGCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236793442 343111197 /nfs/dbraw/zinc/11/11/97/343111197.db2.gz GNBLAWMPSWBIBJ-SECBINFHSA-N 1 3 213.325 0.230 20 0 BCADHO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000237553291 343147778 /nfs/dbraw/zinc/14/77/78/343147778.db2.gz WFNAPAKLWLVHNH-UHTWSYAYSA-N 1 3 247.342 0.882 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000237295194 343132040 /nfs/dbraw/zinc/13/20/40/343132040.db2.gz YGURNYYKGSRVQT-ZJUUUORDSA-N 1 3 245.392 0.053 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000092956346 343150192 /nfs/dbraw/zinc/15/01/92/343150192.db2.gz KGDFTQXJXFQISV-SDDRHHMPSA-N 1 3 239.363 0.442 20 0 BCADHO CC[NH+]1CCC(CNCc2cnnn2C)CC1 ZINC000121997744 343157572 /nfs/dbraw/zinc/15/75/72/343157572.db2.gz ROVOJOYKMYXWEM-UHFFFAOYSA-N 1 3 237.351 0.637 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000237461876 136272258 /nfs/dbraw/zinc/27/22/58/136272258.db2.gz RPGYPQZQDMYSTG-WDEREUQCSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)N(C)C ZINC000126877458 343171155 /nfs/dbraw/zinc/17/11/55/343171155.db2.gz ZQGMBXAAJMBCCZ-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)N(C)C ZINC000126877458 343171156 /nfs/dbraw/zinc/17/11/56/343171156.db2.gz ZQGMBXAAJMBCCZ-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CCN1C ZINC000157877107 343200063 /nfs/dbraw/zinc/20/00/63/343200063.db2.gz MVLGVVHFTDQNDO-PWSUYJOCSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]2)CCN1C ZINC000157891027 343200411 /nfs/dbraw/zinc/20/04/11/343200411.db2.gz ZZSZCJGJSKXNMZ-MDZLAQPJSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@@H](C)N1CCCC1 ZINC000161051226 343204163 /nfs/dbraw/zinc/20/41/63/343204163.db2.gz KOPSKGWPDGQQHV-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000161052952 343204218 /nfs/dbraw/zinc/20/42/18/343204218.db2.gz QNJKTHDAKKIXOG-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CC(C)C ZINC000087471658 136281575 /nfs/dbraw/zinc/28/15/75/136281575.db2.gz UWDVFROQIOVKPG-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO Cn1nccc1CCN[C@@](C)(C[NH3+])C1CC1 ZINC000634687322 343240743 /nfs/dbraw/zinc/24/07/43/343240743.db2.gz GWHYBFSKVJIEJY-LBPRGKRZSA-N 1 3 222.336 0.680 20 0 BCADHO C([C@@H]1CCCNC1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688423 343246617 /nfs/dbraw/zinc/24/66/17/343246617.db2.gz RTDBMKXZFJLOEZ-UTUOFQBUSA-N 1 3 210.321 0.564 20 0 BCADHO C([C@@H]1CCCNC1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688423 343246618 /nfs/dbraw/zinc/24/66/18/343246618.db2.gz RTDBMKXZFJLOEZ-UTUOFQBUSA-N 1 3 210.321 0.564 20 0 BCADHO Cc1nccn1CCC[N@@H+]1CCN[C@H](C)C1 ZINC000348757890 136297588 /nfs/dbraw/zinc/29/75/88/136297588.db2.gz YZEYPCZWEIAYPV-LLVKDONJSA-N 1 3 222.336 0.875 20 0 BCADHO Cc1nccn1CCC[N@H+]1CCN[C@H](C)C1 ZINC000348757890 136297589 /nfs/dbraw/zinc/29/75/89/136297589.db2.gz YZEYPCZWEIAYPV-LLVKDONJSA-N 1 3 222.336 0.875 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)N(C)C ZINC000069839630 343292857 /nfs/dbraw/zinc/29/28/57/343292857.db2.gz FVVCLOQAAGLVKV-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000156742179 133472408 /nfs/dbraw/zinc/47/24/08/133472408.db2.gz IVOOXPXOLGONRH-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000398140293 488212362 /nfs/dbraw/zinc/21/23/62/488212362.db2.gz ZHDXPDMWAOMZIA-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335627408 136299597 /nfs/dbraw/zinc/29/95/97/136299597.db2.gz QXKPWKFHYBEUBX-SECBINFHSA-N 1 3 213.325 0.180 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000335656774 136306361 /nfs/dbraw/zinc/30/63/61/136306361.db2.gz PEXBYUWMDWTWQT-DTWKUNHWSA-N 1 3 211.309 0.254 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000335657947 136306973 /nfs/dbraw/zinc/30/69/73/136306973.db2.gz POSDGHNFPZHVBT-AOOOYVTPSA-N 1 3 223.320 0.030 20 0 BCADHO NC1(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000335662877 136315493 /nfs/dbraw/zinc/31/54/93/136315493.db2.gz PMFPXDQLUQWAJY-MNOVXSKESA-N 1 3 237.347 0.326 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCCC1 ZINC000335662318 136315668 /nfs/dbraw/zinc/31/56/68/136315668.db2.gz IWWMQGLFPGARLX-VHSXEESVSA-N 1 3 225.336 0.502 20 0 BCADHO NCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907639 343509143 /nfs/dbraw/zinc/50/91/43/343509143.db2.gz AMHKZPRXLPKLLX-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CCCN1CCCN(C(=O)C[NH2+]C)CC1 ZINC000083961273 343511637 /nfs/dbraw/zinc/51/16/37/343511637.db2.gz IRKFENKZKHFNDK-UHFFFAOYSA-N 1 3 213.325 0.150 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000309252479 167412588 /nfs/dbraw/zinc/41/25/88/167412588.db2.gz FJSZASAGEGUWSQ-KOLCDFICSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000577047251 365788833 /nfs/dbraw/zinc/78/88/33/365788833.db2.gz MZCVDMQWJTUQIA-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575493 187269873 /nfs/dbraw/zinc/26/98/73/187269873.db2.gz NQRPKESCGQSVMN-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)CNC1CC1 ZINC000153924473 343706229 /nfs/dbraw/zinc/70/62/29/343706229.db2.gz WQDGIVWDGYJLKY-GFCCVEGCSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418731263 192065421 /nfs/dbraw/zinc/06/54/21/192065421.db2.gz PTDMTUFHDTXSRB-UTLUCORTSA-N 1 3 228.340 0.116 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261972886 349856964 /nfs/dbraw/zinc/85/69/64/349856964.db2.gz UOVRGKJYXDANQZ-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CN(C)CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418728985 192065438 /nfs/dbraw/zinc/06/54/38/192065438.db2.gz RJCLDUNUHTUXIP-QWRGUYRKSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[NH2+]1 ZINC000564450578 343938910 /nfs/dbraw/zinc/93/89/10/343938910.db2.gz WDLMBCSYKVVVPE-BDAKNGLRSA-N 1 3 211.309 0.125 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000037611996 488247725 /nfs/dbraw/zinc/24/77/25/488247725.db2.gz IWIZNMQYVKAHBV-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[C@@H](CCO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000634724048 343920744 /nfs/dbraw/zinc/92/07/44/343920744.db2.gz ITWNWEHSDIKFLJ-QWHCGFSZSA-N 1 3 244.379 0.584 20 0 BCADHO CC(C)[C@H](N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233792 362286276 /nfs/dbraw/zinc/28/62/76/362286276.db2.gz YWIXIVYETUDOFX-LBPRGKRZSA-N 1 3 237.351 0.934 20 0 BCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CNC1CC1)C2 ZINC000634744423 344165357 /nfs/dbraw/zinc/16/53/57/344165357.db2.gz YCDGQLPOMWEEQT-BETUJISGSA-N 1 3 237.347 0.196 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000130408084 344136640 /nfs/dbraw/zinc/13/66/40/344136640.db2.gz WLMSIQPVHCKTBH-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)N(C)C ZINC000126878092 344186297 /nfs/dbraw/zinc/18/62/97/344186297.db2.gz ZQGMBXAAJMBCCZ-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)N(C)C ZINC000126878092 344186298 /nfs/dbraw/zinc/18/62/98/344186298.db2.gz ZQGMBXAAJMBCCZ-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)C[C@@H](CNC(=O)[C@H](C)N)[NH+](C)C ZINC000040831279 187289901 /nfs/dbraw/zinc/28/99/01/187289901.db2.gz MRYHWMRBNKOEGZ-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000580324174 347039378 /nfs/dbraw/zinc/03/93/78/347039378.db2.gz FQTUHDUKTCDTCI-VIFPVBQESA-N 1 3 233.315 0.757 20 0 BCADHO CC[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000132008559 344249835 /nfs/dbraw/zinc/24/98/35/344249835.db2.gz XAPHNVWAYSPLNZ-VHSXEESVSA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634761965 344255389 /nfs/dbraw/zinc/25/53/89/344255389.db2.gz MYXAIHVBAJISEO-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765096 344276124 /nfs/dbraw/zinc/27/61/24/344276124.db2.gz JZPSPVYDRYAXFH-GHMZBOCLSA-N 1 3 241.379 0.879 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765099 344276261 /nfs/dbraw/zinc/27/62/61/344276261.db2.gz JZPSPVYDRYAXFH-WDEREUQCSA-N 1 3 241.379 0.879 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765097 344276270 /nfs/dbraw/zinc/27/62/70/344276270.db2.gz JZPSPVYDRYAXFH-MNOVXSKESA-N 1 3 241.379 0.879 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764385 344276702 /nfs/dbraw/zinc/27/67/02/344276702.db2.gz RRZWHDWBJRBVPR-UWVGGRQHSA-N 1 3 227.352 0.489 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210370 344311863 /nfs/dbraw/zinc/31/18/63/344311863.db2.gz GMVHTLIHGMCHSR-OLZOCXBDSA-N 1 3 241.379 0.568 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCCN2CCOCC2)C1 ZINC000093210370 344311865 /nfs/dbraw/zinc/31/18/65/344311865.db2.gz GMVHTLIHGMCHSR-OLZOCXBDSA-N 1 3 241.379 0.568 20 0 BCADHO C[C@H](CN1CCCC1=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093215013 344312414 /nfs/dbraw/zinc/31/24/14/344312414.db2.gz UOGJVLGEQJWQCA-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000093215013 344312418 /nfs/dbraw/zinc/31/24/18/344312418.db2.gz UOGJVLGEQJWQCA-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)[C@@H]1C ZINC000600715026 344365655 /nfs/dbraw/zinc/36/56/55/344365655.db2.gz XDIDNJGTCLNWHS-WRWGMCAJSA-N 1 3 240.347 0.916 20 0 BCADHO CSCC[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000131816912 344334845 /nfs/dbraw/zinc/33/48/45/344334845.db2.gz PDHUKMGMZRCBOD-SNVBAGLBSA-N 1 3 247.408 0.571 20 0 BCADHO COC(=O)CC1(CN(C)CCOCC[NH3+])CC1 ZINC000600740045 344366623 /nfs/dbraw/zinc/36/66/23/344366623.db2.gz GPMFMJHWNKAFDB-UHFFFAOYSA-N 1 3 244.335 0.237 20 0 BCADHO COC(=O)CCCCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000600706304 344360330 /nfs/dbraw/zinc/36/03/30/344360330.db2.gz UEZKHXYKBLCNQS-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000584290777 344425382 /nfs/dbraw/zinc/42/53/82/344425382.db2.gz GAUOPNZXXOVGCP-LBPRGKRZSA-N 1 3 233.315 0.757 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000584290776 344425558 /nfs/dbraw/zinc/42/55/58/344425558.db2.gz GAUOPNZXXOVGCP-GFCCVEGCSA-N 1 3 233.315 0.757 20 0 BCADHO CCC[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679611 344439736 /nfs/dbraw/zinc/43/97/36/344439736.db2.gz LPNYPHSUEITYNT-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)N ZINC000041680093 344439783 /nfs/dbraw/zinc/43/97/83/344439783.db2.gz ULNXCUDPGFQXMN-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354461 187291517 /nfs/dbraw/zinc/29/15/17/187291517.db2.gz IDIXRXPZQOTWOK-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO C[C@H](O)CC[NH+]1CCC(N(C)C)CC1 ZINC000044133119 344536036 /nfs/dbraw/zinc/53/60/36/344536036.db2.gz FMQMZVCZVYMUIE-JTQLQIEISA-N 1 3 200.326 0.783 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)N(C)C ZINC000045108030 344559070 /nfs/dbraw/zinc/55/90/70/344559070.db2.gz RYAYFKUXFLWRLW-UWVGGRQHSA-N 1 3 215.341 0.284 20 0 BCADHO CCN(CC)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000068079606 133524515 /nfs/dbraw/zinc/52/45/15/133524515.db2.gz SWYVKVOCDDRMEW-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000309834010 259377954 /nfs/dbraw/zinc/37/79/54/259377954.db2.gz ZLNREVROHMXUPI-ZYUZMQFOSA-N 1 3 213.325 0.226 20 0 BCADHO COC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152479944 344577426 /nfs/dbraw/zinc/57/74/26/344577426.db2.gz CXLDDGXHCIOEDH-LLVKDONJSA-N 1 3 228.336 0.823 20 0 BCADHO COC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152479944 344577428 /nfs/dbraw/zinc/57/74/28/344577428.db2.gz CXLDDGXHCIOEDH-LLVKDONJSA-N 1 3 228.336 0.823 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CNC1CC1 ZINC000309426961 347059656 /nfs/dbraw/zinc/05/96/56/347059656.db2.gz KLGBQOKYNLBZCJ-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO COC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000050067803 344719079 /nfs/dbraw/zinc/71/90/79/344719079.db2.gz OHCFAUFIRIAJHX-UHFFFAOYSA-N 1 3 228.336 0.967 20 0 BCADHO COC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000050067803 344719082 /nfs/dbraw/zinc/71/90/82/344719082.db2.gz OHCFAUFIRIAJHX-UHFFFAOYSA-N 1 3 228.336 0.967 20 0 BCADHO C[C@H](CNC(=O)NCCN(C)C)[N@H+](C)C1CC1 ZINC000133622134 344770707 /nfs/dbraw/zinc/77/07/07/344770707.db2.gz VVAXUYHAKMTTDK-SNVBAGLBSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H](CNC(=O)NCCN(C)C)[N@@H+](C)C1CC1 ZINC000133622134 344770710 /nfs/dbraw/zinc/77/07/10/344770710.db2.gz VVAXUYHAKMTTDK-SNVBAGLBSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000370798439 187292533 /nfs/dbraw/zinc/29/25/33/187292533.db2.gz NVCMBTQMNIVZHF-MWLCHTKSSA-N 1 3 231.315 0.178 20 0 BCADHO CCN(CC)CCC[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248980768 537869571 /nfs/dbraw/zinc/86/95/71/537869571.db2.gz FPABELPOAZCBPY-OLZOCXBDSA-N 1 3 246.395 0.782 20 0 BCADHO CCN(CC)CCC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248980768 537869577 /nfs/dbraw/zinc/86/95/77/537869577.db2.gz FPABELPOAZCBPY-OLZOCXBDSA-N 1 3 246.395 0.782 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583390909 344876155 /nfs/dbraw/zinc/87/61/55/344876155.db2.gz FEHCTBZIIMCCFR-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(C)(C)N ZINC000237079348 187294358 /nfs/dbraw/zinc/29/43/58/187294358.db2.gz VYTJXGFPPFXUSD-SNVBAGLBSA-N 1 3 227.352 0.524 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)N ZINC000237079348 187294359 /nfs/dbraw/zinc/29/43/59/187294359.db2.gz VYTJXGFPPFXUSD-SNVBAGLBSA-N 1 3 227.352 0.524 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000582127378 344898025 /nfs/dbraw/zinc/89/80/25/344898025.db2.gz SZSFOLLGMNJICO-UTUOFQBUSA-N 1 3 230.352 0.314 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000582127378 344898027 /nfs/dbraw/zinc/89/80/27/344898027.db2.gz SZSFOLLGMNJICO-UTUOFQBUSA-N 1 3 230.352 0.314 20 0 BCADHO CCOC[C@@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000583435725 344953555 /nfs/dbraw/zinc/95/35/55/344953555.db2.gz BANBDQXLCUTXEV-RYUDHWBXSA-N 1 3 246.395 0.950 20 0 BCADHO COC[C@H](CO)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000234820340 537877063 /nfs/dbraw/zinc/87/70/63/537877063.db2.gz OTSAFYPQXCVRRA-JQWIXIFHSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H](C(=O)N1CCN2CCC1CC2)C1C[NH2+]C1 ZINC000574809703 345025018 /nfs/dbraw/zinc/02/50/18/345025018.db2.gz XNZUGBKMWGXLCC-SNVBAGLBSA-N 1 3 237.347 0.149 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000154396113 345030939 /nfs/dbraw/zinc/03/09/39/345030939.db2.gz XDIHQQKFEGDROS-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000155244370 345074758 /nfs/dbraw/zinc/07/47/58/345074758.db2.gz WRPIPQOIKSHWJE-BJDJZHNGSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000155428577 345081210 /nfs/dbraw/zinc/08/12/10/345081210.db2.gz OFIMMJQPHCFYLI-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000155428577 345081211 /nfs/dbraw/zinc/08/12/11/345081211.db2.gz OFIMMJQPHCFYLI-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000044428435 345061875 /nfs/dbraw/zinc/06/18/75/345061875.db2.gz PKPAKTWPIZXGLS-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000044428437 345061979 /nfs/dbraw/zinc/06/19/79/345061979.db2.gz PKPAKTWPIZXGLS-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](COC)C1 ZINC000310450672 259382632 /nfs/dbraw/zinc/38/26/32/259382632.db2.gz XZFLKYSYKCIEOX-QWHCGFSZSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](COC)C1 ZINC000310450672 259382633 /nfs/dbraw/zinc/38/26/33/259382633.db2.gz XZFLKYSYKCIEOX-QWHCGFSZSA-N 1 3 244.379 0.657 20 0 BCADHO CCC(CC)(CO)[NH2+]CC12CC(C1)CN2 ZINC000634993585 345190280 /nfs/dbraw/zinc/19/02/80/345190280.db2.gz YVWTVCJMDMTHJL-UHFFFAOYSA-N 1 3 212.337 0.879 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634952047 345128326 /nfs/dbraw/zinc/12/83/26/345128326.db2.gz NUYZUDNNGVTQBL-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)NCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000566507883 345130762 /nfs/dbraw/zinc/13/07/62/345130762.db2.gz MSVNPEIQTMWAID-JTQLQIEISA-N 1 3 213.325 0.100 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H]1C[C@H](OC)C1(C)C ZINC000310483932 259383215 /nfs/dbraw/zinc/38/32/15/259383215.db2.gz DNZRNGMKVKKVCT-WOPDTQHZSA-N 1 3 244.379 0.702 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@H](OC)C1(C)C ZINC000310483932 259383216 /nfs/dbraw/zinc/38/32/16/259383216.db2.gz DNZRNGMKVKKVCT-WOPDTQHZSA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)CN1C ZINC000634994213 345192581 /nfs/dbraw/zinc/19/25/81/345192581.db2.gz VWOFQFXFBXWPOL-IALDZJHCSA-N 1 3 223.364 0.763 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634998411 345198045 /nfs/dbraw/zinc/19/80/45/345198045.db2.gz FKUJQKFNCOZWIW-GMTAPVOTSA-N 1 3 200.326 0.796 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000634998411 345198047 /nfs/dbraw/zinc/19/80/47/345198047.db2.gz FKUJQKFNCOZWIW-GMTAPVOTSA-N 1 3 200.326 0.796 20 0 BCADHO C[C@@H](CC(N)=O)NCc1cccc2c1CC[NH2+]C2 ZINC000635010501 345213046 /nfs/dbraw/zinc/21/30/46/345213046.db2.gz MSMAMCPWNVVGGA-JTQLQIEISA-N 1 3 247.342 0.686 20 0 BCADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@@H](C)O[C@H]1C ZINC000635008086 345215698 /nfs/dbraw/zinc/21/56/98/345215698.db2.gz ZHSRGJVCSYDDGE-LYUGOTMTSA-N 1 3 242.363 0.894 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000130529656 345277628 /nfs/dbraw/zinc/27/76/28/345277628.db2.gz NOBNJLNNGAMAKA-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000158693829 345364172 /nfs/dbraw/zinc/36/41/72/345364172.db2.gz KUMQAUPQSMGDDG-NHCYSSNCSA-N 1 3 243.326 0.322 20 0 BCADHO C[NH2+]Cc1ccccc1NC(=O)[C@H](C)N ZINC000381334848 345375425 /nfs/dbraw/zinc/37/54/25/345375425.db2.gz VIXYOGWWKOVFNY-QMMMGPOBSA-N 1 3 207.277 0.692 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000158879376 345383582 /nfs/dbraw/zinc/38/35/82/345383582.db2.gz HAMQOTOGNLLLBM-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000068891765 349930030 /nfs/dbraw/zinc/93/00/30/349930030.db2.gz AQKKJQGYFTXIMQ-ZYHUDNBSSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068891765 349930033 /nfs/dbraw/zinc/93/00/33/349930033.db2.gz AQKKJQGYFTXIMQ-ZYHUDNBSSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000068891765 349930038 /nfs/dbraw/zinc/93/00/38/349930038.db2.gz AQKKJQGYFTXIMQ-ZYHUDNBSSA-N 1 3 228.336 0.068 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000212971367 345740327 /nfs/dbraw/zinc/74/03/27/345740327.db2.gz PTPOPCUJPMSHDW-SECBINFHSA-N 1 3 213.325 0.310 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635559517 345748602 /nfs/dbraw/zinc/74/86/02/345748602.db2.gz SSOAYFGCCSUVIR-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635559517 345748605 /nfs/dbraw/zinc/74/86/05/345748605.db2.gz SSOAYFGCCSUVIR-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635559515 345748634 /nfs/dbraw/zinc/74/86/34/345748634.db2.gz SSOAYFGCCSUVIR-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635559515 345748636 /nfs/dbraw/zinc/74/86/36/345748636.db2.gz SSOAYFGCCSUVIR-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635641777 345914054 /nfs/dbraw/zinc/91/40/54/345914054.db2.gz WWFVWWWREUSISR-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178869270 345918708 /nfs/dbraw/zinc/91/87/08/345918708.db2.gz MJRXFNRHXRKATE-PWSUYJOCSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186284631 345964272 /nfs/dbraw/zinc/96/42/72/345964272.db2.gz HEXAWVFSQPZMKY-SNVBAGLBSA-N 1 3 225.336 0.396 20 0 BCADHO C[C@H]1CCC[C@@](CNC(N)=[NH2+])(N(C)C)C1 ZINC000052020233 346234340 /nfs/dbraw/zinc/23/43/40/346234340.db2.gz VUOLADOUNZMGAY-GXSJLCMTSA-N 1 3 212.341 0.980 20 0 BCADHO CC(C)(N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000336568949 187317219 /nfs/dbraw/zinc/31/72/19/187317219.db2.gz YWYQRLAOAHFVNF-UHFFFAOYSA-N 1 3 227.352 0.892 20 0 BCADHO COC[C@@H](CO)[NH2+]C1CCN(CC2CC2)CC1 ZINC000684425517 488311393 /nfs/dbraw/zinc/31/13/93/488311393.db2.gz YJVFSAGWGVDKLX-CYBMUJFWSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H]1CC[N@H+](CCc2cncn2C)C[C@H]1CN ZINC000641797959 362737882 /nfs/dbraw/zinc/73/78/82/362737882.db2.gz AXXRPFLJMCBUHV-NWDGAFQWSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@H]1CC[N@@H+](CCc2cncn2C)C[C@H]1CN ZINC000641797959 362737887 /nfs/dbraw/zinc/73/78/87/362737887.db2.gz AXXRPFLJMCBUHV-NWDGAFQWSA-N 1 3 236.363 0.879 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NCCc1cn[nH]c1 ZINC000641798021 362738703 /nfs/dbraw/zinc/73/87/03/362738703.db2.gz CCRQDIXUTXERSO-GHMZBOCLSA-N 1 3 208.309 0.812 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334226332 535048589 /nfs/dbraw/zinc/04/85/89/535048589.db2.gz MXPJSZPODUXPTJ-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO Cn1cncc1CCN1CC[C@](C)(C[NH3+])C1 ZINC000641799212 362746690 /nfs/dbraw/zinc/74/66/90/362746690.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000641799212 362746694 /nfs/dbraw/zinc/74/66/94/362746694.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@](C)(CN)C1 ZINC000641799212 362746698 /nfs/dbraw/zinc/74/66/98/362746698.db2.gz OIKRABUMOOEKPC-GFCCVEGCSA-N 1 3 222.336 0.633 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCc1cn[nH]c1 ZINC000641799714 362748473 /nfs/dbraw/zinc/74/84/73/362748473.db2.gz PRDJFXIFXOSYBS-SNVBAGLBSA-N 1 3 210.325 0.915 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186341891 346504779 /nfs/dbraw/zinc/50/47/79/346504779.db2.gz QIZAFWQDGNZVQH-KOLCDFICSA-N 1 3 225.336 0.396 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000580071857 346511939 /nfs/dbraw/zinc/51/19/39/346511939.db2.gz OVUSLKQSLXIHOG-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C1CCN(C2CC2)CC1 ZINC000580071649 346512070 /nfs/dbraw/zinc/51/20/70/346512070.db2.gz CWEBNHADGWVMTA-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOC[C@@H]1CCCO1 ZINC000641802302 362759759 /nfs/dbraw/zinc/75/97/59/362759759.db2.gz IYIAIEVNFGOEAF-TUAOUCFPSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000641802302 362759762 /nfs/dbraw/zinc/75/97/62/362759762.db2.gz IYIAIEVNFGOEAF-TUAOUCFPSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N(C)CCC[NH+](C)C ZINC000580112268 346538116 /nfs/dbraw/zinc/53/81/16/346538116.db2.gz GTDYXOUCHYGYGA-NSHDSACASA-N 1 3 244.383 0.530 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186868940 346541634 /nfs/dbraw/zinc/54/16/34/346541634.db2.gz KOGRTRQZDRGLRK-KXUCPTDWSA-N 1 3 245.392 0.181 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186868905 346541666 /nfs/dbraw/zinc/54/16/66/346541666.db2.gz KOGRTRQZDRGLRK-UTLUCORTSA-N 1 3 245.392 0.181 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@](C)(O)CC1 ZINC000380157927 346583052 /nfs/dbraw/zinc/58/30/52/346583052.db2.gz KFYVXZHHJDJQBD-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@](C)(O)CC1 ZINC000380157927 346583054 /nfs/dbraw/zinc/58/30/54/346583054.db2.gz KFYVXZHHJDJQBD-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CC[C@H](C)C1 ZINC000580201562 346658391 /nfs/dbraw/zinc/65/83/91/346658391.db2.gz UGDJQKGDOZSKGH-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000577178658 365860026 /nfs/dbraw/zinc/86/00/26/365860026.db2.gz LYXCZQOKCDDFIN-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CC[N@H+](CC(C)(C)N)C[C@H]1CO ZINC000622003593 370653989 /nfs/dbraw/zinc/65/39/89/370653989.db2.gz BZPDBNPLRXYQQT-UWVGGRQHSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@H]1CC[N@@H+](CC(C)(C)N)C[C@H]1CO ZINC000622003593 370653991 /nfs/dbraw/zinc/65/39/91/370653991.db2.gz BZPDBNPLRXYQQT-UWVGGRQHSA-N 1 3 200.326 0.674 20 0 BCADHO C[NH2+]CCOCCN(C)CCc1cn[nH]c1 ZINC000641819918 362771221 /nfs/dbraw/zinc/77/12/21/362771221.db2.gz IDWGIFTWYXABCX-UHFFFAOYSA-N 1 3 226.324 0.120 20 0 BCADHO CC(C)[C@@H]1CNCC[N@@H+]1CCc1cncn1C ZINC000641820012 362771443 /nfs/dbraw/zinc/77/14/43/362771443.db2.gz LDHCMBNNHPPXFU-ZDUSSCGKSA-N 1 3 236.363 0.892 20 0 BCADHO CC(C)[C@@H]1CNCC[N@H+]1CCc1cncn1C ZINC000641820012 362771446 /nfs/dbraw/zinc/77/14/46/362771446.db2.gz LDHCMBNNHPPXFU-ZDUSSCGKSA-N 1 3 236.363 0.892 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309807262 347173477 /nfs/dbraw/zinc/17/34/77/347173477.db2.gz SMOHWOJCLLHUIW-ZJUUUORDSA-N 1 3 213.325 0.357 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000082280615 347328144 /nfs/dbraw/zinc/32/81/44/347328144.db2.gz PFALQVDNDCYUIE-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)C(C)C ZINC000019489208 347331368 /nfs/dbraw/zinc/33/13/68/347331368.db2.gz KPMUVJNSBHJSJD-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000582120890 347391305 /nfs/dbraw/zinc/39/13/05/347391305.db2.gz XGMWBTQYPMJSCX-NNYUYHANSA-N 1 3 239.363 0.522 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000582120888 347391403 /nfs/dbraw/zinc/39/14/03/347391403.db2.gz XGMWBTQYPMJSCX-BJDJZHNGSA-N 1 3 239.363 0.522 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000571560558 323147862 /nfs/dbraw/zinc/14/78/62/323147862.db2.gz NWIARLIWAIJXQA-JGVFFNPUSA-N 1 3 235.278 0.179 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571641036 323150540 /nfs/dbraw/zinc/15/05/40/323150540.db2.gz YUQUSJFBTRAZQR-BBBLOLIVSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000571653501 323151203 /nfs/dbraw/zinc/15/12/03/323151203.db2.gz SMSOIYZMAKFGPP-KXUCPTDWSA-N 1 3 225.336 0.465 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000591442530 347662137 /nfs/dbraw/zinc/66/21/37/347662137.db2.gz QYKCTVBINHTXBO-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000591442530 347662138 /nfs/dbraw/zinc/66/21/38/347662138.db2.gz QYKCTVBINHTXBO-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CN(CCN1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591457873 347665161 /nfs/dbraw/zinc/66/51/61/347665161.db2.gz KMNXOPRXBKJOLJ-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO CN(CCN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591457873 347665163 /nfs/dbraw/zinc/66/51/63/347665163.db2.gz KMNXOPRXBKJOLJ-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000592336454 347768405 /nfs/dbraw/zinc/76/84/05/347768405.db2.gz AMNSGPKHYBJIMQ-NXEZZACHSA-N 1 3 247.408 0.701 20 0 BCADHO CCN1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000054342415 347768486 /nfs/dbraw/zinc/76/84/86/347768486.db2.gz CJGOVULVUHOMIN-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO COC(=O)[C@@H](C)CN(C)C[C@@H]1CC[NH2+]C1 ZINC000592493352 347787561 /nfs/dbraw/zinc/78/75/61/347787561.db2.gz OZUBRMZEAPTCOX-VHSXEESVSA-N 1 3 214.309 0.337 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+]CC1(O)CCC1 ZINC000577373476 365937423 /nfs/dbraw/zinc/93/74/23/365937423.db2.gz SGQALBMMDCTANR-GFCCVEGCSA-N 1 3 244.379 0.584 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669586473 490111555 /nfs/dbraw/zinc/11/15/55/490111555.db2.gz OOODLEOUSXKHOU-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC(F)F)[NH+]1CCCC1 ZINC000383341375 348347703 /nfs/dbraw/zinc/34/77/03/348347703.db2.gz KQQPHOGUBWVMKQ-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)C(C)(C)N ZINC000309010431 323184218 /nfs/dbraw/zinc/18/42/18/323184218.db2.gz RQIZLAIEOPGMFP-QMMMGPOBSA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@](C)(C[NH2+]CC1(O)CCN(C)CC1)OC ZINC000397552339 362893334 /nfs/dbraw/zinc/89/33/34/362893334.db2.gz YDTQFNBOZKFBJX-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO C[NH2+]C[C@@H](C)NC1CCC(C(=O)OC)CC1 ZINC000596108019 348441620 /nfs/dbraw/zinc/44/16/20/348441620.db2.gz TUFGBBYUURFWHP-KPPDAEKUSA-N 1 3 228.336 0.916 20 0 BCADHO CSCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000596649163 348605104 /nfs/dbraw/zinc/60/51/04/348605104.db2.gz CCUJGDJJJHABJX-LPEHRKFASA-N 1 3 218.366 0.691 20 0 BCADHO CN(C[C@@H]1CCCC[C@@H]1O)C1CC([NH3+])C1 ZINC000384812263 490191099 /nfs/dbraw/zinc/19/10/99/490191099.db2.gz CNLNLCKPYDOTJH-XKGSQUFQSA-N 1 3 212.337 0.959 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000404930913 362931963 /nfs/dbraw/zinc/93/19/63/362931963.db2.gz LUWUKVXBZNBWMS-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC000216464601 350001551 /nfs/dbraw/zinc/00/15/51/350001551.db2.gz AJOBILXFWLAPCA-JTQLQIEISA-N 1 3 213.325 0.101 20 0 BCADHO CN[C@@H](C)C(=O)NCCCC[NH+](C)C ZINC000054076833 348880023 /nfs/dbraw/zinc/88/00/23/348880023.db2.gz FNBHAOIQLDYQQH-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)[NH2+]C ZINC000054076848 348880033 /nfs/dbraw/zinc/88/00/33/348880033.db2.gz YNXZMHGBOKDAPV-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)C(C)C ZINC000308885888 349024581 /nfs/dbraw/zinc/02/45/81/349024581.db2.gz VVRCORCGOJFGAP-VIFPVBQESA-N 1 3 201.314 0.086 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000247313149 349116644 /nfs/dbraw/zinc/11/66/44/349116644.db2.gz RHUOPVYFGGCSNK-NHCYSSNCSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000333846347 538035882 /nfs/dbraw/zinc/03/58/82/538035882.db2.gz PELPJWOEVWWNQH-OUAUKWLOSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H](C)[NH3+] ZINC000252851468 349218988 /nfs/dbraw/zinc/21/89/88/349218988.db2.gz IBQUEOKFVAYRRW-KXNHARMFSA-N 1 3 239.363 0.665 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252616025 349207405 /nfs/dbraw/zinc/20/74/05/349207405.db2.gz ZMTSMNAXMBASTK-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)CC(F)F ZINC000309038866 349371324 /nfs/dbraw/zinc/37/13/24/349371324.db2.gz IIZOGWZIXZEMKW-SSDOTTSWSA-N 1 3 223.267 0.037 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000300898431 349418638 /nfs/dbraw/zinc/41/86/38/349418638.db2.gz QPBUXUQZJBPZEJ-HBNTYKKESA-N 1 3 216.325 0.243 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@H]1CCSC1)C1CC1 ZINC000309119803 350036831 /nfs/dbraw/zinc/03/68/31/350036831.db2.gz SQOIFUXULRPRKE-ONGXEEELSA-N 1 3 230.377 0.537 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCSC1)C1CC1 ZINC000309119803 350036833 /nfs/dbraw/zinc/03/68/33/350036833.db2.gz SQOIFUXULRPRKE-ONGXEEELSA-N 1 3 230.377 0.537 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563099923 350057483 /nfs/dbraw/zinc/05/74/83/350057483.db2.gz DLWOVEKUAPFCHD-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC[C@@H]1CN(CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251723017 538051973 /nfs/dbraw/zinc/05/19/73/538051973.db2.gz KBVOTZRKVWBDBI-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCOCC1(C)C ZINC000422712282 192438787 /nfs/dbraw/zinc/43/87/87/192438787.db2.gz NUMWMEXKYOPOJN-RYUDHWBXSA-N 1 3 243.395 0.813 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000422728510 192444196 /nfs/dbraw/zinc/44/41/96/192444196.db2.gz JESOFHNZHHQDMH-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)N(C)C ZINC000422714034 192439446 /nfs/dbraw/zinc/43/94/46/192439446.db2.gz QLXIZUPYBYSFSP-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)N(C)C1CC1 ZINC000219942032 350151457 /nfs/dbraw/zinc/15/14/57/350151457.db2.gz IZCNMSMMYWSSIX-UWVGGRQHSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334242400 538062038 /nfs/dbraw/zinc/06/20/38/538062038.db2.gz XKCYHARKZLFPSG-DGCLKSJQSA-N 1 3 239.363 0.572 20 0 BCADHO Cc1cnn(CCN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000304430401 350156662 /nfs/dbraw/zinc/15/66/62/350156662.db2.gz SQHXTHHTMCZOFX-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO Cc1cnn(CCN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000304430398 350156856 /nfs/dbraw/zinc/15/68/56/350156856.db2.gz SQHXTHHTMCZOFX-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)N(C)C1CC1 ZINC000219942123 350151398 /nfs/dbraw/zinc/15/13/98/350151398.db2.gz IZCNMSMMYWSSIX-NXEZZACHSA-N 1 3 239.363 0.441 20 0 BCADHO CCCN(C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000427163034 191054953 /nfs/dbraw/zinc/05/49/53/191054953.db2.gz FBCPXQUYKNNXHL-UHFFFAOYSA-N 1 3 225.336 0.364 20 0 BCADHO CC(C)C[C@H](CNC(=O)CN)[NH+](C)C ZINC000040831250 191058618 /nfs/dbraw/zinc/05/86/18/191058618.db2.gz QIAUUQLQQLFWSS-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309258582 350243422 /nfs/dbraw/zinc/24/34/22/350243422.db2.gz HEJFREQJIHBRDP-UTLUCORTSA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309265520 350247105 /nfs/dbraw/zinc/24/71/05/350247105.db2.gz CAQZMSANJVSYAK-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@H](CNC(=O)CN)C[NH+]1CCCCC1 ZINC000038042223 350303016 /nfs/dbraw/zinc/30/30/16/350303016.db2.gz SOFCBKDJPVLFIU-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CCC[NH+]1CCC(NC[C@H](O)COCC)CC1 ZINC000069278100 350352403 /nfs/dbraw/zinc/35/24/03/350352403.db2.gz FKACAMMWYGGVFZ-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO CSCC[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309373076 350362021 /nfs/dbraw/zinc/36/20/21/350362021.db2.gz CHFUZGSDNUWBNQ-QMMMGPOBSA-N 1 3 231.365 0.064 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309412111 350372261 /nfs/dbraw/zinc/37/22/61/350372261.db2.gz IRCVHHXVKUNPPO-VHSXEESVSA-N 1 3 213.325 0.311 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCC[C@H]1CN(C)C ZINC000069840251 350418384 /nfs/dbraw/zinc/41/83/84/350418384.db2.gz WIHPKUSUINNUBC-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CN1CC[C@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000070583868 350543873 /nfs/dbraw/zinc/54/38/73/350543873.db2.gz SBCSBPHSZMJWIF-MNOVXSKESA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248597465 191108817 /nfs/dbraw/zinc/10/88/17/191108817.db2.gz IJORVWYXHBXQSA-SDDRHHMPSA-N 1 3 239.363 0.522 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000094648344 350598570 /nfs/dbraw/zinc/59/85/70/350598570.db2.gz FWOAMLOFZJKVCD-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CCN(C)C(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000570964171 350668023 /nfs/dbraw/zinc/66/80/23/350668023.db2.gz FYZBIEDXDWVYOK-GFCCVEGCSA-N 1 3 227.352 0.572 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577612108 366016865 /nfs/dbraw/zinc/01/68/65/366016865.db2.gz FPJCHHVFKRPWER-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000577612107 366017676 /nfs/dbraw/zinc/01/76/76/366017676.db2.gz FPJCHHVFKRPWER-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CNCCC1(F)F ZINC000571761355 323474075 /nfs/dbraw/zinc/47/40/75/323474075.db2.gz HOJXMOWAEDKGEE-SFYZADRCSA-N 1 3 235.278 0.227 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000572122229 323543280 /nfs/dbraw/zinc/54/32/80/323543280.db2.gz WKRGGXWKJYIHDQ-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CC[NH3+])C(=O)NCCN(CC)C1CC1 ZINC000626964466 363065832 /nfs/dbraw/zinc/06/58/32/363065832.db2.gz GODUIOQZANZDMO-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C1(N)CCC1 ZINC000088050958 351539424 /nfs/dbraw/zinc/53/94/24/351539424.db2.gz PLKZMAKDNPPNHC-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)N2CCCNCC2)CC[N@@H+]1C ZINC000637803839 351640471 /nfs/dbraw/zinc/64/04/71/351640471.db2.gz OZOUTHRFRRRNNR-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)N2CCCNCC2)CC[N@H+]1C ZINC000637803839 351640473 /nfs/dbraw/zinc/64/04/73/351640473.db2.gz OZOUTHRFRRRNNR-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000637806646 351644031 /nfs/dbraw/zinc/64/40/31/351644031.db2.gz ZORSYJJEJNPVMI-LBPRGKRZSA-N 1 3 241.379 0.866 20 0 BCADHO CCN[C@@H](C)C(=O)NCCC[NH2+]CC ZINC000637809013 351645392 /nfs/dbraw/zinc/64/53/92/351645392.db2.gz JCHOBQFURIGFJX-VIFPVBQESA-N 1 3 201.314 0.100 20 0 BCADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])N(C)C ZINC000637816458 351656178 /nfs/dbraw/zinc/65/61/78/351656178.db2.gz LYEHVAPPSHOAEJ-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000637799151 351627943 /nfs/dbraw/zinc/62/79/43/351627943.db2.gz KPGAAWQXTRDGKP-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000637832117 351680890 /nfs/dbraw/zinc/68/08/90/351680890.db2.gz HSSNTJYDTHIWPF-JQWIXIFHSA-N 1 3 235.331 0.801 20 0 BCADHO N[C@H](CNC(=O)CCC1C[NH2+]C1)c1ccccc1 ZINC000637831527 351685959 /nfs/dbraw/zinc/68/59/59/351685959.db2.gz DGWAFOZWBJFITD-CYBMUJFWSA-N 1 3 247.342 0.802 20 0 BCADHO N[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637834426 351688786 /nfs/dbraw/zinc/68/87/86/351688786.db2.gz ZAQDMUQMICNMDY-QWHCGFSZSA-N 1 3 245.326 0.850 20 0 BCADHO CC[C@H](C(=O)NC1(C[NH3+])CCCC1)N(C)C ZINC000637839314 351689560 /nfs/dbraw/zinc/68/95/60/351689560.db2.gz IUWWUEGKXFTCGT-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000637843144 351701839 /nfs/dbraw/zinc/70/18/39/351701839.db2.gz WLNPDCDXGZYDMR-UWVGGRQHSA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000577720084 366042045 /nfs/dbraw/zinc/04/20/45/366042045.db2.gz XVIIIANAQISBSX-XWLWVQCSSA-N 1 3 227.352 0.556 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000637821445 351665948 /nfs/dbraw/zinc/66/59/48/351665948.db2.gz BLQJIQLKKTWDIL-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000577731784 366046650 /nfs/dbraw/zinc/04/66/50/366046650.db2.gz SHNJXIZLPIGXKQ-RKDXNWHRSA-N 1 3 249.305 0.699 20 0 BCADHO [NH3+]CC12CCC(CC1)CN2C(=O)CNC1CC1 ZINC000577764475 366056802 /nfs/dbraw/zinc/05/68/02/366056802.db2.gz HDTCQHKQQWNBOL-UHFFFAOYSA-N 1 3 237.347 0.468 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCNCC1(C)C ZINC000637857596 351717974 /nfs/dbraw/zinc/71/79/74/351717974.db2.gz RIZUAZURFQASIW-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000577749893 366053449 /nfs/dbraw/zinc/05/34/49/366053449.db2.gz CDGYEJHOGAGKMM-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCCC[NH+](C)C ZINC000638046711 351925794 /nfs/dbraw/zinc/92/57/94/351925794.db2.gz DTRDVHQLBQCTTP-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCCC1 ZINC000638059777 351933556 /nfs/dbraw/zinc/93/35/56/351933556.db2.gz WPUPUOUQWDPTME-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638076982 351948506 /nfs/dbraw/zinc/94/85/06/351948506.db2.gz NYPFEYKZAVZGCC-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000638070705 351942085 /nfs/dbraw/zinc/94/20/85/351942085.db2.gz VFGURGLCWAHFQP-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638072229 351944454 /nfs/dbraw/zinc/94/44/54/351944454.db2.gz KZRPSAOEYDVWBZ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638072229 351944455 /nfs/dbraw/zinc/94/44/55/351944455.db2.gz KZRPSAOEYDVWBZ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000638072232 351944564 /nfs/dbraw/zinc/94/45/64/351944564.db2.gz KZRPSAOEYDVWBZ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000638072232 351944566 /nfs/dbraw/zinc/94/45/66/351944566.db2.gz KZRPSAOEYDVWBZ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO COCC[NH2+]CCNC(=O)[C@H](N)CCC(C)C ZINC000638153902 352014403 /nfs/dbraw/zinc/01/44/03/352014403.db2.gz LIYXJQOFBHWDHK-LLVKDONJSA-N 1 3 245.367 0.102 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638076621 351949571 /nfs/dbraw/zinc/94/95/71/351949571.db2.gz ZQLGWTHJSWBWOZ-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638076621 351949574 /nfs/dbraw/zinc/94/95/74/351949574.db2.gz ZQLGWTHJSWBWOZ-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CN1CCC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638077840 351950641 /nfs/dbraw/zinc/95/06/41/351950641.db2.gz BHBRBMHFGPZHKT-WDEREUQCSA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000638093135 351972103 /nfs/dbraw/zinc/97/21/03/351972103.db2.gz BOOVQHQVJWTNCV-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000638094342 351974870 /nfs/dbraw/zinc/97/48/70/351974870.db2.gz HKBJALLZVGABOM-STQMWFEESA-N 1 3 249.358 0.731 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000638098347 351977789 /nfs/dbraw/zinc/97/77/89/351977789.db2.gz BUIXWNYACCSGJX-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000638099157 351979151 /nfs/dbraw/zinc/97/91/51/351979151.db2.gz ACSAPZCAICMDAV-GXSJLCMTSA-N 1 3 237.347 0.633 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCCN1CC ZINC000638099656 351980146 /nfs/dbraw/zinc/98/01/46/351980146.db2.gz CWSQONBTUPTTSR-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CC[C@H](C)C1 ZINC000638125980 351997186 /nfs/dbraw/zinc/99/71/86/351997186.db2.gz HUNPEORFRSLLND-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000638197214 352059527 /nfs/dbraw/zinc/05/95/27/352059527.db2.gz VSOGGCGHWPDCQS-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638199568 352063638 /nfs/dbraw/zinc/06/36/38/352063638.db2.gz DDBZLTZIFNJQAQ-GRYCIOLGSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000638204089 352065931 /nfs/dbraw/zinc/06/59/31/352065931.db2.gz IJIHXNGGDJRYNM-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000638204089 352065934 /nfs/dbraw/zinc/06/59/34/352065934.db2.gz IJIHXNGGDJRYNM-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N1CCN[C@H](C)[C@H]1C)[NH+](C)C ZINC000638205596 352067669 /nfs/dbraw/zinc/06/76/69/352067669.db2.gz IMDBGFYVUKRMFP-GMTAPVOTSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000638156719 352020350 /nfs/dbraw/zinc/02/03/50/352020350.db2.gz QJYLXGOJQXREHE-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@H](C)CN1 ZINC000638157105 352021533 /nfs/dbraw/zinc/02/15/33/352021533.db2.gz BVKHOTHIQPVEPL-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000638158395 352022260 /nfs/dbraw/zinc/02/22/60/352022260.db2.gz ZSXAVZPPJPECMH-TUAOUCFPSA-N 1 3 241.379 0.946 20 0 BCADHO CCN[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638166275 352030876 /nfs/dbraw/zinc/03/08/76/352030876.db2.gz WEMCDGWVGMDVOF-ZYHUDNBSSA-N 1 3 227.352 0.490 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C)C[NH3+] ZINC000638170424 352034267 /nfs/dbraw/zinc/03/42/67/352034267.db2.gz IYLLGUBZCMOATM-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000638175733 352041369 /nfs/dbraw/zinc/04/13/69/352041369.db2.gz LHPRRKMDRCWZAT-GFCCVEGCSA-N 1 3 239.363 0.786 20 0 BCADHO CO[C@H](CNCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000638289234 352125285 /nfs/dbraw/zinc/12/52/85/352125285.db2.gz FVEAEHOJCAUGDO-VXGBXAGGSA-N 1 3 230.352 0.579 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000638211170 352076962 /nfs/dbraw/zinc/07/69/62/352076962.db2.gz SCRKBYGAWHJZIW-BBBLOLIVSA-N 1 3 213.325 0.241 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000638243406 352089683 /nfs/dbraw/zinc/08/96/83/352089683.db2.gz OMXZVBCGPIBZCX-ZJUUUORDSA-N 1 3 215.341 0.618 20 0 BCADHO CCN[C@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638240836 352091643 /nfs/dbraw/zinc/09/16/43/352091643.db2.gz LTWZYOCVKVZDDU-IJLUTSLNSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638246987 352093417 /nfs/dbraw/zinc/09/34/17/352093417.db2.gz VOTHPOGDIFMBRG-YTWAJWBKSA-N 1 3 225.336 0.084 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243573 352094107 /nfs/dbraw/zinc/09/41/07/352094107.db2.gz BHDHVQDWPIIOJM-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638256536 352099337 /nfs/dbraw/zinc/09/93/37/352099337.db2.gz PZMSSSBKHUNLFQ-UTLUCORTSA-N 1 3 215.341 0.602 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638257753 352101216 /nfs/dbraw/zinc/10/12/16/352101216.db2.gz WHYOJIFZPZKPAP-RNFRBKRXSA-N 1 3 210.281 0.113 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000638261276 352103657 /nfs/dbraw/zinc/10/36/57/352103657.db2.gz DJYWHEUZKRWTSI-NXEZZACHSA-N 1 3 227.352 0.489 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CCC(C)C ZINC000638260249 352104407 /nfs/dbraw/zinc/10/44/07/352104407.db2.gz XJXDGNQKPACVCJ-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)N(C)C ZINC000638268280 352107892 /nfs/dbraw/zinc/10/78/92/352107892.db2.gz XRHPVUHNPZKFGN-VHSXEESVSA-N 1 3 227.352 0.583 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000638271554 352109498 /nfs/dbraw/zinc/10/94/98/352109498.db2.gz XKNVRQJTPMWQSL-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC1(C)CN(C(=O)C2=CC[C@H]([NH3+])C2)CCN1 ZINC000638271564 352109571 /nfs/dbraw/zinc/10/95/71/352109571.db2.gz XNMGPRWSDPAYOH-JTQLQIEISA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000638277023 352113778 /nfs/dbraw/zinc/11/37/78/352113778.db2.gz WXWKKPYVVRMBMK-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000638276865 352113823 /nfs/dbraw/zinc/11/38/23/352113823.db2.gz QDNKSIPUGPXSCW-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000638277021 352113848 /nfs/dbraw/zinc/11/38/48/352113848.db2.gz WXWKKPYVVRMBMK-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000638277024 352113874 /nfs/dbraw/zinc/11/38/74/352113874.db2.gz WXWKKPYVVRMBMK-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638333409 352151649 /nfs/dbraw/zinc/15/16/49/352151649.db2.gz XDXPXXHPDVUABY-NEPJUHHUSA-N 1 3 241.379 0.946 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000638375892 352185740 /nfs/dbraw/zinc/18/57/40/352185740.db2.gz JHKKRVKTKDCQAA-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH2+]C1CC1)N(C)C ZINC000638377511 352188861 /nfs/dbraw/zinc/18/88/61/352188861.db2.gz LYJRZHGHUBEKAF-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)N(C)C ZINC000638325802 352144944 /nfs/dbraw/zinc/14/49/44/352144944.db2.gz GYYZOIPUEZNFQS-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCN[C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638428535 352236538 /nfs/dbraw/zinc/23/65/38/352236538.db2.gz WLEIKDUYZVIXDU-VHSXEESVSA-N 1 3 215.341 0.474 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638430770 352238575 /nfs/dbraw/zinc/23/85/75/352238575.db2.gz BBOYARLIWMSDOP-JTQLQIEISA-N 1 3 229.368 0.688 20 0 BCADHO CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638431843 352240318 /nfs/dbraw/zinc/24/03/18/352240318.db2.gz VJYAJMBOTPTFJU-GMTAPVOTSA-N 1 3 245.342 0.648 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)N(C)C ZINC000638399059 352205756 /nfs/dbraw/zinc/20/57/56/352205756.db2.gz YBQQFRCKEWORJP-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)N(C)C ZINC000638399061 352206169 /nfs/dbraw/zinc/20/61/69/352206169.db2.gz YBQQFRCKEWORJP-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000638419102 352228439 /nfs/dbraw/zinc/22/84/39/352228439.db2.gz FTJGAFUNIKWFSD-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)N(C)C ZINC000638435600 352246137 /nfs/dbraw/zinc/24/61/37/352246137.db2.gz DBLAERITDABZOQ-MWLCHTKSSA-N 1 3 213.325 0.195 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509091 352332431 /nfs/dbraw/zinc/33/24/31/352332431.db2.gz RABGRABIEMWJDL-SFYZADRCSA-N 1 3 247.289 0.370 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509080 352332500 /nfs/dbraw/zinc/33/25/00/352332500.db2.gz RABGRABIEMWJDL-HTQZYQBOSA-N 1 3 247.289 0.370 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)C ZINC000638511899 352336254 /nfs/dbraw/zinc/33/62/54/352336254.db2.gz HRBWKGYWLFKWKU-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO N[C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511411 352336453 /nfs/dbraw/zinc/33/64/53/352336453.db2.gz OXCNROCGGVKTSG-MNOVXSKESA-N 1 3 237.347 0.515 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN(C)C(C)C ZINC000638572675 352401136 /nfs/dbraw/zinc/40/11/36/352401136.db2.gz UAKJPPODAGJFGB-WDEREUQCSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC000638576667 352407589 /nfs/dbraw/zinc/40/75/89/352407589.db2.gz QAZIZYVAXNIUGD-VHSXEESVSA-N 1 3 236.319 0.517 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641141 352483438 /nfs/dbraw/zinc/48/34/38/352483438.db2.gz DDIXUCBAPJZQPY-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)C2CCC2)C[NH2+]1 ZINC000638641560 352484848 /nfs/dbraw/zinc/48/48/48/352484848.db2.gz DRMGTGYVLOAGKY-MIMYLULJSA-N 1 3 225.336 0.371 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643560 352486323 /nfs/dbraw/zinc/48/63/23/352486323.db2.gz LTPACJAYAQXGPQ-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)C2CCN(C)CC2)C[NH2+]1 ZINC000638644882 352488353 /nfs/dbraw/zinc/48/83/53/352488353.db2.gz IRHJYBMYJGUHCU-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653809 352494198 /nfs/dbraw/zinc/49/41/98/352494198.db2.gz HJORRMCCFJXBNF-VWYCJHECSA-N 1 3 227.352 0.617 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638667892 352510540 /nfs/dbraw/zinc/51/05/40/352510540.db2.gz FHZXVKOADCQWOP-UHFFFAOYSA-N 1 3 235.287 0.456 20 0 BCADHO NCC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638669902 352511612 /nfs/dbraw/zinc/51/16/12/352511612.db2.gz XONJYRPYCHQKFN-UHFFFAOYSA-N 1 3 221.260 0.066 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638730064 352592395 /nfs/dbraw/zinc/59/23/95/352592395.db2.gz RBJLPBKSBUXXMJ-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)C[NH+]1CCCCC1 ZINC000040924314 352600230 /nfs/dbraw/zinc/60/02/30/352600230.db2.gz JVVVYTSYNLVBHZ-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526597 352653960 /nfs/dbraw/zinc/65/39/60/352653960.db2.gz LOCPKPORQOJDHK-PWSUYJOCSA-N 1 3 241.379 0.818 20 0 BCADHO CCN(CC)C(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514476 352654003 /nfs/dbraw/zinc/65/40/03/352654003.db2.gz DYVQDQUODBKRBC-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000638767932 352708310 /nfs/dbraw/zinc/70/83/10/352708310.db2.gz MMZBIORHYMJCSF-AXFHLTTASA-N 1 3 227.352 0.439 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638773474 352714822 /nfs/dbraw/zinc/71/48/22/352714822.db2.gz MBHGWBBIZQWDNX-NGZCFLSTSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000638772530 352714867 /nfs/dbraw/zinc/71/48/67/352714867.db2.gz CHAZHGUMDPSDFO-AEJSXWLSSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(NC2CC2)CCC1 ZINC000638772724 352715472 /nfs/dbraw/zinc/71/54/72/352715472.db2.gz FHIQYAOSGVZOST-GXSJLCMTSA-N 1 3 237.347 0.528 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000638790394 352750056 /nfs/dbraw/zinc/75/00/56/352750056.db2.gz HNJAUJLZAJBEEV-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373054364 187900366 /nfs/dbraw/zinc/90/03/66/187900366.db2.gz VSDPKSBJGHDNJE-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO NCc1ccc2c(c1)N(C(=O)CCC[NH3+])CCO2 ZINC000638803854 352976432 /nfs/dbraw/zinc/97/64/32/352976432.db2.gz QFWNHYNXVDUREA-UHFFFAOYSA-N 1 3 249.314 0.610 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCOc2ccc(CN)cc21 ZINC000638805033 352979399 /nfs/dbraw/zinc/97/93/99/352979399.db2.gz HTZUCOXCMCVJRP-SECBINFHSA-N 1 3 249.314 0.466 20 0 BCADHO CO[C@]1(C[NH2+]CC2=CCN(C)CC2)CCOC1 ZINC000638838536 353022939 /nfs/dbraw/zinc/02/29/39/353022939.db2.gz LCXOIITYJMCSRK-ZDUSSCGKSA-N 1 3 240.347 0.643 20 0 BCADHO c1ccc(CCN2CC[C@H](NC3C[NH2+]C3)C2)cc1 ZINC000583493839 353028902 /nfs/dbraw/zinc/02/89/02/353028902.db2.gz CAACKNRMLYSLLW-AWEZNQCLSA-N 1 3 245.370 0.865 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819835 353000601 /nfs/dbraw/zinc/00/06/01/353000601.db2.gz NRAIMCVVWQRPPE-VHSXEESVSA-N 1 3 213.325 0.454 20 0 BCADHO NC1(C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000638821838 353002753 /nfs/dbraw/zinc/00/27/53/353002753.db2.gz BKUJQNGRJUBGIB-VIFPVBQESA-N 1 3 211.309 0.208 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000638823020 353004338 /nfs/dbraw/zinc/00/43/38/353004338.db2.gz OGALVBWIIKQNNF-VXGBXAGGSA-N 1 3 239.363 0.858 20 0 BCADHO [NH3+][C@H]1CCCCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000638823019 353004419 /nfs/dbraw/zinc/00/44/19/353004419.db2.gz OGALVBWIIKQNNF-RYUDHWBXSA-N 1 3 239.363 0.858 20 0 BCADHO NC1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CCCC1 ZINC000638823741 353005005 /nfs/dbraw/zinc/00/50/05/353005005.db2.gz WHDBZTAMTAQZEV-LLVKDONJSA-N 1 3 239.363 0.988 20 0 BCADHO NC1(C(=O)N2CCCCC[C@H]([NH3+])C2)CCCC1 ZINC000638823742 353005101 /nfs/dbraw/zinc/00/51/01/353005101.db2.gz WHDBZTAMTAQZEV-NSHDSACASA-N 1 3 239.363 0.988 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913654 353072101 /nfs/dbraw/zinc/07/21/01/353072101.db2.gz BADWNXUPZHMXMS-USZNOCQGSA-N 1 3 237.347 0.432 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000261573379 535196924 /nfs/dbraw/zinc/19/69/24/535196924.db2.gz ITEQIEQPVMHNSS-SECBINFHSA-N 1 3 213.325 0.311 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000261573379 535196926 /nfs/dbraw/zinc/19/69/26/535196926.db2.gz ITEQIEQPVMHNSS-SECBINFHSA-N 1 3 213.325 0.311 20 0 BCADHO CC(C)(N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873820 353043827 /nfs/dbraw/zinc/04/38/27/353043827.db2.gz LZZJFRWKNPIDFS-LBPRGKRZSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc2c1CNC2 ZINC000638929792 353090327 /nfs/dbraw/zinc/09/03/27/353090327.db2.gz HTBJGPHDRDVXEE-KOLCDFICSA-N 1 3 245.326 0.852 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H]1CNCCC1(F)F ZINC000638934042 353096856 /nfs/dbraw/zinc/09/68/56/353096856.db2.gz FGABFJBEXXNFON-IWSPIJDZSA-N 1 3 247.289 0.179 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CNCCC1(F)F ZINC000638934044 353096914 /nfs/dbraw/zinc/09/69/14/353096914.db2.gz FGABFJBEXXNFON-VGMNWLOBSA-N 1 3 247.289 0.179 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000337502505 188015429 /nfs/dbraw/zinc/01/54/29/188015429.db2.gz DWGSFBZJCASDLQ-VWYCJHECSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638941950 353134519 /nfs/dbraw/zinc/13/45/19/353134519.db2.gz AKJBODOBBSYJOR-BJDJZHNGSA-N 1 3 241.379 0.994 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000638942259 353135518 /nfs/dbraw/zinc/13/55/18/353135518.db2.gz FSNQZLAQATWLEO-KYZUINATSA-N 1 3 211.309 0.111 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2)CC1 ZINC000638942442 353136711 /nfs/dbraw/zinc/13/67/11/353136711.db2.gz HWJMJYPMIVBFAO-IJLUTSLNSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575442 188046311 /nfs/dbraw/zinc/04/63/11/188046311.db2.gz OLNNWSVGLFXAIT-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CN1CCC(C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000131179399 188048721 /nfs/dbraw/zinc/04/87/21/188048721.db2.gz OPNXDDNNVIJUPI-GFCCVEGCSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)CN1 ZINC000332147134 188053552 /nfs/dbraw/zinc/05/35/52/188053552.db2.gz NRZQIDDNPCYIND-YWVKMMECSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000336519612 188057011 /nfs/dbraw/zinc/05/70/11/188057011.db2.gz LUUUHMISXXZGEF-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967203 353175155 /nfs/dbraw/zinc/17/51/55/353175155.db2.gz KBVNTXKVEQFNJU-GMTAPVOTSA-N 1 3 239.363 0.618 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022686 353278429 /nfs/dbraw/zinc/27/84/29/353278429.db2.gz PUEQJPDBAHVGLV-OPRDCNLKSA-N 1 3 213.325 0.356 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021268 353279080 /nfs/dbraw/zinc/27/90/80/353279080.db2.gz GEVYUZODZZZQRQ-DBIOUOCHSA-N 1 3 227.352 0.746 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639021903 353280207 /nfs/dbraw/zinc/28/02/07/353280207.db2.gz OIHVYZAFFDUIJS-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356285902 188238675 /nfs/dbraw/zinc/23/86/75/188238675.db2.gz XBRNVFHXSPNNLG-UHFFFAOYSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357412283 188239939 /nfs/dbraw/zinc/23/99/39/188239939.db2.gz KUMCHVKIFFQNRC-VXGBXAGGSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357412283 188239941 /nfs/dbraw/zinc/23/99/41/188239941.db2.gz KUMCHVKIFFQNRC-VXGBXAGGSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639028262 353288968 /nfs/dbraw/zinc/28/89/68/353288968.db2.gz XSZIJIUNLAFHQC-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368101120 188247315 /nfs/dbraw/zinc/24/73/15/188247315.db2.gz SMRUQXJRQYHNGH-TUAOUCFPSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000372119027 188249379 /nfs/dbraw/zinc/24/93/79/188249379.db2.gz UFAJKKKWVWSGSJ-NWDGAFQWSA-N 1 3 245.342 0.568 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CCC1 ZINC000639030525 353292180 /nfs/dbraw/zinc/29/21/80/353292180.db2.gz GYBPUSCGLCUMRX-KYZUINATSA-N 1 3 211.309 0.254 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484911 188254880 /nfs/dbraw/zinc/25/48/80/188254880.db2.gz ZUKCLACBZNMPEL-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484911 188254881 /nfs/dbraw/zinc/25/48/81/188254881.db2.gz ZUKCLACBZNMPEL-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000251955904 353293667 /nfs/dbraw/zinc/29/36/67/353293667.db2.gz VCLGQFZCLYCOTD-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000251955904 353293669 /nfs/dbraw/zinc/29/36/69/353293669.db2.gz VCLGQFZCLYCOTD-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000165300810 353294305 /nfs/dbraw/zinc/29/43/05/353294305.db2.gz VRRSODKSVUBIRP-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000037041696 188279865 /nfs/dbraw/zinc/27/98/65/188279865.db2.gz POHUAUUGHCAMTM-SECBINFHSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](C(=O)N1CCC[C@H]1CN(C)C)[C@H](C)[NH3+] ZINC000252857655 353312210 /nfs/dbraw/zinc/31/22/10/353312210.db2.gz LLOUMQKGFNBOFO-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H](C(=O)NCCN1CCCCC1)[C@H](C)[NH3+] ZINC000165381313 353326344 /nfs/dbraw/zinc/32/63/44/353326344.db2.gz NAWJRUGVSFKBAI-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000253232421 353327034 /nfs/dbraw/zinc/32/70/34/353327034.db2.gz FERDSJRTCNHISX-ZDCRXTMVSA-N 1 3 227.352 0.474 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639043784 353329019 /nfs/dbraw/zinc/32/90/19/353329019.db2.gz ZFBIUNRZXGDCRR-XYPYZODXSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N1CCCN(C(=O)CC[NH3+])CC1 ZINC000108329442 188325053 /nfs/dbraw/zinc/32/50/53/188325053.db2.gz FQHFLJKTYUBQBC-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CC(C)[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041682 188325113 /nfs/dbraw/zinc/32/51/13/188325113.db2.gz AVJZRQMQIBXMFQ-LBPRGKRZSA-N 1 3 241.379 0.959 20 0 BCADHO CO[C@@H](CNC[C@@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049024 353339925 /nfs/dbraw/zinc/33/99/25/353339925.db2.gz GSMLYRXEBYMQCW-OLZOCXBDSA-N 1 3 244.379 0.704 20 0 BCADHO CO[C@@H](CNC[C@@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049024 353339926 /nfs/dbraw/zinc/33/99/26/353339926.db2.gz GSMLYRXEBYMQCW-OLZOCXBDSA-N 1 3 244.379 0.704 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000132020078 353374558 /nfs/dbraw/zinc/37/45/58/353374558.db2.gz QLSPJOBNKIFZFP-WDEREUQCSA-N 1 3 227.352 0.762 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000236783714 188367480 /nfs/dbraw/zinc/36/74/80/188367480.db2.gz WGDRWWUYLKZHQC-FOGDFJRCSA-N 1 3 239.363 0.711 20 0 BCADHO CO[C@@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639091141 353452301 /nfs/dbraw/zinc/45/23/01/353452301.db2.gz MHAQSODLPLEGAL-NSHDSACASA-N 1 3 244.379 0.846 20 0 BCADHO COCCN(C)CCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000343301766 353467286 /nfs/dbraw/zinc/46/72/86/353467286.db2.gz JFKLYYRADOPARY-CHWSQXEVSA-N 1 3 243.395 0.494 20 0 BCADHO COCCOC[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572497112 324134101 /nfs/dbraw/zinc/13/41/01/324134101.db2.gz BZAZYVOBCBQIMJ-QJPTWQEYSA-N 1 3 230.352 0.897 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174334 353472180 /nfs/dbraw/zinc/47/21/80/353472180.db2.gz DCOLRPRIGZQOBA-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000295334313 188393649 /nfs/dbraw/zinc/39/36/49/188393649.db2.gz ZTSCDYQIQZWYBZ-CHWSQXEVSA-N 1 3 249.358 0.656 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000574986412 353513931 /nfs/dbraw/zinc/51/39/31/353513931.db2.gz ILVKXRTZEVNHHF-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO COCCCN(C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192120244 353543898 /nfs/dbraw/zinc/54/38/98/353543898.db2.gz KSANWLZMZJMFJR-QWRGUYRKSA-N 1 3 245.367 0.054 20 0 BCADHO COCCCN(C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000193318946 353583771 /nfs/dbraw/zinc/58/37/71/353583771.db2.gz KKDMKZHVNADOTN-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000193300704 353589984 /nfs/dbraw/zinc/58/99/84/353589984.db2.gz JZAVKZAMWUQQRZ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CCNC(=O)CC[C@H](C)[NH3+])C1CC1 ZINC000193309283 353590049 /nfs/dbraw/zinc/59/00/49/353590049.db2.gz NEFAUEYDEDOURP-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](O)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000398467490 363246058 /nfs/dbraw/zinc/24/60/58/363246058.db2.gz COFIXQMEHMKRTH-QWHCGFSZSA-N 1 3 244.379 0.584 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000083835294 353702977 /nfs/dbraw/zinc/70/29/77/353702977.db2.gz WGISDMCTKVQNQF-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000083835294 353702978 /nfs/dbraw/zinc/70/29/78/353702978.db2.gz WGISDMCTKVQNQF-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](C(=O)NC1CC([NH+](C)C)C1)N(C)C ZINC000622009026 370661118 /nfs/dbraw/zinc/66/11/18/370661118.db2.gz HFXRIPPENOBMPG-ILDUYXDCSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000627096887 363257683 /nfs/dbraw/zinc/25/76/83/363257683.db2.gz FOCFDDOHPOSSAH-BBBLOLIVSA-N 1 3 228.340 0.116 20 0 BCADHO CCC[NH+](CCC)CCCNC(=O)[C@@H](C)N ZINC000165834111 353739069 /nfs/dbraw/zinc/73/90/69/353739069.db2.gz JSMNNYPRGXYVIA-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000627106040 363265008 /nfs/dbraw/zinc/26/50/08/363265008.db2.gz FWCFRZOSSFQZJS-MXWKQRLJSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000627106037 363264474 /nfs/dbraw/zinc/26/44/74/363264474.db2.gz FWCFRZOSSFQZJS-GMTAPVOTSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000343437016 353886309 /nfs/dbraw/zinc/88/63/09/353886309.db2.gz MZCVDMQWJTUQIA-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000343442083 353889261 /nfs/dbraw/zinc/88/92/61/353889261.db2.gz RMBWKUFHDRSXQH-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)CN1 ZINC000343446998 353891004 /nfs/dbraw/zinc/89/10/04/353891004.db2.gz YVRKKQFSIVXJAJ-DDHJBXDOSA-N 1 3 239.363 0.583 20 0 BCADHO NC[C@@H](C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454356 366125719 /nfs/dbraw/zinc/12/57/19/366125719.db2.gz QMLHQFXUVKTPHK-NWDGAFQWSA-N 1 3 233.315 0.207 20 0 BCADHO CO[C@H](C)C[N@H+](C)CCCN(C)CCN(C)C ZINC000344024446 354085391 /nfs/dbraw/zinc/08/53/91/354085391.db2.gz IKYPSYFGQFTQKY-CYBMUJFWSA-N 1 3 245.411 0.837 20 0 BCADHO CO[C@H](C)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000344024446 354085393 /nfs/dbraw/zinc/08/53/93/354085393.db2.gz IKYPSYFGQFTQKY-CYBMUJFWSA-N 1 3 245.411 0.837 20 0 BCADHO CC(=O)N1CCN(CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000334572662 354101430 /nfs/dbraw/zinc/10/14/30/354101430.db2.gz IPBJLFVJPTVNPZ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1C[C@H](C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000344182382 354176131 /nfs/dbraw/zinc/17/61/31/354176131.db2.gz HKZXGRTXHIPVSQ-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@H]1C[C@H](C(=O)NCCN(C)C)CC[N@H+]1C ZINC000344182382 354176134 /nfs/dbraw/zinc/17/61/34/354176134.db2.gz HKZXGRTXHIPVSQ-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449709632 202006683 /nfs/dbraw/zinc/00/66/83/202006683.db2.gz ZTEOBXXIYQOUNJ-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N(C)C ZINC000449723772 202009615 /nfs/dbraw/zinc/00/96/15/202009615.db2.gz MEJWKWBDAFGUBC-SRVKXCTJSA-N 1 3 241.379 0.816 20 0 BCADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000334581125 354198860 /nfs/dbraw/zinc/19/88/60/354198860.db2.gz LXYXRPLUQMIVPS-DTWKUNHWSA-N 1 3 247.289 0.242 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750834 202019918 /nfs/dbraw/zinc/01/99/18/202019918.db2.gz WTPASDNGZHJORG-IUCAKERBSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](CN1CCOCC1)N1CC[C@@](C)(C[NH3+])C1 ZINC000578013524 366180240 /nfs/dbraw/zinc/18/02/40/366180240.db2.gz RJWSQKWNLQNJHU-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@](C)(CN)C1 ZINC000578013524 366180243 /nfs/dbraw/zinc/18/02/43/366180243.db2.gz RJWSQKWNLQNJHU-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](CN1CCOCC1)[N@H+]1CC[C@@](C)(CN)C1 ZINC000578013524 366180250 /nfs/dbraw/zinc/18/02/50/366180250.db2.gz RJWSQKWNLQNJHU-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000334659605 354456691 /nfs/dbraw/zinc/45/66/91/354456691.db2.gz AYNLVZRDFSMIDZ-NSHDSACASA-N 1 3 237.347 0.565 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]([NH3+])C2CCC2)CCN1 ZINC000334659831 354456932 /nfs/dbraw/zinc/45/69/32/354456932.db2.gz CUOLZBOZMWYXBQ-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO CN(C(=O)C1([NH3+])CC1)[C@H]1CCN(C2CC2)C1 ZINC000334660377 354459247 /nfs/dbraw/zinc/45/92/47/354459247.db2.gz FLALZGRVSSMTLN-JTQLQIEISA-N 1 3 223.320 0.173 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000334662477 354462876 /nfs/dbraw/zinc/46/28/76/354462876.db2.gz DQDFFUVZTHZQOH-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CN(CCCCO)C[C@@H]1CCC[NH2+]C1 ZINC000234276128 363418107 /nfs/dbraw/zinc/41/81/07/363418107.db2.gz OGUWLQCNGPCDIQ-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO C[N@H+](CCCCO)C[C@@H]1CCCNC1 ZINC000234276128 363418112 /nfs/dbraw/zinc/41/81/12/363418112.db2.gz OGUWLQCNGPCDIQ-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO C[N@@H+](CCCCO)C[C@@H]1CCCNC1 ZINC000234276128 363418119 /nfs/dbraw/zinc/41/81/19/363418119.db2.gz OGUWLQCNGPCDIQ-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO CC[C@@H](C(=O)NCCOCC[NH+](C)C)N(C)C ZINC000346004739 354837861 /nfs/dbraw/zinc/83/78/61/354837861.db2.gz LGFNSHYBJQSJJD-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN1C ZINC000235469378 363445501 /nfs/dbraw/zinc/44/55/01/363445501.db2.gz CYKDOZDUCXFPPU-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750352 202020985 /nfs/dbraw/zinc/02/09/85/202020985.db2.gz IRYVKFHOODGZJC-PSASIEDQSA-N 1 3 225.336 0.384 20 0 BCADHO C[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000166066202 355005832 /nfs/dbraw/zinc/00/58/32/355005832.db2.gz BQHCATAPDPDXBB-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000166066202 355005834 /nfs/dbraw/zinc/00/58/34/355005834.db2.gz BQHCATAPDPDXBB-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000166067503 355012053 /nfs/dbraw/zinc/01/20/53/355012053.db2.gz BQHCATAPDPDXBB-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000166067503 355012058 /nfs/dbraw/zinc/01/20/58/355012058.db2.gz BQHCATAPDPDXBB-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000335183219 355081286 /nfs/dbraw/zinc/08/12/86/355081286.db2.gz DFXIFKRMUGCTDY-WDEREUQCSA-N 1 3 237.347 0.326 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040503603 358493959 /nfs/dbraw/zinc/49/39/59/358493959.db2.gz GHTHKXZUQYQZOI-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO COC(=O)[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346830206 355128937 /nfs/dbraw/zinc/12/89/37/355128937.db2.gz KEFQTFQGADACJW-MNOVXSKESA-N 1 3 226.320 0.481 20 0 BCADHO CC[C@@H]1CN(CC(C)(C)[NH3+])CCN1C[C@H](C)O ZINC000346844846 355135939 /nfs/dbraw/zinc/13/59/39/355135939.db2.gz LWQDZXSZQVDQOW-NWDGAFQWSA-N 1 3 243.395 0.501 20 0 BCADHO CC1(C)CN(C(=O)NC[C@H]([NH3+])C2CC2)CCN1 ZINC000335240770 355152856 /nfs/dbraw/zinc/15/28/56/355152856.db2.gz PDKUCIJAIGMFJF-JTQLQIEISA-N 1 3 240.351 0.117 20 0 BCADHO CCN1CCC[C@H](NC(=O)CCC[NH2+]C)C1 ZINC000040503658 358494425 /nfs/dbraw/zinc/49/44/25/358494425.db2.gz VGGXEQNTEUBUKX-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CCOCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113515884 355253076 /nfs/dbraw/zinc/25/30/76/355253076.db2.gz NDISXYAXDOMUDH-NSHDSACASA-N 1 3 200.326 0.906 20 0 BCADHO CCOCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113515884 355253081 /nfs/dbraw/zinc/25/30/81/355253081.db2.gz NDISXYAXDOMUDH-NSHDSACASA-N 1 3 200.326 0.906 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)N(C)C ZINC000413344910 191373893 /nfs/dbraw/zinc/37/38/93/191373893.db2.gz XEKOHBNCLKVFOR-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)N(C)C ZINC000413344915 191374261 /nfs/dbraw/zinc/37/42/61/191374261.db2.gz XEKOHBNCLKVFOR-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO [NH3+]C1(CC(=O)NCCN2CCCCC2)CCC1 ZINC000094295203 487527643 /nfs/dbraw/zinc/52/76/43/487527643.db2.gz OQFDNCXYFLHHKY-UHFFFAOYSA-N 1 3 239.363 0.860 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000353240967 355417750 /nfs/dbraw/zinc/41/77/50/355417750.db2.gz BOMNQIAHXYFRRP-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000353240967 355417753 /nfs/dbraw/zinc/41/77/53/355417753.db2.gz BOMNQIAHXYFRRP-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335820993 355539425 /nfs/dbraw/zinc/53/94/25/355539425.db2.gz HNRNNKKJZFBCPB-QWRGUYRKSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000349961597 355540810 /nfs/dbraw/zinc/54/08/10/355540810.db2.gz MSQAIHWARFVKMD-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO O=C(Nc1ccc2c(c1)CNCC2)[C@H]1CC[NH2+]1 ZINC000335822646 355542843 /nfs/dbraw/zinc/54/28/43/355542843.db2.gz UTLSSCSAZCYPQT-GFCCVEGCSA-N 1 3 231.299 0.633 20 0 BCADHO FC(F)[C@H]1CNCCN1C[C@H]1CCC[NH2+]C1 ZINC000583630698 355940558 /nfs/dbraw/zinc/94/05/58/355940558.db2.gz PBDARNWFSPXIAJ-VHSXEESVSA-N 1 3 233.306 0.525 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@@]1(C)C[NH3+] ZINC000417851849 191936487 /nfs/dbraw/zinc/93/64/87/191936487.db2.gz YQVHYROPROIZNZ-NTZNESFSSA-N 1 3 239.363 0.572 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000583640979 355947315 /nfs/dbraw/zinc/94/73/15/355947315.db2.gz AIWMRGFVJHFQJW-LMLFDSFASA-N 1 3 214.309 0.260 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000167194178 355968569 /nfs/dbraw/zinc/96/85/69/355968569.db2.gz IMZACFKZTYHTHS-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000167194178 355968570 /nfs/dbraw/zinc/96/85/70/355968570.db2.gz IMZACFKZTYHTHS-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)CNCCOC ZINC000167198913 355969749 /nfs/dbraw/zinc/96/97/49/355969749.db2.gz SPNUYTMKJIAADH-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CNCCOC ZINC000167198913 355969752 /nfs/dbraw/zinc/96/97/52/355969752.db2.gz SPNUYTMKJIAADH-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO C[C@@H](CNC(=O)NCC1([NH3+])CCC1)N(C)C ZINC000418263964 192009006 /nfs/dbraw/zinc/00/90/06/192009006.db2.gz SAEXALWBRMXQGY-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])N(C)C ZINC000418263008 192009299 /nfs/dbraw/zinc/00/92/99/192009299.db2.gz RHXANMXFSXWUBN-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000418270882 192009867 /nfs/dbraw/zinc/00/98/67/192009867.db2.gz ZIFQDIUORQPOGY-MNOVXSKESA-N 1 3 244.383 0.753 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000418267341 192009915 /nfs/dbraw/zinc/00/99/15/192009915.db2.gz WJKGADGQYGOEEE-GARJFASQSA-N 1 3 242.367 0.315 20 0 BCADHO CN(CCN1CCCC1)C(=O)NCCC[NH3+] ZINC000418306466 192021565 /nfs/dbraw/zinc/02/15/65/192021565.db2.gz BFWPYNGYWUDKBL-UHFFFAOYSA-N 1 3 228.340 0.072 20 0 BCADHO CCN(C)C(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420294133 192203918 /nfs/dbraw/zinc/20/39/18/192203918.db2.gz SLIWOBNOTXABAX-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299669 192207414 /nfs/dbraw/zinc/20/74/14/192207414.db2.gz BGFVJVVUQSUFBK-QJPTWQEYSA-N 1 3 240.347 0.997 20 0 BCADHO COC(=O)CC1(CN2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000420300970 192206323 /nfs/dbraw/zinc/20/63/23/192206323.db2.gz DLTWVAOJCKYCRS-QWRGUYRKSA-N 1 3 240.347 0.999 20 0 BCADHO CCN(C)C(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000420319545 192195558 /nfs/dbraw/zinc/19/55/58/192195558.db2.gz XQXGDNGVRAOGPR-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCOC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000420303533 192206787 /nfs/dbraw/zinc/20/67/87/192206787.db2.gz KOFSNAGKMLGBBL-NSHDSACASA-N 1 3 216.325 0.903 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127627 134093215 /nfs/dbraw/zinc/09/32/15/134093215.db2.gz GAVWISNBIFVIQU-PSASIEDQSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)OC(=O)CCN1CCC(C[NH3+])CC1 ZINC000420276203 192198790 /nfs/dbraw/zinc/19/87/90/192198790.db2.gz RJASJXACPIBQHM-UHFFFAOYSA-N 1 3 228.336 0.999 20 0 BCADHO CCOC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000420291931 192202939 /nfs/dbraw/zinc/20/29/39/192202939.db2.gz OPFFSRDJMUQDAM-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO NC(=O)[C@@H]1CCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919246 181268048 /nfs/dbraw/zinc/26/80/48/181268048.db2.gz GWGBYWACNLWZSG-RYUDHWBXSA-N 1 3 239.363 0.716 20 0 BCADHO [NH3+]CCOCCN1CCC([C@H]2CCCO2)CC1 ZINC000420364957 192224405 /nfs/dbraw/zinc/22/44/05/192224405.db2.gz ROQQSLKBOCCLTB-CYBMUJFWSA-N 1 3 242.363 0.853 20 0 BCADHO CCC[C@H]1CN(C[C@H](C)[NH3+])CCN1CCOC ZINC000420363688 192224409 /nfs/dbraw/zinc/22/44/09/192224409.db2.gz BVXSHFRWYJGIEU-STQMWFEESA-N 1 3 243.395 0.766 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420391126 192236313 /nfs/dbraw/zinc/23/63/13/192236313.db2.gz YPEUKZBLBVIVQS-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420391126 192236314 /nfs/dbraw/zinc/23/63/14/192236314.db2.gz YPEUKZBLBVIVQS-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)OCCC[N@@H+]1CCCO[C@H](CN)C1 ZINC000420392415 192237346 /nfs/dbraw/zinc/23/73/46/192237346.db2.gz PMAOKEXXLFKUFN-GFCCVEGCSA-N 1 3 230.352 0.851 20 0 BCADHO CC(C)OCCC[N@H+]1CCCO[C@H](CN)C1 ZINC000420392415 192237349 /nfs/dbraw/zinc/23/73/49/192237349.db2.gz PMAOKEXXLFKUFN-GFCCVEGCSA-N 1 3 230.352 0.851 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351754216 535315853 /nfs/dbraw/zinc/31/58/53/535315853.db2.gz IMEJNBYVFHPDPJ-MXWKQRLJSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422948056 192510399 /nfs/dbraw/zinc/51/03/99/192510399.db2.gz ZIAQJPMIHLHRJZ-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684165 356600829 /nfs/dbraw/zinc/60/08/29/356600829.db2.gz SJHVFHWKROMYBI-LBPRGKRZSA-N 1 3 235.331 0.975 20 0 BCADHO C[C@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684165 356600833 /nfs/dbraw/zinc/60/08/33/356600833.db2.gz SJHVFHWKROMYBI-LBPRGKRZSA-N 1 3 235.331 0.975 20 0 BCADHO CC[C@H](C(N)=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757568 356663636 /nfs/dbraw/zinc/66/36/36/356663636.db2.gz HYAPWXNNPUAVNO-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H]1CCCN1C ZINC000627226737 363555442 /nfs/dbraw/zinc/55/54/42/363555442.db2.gz QZCIMYFBJQDNMF-UWVGGRQHSA-N 1 3 228.340 0.069 20 0 BCADHO CC[NH+]1CCC(N[C@@H](CCO)COC)CC1 ZINC000168057218 134155770 /nfs/dbraw/zinc/15/57/70/134155770.db2.gz QLYLEDSZHYQLRF-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000167719056 134153676 /nfs/dbraw/zinc/15/36/76/134153676.db2.gz WTVNYTVJYHHCAN-JQWIXIFHSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000167719056 134153677 /nfs/dbraw/zinc/15/36/77/134153677.db2.gz WTVNYTVJYHHCAN-JQWIXIFHSA-N 1 3 239.363 0.857 20 0 BCADHO O=C(NCCN1CCCCCC1)[C@H]1CC[NH2+]1 ZINC000384839818 356773651 /nfs/dbraw/zinc/77/36/51/356773651.db2.gz SEVXUTQTUWLUKE-LLVKDONJSA-N 1 3 225.336 0.341 20 0 BCADHO C[C@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373256 356882863 /nfs/dbraw/zinc/88/28/63/356882863.db2.gz YJRDYOPIXZDDFC-NXEZZACHSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373256 356882867 /nfs/dbraw/zinc/88/28/67/356882867.db2.gz YJRDYOPIXZDDFC-NXEZZACHSA-N 1 3 200.326 0.830 20 0 BCADHO CC[NH2+]CC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000071196432 325060271 /nfs/dbraw/zinc/06/02/71/325060271.db2.gz CVSZWIVCDJXECL-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639850464 356853214 /nfs/dbraw/zinc/85/32/14/356853214.db2.gz VRTGCOLOWDKMDW-AGIUHOORSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639850464 356853215 /nfs/dbraw/zinc/85/32/15/356853215.db2.gz VRTGCOLOWDKMDW-AGIUHOORSA-N 1 3 242.363 0.288 20 0 BCADHO CCCC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359381640 356888740 /nfs/dbraw/zinc/88/87/40/356888740.db2.gz BXNZRZKILKTZLA-OUAUKWLOSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679602 358512975 /nfs/dbraw/zinc/51/29/75/358512975.db2.gz JGQOTDUYIBQJHT-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000390406371 357097529 /nfs/dbraw/zinc/09/75/29/357097529.db2.gz BNMYPXDTMWHSKE-OPRDCNLKSA-N 1 3 213.325 0.357 20 0 BCADHO CCCN(C(=O)[C@H](C)NC)[C@H]1CC[NH2+]C1 ZINC000582430902 357148077 /nfs/dbraw/zinc/14/80/77/357148077.db2.gz LDCQTWXXVZKNTI-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000582724671 357372604 /nfs/dbraw/zinc/37/26/04/357372604.db2.gz CGHSZIONICYXPM-AXFHLTTASA-N 1 3 227.352 0.413 20 0 BCADHO CCOC[C@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000582490293 357319098 /nfs/dbraw/zinc/31/90/98/357319098.db2.gz ACPHNMAPTHDRNC-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@H]1CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000582490293 357319101 /nfs/dbraw/zinc/31/91/01/357319101.db2.gz ACPHNMAPTHDRNC-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@H]1CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000582490293 357319107 /nfs/dbraw/zinc/31/91/07/357319107.db2.gz ACPHNMAPTHDRNC-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000582605312 357349248 /nfs/dbraw/zinc/34/92/48/357349248.db2.gz PJNKCHMXJJABAM-CMPLNLGQSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@H](O)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000583079826 357473685 /nfs/dbraw/zinc/47/36/85/357473685.db2.gz NIZKBAUJMVBVST-RYUDHWBXSA-N 1 3 243.395 0.371 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)CCCCOC ZINC000397457825 357514605 /nfs/dbraw/zinc/51/46/05/357514605.db2.gz OEIRUWIOGYDWRG-LBPRGKRZSA-N 1 3 232.368 0.657 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)CCCCOC ZINC000397457825 357514608 /nfs/dbraw/zinc/51/46/08/357514608.db2.gz OEIRUWIOGYDWRG-LBPRGKRZSA-N 1 3 232.368 0.657 20 0 BCADHO CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)N ZINC000063122300 357529981 /nfs/dbraw/zinc/52/99/81/357529981.db2.gz IKXUPAAJXNQNEN-UHFFFAOYSA-N 1 3 227.352 0.524 20 0 BCADHO CC1(CNC(=O)[C@H]2C[C@H](F)CN2)CC[NH2+]CC1 ZINC000188801267 357587430 /nfs/dbraw/zinc/58/74/30/357587430.db2.gz LOHMYATYFIQPJL-VHSXEESVSA-N 1 3 243.326 0.192 20 0 BCADHO CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188854955 357592583 /nfs/dbraw/zinc/59/25/83/357592583.db2.gz WKTQFNSMCGGJRL-OUAUKWLOSA-N 1 3 245.342 0.533 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[NH+](C)C ZINC000040469076 357609139 /nfs/dbraw/zinc/60/91/39/357609139.db2.gz METUBBRXATXZKJ-DTWKUNHWSA-N 1 3 215.341 0.426 20 0 BCADHO CCn1nccc1CNCCOCC[NH+](C)C ZINC000231676716 357619677 /nfs/dbraw/zinc/61/96/77/357619677.db2.gz VMQQQIFXIFYYQT-UHFFFAOYSA-N 1 3 240.351 0.571 20 0 BCADHO Cc1nn(C)cc1CNCCOCC[NH+](C)C ZINC000231676064 357619712 /nfs/dbraw/zinc/61/97/12/357619712.db2.gz IGTJAXUOLNYOHX-UHFFFAOYSA-N 1 3 240.351 0.396 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000583262504 357749360 /nfs/dbraw/zinc/74/93/60/357749360.db2.gz HLVKSBVXNPWWBM-JBLDHEPKSA-N 1 3 235.331 0.408 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CSC[C@H]1C ZINC000397956239 357812461 /nfs/dbraw/zinc/81/24/61/357812461.db2.gz FGQFRJRXORRKJE-MXWKQRLJSA-N 1 3 232.393 0.640 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CSC[C@H]1C ZINC000397956239 357812462 /nfs/dbraw/zinc/81/24/62/357812462.db2.gz FGQFRJRXORRKJE-MXWKQRLJSA-N 1 3 232.393 0.640 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000086068859 357816246 /nfs/dbraw/zinc/81/62/46/357816246.db2.gz PSPWIKJLYQBVMW-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399074935 357894753 /nfs/dbraw/zinc/89/47/53/357894753.db2.gz PGBXTAREBUBFHU-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399074935 357894757 /nfs/dbraw/zinc/89/47/57/357894757.db2.gz PGBXTAREBUBFHU-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO N[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408569 357912990 /nfs/dbraw/zinc/91/29/90/357912990.db2.gz HGYUNELYNRMODO-JLLWLGSASA-N 1 3 239.363 0.748 20 0 BCADHO CC[C@@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000583754961 357934997 /nfs/dbraw/zinc/93/49/97/357934997.db2.gz YOOCZKZIYBIYAE-CHWSQXEVSA-N 1 3 247.342 0.808 20 0 BCADHO COC[C@@](C)(CO)[NH2+]CC[C@@H]1CCCN1C ZINC000639957651 357982135 /nfs/dbraw/zinc/98/21/35/357982135.db2.gz RIMIGPXGTWWCEI-NWDGAFQWSA-N 1 3 230.352 0.458 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000085975914 358001294 /nfs/dbraw/zinc/00/12/94/358001294.db2.gz UFVGVLUDSAAQAS-AXFHLTTASA-N 1 3 225.336 0.289 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000085975878 358001339 /nfs/dbraw/zinc/00/13/39/358001339.db2.gz FCVLIPUEYHCYAS-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085975878 358001341 /nfs/dbraw/zinc/00/13/41/358001341.db2.gz FCVLIPUEYHCYAS-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO C[NH2+]CCC1CCN([C@H]2CCNC2=O)CC1 ZINC000584530019 358041727 /nfs/dbraw/zinc/04/17/27/358041727.db2.gz IYOBHGWUMAVXBM-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH+](CC)CCCNC(=O)CNC1CC1 ZINC000037476893 358071234 /nfs/dbraw/zinc/07/12/34/358071234.db2.gz NHKXISZTZIJLQG-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485368 358073160 /nfs/dbraw/zinc/07/31/60/358073160.db2.gz NYGZQEJURMCWQC-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485368 358073162 /nfs/dbraw/zinc/07/31/62/358073162.db2.gz NYGZQEJURMCWQC-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC[NH2+]C(C)C ZINC000037618228 358084196 /nfs/dbraw/zinc/08/41/96/358084196.db2.gz OUAIMLQCIRXUIY-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO COCCN(C)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000223005871 358213870 /nfs/dbraw/zinc/21/38/70/358213870.db2.gz NONJGOKILBTKDM-NEPJUHHUSA-N 1 3 229.368 0.424 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCCCNC2=O)C1 ZINC000222935749 358216590 /nfs/dbraw/zinc/21/65/90/358216590.db2.gz RCJXWLXIKOHQNH-GMTAPVOTSA-N 1 3 225.336 0.515 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624499 358244222 /nfs/dbraw/zinc/24/42/22/358244222.db2.gz OGZXGRVPMIYRHT-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624499 358244226 /nfs/dbraw/zinc/24/42/26/358244226.db2.gz OGZXGRVPMIYRHT-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N)C1 ZINC000040624443 358244343 /nfs/dbraw/zinc/24/43/43/358244343.db2.gz AGWAACZGTXWJKZ-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)N)C1 ZINC000040624443 358244346 /nfs/dbraw/zinc/24/43/46/358244346.db2.gz AGWAACZGTXWJKZ-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768212 358245486 /nfs/dbraw/zinc/24/54/86/358245486.db2.gz LPZLCYANJRIJMO-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[NH+]1CCC(NC(=O)CNC2CC2)CC1 ZINC000040829717 358246774 /nfs/dbraw/zinc/24/67/74/358246774.db2.gz UXFAIPGKGXFPRO-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)C[C@@H](CNC(=O)CNC1CC1)[NH+](C)C ZINC000040831337 358246843 /nfs/dbraw/zinc/24/68/43/358246843.db2.gz BXTJGHLXQDRHTH-LBPRGKRZSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CCNC(=O)[C@@H](C)C[NH3+])C1CC1 ZINC000218864204 134265019 /nfs/dbraw/zinc/26/50/19/134265019.db2.gz NPSFJTZLFIJDHK-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CNCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232484 491128499 /nfs/dbraw/zinc/12/84/99/491128499.db2.gz CBTHRVVCKBWRNQ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[NH2+]CC1CC1 ZINC000041680230 358333649 /nfs/dbraw/zinc/33/36/49/358333649.db2.gz QLWSAAGDXGTYMW-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCNC(=O)CC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173901413 134278228 /nfs/dbraw/zinc/27/82/28/134278228.db2.gz HAGMTVUPSSNWNP-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCNC(=O)CC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173901413 134278229 /nfs/dbraw/zinc/27/82/29/134278229.db2.gz HAGMTVUPSSNWNP-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538900 358389844 /nfs/dbraw/zinc/38/98/44/358389844.db2.gz RWYFXNVGNQFAJG-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538900 358389848 /nfs/dbraw/zinc/38/98/48/358389848.db2.gz RWYFXNVGNQFAJG-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000044538943 358391166 /nfs/dbraw/zinc/39/11/66/358391166.db2.gz PRJIWIYCOXEFBS-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000044538943 358391170 /nfs/dbraw/zinc/39/11/70/358391170.db2.gz PRJIWIYCOXEFBS-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044539001 358391207 /nfs/dbraw/zinc/39/12/07/358391207.db2.gz OPSVMRKQUWZLCQ-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044539001 358391209 /nfs/dbraw/zinc/39/12/09/358391209.db2.gz OPSVMRKQUWZLCQ-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)C(C)(C)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230385214 358397482 /nfs/dbraw/zinc/39/74/82/358397482.db2.gz RUVSKRSVOVEPFI-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000230385214 358397483 /nfs/dbraw/zinc/39/74/83/358397483.db2.gz RUVSKRSVOVEPFI-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCSCC2)C1 ZINC000230931757 358412857 /nfs/dbraw/zinc/41/28/57/358412857.db2.gz GSFYNXLOQXYGMN-NWDGAFQWSA-N 1 3 243.420 0.895 20 0 BCADHO CCCN(CCN(C)C)C(=O)C(C)(C)C[NH3+] ZINC000045708951 358416089 /nfs/dbraw/zinc/41/60/89/358416089.db2.gz JWIXYFAAEFSUPD-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526687 358550676 /nfs/dbraw/zinc/55/06/76/358550676.db2.gz KXPMXLDSRQXAKS-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NCCN1CCCCC1 ZINC000044806748 358554326 /nfs/dbraw/zinc/55/43/26/358554326.db2.gz DMQXTBBGDZRHNK-LBPRGKRZSA-N 1 3 241.379 0.819 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC1CCN(C)CC1 ZINC000044800960 358554555 /nfs/dbraw/zinc/55/45/55/358554555.db2.gz BWHVAGKZODQXQB-NSHDSACASA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000086270941 358566470 /nfs/dbraw/zinc/56/64/70/358566470.db2.gz NKXAOXKRVZWAIE-ONGXEEELSA-N 1 3 225.336 0.195 20 0 BCADHO CC[NH+]1CCC(NCCc2ncn(C)n2)CC1 ZINC000127844235 358567439 /nfs/dbraw/zinc/56/74/39/358567439.db2.gz PKRCRRSTVIRDIV-UHFFFAOYSA-N 1 3 237.351 0.432 20 0 BCADHO Cn1nncc1CNCC1CC[NH+](C)CC1 ZINC000129750675 358595790 /nfs/dbraw/zinc/59/57/90/358595790.db2.gz HXRHZXDUFXMCNQ-UHFFFAOYSA-N 1 3 223.324 0.247 20 0 BCADHO [NH3+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000131205730 358665666 /nfs/dbraw/zinc/66/56/66/358665666.db2.gz ZKKALDHEBSCLAA-KOLCDFICSA-N 1 3 229.299 0.028 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C1(N)CCCC1 ZINC000049559764 358695338 /nfs/dbraw/zinc/69/53/38/358695338.db2.gz BXXOFYRMMGIESI-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CNCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000564082804 358849167 /nfs/dbraw/zinc/84/91/67/358849167.db2.gz ASSHAIATPXGPQH-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCn2ccnc2)C1 ZINC000086403534 358967485 /nfs/dbraw/zinc/96/74/85/358967485.db2.gz KNBMMQXWCDCQTK-WDEREUQCSA-N 1 3 208.309 0.743 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCn2ccnc2)C1 ZINC000086403536 358967561 /nfs/dbraw/zinc/96/75/61/358967561.db2.gz KNBMMQXWCDCQTK-QWRGUYRKSA-N 1 3 208.309 0.743 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCOC1 ZINC000308820113 491138408 /nfs/dbraw/zinc/13/84/08/491138408.db2.gz GFXQQFIBKDJPIF-QJPTWQEYSA-N 1 3 210.321 0.564 20 0 BCADHO OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246489946 359121076 /nfs/dbraw/zinc/12/10/76/359121076.db2.gz HBLRCYCVDMDGMP-DGCLKSJQSA-N 1 3 224.348 0.927 20 0 BCADHO OCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246489946 359121077 /nfs/dbraw/zinc/12/10/77/359121077.db2.gz HBLRCYCVDMDGMP-DGCLKSJQSA-N 1 3 224.348 0.927 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000423491727 192794310 /nfs/dbraw/zinc/79/43/10/192794310.db2.gz ZQUIJEAQTKVJKX-VWYCJHECSA-N 1 3 247.333 0.961 20 0 BCADHO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C12CCCN1CCC2 ZINC000423590033 192816070 /nfs/dbraw/zinc/81/60/70/192816070.db2.gz DDIZDNRBGLDCOI-TXEJJXNPSA-N 1 3 249.358 0.293 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423975433 192851403 /nfs/dbraw/zinc/85/14/03/192851403.db2.gz MCRAOZZNDATKGC-DGCLKSJQSA-N 1 3 241.379 0.772 20 0 BCADHO CN(CC[NH3+])C(=O)[C@@H](N)CC1CCCCC1 ZINC000424000664 192852317 /nfs/dbraw/zinc/85/23/17/192852317.db2.gz MGLXREKBAXALPX-NSHDSACASA-N 1 3 227.352 0.701 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430617045 192881334 /nfs/dbraw/zinc/88/13/34/192881334.db2.gz JPSOKVUTWIHEKT-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO C[N@@H+]1CC[C@@H](NCC2(CO)COC2)CC1(C)C ZINC000623469686 359742662 /nfs/dbraw/zinc/74/26/62/359742662.db2.gz LFXKSOGGRLYKRE-LLVKDONJSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@H+]1CC[C@@H](NCC2(CO)COC2)CC1(C)C ZINC000623469686 359742667 /nfs/dbraw/zinc/74/26/67/359742667.db2.gz LFXKSOGGRLYKRE-LLVKDONJSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@@H+]1CC[C@H](NCC2(CO)COC2)CC1(C)C ZINC000623469687 359743048 /nfs/dbraw/zinc/74/30/48/359743048.db2.gz LFXKSOGGRLYKRE-NSHDSACASA-N 1 3 242.363 0.458 20 0 BCADHO C[N@H+]1CC[C@H](NCC2(CO)COC2)CC1(C)C ZINC000623469687 359743055 /nfs/dbraw/zinc/74/30/55/359743055.db2.gz LFXKSOGGRLYKRE-NSHDSACASA-N 1 3 242.363 0.458 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578364845 366539733 /nfs/dbraw/zinc/53/97/33/366539733.db2.gz KUZCANZJRPBDQN-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C(=O)NC ZINC000578522771 366588878 /nfs/dbraw/zinc/58/88/78/366588878.db2.gz WQJBOHXNGXJCLS-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO C[N@@H+]1CC[C@H](NC2(CO)CC2)CC1(C)C ZINC000623471484 359876875 /nfs/dbraw/zinc/87/68/75/359876875.db2.gz AMUASDODXPIQFT-JTQLQIEISA-N 1 3 212.337 0.974 20 0 BCADHO C[N@H+]1CC[C@H](NC2(CO)CC2)CC1(C)C ZINC000623471484 359876880 /nfs/dbraw/zinc/87/68/80/359876880.db2.gz AMUASDODXPIQFT-JTQLQIEISA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000578631052 366614022 /nfs/dbraw/zinc/61/40/22/366614022.db2.gz OCAGDRRPDXBYEN-GHMZBOCLSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000087526197 359916951 /nfs/dbraw/zinc/91/69/51/359916951.db2.gz JVHKYINWXHRIJD-NEPJUHHUSA-N 1 3 239.363 0.524 20 0 BCADHO CCN1CCC(NC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000087528755 359917897 /nfs/dbraw/zinc/91/78/97/359917897.db2.gz DPSIORRIBVNNON-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[NH+]1CCC(N(C)C(=O)C2(N)CC2)CC1 ZINC000088130411 359938466 /nfs/dbraw/zinc/93/84/66/359938466.db2.gz YYGURIPWORNGBM-UHFFFAOYSA-N 1 3 239.363 0.809 20 0 BCADHO C[NH+](C)C1(CNC(=O)C2(N)CC2)CCCCC1 ZINC000088130751 359938777 /nfs/dbraw/zinc/93/87/77/359938777.db2.gz CTYFACHRABYWAU-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)C[NH2+]C3CC3)[C@H]2C1 ZINC000578766060 366643600 /nfs/dbraw/zinc/64/36/00/366643600.db2.gz BVGJGFRNMMTYGO-PWSUYJOCSA-N 1 3 237.347 0.291 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CCCC[NH3+])[C@@H]2C1 ZINC000578766543 366643637 /nfs/dbraw/zinc/64/36/37/366643637.db2.gz ZLBLTTYXOMFAOG-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO CS[C@@H](C)CNC[C@H](O)C[NH+]1CCCC1 ZINC000122018799 360175874 /nfs/dbraw/zinc/17/58/74/360175874.db2.gz FDDUINQHYDCEPG-QWRGUYRKSA-N 1 3 232.393 0.784 20 0 BCADHO C[C@H](O)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000306588951 360494260 /nfs/dbraw/zinc/49/42/60/360494260.db2.gz WGPXBAIVRMIXDW-VLEAKVRGSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@H](O)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000306588951 360494262 /nfs/dbraw/zinc/49/42/62/360494262.db2.gz WGPXBAIVRMIXDW-VLEAKVRGSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407435 361055497 /nfs/dbraw/zinc/05/54/97/361055497.db2.gz ACXDNYALSGTKEW-DNIRFERGSA-N 1 3 223.364 0.809 20 0 BCADHO CCc1nn(C)cc1CNCCOCCC[NH3+] ZINC000629399438 361050016 /nfs/dbraw/zinc/05/00/16/361050016.db2.gz GMXHEPMDWVSFOF-UHFFFAOYSA-N 1 3 240.351 0.438 20 0 BCADHO Cc1ncsc1CNCCOCCC[NH3+] ZINC000629399932 361051139 /nfs/dbraw/zinc/05/11/39/361051139.db2.gz MLCHQICADDDWRN-UHFFFAOYSA-N 1 3 229.349 0.907 20 0 BCADHO [NH3+]CCCOCCNCc1cnc2cnccn12 ZINC000629400420 361051641 /nfs/dbraw/zinc/05/16/41/361051641.db2.gz WUIWDOMKBKNJFI-UHFFFAOYSA-N 1 3 249.318 0.184 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)CN1C1CC1 ZINC000629408656 361059222 /nfs/dbraw/zinc/05/92/22/361059222.db2.gz YBUHJOWKOKIDAU-MPPDQPJWSA-N 1 3 223.364 0.952 20 0 BCADHO COC[C@H](NCC1([NH3+])CCOCC1)C(C)C ZINC000629521371 361118251 /nfs/dbraw/zinc/11/82/51/361118251.db2.gz NSNYKRVLEDHYHM-NSHDSACASA-N 1 3 230.352 0.755 20 0 BCADHO Nc1ncccc1CN1CCC(C[NH3+])CC1 ZINC000629510816 361108720 /nfs/dbraw/zinc/10/87/20/361108720.db2.gz UZMREUWOMNDXAZ-UHFFFAOYSA-N 1 3 220.320 0.835 20 0 BCADHO CCn1nncc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629513293 361110695 /nfs/dbraw/zinc/11/06/95/361110695.db2.gz YURXPAYTANULSZ-GRYCIOLGSA-N 1 3 249.362 0.776 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1cccnc1 ZINC000629529971 361147905 /nfs/dbraw/zinc/14/79/05/361147905.db2.gz RSNOJTBEGLEHFW-NSHDSACASA-N 1 3 223.320 0.968 20 0 BCADHO [NH3+]C1(C(=O)N2CCCNCC2)CCCCC1 ZINC000035738344 181324535 /nfs/dbraw/zinc/32/45/35/181324535.db2.gz XOYOFYGDAXNEBF-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000629523887 361121848 /nfs/dbraw/zinc/12/18/48/361121848.db2.gz KZZUPXOPTCLTBO-DBIOUOCHSA-N 1 3 225.336 0.500 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000629523889 361121863 /nfs/dbraw/zinc/12/18/63/361121863.db2.gz KZZUPXOPTCLTBO-NAKRPEOUSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523583 361122169 /nfs/dbraw/zinc/12/21/69/361122169.db2.gz HVHGGWZCTSUZIM-XWLWVQCSSA-N 1 3 225.336 0.228 20 0 BCADHO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000629523392 361124603 /nfs/dbraw/zinc/12/46/03/361124603.db2.gz DUEFXVLWASTMMU-QEYWKRMJSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000629523392 361124609 /nfs/dbraw/zinc/12/46/09/361124609.db2.gz DUEFXVLWASTMMU-QEYWKRMJSA-N 1 3 211.309 0.110 20 0 BCADHO [NH3+]C1(C(=O)NCCN2CCCC2)CCCC1 ZINC000037479481 181326171 /nfs/dbraw/zinc/32/61/71/181326171.db2.gz ATHNQWALGJGGSJ-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO N[C@@H](C(=O)NCC1([NH3+])CCC1)C1CCC1 ZINC000579003775 366692648 /nfs/dbraw/zinc/69/26/48/366692648.db2.gz QNCVEHIXQXSAHT-SECBINFHSA-N 1 3 211.309 0.111 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004343 366692846 /nfs/dbraw/zinc/69/28/46/366692846.db2.gz HPZWQYFORJMXAR-KXNHARMFSA-N 1 3 228.336 0.386 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NC[C@H]2CC[C@@H](CO)O2)C1 ZINC000579004344 366693303 /nfs/dbraw/zinc/69/33/03/366693303.db2.gz HPZWQYFORJMXAR-QCNOEVLYSA-N 1 3 228.336 0.386 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000428426343 201016569 /nfs/dbraw/zinc/01/65/69/201016569.db2.gz ZIVSPINIJFUOTN-QWRGUYRKSA-N 1 3 227.352 0.393 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)N(CC)CC ZINC000428448341 201017366 /nfs/dbraw/zinc/01/73/66/201017366.db2.gz POWHPISUJQYZGR-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428439900 201018823 /nfs/dbraw/zinc/01/88/23/201018823.db2.gz NAPBNRDVJIQSPD-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](N)C1CCC1 ZINC000579228976 366739551 /nfs/dbraw/zinc/73/95/51/366739551.db2.gz UBZFMZNGVFACLK-KKZNHRDASA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000579228960 366739847 /nfs/dbraw/zinc/73/98/47/366739847.db2.gz SELHMWKVYDOOCH-CSMHCCOUSA-N 1 3 235.278 0.083 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000622044767 370676962 /nfs/dbraw/zinc/67/69/62/370676962.db2.gz RXVFYYFFOCQRML-UPJWGTAASA-N 1 3 239.363 0.714 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000622044767 370676967 /nfs/dbraw/zinc/67/69/67/370676967.db2.gz RXVFYYFFOCQRML-UPJWGTAASA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)C[NH3+] ZINC000428915353 201048973 /nfs/dbraw/zinc/04/89/73/201048973.db2.gz JAKCLDPSKYAFQL-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C(=O)NC1CC[NH2+]CC1)N(CC)CC ZINC000428755665 201041962 /nfs/dbraw/zinc/04/19/62/201041962.db2.gz ZWXLWIPCDURHHD-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000428904086 201046867 /nfs/dbraw/zinc/04/68/67/201046867.db2.gz YHELKBLMYWQECO-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000429142028 201071232 /nfs/dbraw/zinc/07/12/32/201071232.db2.gz MRIIOXKBRWLIMM-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000429141566 201073204 /nfs/dbraw/zinc/07/32/04/201073204.db2.gz KOILLEFETFHLCS-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000429142027 201073312 /nfs/dbraw/zinc/07/33/12/201073312.db2.gz MRIIOXKBRWLIMM-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429030686 201060838 /nfs/dbraw/zinc/06/08/38/201060838.db2.gz RVPQVZXHTBYWED-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH3+])N(CC)CC ZINC000429035053 201062118 /nfs/dbraw/zinc/06/21/18/201062118.db2.gz LKLCPBWYWQTAHB-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000335629251 181330266 /nfs/dbraw/zinc/33/02/66/181330266.db2.gz RBOJGKJBSYNYMV-UHFFFAOYSA-N 1 3 211.309 0.256 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H](C[NH3+])C1)N(CC)CC ZINC000429066337 201066246 /nfs/dbraw/zinc/06/62/46/201066246.db2.gz SRKLGVCIBXFVAE-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[NH2+]CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000429077095 201066499 /nfs/dbraw/zinc/06/64/99/201066499.db2.gz GJFDJZPDHBXFOO-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000429165249 201075591 /nfs/dbraw/zinc/07/55/91/201075591.db2.gz SHUKRAMJXDYTKW-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C1CCN(C)CC1 ZINC000429180140 201075957 /nfs/dbraw/zinc/07/59/57/201075957.db2.gz HSVWGJKHSHAMNR-LLVKDONJSA-N 1 3 227.352 0.428 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000429239478 201082755 /nfs/dbraw/zinc/08/27/55/201082755.db2.gz QPVCEONDNUEIFP-SRVKXCTJSA-N 1 3 241.379 0.831 20 0 BCADHO CN(C)C(=O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000429562205 201116855 /nfs/dbraw/zinc/11/68/55/201116855.db2.gz YYFUTSVBQLYJQY-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429562205 201116861 /nfs/dbraw/zinc/11/68/61/201116861.db2.gz YYFUTSVBQLYJQY-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429562205 201116863 /nfs/dbraw/zinc/11/68/63/201116863.db2.gz YYFUTSVBQLYJQY-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CN1CCC(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000429590989 201122577 /nfs/dbraw/zinc/12/25/77/201122577.db2.gz PTUZGKUQZYZQDW-LLVKDONJSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](NCCOCCC[NH3+])c1cnccc1N ZINC000629540620 361415247 /nfs/dbraw/zinc/41/52/47/361415247.db2.gz VUSNZKUSMNFANP-SNVBAGLBSA-N 1 3 238.335 0.510 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629546175 361427757 /nfs/dbraw/zinc/42/77/57/361427757.db2.gz OXUHRYAHHXSKNE-JHJVBQTASA-N 1 3 241.379 0.031 20 0 BCADHO C[C@@H](CCCCO)[NH2+][C@@H]1CCN[C@H]1C ZINC000629546616 361428811 /nfs/dbraw/zinc/42/88/11/361428811.db2.gz UTIDLRAJOOXTLG-GARJFASQSA-N 1 3 200.326 0.878 20 0 BCADHO Cc1nn(C)cc1[C@H](C)NCCOCCC[NH3+] ZINC000629541931 361417509 /nfs/dbraw/zinc/41/75/09/361417509.db2.gz ULCRNIMLBZUACR-JTQLQIEISA-N 1 3 240.351 0.745 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@H](OC)C1CCC1 ZINC000629570691 361460538 /nfs/dbraw/zinc/46/05/38/361460538.db2.gz BAMCIRIAGXTYPM-ZDUSSCGKSA-N 1 3 244.379 0.969 20 0 BCADHO C[NH2+]CCOCCN(C)CCc1cccnc1 ZINC000629569380 361461555 /nfs/dbraw/zinc/46/15/55/361461555.db2.gz BLARFNZCWZPBIN-UHFFFAOYSA-N 1 3 237.347 0.792 20 0 BCADHO C[NH2+]CCOCCN(C)[C@H](C)COC ZINC000629571945 361463946 /nfs/dbraw/zinc/46/39/46/361463946.db2.gz UOANQBZNSWVNEX-SNVBAGLBSA-N 1 3 204.314 0.189 20 0 BCADHO CO[C@H](CN(C)CCOCC[NH3+])C1CCC1 ZINC000629581347 361471428 /nfs/dbraw/zinc/47/14/28/361471428.db2.gz XERVYMXUZSHGAN-GFCCVEGCSA-N 1 3 230.352 0.709 20 0 BCADHO COC[C@]1(C)CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629594338 361486454 /nfs/dbraw/zinc/48/64/54/361486454.db2.gz ADOOGCKAZZZEPR-OLZOCXBDSA-N 1 3 242.363 0.723 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)N(C)C ZINC000629612699 361498863 /nfs/dbraw/zinc/49/88/63/361498863.db2.gz GKFSNMJRNAZIOM-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000629612501 361499321 /nfs/dbraw/zinc/49/93/21/361499321.db2.gz DLPULAFFFLUOKT-ZJUUUORDSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)N(C)C ZINC000629612462 361499495 /nfs/dbraw/zinc/49/94/95/361499495.db2.gz DCIKYSOAYMFIJY-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C)C1)N(C)C ZINC000629612507 361499562 /nfs/dbraw/zinc/49/95/62/361499562.db2.gz DLXYAASQOFJODU-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N(C)C ZINC000629612448 361499573 /nfs/dbraw/zinc/49/95/73/361499573.db2.gz CUTIGWUFOQZFSJ-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000629610974 361500510 /nfs/dbraw/zinc/50/05/10/361500510.db2.gz KOMYHQNEYMWRKU-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH3+])N(C)C ZINC000629611768 361501021 /nfs/dbraw/zinc/50/10/21/361501021.db2.gz FLNFUNUVDSCLKQ-BDAKNGLRSA-N 1 3 201.314 0.038 20 0 BCADHO CC[C@@H](C(=O)N1CCC([NH2+]C)CC1)N(C)C ZINC000629613001 361501417 /nfs/dbraw/zinc/50/14/17/361501417.db2.gz GPVXPMYSTIYZRM-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](C(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000629615564 361505744 /nfs/dbraw/zinc/50/57/44/361505744.db2.gz VDCRIBFIBWSSND-ILDUYXDCSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000629613064 361506937 /nfs/dbraw/zinc/50/69/37/361506937.db2.gz KWSOZAQIWRVJPX-OUAUKWLOSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)C ZINC000629613349 361507515 /nfs/dbraw/zinc/50/75/15/361507515.db2.gz OIPXQZXGRDXYKL-PWSUYJOCSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N(C)C ZINC000629613641 361507932 /nfs/dbraw/zinc/50/79/32/361507932.db2.gz PZUXJAVEPJMLJU-WZRBSPASSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)N(C)C ZINC000629613751 361508439 /nfs/dbraw/zinc/50/84/39/361508439.db2.gz SAZQKOFLEAVCAW-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C ZINC000629613800 361508492 /nfs/dbraw/zinc/50/84/92/361508492.db2.gz SXBIZNJXPSTPRP-YUMQZZPRSA-N 1 3 237.294 0.425 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](CC)N(C)C ZINC000629614380 361510054 /nfs/dbraw/zinc/51/00/54/361510054.db2.gz ZVXJZCVXXHQYRU-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000629614552 361510073 /nfs/dbraw/zinc/51/00/73/361510073.db2.gz HVPQOKGXJJUTDS-SECBINFHSA-N 1 3 215.341 0.522 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000163595466 361520572 /nfs/dbraw/zinc/52/05/72/361520572.db2.gz RTFREHCGZIXSED-RKDXNWHRSA-N 1 3 233.381 0.133 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)N(C)C ZINC000629612370 361497725 /nfs/dbraw/zinc/49/77/25/361497725.db2.gz AZUPNRYEAFHJGL-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO Cc1cnccc1CNCCN1CC[NH2+]CC1 ZINC000629648613 361542410 /nfs/dbraw/zinc/54/24/10/361542410.db2.gz XLTMYPSOXAFNCO-UHFFFAOYSA-N 1 3 234.347 0.385 20 0 BCADHO C[C@]1(C(=O)NC[C@@H](N)c2ccccc2)CC[NH2+]C1 ZINC000152089394 201188771 /nfs/dbraw/zinc/18/87/71/201188771.db2.gz QJIKIWBWOFIOPO-OCCSQVGLSA-N 1 3 247.342 0.802 20 0 BCADHO C[C@@]1(C(=O)NC[C@H](N)c2ccccc2)CC[NH2+]C1 ZINC000152089304 201189149 /nfs/dbraw/zinc/18/91/49/201189149.db2.gz QJIKIWBWOFIOPO-GXTWGEPZSA-N 1 3 247.342 0.802 20 0 BCADHO Cc1cnccc1CNCCOCCC[NH3+] ZINC000629677855 361600656 /nfs/dbraw/zinc/60/06/56/361600656.db2.gz HXJYTRHVASVLRA-UHFFFAOYSA-N 1 3 223.320 0.845 20 0 BCADHO CC(C)n1nccc1CNCCOCCC[NH3+] ZINC000629677830 361600839 /nfs/dbraw/zinc/60/08/39/361600839.db2.gz HQGRPEJSDBFEMQ-UHFFFAOYSA-N 1 3 240.351 0.919 20 0 BCADHO CCCCN(C)CCNC(=O)CC[C@H](C)[NH3+] ZINC000434678170 201232819 /nfs/dbraw/zinc/23/28/19/201232819.db2.gz CRTUJCIVPFVRPR-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CCCN(C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000434697570 201234161 /nfs/dbraw/zinc/23/41/61/201234161.db2.gz QEQCFDJBSJQIIU-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000434703491 201235581 /nfs/dbraw/zinc/23/55/81/201235581.db2.gz UISCCZSTPGPNRC-QJPTWQEYSA-N 1 3 241.379 0.829 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434707045 201236185 /nfs/dbraw/zinc/23/61/85/201236185.db2.gz PFZXBEVXLLRBQO-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434707044 201237118 /nfs/dbraw/zinc/23/71/18/201237118.db2.gz PFZXBEVXLLRBQO-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234203 201256810 /nfs/dbraw/zinc/25/68/10/201256810.db2.gz FNOABCWBHTVEJR-WDEREUQCSA-N 1 3 225.336 0.467 20 0 BCADHO CCC[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435234202 201256975 /nfs/dbraw/zinc/25/69/75/201256975.db2.gz FNOABCWBHTVEJR-QWRGUYRKSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154234813 201269444 /nfs/dbraw/zinc/26/94/44/201269444.db2.gz NSWYNXPHBZHRKT-AXFHLTTASA-N 1 3 227.352 0.569 20 0 BCADHO NC1(C(=O)NC2CCC([NH3+])CC2)CCCC1 ZINC000051694846 181341509 /nfs/dbraw/zinc/34/15/09/181341509.db2.gz XBKATKBJVKHTSE-UHFFFAOYSA-N 1 3 225.336 0.644 20 0 BCADHO CC[C@@H]1CN(CCC[NH2+]C)CCN1CCOC ZINC000435872542 201293911 /nfs/dbraw/zinc/29/39/11/201293911.db2.gz PIJHNPLQJANHSF-CYBMUJFWSA-N 1 3 243.395 0.639 20 0 BCADHO [NH3+]CC1(NC(=O)[C@]2(F)CCNC2)CCCC1 ZINC000371217404 181360508 /nfs/dbraw/zinc/36/05/08/181360508.db2.gz BBCFNVBVWZLAGX-NSHDSACASA-N 1 3 229.299 0.076 20 0 BCADHO [NH3+]CC1(NC(=O)[C@@]2(F)CCNC2)CCCC1 ZINC000371217403 181360826 /nfs/dbraw/zinc/36/08/26/181360826.db2.gz BBCFNVBVWZLAGX-LLVKDONJSA-N 1 3 229.299 0.076 20 0 BCADHO CC[C@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604500 364328534 /nfs/dbraw/zinc/32/85/34/364328534.db2.gz AQZRBWPOVWFXPU-BDAKNGLRSA-N 1 3 209.297 0.440 20 0 BCADHO CC[C@](C)(N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604489 364328662 /nfs/dbraw/zinc/32/86/62/364328662.db2.gz ALRSSPWUMSMGEW-ONGXEEELSA-N 1 3 223.324 0.614 20 0 BCADHO CC(C)(N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607302 364333281 /nfs/dbraw/zinc/33/32/81/364333281.db2.gz GDAXKJBADGEXLF-UHFFFAOYSA-N 1 3 231.303 0.920 20 0 BCADHO CCCN(C(=O)[C@H](C)NC)C1CC[NH2+]CC1 ZINC000579493817 366831886 /nfs/dbraw/zinc/83/18/86/366831886.db2.gz UIJUNEBAJHUOLA-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000573321849 364798162 /nfs/dbraw/zinc/79/81/62/364798162.db2.gz AIUUJWRPSYIMHR-AEJSXWLSSA-N 1 3 230.356 0.362 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000573266192 364790318 /nfs/dbraw/zinc/79/03/18/364790318.db2.gz WHFWDWUQDDOISW-GWCFXTLKSA-N 1 3 247.342 0.679 20 0 BCADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000573368577 364811895 /nfs/dbraw/zinc/81/18/95/364811895.db2.gz NPVFCLNWHTZWQU-LLVKDONJSA-N 1 3 227.352 0.666 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000573446129 364835690 /nfs/dbraw/zinc/83/56/90/364835690.db2.gz PLJOUUNFVCMIHV-SDDRHHMPSA-N 1 3 237.347 0.339 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000573487690 364845720 /nfs/dbraw/zinc/84/57/20/364845720.db2.gz JJTAVLNWGGFWTB-XCBNKYQSSA-N 1 3 237.294 0.603 20 0 BCADHO CN(C)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000069730029 541386205 /nfs/dbraw/zinc/38/62/05/541386205.db2.gz FEIMKBWEAANQBX-UHFFFAOYSA-N 1 3 213.325 0.135 20 0 BCADHO CC[NH2+]CC1CCN([C@H]2CCNC2=O)CC1 ZINC000573847654 364929752 /nfs/dbraw/zinc/92/97/52/364929752.db2.gz OUNDBROOQNFSSC-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH2+]CC1CCN([C@@H]2CCNC2=O)CC1 ZINC000573847648 364929781 /nfs/dbraw/zinc/92/97/81/364929781.db2.gz OUNDBROOQNFSSC-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](O)CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573860557 364933641 /nfs/dbraw/zinc/93/36/41/364933641.db2.gz XNRBFTVFQOTAQK-SDDRHHMPSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H](O)CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573860557 364933646 /nfs/dbraw/zinc/93/36/46/364933646.db2.gz XNRBFTVFQOTAQK-SDDRHHMPSA-N 1 3 212.337 0.926 20 0 BCADHO [NH3+]CCCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000362287438 181373630 /nfs/dbraw/zinc/37/36/30/181373630.db2.gz VRTQXJJOEKOWRH-UHFFFAOYSA-N 1 3 234.303 0.405 20 0 BCADHO C[C@](C[NH3+])(NC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000574400220 365054089 /nfs/dbraw/zinc/05/40/89/365054089.db2.gz CMMFHMRAKLLTIJ-OIBJUYFYSA-N 1 3 235.278 0.213 20 0 BCADHO NC[C@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000574401409 365054278 /nfs/dbraw/zinc/05/42/78/365054278.db2.gz KUQAPNCPYHIIJI-AGIUHOORSA-N 1 3 245.326 0.418 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)CSC)CC1 ZINC000574444081 365061672 /nfs/dbraw/zinc/06/16/72/365061672.db2.gz UPWDUSHHIRMSPH-NSHDSACASA-N 1 3 232.393 0.784 20 0 BCADHO COC[C@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000574311814 365035439 /nfs/dbraw/zinc/03/54/39/365035439.db2.gz BYTOSVVRCDJHKF-CHWSQXEVSA-N 1 3 244.379 0.848 20 0 BCADHO CC[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574527412 365083786 /nfs/dbraw/zinc/08/37/86/365083786.db2.gz CUALPMOPHGFVCM-SQLBVSGCSA-N 1 3 225.336 0.454 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000574548559 365087442 /nfs/dbraw/zinc/08/74/42/365087442.db2.gz IRGFKGPGWIYIHH-MNOVXSKESA-N 1 3 227.352 0.490 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000574548560 365088137 /nfs/dbraw/zinc/08/81/37/365088137.db2.gz IRGFKGPGWIYIHH-QWRGUYRKSA-N 1 3 227.352 0.490 20 0 BCADHO CSCC[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000574754618 365135912 /nfs/dbraw/zinc/13/59/12/365135912.db2.gz ICWYHKGDROKVKE-VIFPVBQESA-N 1 3 245.392 0.277 20 0 BCADHO CN[C@@H](C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000574650536 365113631 /nfs/dbraw/zinc/11/36/31/365113631.db2.gz CJONWIIZRUSOEQ-WCBMZHEXSA-N 1 3 248.330 0.444 20 0 BCADHO C[C@H](N)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814160 365145876 /nfs/dbraw/zinc/14/58/76/365145876.db2.gz CBJPBOVODMKQRT-QWRGUYRKSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H](N)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814160 365145881 /nfs/dbraw/zinc/14/58/81/365145881.db2.gz CBJPBOVODMKQRT-QWRGUYRKSA-N 1 3 222.336 0.632 20 0 BCADHO CN(C)CCN(C(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000444173881 193039452 /nfs/dbraw/zinc/03/94/52/193039452.db2.gz DVJSPKLNBPHDLJ-CYBMUJFWSA-N 1 3 247.342 0.943 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444167463 193040384 /nfs/dbraw/zinc/04/03/84/193040384.db2.gz LPHDRAPAWSMLGR-WCQYABFASA-N 1 3 237.347 0.198 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444269006 193043539 /nfs/dbraw/zinc/04/35/39/193043539.db2.gz SVIATWUEFQZOMC-HBNTYKKESA-N 1 3 227.352 0.618 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444262326 193043919 /nfs/dbraw/zinc/04/39/19/193043919.db2.gz ALPZNSCPDZQZFA-GHMZBOCLSA-N 1 3 227.352 0.762 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000575922255 365414946 /nfs/dbraw/zinc/41/49/46/365414946.db2.gz PJRFAKWATHTCQR-AOOOYVTPSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000579597161 366898884 /nfs/dbraw/zinc/89/88/84/366898884.db2.gz AVAFQZOLFYRKSM-BBBLOLIVSA-N 1 3 225.336 0.323 20 0 BCADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000576099223 365483185 /nfs/dbraw/zinc/48/31/85/365483185.db2.gz LHVYSLIYAJAWSB-HHHUOAJASA-N 1 3 228.336 0.506 20 0 BCADHO CC[C@@]1(NC[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085023 541513570 /nfs/dbraw/zinc/51/35/70/541513570.db2.gz JWMVNTCQNAQVIO-CHWSQXEVSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@@]1(NC[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085023 541513572 /nfs/dbraw/zinc/51/35/72/541513572.db2.gz JWMVNTCQNAQVIO-CHWSQXEVSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC[NH2+]C(C)(C)C ZINC000579706521 366985020 /nfs/dbraw/zinc/98/50/20/366985020.db2.gz LCFHNTREWZQJMX-SECBINFHSA-N 1 3 227.352 0.631 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000579709125 366986942 /nfs/dbraw/zinc/98/69/42/366986942.db2.gz WQZGUAMNRREDKW-SCZZXKLOSA-N 1 3 213.325 0.086 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000580726687 367151708 /nfs/dbraw/zinc/15/17/08/367151708.db2.gz ZTTZAMPYQVXOFH-RYUDHWBXSA-N 1 3 241.379 0.973 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CNC1CC1 ZINC000581180493 367285517 /nfs/dbraw/zinc/28/55/17/367285517.db2.gz PAJIJDMLELTJIJ-ONGXEEELSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000581370647 367401831 /nfs/dbraw/zinc/40/18/31/367401831.db2.gz PJLNSZYCCNKHDL-JFUSQASVSA-N 1 3 249.314 0.368 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)CNC1CC1 ZINC000382163711 367491556 /nfs/dbraw/zinc/49/15/56/367491556.db2.gz UIHDKMMZHBOWNR-UHFFFAOYSA-N 1 3 213.325 0.372 20 0 BCADHO CNCC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000381851234 367463221 /nfs/dbraw/zinc/46/32/21/367463221.db2.gz SOHVRWSDVCETDQ-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000382555813 367538273 /nfs/dbraw/zinc/53/82/73/367538273.db2.gz JOPWTJZSYKEBCR-GARJFASQSA-N 1 3 216.325 0.243 20 0 BCADHO CNCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000581549208 367578564 /nfs/dbraw/zinc/57/85/64/367578564.db2.gz DBLSBFKYXFWIID-NWDGAFQWSA-N 1 3 233.315 0.078 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC2CC2)C1 ZINC000382965266 367574977 /nfs/dbraw/zinc/57/49/77/367574977.db2.gz PUVXNAKOQUIRLR-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC2CC2)C1 ZINC000382965266 367574983 /nfs/dbraw/zinc/57/49/83/367574983.db2.gz PUVXNAKOQUIRLR-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000581547520 367575838 /nfs/dbraw/zinc/57/58/38/367575838.db2.gz GZOVZIGEFVZLDN-WCQYABFASA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC[NH+](C)C ZINC000383316378 367612646 /nfs/dbraw/zinc/61/26/46/367612646.db2.gz IVXNDFWVXVXKPB-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CN[C@@H](C)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000581617592 367637872 /nfs/dbraw/zinc/63/78/72/367637872.db2.gz WZBBVVSJTKHGBN-BMQDGWLCSA-N 1 3 225.336 0.324 20 0 BCADHO COC[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600683 367642933 /nfs/dbraw/zinc/64/29/33/367642933.db2.gz QCZWVLGCFBNUSA-OLZOCXBDSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600683 367642937 /nfs/dbraw/zinc/64/29/37/367642937.db2.gz QCZWVLGCFBNUSA-OLZOCXBDSA-N 1 3 244.379 0.702 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CC[NH2+]1 ZINC000384839431 367740096 /nfs/dbraw/zinc/74/00/96/367740096.db2.gz RTPLSBSASDPMJS-LLVKDONJSA-N 1 3 223.320 0.091 20 0 BCADHO C[N@H+](C[C@H](O)CNCCc1cccnc1)C1CC1 ZINC000386123812 367916212 /nfs/dbraw/zinc/91/62/12/367916212.db2.gz MXLXIYXSWWLCOE-CQSZACIVSA-N 1 3 249.358 0.669 20 0 BCADHO C[N@@H+](C[C@H](O)CNCCc1cccnc1)C1CC1 ZINC000386123812 367916217 /nfs/dbraw/zinc/91/62/17/367916217.db2.gz MXLXIYXSWWLCOE-CQSZACIVSA-N 1 3 249.358 0.669 20 0 BCADHO C[NH+](C)C[C@H](O)CNC[C@@H](O)CC1CCCC1 ZINC000566233420 326019762 /nfs/dbraw/zinc/01/97/62/326019762.db2.gz JPDRYCBIKYLHCM-QWHCGFSZSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@H]1CCCCN1 ZINC000386022004 367898792 /nfs/dbraw/zinc/89/87/92/367898792.db2.gz OVSFSHHCVITDHH-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH+](C)C[C@@H](O)CNC[C@@H](O)CC1CCCC1 ZINC000566233421 326019954 /nfs/dbraw/zinc/01/99/54/326019954.db2.gz JPDRYCBIKYLHCM-STQMWFEESA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)C1CCCC1 ZINC000386377108 367958926 /nfs/dbraw/zinc/95/89/26/367958926.db2.gz QYZQPKFJWFDZSC-QWHCGFSZSA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CO)C1CCCC1 ZINC000386377108 367958929 /nfs/dbraw/zinc/95/89/29/367958929.db2.gz QYZQPKFJWFDZSC-QWHCGFSZSA-N 1 3 244.379 0.440 20 0 BCADHO C[N@H+](C[C@@H](O)CNCCn1cccc1)C1CC1 ZINC000581998149 368101898 /nfs/dbraw/zinc/10/18/98/368101898.db2.gz XLVALHWPGBQKAW-ZDUSSCGKSA-N 1 3 237.347 0.533 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCCn1cccc1)C1CC1 ZINC000581998149 368101901 /nfs/dbraw/zinc/10/19/01/368101901.db2.gz XLVALHWPGBQKAW-ZDUSSCGKSA-N 1 3 237.347 0.533 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CCN1C ZINC000446369821 201684783 /nfs/dbraw/zinc/68/47/83/201684783.db2.gz OQVMXYUGNLLGJF-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO NC1(C(=O)NCC[C@H]2CCC[NH2+]2)CCC1 ZINC000566914016 326093555 /nfs/dbraw/zinc/09/35/55/326093555.db2.gz TYQQIJDTPKQAEK-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO C(CN1CCCCCC1)NC1=[NH+]CCCN1 ZINC000066245411 368642711 /nfs/dbraw/zinc/64/27/11/368642711.db2.gz KQABDHMWTVOIAK-UHFFFAOYSA-N 1 3 224.352 0.801 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)[NH3+])N1CCCC1 ZINC000083883704 368833781 /nfs/dbraw/zinc/83/37/81/368833781.db2.gz KIOWABPSVDDTOT-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N(C)C)C1 ZINC000072860470 368782814 /nfs/dbraw/zinc/78/28/14/368782814.db2.gz MFUYQDVJVZBSAQ-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000072860470 368782816 /nfs/dbraw/zinc/78/28/16/368782816.db2.gz MFUYQDVJVZBSAQ-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086402284 368879962 /nfs/dbraw/zinc/87/99/62/368879962.db2.gz JGWFZNCBHXXDBG-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404969934 369440844 /nfs/dbraw/zinc/44/08/44/369440844.db2.gz KMQCNHPCLUTCIU-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CCCC2=O)CC[N@@H+]1C ZINC000405427170 369459877 /nfs/dbraw/zinc/45/98/77/369459877.db2.gz HWZJCMGKDWSAPI-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CCCC2=O)CC[N@H+]1C ZINC000405427170 369459882 /nfs/dbraw/zinc/45/98/82/369459882.db2.gz HWZJCMGKDWSAPI-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000567820105 326263201 /nfs/dbraw/zinc/26/32/01/326263201.db2.gz FWCFRZOSSFQZJS-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000567846457 326269044 /nfs/dbraw/zinc/26/90/44/326269044.db2.gz CGHSZIONICYXPM-OUAUKWLOSA-N 1 3 227.352 0.413 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165319634 203383064 /nfs/dbraw/zinc/38/30/64/203383064.db2.gz GIGLMGBJAUIDLG-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165319634 203383067 /nfs/dbraw/zinc/38/30/67/203383067.db2.gz GIGLMGBJAUIDLG-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000567925610 326284083 /nfs/dbraw/zinc/28/40/83/326284083.db2.gz PDXAJSREPFPMBF-IVZWLZJFSA-N 1 3 245.392 0.324 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000567926251 326284590 /nfs/dbraw/zinc/28/45/90/326284590.db2.gz DRHOVVLZKQJHAN-RGOKHQFPSA-N 1 3 213.325 0.165 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000619900448 369631871 /nfs/dbraw/zinc/63/18/71/369631871.db2.gz VLNPZGXKIYKILX-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000619900448 369631877 /nfs/dbraw/zinc/63/18/77/369631877.db2.gz VLNPZGXKIYKILX-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051667 326300688 /nfs/dbraw/zinc/30/06/88/326300688.db2.gz XGXPTXXUORWXAK-JFGNBEQYSA-N 1 3 212.337 0.545 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051667 326300692 /nfs/dbraw/zinc/30/06/92/326300692.db2.gz XGXPTXXUORWXAK-JFGNBEQYSA-N 1 3 212.337 0.545 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051667 326300693 /nfs/dbraw/zinc/30/06/93/326300693.db2.gz XGXPTXXUORWXAK-JFGNBEQYSA-N 1 3 212.337 0.545 20 0 BCADHO CCN(CC)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621151567 370124288 /nfs/dbraw/zinc/12/42/88/370124288.db2.gz DJJMQPQRUXBKAW-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621153018 370125296 /nfs/dbraw/zinc/12/52/96/370125296.db2.gz JCMKNOFKDFBWIR-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)N1CC[NH2+][C@H](C(C)C)C1)N(C)C ZINC000621155839 370128684 /nfs/dbraw/zinc/12/86/84/370128684.db2.gz MZSWCCZLCWUSTN-RYUDHWBXSA-N 1 3 241.379 0.783 20 0 BCADHO COCCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252843652 370135737 /nfs/dbraw/zinc/13/57/37/370135737.db2.gz DFDJBXITIMRTCS-AVGNSLFASA-N 1 3 242.363 0.709 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1CCCCN1 ZINC000309620232 370236145 /nfs/dbraw/zinc/23/61/45/370236145.db2.gz GUHLYLCLQLYSMG-SNVBAGLBSA-N 1 3 213.325 0.244 20 0 BCADHO COCCSCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309650897 370240215 /nfs/dbraw/zinc/24/02/15/370240215.db2.gz OBHSSZZIRAGXCK-RYUDHWBXSA-N 1 3 244.404 0.907 20 0 BCADHO N[C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCC1 ZINC000621683100 370431334 /nfs/dbraw/zinc/43/13/34/370431334.db2.gz PYGYAVXQBXVTOO-GVXVVHGQSA-N 1 3 237.347 0.454 20 0 BCADHO NC1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCCC1 ZINC000621684328 370433830 /nfs/dbraw/zinc/43/38/30/370433830.db2.gz KSEWUXQBNJFMNK-MFKMUULPSA-N 1 3 237.347 0.598 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)C2(N)CCC2)C1 ZINC000568275508 326339580 /nfs/dbraw/zinc/33/95/80/326339580.db2.gz YKNGXDSWSSDRDU-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)C2(N)CCC2)C1 ZINC000568275508 326339581 /nfs/dbraw/zinc/33/95/81/326339581.db2.gz YKNGXDSWSSDRDU-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684351 370434654 /nfs/dbraw/zinc/43/46/54/370434654.db2.gz KWWXTUBWLCNGCV-MRBYEJRBSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684724 370434748 /nfs/dbraw/zinc/43/47/48/370434748.db2.gz RKMLWHDJRIDUFF-ATZCPNFKSA-N 1 3 211.309 0.064 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684390 370434975 /nfs/dbraw/zinc/43/49/75/370434975.db2.gz LSQZKWTTYFNFBS-JFGNBEQYSA-N 1 3 225.336 0.310 20 0 BCADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@H]1CCOC1)C2 ZINC000621782506 370532525 /nfs/dbraw/zinc/53/25/25/370532525.db2.gz PVTNDFCIIWNMTK-UTUOFQBUSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2COCCN2C)CC[N@@H+]1C ZINC000624174261 371365691 /nfs/dbraw/zinc/36/56/91/371365691.db2.gz UVCCXYHPXAQQDR-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2COCCN2C)CC[N@H+]1C ZINC000624174261 371365698 /nfs/dbraw/zinc/36/56/98/371365698.db2.gz UVCCXYHPXAQQDR-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627650983 371809442 /nfs/dbraw/zinc/80/94/42/371809442.db2.gz ZJABJFPMCSKLPQ-KXNHARMFSA-N 1 3 237.347 0.099 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@H]1CCc2ncnn21 ZINC000631827561 372607279 /nfs/dbraw/zinc/60/72/79/372607279.db2.gz QKJJMZPPDHETDZ-ZJUUUORDSA-N 1 3 237.351 0.728 20 0 BCADHO C[C@@H]1OCC[C@H]1CN1CCCO[C@H](C[NH3+])C1 ZINC000631828749 372608761 /nfs/dbraw/zinc/60/87/61/372608761.db2.gz XIFPKEYTYRNZGT-SDDRHHMPSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@H]2CCc3ncnn32)[C@H](CN)C1 ZINC000631829410 372611594 /nfs/dbraw/zinc/61/15/94/372611594.db2.gz PWKGCMQPQBTSCE-UTUOFQBUSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)[C@H](CN)C1 ZINC000631829410 372611598 /nfs/dbraw/zinc/61/15/98/372611598.db2.gz PWKGCMQPQBTSCE-UTUOFQBUSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@H]1CN ZINC000631838588 372633125 /nfs/dbraw/zinc/63/31/25/372633125.db2.gz QURIGKCMBZXPFM-CHWSQXEVSA-N 1 3 241.379 0.235 20 0 BCADHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@H]1CN ZINC000631838588 372633131 /nfs/dbraw/zinc/63/31/31/372633131.db2.gz QURIGKCMBZXPFM-CHWSQXEVSA-N 1 3 241.379 0.235 20 0 BCADHO C[C@@H]1CN(CCCN2CCOCC2)C[C@H]1C[NH3+] ZINC000631838588 372633135 /nfs/dbraw/zinc/63/31/35/372633135.db2.gz QURIGKCMBZXPFM-CHWSQXEVSA-N 1 3 241.379 0.235 20 0 BCADHO CC[C@@H]1CN(C[C@H]2CCc3ncnn32)CC[C@@H]1[NH3+] ZINC000631824781 372603995 /nfs/dbraw/zinc/60/39/95/372603995.db2.gz QBDXSEYSPHXPBL-UTUOFQBUSA-N 1 3 249.362 0.825 20 0 BCADHO OCC[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC000631863948 372666175 /nfs/dbraw/zinc/66/61/75/372666175.db2.gz GJBNNJPVJQCHER-UHFFFAOYSA-N 1 3 242.363 0.459 20 0 BCADHO C([NH2+][C@]12CCC[C@@H]1CNC2)[C@H]1CCOC1 ZINC000631867293 372666913 /nfs/dbraw/zinc/66/69/13/372666913.db2.gz OZXYOJISZVMKHJ-UTUOFQBUSA-N 1 3 210.321 0.755 20 0 BCADHO COCCCCC[NH+]1CCC(NCCO)CC1 ZINC000631864184 372667084 /nfs/dbraw/zinc/66/70/84/372667084.db2.gz IZVRDJALBVZSEQ-UHFFFAOYSA-N 1 3 244.379 0.849 20 0 BCADHO CC[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000521872858 259555987 /nfs/dbraw/zinc/55/59/87/259555987.db2.gz KJSOWJVFOCHWEZ-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000042169444 182017729 /nfs/dbraw/zinc/01/77/29/182017729.db2.gz BXOHPQBETDFVMX-NWDGAFQWSA-N 1 3 237.347 0.435 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000042169442 182027691 /nfs/dbraw/zinc/02/76/91/182027691.db2.gz BXOHPQBETDFVMX-VXGBXAGGSA-N 1 3 237.347 0.435 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)C)CC[N@@H+]1C ZINC000633068036 373283861 /nfs/dbraw/zinc/28/38/61/373283861.db2.gz ZFABIJDHXUQNGW-SDDRHHMPSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)C)CC[N@H+]1C ZINC000633068036 373283868 /nfs/dbraw/zinc/28/38/68/373283868.db2.gz ZFABIJDHXUQNGW-SDDRHHMPSA-N 1 3 241.379 0.783 20 0 BCADHO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCCN1 ZINC000037467342 182167734 /nfs/dbraw/zinc/16/77/34/182167734.db2.gz ZHNAFDHNQQYFCJ-GFCCVEGCSA-N 1 3 239.363 0.731 20 0 BCADHO O=C(NC[C@@H]1CCCC[NH2+]1)N1CCCNCC1 ZINC000634270524 374084505 /nfs/dbraw/zinc/08/45/05/374084505.db2.gz NRIBMSNICOZRHR-NSHDSACASA-N 1 3 240.351 0.133 20 0 BCADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424082191 206029337 /nfs/dbraw/zinc/02/93/37/206029337.db2.gz WECWJDLDRUYNQD-XROYCOCOSA-N 1 3 219.288 0.992 20 0 BCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCCCN1 ZINC000368385051 182289750 /nfs/dbraw/zinc/28/97/50/182289750.db2.gz LIDYGTUEWSUEHH-GHMZBOCLSA-N 1 3 237.347 0.387 20 0 BCADHO O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCCCN1 ZINC000368385054 182290168 /nfs/dbraw/zinc/29/01/68/182290168.db2.gz LIDYGTUEWSUEHH-WDEREUQCSA-N 1 3 237.347 0.387 20 0 BCADHO COCCOCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155884763 206071687 /nfs/dbraw/zinc/07/16/87/206071687.db2.gz YXTCKQAQXUHLQB-RYUDHWBXSA-N 1 3 230.352 0.722 20 0 BCADHO COCCOCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000155884763 206071692 /nfs/dbraw/zinc/07/16/92/206071692.db2.gz YXTCKQAQXUHLQB-RYUDHWBXSA-N 1 3 230.352 0.722 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446268496 206090559 /nfs/dbraw/zinc/09/05/59/206090559.db2.gz DDYUHUDQSNAEBN-WDEREUQCSA-N 1 3 245.342 0.535 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446268496 206090563 /nfs/dbraw/zinc/09/05/63/206090563.db2.gz DDYUHUDQSNAEBN-WDEREUQCSA-N 1 3 245.342 0.535 20 0 BCADHO O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCCCN1 ZINC000368385052 182326476 /nfs/dbraw/zinc/32/64/76/182326476.db2.gz LIDYGTUEWSUEHH-MNOVXSKESA-N 1 3 237.347 0.387 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000449598940 206099249 /nfs/dbraw/zinc/09/92/49/206099249.db2.gz DVGOYZIOTNLMRE-JBLDHEPKSA-N 1 3 235.331 0.928 20 0 BCADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000044726736 182334925 /nfs/dbraw/zinc/33/49/25/182334925.db2.gz LAFKLUBSYFAUAH-MNOVXSKESA-N 1 3 237.347 0.339 20 0 BCADHO OCCOCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300418582 183082477 /nfs/dbraw/zinc/08/24/77/183082477.db2.gz WYEFZKMYSGHMFL-OLZOCXBDSA-N 1 3 242.363 0.602 20 0 BCADHO OCCOCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300418582 183082479 /nfs/dbraw/zinc/08/24/79/183082479.db2.gz WYEFZKMYSGHMFL-OLZOCXBDSA-N 1 3 242.363 0.602 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309408467 169005589 /nfs/dbraw/zinc/00/55/89/169005589.db2.gz IFDVUPHNUFNRPP-UTLUCORTSA-N 1 3 213.325 0.452 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353380742 169005670 /nfs/dbraw/zinc/00/56/70/169005670.db2.gz DCNGXJPKFFOFRZ-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309408466 169005992 /nfs/dbraw/zinc/00/59/92/169005992.db2.gz IFDVUPHNUFNRPP-GUBZILKMSA-N 1 3 213.325 0.452 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353383230 169069044 /nfs/dbraw/zinc/06/90/44/169069044.db2.gz IVVGOGWKCZXQPM-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000355601601 169074070 /nfs/dbraw/zinc/07/40/70/169074070.db2.gz ZRWNNUZSTJLNOY-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)CC[NH3+] ZINC000336684556 169075345 /nfs/dbraw/zinc/07/53/45/169075345.db2.gz SUDHFCSLBZKAEY-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000358600298 169064976 /nfs/dbraw/zinc/06/49/76/169064976.db2.gz OGBCJEKVBPKBAM-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000354075445 169065983 /nfs/dbraw/zinc/06/59/83/169065983.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000354075445 169065986 /nfs/dbraw/zinc/06/59/86/169065986.db2.gz MCCJABFBNBHDOF-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO O[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415289 183251902 /nfs/dbraw/zinc/25/19/02/183251902.db2.gz VCUGZOOXABFCSJ-AVGNSLFASA-N 1 3 240.347 0.354 20 0 BCADHO O[C@]1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415289 183251904 /nfs/dbraw/zinc/25/19/04/183251904.db2.gz VCUGZOOXABFCSJ-AVGNSLFASA-N 1 3 240.347 0.354 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)C(C)(C)N)CC1 ZINC000236758619 169187298 /nfs/dbraw/zinc/18/72/98/169187298.db2.gz QDRRCBJPPCDOBH-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000070074298 169246491 /nfs/dbraw/zinc/24/64/91/169246491.db2.gz KJOIJGQWUCKJRC-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336320886 169387855 /nfs/dbraw/zinc/38/78/55/169387855.db2.gz YWUPVKRHRNKBGU-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373044964 169545160 /nfs/dbraw/zinc/54/51/60/169545160.db2.gz WKMULWYUMIRXKP-WZRBSPASSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000185403417 134379346 /nfs/dbraw/zinc/37/93/46/134379346.db2.gz GTXGRFZNJJHLGE-YWVKMMECSA-N 1 3 229.299 0.074 20 0 BCADHO C[C@H](CN(C)C)NC(=O)N[C@H](C)C[NH+](C)C ZINC000358521454 383842046 /nfs/dbraw/zinc/84/20/46/383842046.db2.gz JALFPGAKZGMMMS-NXEZZACHSA-N 1 3 230.356 0.186 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000358521457 383843403 /nfs/dbraw/zinc/84/34/03/383843403.db2.gz JALFPGAKZGMMMS-UWVGGRQHSA-N 1 3 230.356 0.186 20 0 BCADHO CN(CCOCC[NH3+])CCc1cccnc1 ZINC000301051342 383881647 /nfs/dbraw/zinc/88/16/47/383881647.db2.gz UGVSQOCWTJVWFU-UHFFFAOYSA-N 1 3 223.320 0.531 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000648124826 383851124 /nfs/dbraw/zinc/85/11/24/383851124.db2.gz CXLAJNZRLBVHID-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO O=C(C1CC[NH2+]CC1)N1CCN2CCC[C@H]2C1 ZINC000037812576 383863293 /nfs/dbraw/zinc/86/32/93/383863293.db2.gz GQIMEQAUJLHCFL-LBPRGKRZSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000569360865 383894786 /nfs/dbraw/zinc/89/47/86/383894786.db2.gz XRZCEWBLWGNIED-JTQLQIEISA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@](C)(CN)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000569361476 383896207 /nfs/dbraw/zinc/89/62/07/383896207.db2.gz BRWWWUSJBMJUFM-LDYMZIIASA-N 1 3 226.324 0.846 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000157815294 384004893 /nfs/dbraw/zinc/00/48/93/384004893.db2.gz ULGHJSYPFZRUKP-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@H+]1C ZINC000157815294 384004896 /nfs/dbraw/zinc/00/48/96/384004896.db2.gz ULGHJSYPFZRUKP-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@]1(CNC(=O)[C@H](N)CC(F)F)CCC[NH2+]C1 ZINC000569456163 384063091 /nfs/dbraw/zinc/06/30/91/384063091.db2.gz VYNXCPNIJDFCFA-KCJUWKMLSA-N 1 3 249.305 0.475 20 0 BCADHO CN(CCNC(=O)C(C)(C)[NH3+])Cc1ccccc1 ZINC000077429279 384069438 /nfs/dbraw/zinc/06/94/38/384069438.db2.gz DNCWXXUNILZPCP-UHFFFAOYSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CCCC[NH3+])CN1C1CC1 ZINC000572600401 384081980 /nfs/dbraw/zinc/08/19/80/384081980.db2.gz SLJCYOSURSOSDR-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1NCC1(C)C ZINC000648132139 384111549 /nfs/dbraw/zinc/11/15/49/384111549.db2.gz OJISOYHUBBMVEG-GUBZILKMSA-N 1 3 243.326 0.143 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237400548 384171969 /nfs/dbraw/zinc/17/19/69/384171969.db2.gz XZJXJPHWHVAZMN-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237400548 384171971 /nfs/dbraw/zinc/17/19/71/384171971.db2.gz XZJXJPHWHVAZMN-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO NCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142305 384172682 /nfs/dbraw/zinc/17/26/82/384172682.db2.gz MZSQRLOJXSPCGP-WDEREUQCSA-N 1 3 225.336 0.183 20 0 BCADHO NCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142304 384173187 /nfs/dbraw/zinc/17/31/87/384173187.db2.gz MZSQRLOJXSPCGP-QWRGUYRKSA-N 1 3 225.336 0.183 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178405226 384168061 /nfs/dbraw/zinc/16/80/61/384168061.db2.gz PZSOWNOOFPTANV-OLZOCXBDSA-N 1 3 247.342 0.364 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237453310 384206016 /nfs/dbraw/zinc/20/60/16/384206016.db2.gz JTUWOJJYFBVXQM-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO N[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000163272944 384211534 /nfs/dbraw/zinc/21/15/34/384211534.db2.gz HMUKTTAFJGKXSQ-VXGBXAGGSA-N 1 3 233.315 0.555 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000644155468 384222313 /nfs/dbraw/zinc/22/23/13/384222313.db2.gz IMXLCRQGBPOCLT-BDAKNGLRSA-N 1 3 225.336 0.241 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000644155469 384222401 /nfs/dbraw/zinc/22/24/01/384222401.db2.gz IMXLCRQGBPOCLT-DTWKUNHWSA-N 1 3 225.336 0.241 20 0 BCADHO CC[C@H]1CN(CCOCC[NH3+])CCS1 ZINC000133085771 384226811 /nfs/dbraw/zinc/22/68/11/384226811.db2.gz CHHPPCFPGYWOHV-JTQLQIEISA-N 1 3 218.366 0.789 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000069626432 384247533 /nfs/dbraw/zinc/24/75/33/384247533.db2.gz WGXYBAVTDKSWDF-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CCSCC[N@@H+]1CCCO[C@H](CN)C1 ZINC000313334441 384267033 /nfs/dbraw/zinc/26/70/33/384267033.db2.gz GMNGCCBONSAJFO-SNVBAGLBSA-N 1 3 218.366 0.789 20 0 BCADHO CCSCC[N@H+]1CCCO[C@H](CN)C1 ZINC000313334441 384267039 /nfs/dbraw/zinc/26/70/39/384267039.db2.gz GMNGCCBONSAJFO-SNVBAGLBSA-N 1 3 218.366 0.789 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000401937465 384313734 /nfs/dbraw/zinc/31/37/34/384313734.db2.gz CXPVYJBADZEOSL-GHMZBOCLSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H](CN[C@H]1CO[C@@H](C)C1)C[NH+](C)C ZINC000401936148 384313960 /nfs/dbraw/zinc/31/39/60/384313960.db2.gz MSJFKHRPOADUNF-OUAUKWLOSA-N 1 3 200.326 0.951 20 0 BCADHO C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000224294448 384351452 /nfs/dbraw/zinc/35/14/52/384351452.db2.gz QLLQRKGMXHVZMR-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335600047 384370077 /nfs/dbraw/zinc/37/00/77/384370077.db2.gz FLBRPQSEKICQQT-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248597464 384407279 /nfs/dbraw/zinc/40/72/79/384407279.db2.gz IJORVWYXHBXQSA-QJPTWQEYSA-N 1 3 239.363 0.522 20 0 BCADHO Cn1cncc1CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405481090 384379292 /nfs/dbraw/zinc/37/92/92/384379292.db2.gz NBVUVACIIJHTDN-QWRGUYRKSA-N 1 3 222.336 0.678 20 0 BCADHO Cn1cncc1CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000405481090 384379298 /nfs/dbraw/zinc/37/92/98/384379298.db2.gz NBVUVACIIJHTDN-QWRGUYRKSA-N 1 3 222.336 0.678 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000648145776 384449634 /nfs/dbraw/zinc/44/96/34/384449634.db2.gz FSJZUPLTVASCPC-YUMQZZPRSA-N 1 3 235.278 0.085 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335653298 384440642 /nfs/dbraw/zinc/44/06/42/384440642.db2.gz GVVIIOTZNARLPU-GFCCVEGCSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](C)[C@@H](CO)NC[C@H](O)C[N@H+](C)CC ZINC000568182543 384464819 /nfs/dbraw/zinc/46/48/19/384464819.db2.gz SIEWCHINXUGJPF-RWMBFGLXSA-N 1 3 246.395 0.686 20 0 BCADHO CCC[C@H](C)[C@@H](CO)NC[C@H](O)C[N@@H+](C)CC ZINC000568182543 384464828 /nfs/dbraw/zinc/46/48/28/384464828.db2.gz SIEWCHINXUGJPF-RWMBFGLXSA-N 1 3 246.395 0.686 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180673 384475027 /nfs/dbraw/zinc/47/50/27/384475027.db2.gz LYIDNCYCNHJVCN-SECBINFHSA-N 1 3 225.336 0.515 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCn1cccn1 ZINC000163727103 384498821 /nfs/dbraw/zinc/49/88/21/384498821.db2.gz OVYVEFKIJPVTPL-RYUDHWBXSA-N 1 3 222.336 0.990 20 0 BCADHO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C1CCN(C)CC1 ZINC000647335163 384517850 /nfs/dbraw/zinc/51/78/50/384517850.db2.gz AYTFDHNTCOOMMT-RAIGVLPGSA-N 1 3 242.363 0.720 20 0 BCADHO C[N@H+](C[C@H](O)CNCC1(CO)CCC1)C1CC1 ZINC000647523505 384555564 /nfs/dbraw/zinc/55/55/64/384555564.db2.gz RQHOOJHONNEOLM-GFCCVEGCSA-N 1 3 242.363 0.194 20 0 BCADHO C[N@@H+](C[C@H](O)CNCC1(CO)CCC1)C1CC1 ZINC000647523505 384555569 /nfs/dbraw/zinc/55/55/69/384555569.db2.gz RQHOOJHONNEOLM-GFCCVEGCSA-N 1 3 242.363 0.194 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000151272163 384556117 /nfs/dbraw/zinc/55/61/17/384556117.db2.gz WCKSNFUBSXSZKU-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCCN1 ZINC000236604807 384537446 /nfs/dbraw/zinc/53/74/46/384537446.db2.gz IGIHOGLBEDLOEK-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)N(C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236647756 384539749 /nfs/dbraw/zinc/53/97/49/384539749.db2.gz PPYVAUPXZKMOTR-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)C1CCN(C)CC1 ZINC000236741702 384569555 /nfs/dbraw/zinc/56/95/55/384569555.db2.gz PVYIOYSZEZRSDD-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)NCC([NH3+])(CC)CC ZINC000236841823 384590282 /nfs/dbraw/zinc/59/02/82/384590282.db2.gz IQUBYVFGKMSFCC-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CCN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CCC[NH2+]CC1 ZINC000517961308 384591881 /nfs/dbraw/zinc/59/18/81/384591881.db2.gz PEGROVQLOMDTIO-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[N@H+](CCNC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000336649349 384594410 /nfs/dbraw/zinc/59/44/10/384594410.db2.gz GVBPWFTWZZYKEI-QMMMGPOBSA-N 1 3 235.278 0.179 20 0 BCADHO C[N@@H+](CCNC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000336649349 384594415 /nfs/dbraw/zinc/59/44/15/384594415.db2.gz GVBPWFTWZZYKEI-QMMMGPOBSA-N 1 3 235.278 0.179 20 0 BCADHO COC(=O)CCCN1CCC([C@@H](C)[NH3+])CC1 ZINC000082474933 384686274 /nfs/dbraw/zinc/68/62/74/384686274.db2.gz DAFVJLKLUCTLRT-SNVBAGLBSA-N 1 3 228.336 0.999 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000449603443 384687806 /nfs/dbraw/zinc/68/78/06/384687806.db2.gz QUGQRAXEWMLJDR-VLEAKVRGSA-N 1 3 227.352 0.711 20 0 BCADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000050457656 384697374 /nfs/dbraw/zinc/69/73/74/384697374.db2.gz BCPYNRJLQYRYNX-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C(=O)NCC1C[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000646901969 384711725 /nfs/dbraw/zinc/71/17/25/384711725.db2.gz WBOJQCKYVUIKDC-ZWNOBZJWSA-N 1 3 247.342 0.658 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368371990 384776079 /nfs/dbraw/zinc/77/60/79/384776079.db2.gz YPRFEQOEIKYLFC-WZRBSPASSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)OC ZINC000300386515 384744030 /nfs/dbraw/zinc/74/40/30/384744030.db2.gz ZDLVHQVBAORZDT-WOPDTQHZSA-N 1 3 230.352 0.755 20 0 BCADHO COC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])OC ZINC000300386515 384744035 /nfs/dbraw/zinc/74/40/35/384744035.db2.gz ZDLVHQVBAORZDT-WOPDTQHZSA-N 1 3 230.352 0.755 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156237 384749259 /nfs/dbraw/zinc/74/92/59/384749259.db2.gz KRSBHHPZMUYQFU-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@]1(CNC[C@@H]2C[C@H](F)CN2)CC[NH2+]C1 ZINC000647548196 384751643 /nfs/dbraw/zinc/75/16/43/384751643.db2.gz YQJGCUYPSGGGCX-DCAQKATOSA-N 1 3 215.316 0.276 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC(F)F)[N@H+](C)C1CC1 ZINC000310066529 384821066 /nfs/dbraw/zinc/82/10/66/384821066.db2.gz BSCATRJKRPRUPY-IONNQARKSA-N 1 3 249.305 0.568 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC(F)F)[N@@H+](C)C1CC1 ZINC000310066529 384821071 /nfs/dbraw/zinc/82/10/71/384821071.db2.gz BSCATRJKRPRUPY-IONNQARKSA-N 1 3 249.305 0.568 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000054132951 384823312 /nfs/dbraw/zinc/82/33/12/384823312.db2.gz ZCKUFTKYWKYARO-ZDUSSCGKSA-N 1 3 249.358 0.624 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000054132951 384823316 /nfs/dbraw/zinc/82/33/16/384823316.db2.gz ZCKUFTKYWKYARO-ZDUSSCGKSA-N 1 3 249.358 0.624 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000309737971 384785965 /nfs/dbraw/zinc/78/59/65/384785965.db2.gz GXHYFNFPQWRXDL-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000309737971 384785966 /nfs/dbraw/zinc/78/59/66/384785966.db2.gz GXHYFNFPQWRXDL-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089247 384786958 /nfs/dbraw/zinc/78/69/58/384786958.db2.gz WPATXAAHLJOCHQ-DTWKUNHWSA-N 1 3 201.314 0.036 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(N)CCCC1 ZINC000648187916 384800692 /nfs/dbraw/zinc/80/06/92/384800692.db2.gz CGMXHSBJTAXIOJ-RKDXNWHRSA-N 1 3 213.325 0.500 20 0 BCADHO CC[C@@H](CN[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040017 384809723 /nfs/dbraw/zinc/80/97/23/384809723.db2.gz XNJFFPVEXGARQC-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[NH2+]1 ZINC000336229359 384813320 /nfs/dbraw/zinc/81/33/20/384813320.db2.gz BXFYXWKSXWIMEO-NXEZZACHSA-N 1 3 225.336 0.515 20 0 BCADHO CCN(C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000310120992 384844776 /nfs/dbraw/zinc/84/47/76/384844776.db2.gz VALASKNZDMWREA-GFCCVEGCSA-N 1 3 244.379 0.534 20 0 BCADHO CCN(C[C@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000310120992 384844778 /nfs/dbraw/zinc/84/47/78/384844778.db2.gz VALASKNZDMWREA-GFCCVEGCSA-N 1 3 244.379 0.534 20 0 BCADHO CN(C[C@H](O)C[NH2+][C@@H]1CCCN(C)C1)C1CC1 ZINC000644548011 384949775 /nfs/dbraw/zinc/94/97/75/384949775.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548011 384949778 /nfs/dbraw/zinc/94/97/78/384949778.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548011 384949785 /nfs/dbraw/zinc/94/97/85/384949785.db2.gz KIQWOZGGVRVEMF-DGCLKSJQSA-N 1 3 241.379 0.125 20 0 BCADHO CCN(CC)CC(=O)NCC[N@H+](C)C(C)C ZINC000101953322 384899706 /nfs/dbraw/zinc/89/97/06/384899706.db2.gz FNCNKQABYNUATO-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO CCN(CC)CC(=O)NCC[N@@H+](C)C(C)C ZINC000101953322 384899712 /nfs/dbraw/zinc/89/97/12/384899712.db2.gz FNCNKQABYNUATO-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C1CCN(C)CC1 ZINC000257711897 384924696 /nfs/dbraw/zinc/92/46/96/384924696.db2.gz QZVDVFHVLSOHDL-SECBINFHSA-N 1 3 213.325 0.039 20 0 BCADHO C[C@@H](O)CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000644570867 384968658 /nfs/dbraw/zinc/96/86/58/384968658.db2.gz HDHBWGGKPWDLJI-VXGBXAGGSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](C(=O)NCCN1CCCCC1)C1C[NH2+]C1 ZINC000164457286 384993043 /nfs/dbraw/zinc/99/30/43/384993043.db2.gz WMXZHSSFBKLGGO-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000226399606 385007773 /nfs/dbraw/zinc/00/77/73/385007773.db2.gz XOAAQPXVQOIIHW-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CCN(CCNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000226397566 385009370 /nfs/dbraw/zinc/00/93/70/385009370.db2.gz OSYZMYDNTGPFOO-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+]CC1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000518376523 385011310 /nfs/dbraw/zinc/01/13/10/385011310.db2.gz WBFNJFMWDIMIGH-ZDUSSCGKSA-N 1 3 242.363 0.853 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NC1CCN(C)CC1 ZINC000037481392 385055313 /nfs/dbraw/zinc/05/53/13/385055313.db2.gz QTKCEGJKYWNAQV-GFCCVEGCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404807359 385077325 /nfs/dbraw/zinc/07/73/25/385077325.db2.gz ZYUZFNPERBVRJV-GRYCIOLGSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@H](CC(=O)NCCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000156981437 385029805 /nfs/dbraw/zinc/02/98/05/385029805.db2.gz NKBUXQDENUBBRI-VXGBXAGGSA-N 1 3 241.379 0.690 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC1 ZINC000646984869 385112139 /nfs/dbraw/zinc/11/21/39/385112139.db2.gz BGNCZJXLCWQFPI-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000157216830 385114314 /nfs/dbraw/zinc/11/43/14/385114314.db2.gz KEUUDIOARBLLSM-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCOCC(F)F ZINC000404882366 385141938 /nfs/dbraw/zinc/14/19/38/385141938.db2.gz GQSAQRUUAHUNIP-YUMQZZPRSA-N 1 3 222.279 0.984 20 0 BCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOCC(F)F ZINC000404882366 385141951 /nfs/dbraw/zinc/14/19/51/385141951.db2.gz GQSAQRUUAHUNIP-YUMQZZPRSA-N 1 3 222.279 0.984 20 0 BCADHO C[C@@H]([NH3+])CN1CCN(C2CCCC2)CC1 ZINC000052061183 385123507 /nfs/dbraw/zinc/12/35/07/385123507.db2.gz JEUYGQYDGRGZJD-LLVKDONJSA-N 1 3 211.353 0.894 20 0 BCADHO CCN(CC[NH3+])CCCc1cncn1C ZINC000314936703 385123814 /nfs/dbraw/zinc/12/38/14/385123814.db2.gz RQIHPLATCOLUQJ-UHFFFAOYSA-N 1 3 210.325 0.633 20 0 BCADHO CSCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530880368 385128946 /nfs/dbraw/zinc/12/89/46/385128946.db2.gz UDODYDICZBVPPQ-UHFFFAOYSA-N 1 3 247.408 0.301 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2NCC2(C)C)CC[NH2+]1 ZINC000647018263 385142619 /nfs/dbraw/zinc/14/26/19/385142619.db2.gz XFWVFSASUSNMTF-KXUCPTDWSA-N 1 3 225.336 0.241 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058097 385201469 /nfs/dbraw/zinc/20/14/69/385201469.db2.gz MOORLUDSMBFXSP-NAKRPEOUSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2NCC2(C)C)CC[NH2+]1 ZINC000647018262 385143998 /nfs/dbraw/zinc/14/39/98/385143998.db2.gz XFWVFSASUSNMTF-BBBLOLIVSA-N 1 3 225.336 0.241 20 0 BCADHO CC[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1[NH3+] ZINC000647012653 385146189 /nfs/dbraw/zinc/14/61/89/385146189.db2.gz YARQDZLOTULLDC-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000647021359 385151574 /nfs/dbraw/zinc/15/15/74/385151574.db2.gz LKRREZLJYLEGNY-JOYOIKCWSA-N 1 3 233.315 0.337 20 0 BCADHO CC(C)[NH+](CCCNC(=O)[C@@H](C)N)C(C)C ZINC000157386523 385158514 /nfs/dbraw/zinc/15/85/14/385158514.db2.gz BXANHOKSZGUUJN-LLVKDONJSA-N 1 3 229.368 0.959 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026379 385160973 /nfs/dbraw/zinc/16/09/73/385160973.db2.gz GRLSKMQDXFIXIS-GHMZBOCLSA-N 1 3 239.363 0.572 20 0 BCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(C)CC1 ZINC000336357286 385164135 /nfs/dbraw/zinc/16/41/35/385164135.db2.gz YLNDTNQTATUXGY-NSHDSACASA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C)CC1 ZINC000336357286 385164139 /nfs/dbraw/zinc/16/41/39/385164139.db2.gz YLNDTNQTATUXGY-NSHDSACASA-N 1 3 239.363 0.491 20 0 BCADHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000246487216 385171049 /nfs/dbraw/zinc/17/10/49/385171049.db2.gz XBJDOLQEDCXNHU-TUAOUCFPSA-N 1 3 237.347 0.420 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404911677 385174573 /nfs/dbraw/zinc/17/45/73/385174573.db2.gz UVILAPUDEOGLOR-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647070247 385218708 /nfs/dbraw/zinc/21/87/08/385218708.db2.gz NCPBRZGDNJYOBE-RQJHMYQMSA-N 1 3 223.267 0.068 20 0 BCADHO C[C@H]1CCN(CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164658171 385224329 /nfs/dbraw/zinc/22/43/29/385224329.db2.gz WQBHCZYUYOJEBX-QWRGUYRKSA-N 1 3 227.352 0.381 20 0 BCADHO C[C@H]1CC[N@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000164658171 385224335 /nfs/dbraw/zinc/22/43/35/385224335.db2.gz WQBHCZYUYOJEBX-QWRGUYRKSA-N 1 3 227.352 0.381 20 0 BCADHO C[C@H]1CC[N@@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000164658171 385224343 /nfs/dbraw/zinc/22/43/43/385224343.db2.gz WQBHCZYUYOJEBX-QWRGUYRKSA-N 1 3 227.352 0.381 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000157641688 385238882 /nfs/dbraw/zinc/23/88/82/385238882.db2.gz DOHIBUUHHBWMCR-SRVKXCTJSA-N 1 3 241.379 0.816 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000569124535 385240904 /nfs/dbraw/zinc/24/09/04/385240904.db2.gz SJMYKKQYBBYCML-WISYIIOYSA-N 1 3 237.347 0.276 20 0 BCADHO NC1(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)CC1 ZINC000364195098 385244789 /nfs/dbraw/zinc/24/47/89/385244789.db2.gz BIUUHCMMDWLDLI-MWLCHTKSSA-N 1 3 223.320 0.208 20 0 BCADHO CC[C@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000308894946 385247770 /nfs/dbraw/zinc/24/77/70/385247770.db2.gz IQPVCOGPOGLNBI-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CC[C@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000308894946 385247774 /nfs/dbraw/zinc/24/77/74/385247774.db2.gz IQPVCOGPOGLNBI-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000157688992 385249024 /nfs/dbraw/zinc/24/90/24/385249024.db2.gz BVHONIOSPQITJS-IJLUTSLNSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058436 385202791 /nfs/dbraw/zinc/20/27/91/385202791.db2.gz IZQIXNWHOBXIBW-LPEHRKFASA-N 1 3 231.315 0.176 20 0 BCADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N ZINC000157964416 385315701 /nfs/dbraw/zinc/31/57/01/385315701.db2.gz CQJYZBHHVPYHDE-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)N ZINC000157964416 385315707 /nfs/dbraw/zinc/31/57/07/385315707.db2.gz CQJYZBHHVPYHDE-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](N)CC ZINC000237044936 385277436 /nfs/dbraw/zinc/27/74/36/385277436.db2.gz RTWNMKYKXQZFHE-QWRGUYRKSA-N 1 3 245.367 0.197 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000333495711 385279307 /nfs/dbraw/zinc/27/93/07/385279307.db2.gz CUNXPRJMOAYIPS-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000336407579 385279835 /nfs/dbraw/zinc/27/98/35/385279835.db2.gz MHNILQGHCJXOQJ-VXGBXAGGSA-N 1 3 237.347 0.435 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368641975 385285653 /nfs/dbraw/zinc/28/56/53/385285653.db2.gz IUDPLDCPUDXXGP-QXEWZRGKSA-N 1 3 231.315 0.320 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000157808545 385286549 /nfs/dbraw/zinc/28/65/49/385286549.db2.gz FBTNNAICTLHFNA-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000157808545 385286552 /nfs/dbraw/zinc/28/65/52/385286552.db2.gz FBTNNAICTLHFNA-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000157804264 385288480 /nfs/dbraw/zinc/28/84/80/385288480.db2.gz NBTGIKMMBQHYPW-MNOVXSKESA-N 1 3 227.352 0.522 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152406 385292171 /nfs/dbraw/zinc/29/21/71/385292171.db2.gz ZXUPHBCNYXIPAB-WYUUTHIRSA-N 1 3 237.347 0.004 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648152366 385293413 /nfs/dbraw/zinc/29/34/13/385293413.db2.gz SZVSNPMAAPITJO-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000164994314 385334392 /nfs/dbraw/zinc/33/43/92/385334392.db2.gz PYPCRECCRQFSHS-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000164994314 385334394 /nfs/dbraw/zinc/33/43/94/385334394.db2.gz PYPCRECCRQFSHS-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)C(C)(C)[NH3+])C1 ZINC000164992838 385334689 /nfs/dbraw/zinc/33/46/89/385334689.db2.gz LOYCBHSIBXVSMP-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165006171 385335278 /nfs/dbraw/zinc/33/52/78/385335278.db2.gz HFQWTYUXEVUUAH-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000165006171 385335281 /nfs/dbraw/zinc/33/52/81/385335281.db2.gz HFQWTYUXEVUUAH-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCCC1 ZINC000165115565 385350498 /nfs/dbraw/zinc/35/04/98/385350498.db2.gz QHTKOHBVHIBYCU-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO COCCCCN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000397461369 385356545 /nfs/dbraw/zinc/35/65/45/385356545.db2.gz QGIVABUGMVIQPA-CYBMUJFWSA-N 1 3 244.379 0.800 20 0 BCADHO COCCCCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000397461369 385356550 /nfs/dbraw/zinc/35/65/50/385356550.db2.gz QGIVABUGMVIQPA-CYBMUJFWSA-N 1 3 244.379 0.800 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCNCC1(C)C ZINC000644076039 385425707 /nfs/dbraw/zinc/42/57/07/385425707.db2.gz WJROLAWGFYWWJU-SECBINFHSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)C ZINC000155666453 385405184 /nfs/dbraw/zinc/40/51/84/385405184.db2.gz BCFKYPWYVIENES-YPMHNXCESA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](NC(=O)[C@@H]1NCC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000644082243 385428617 /nfs/dbraw/zinc/42/86/17/385428617.db2.gz RKBNSMPXOUNVET-AXFHLTTASA-N 1 3 239.363 0.489 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCO1 ZINC000309201041 385476389 /nfs/dbraw/zinc/47/63/89/385476389.db2.gz AIWBQTATCFBJJS-RYUDHWBXSA-N 1 3 230.352 0.722 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364561424 385476937 /nfs/dbraw/zinc/47/69/37/385476937.db2.gz NWFYHTHLJNSLMM-HNCHTBHHSA-N 1 3 239.363 0.985 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000644107468 385480773 /nfs/dbraw/zinc/48/07/73/385480773.db2.gz POFWIEJTPNNTFW-MFKMUULPSA-N 1 3 239.363 0.490 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364646820 385485747 /nfs/dbraw/zinc/48/57/47/385485747.db2.gz NWMFDAGBHWYOOT-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCOC1 ZINC000336724964 385497744 /nfs/dbraw/zinc/49/77/44/385497744.db2.gz ZSKJWPFLINUVSH-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCCN1 ZINC000309295317 385517248 /nfs/dbraw/zinc/51/72/48/385517248.db2.gz RJKYPRONBXYJJT-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCCN1 ZINC000180897170 385554477 /nfs/dbraw/zinc/55/44/77/385554477.db2.gz CSBDGWHPHDGWQA-DGCLKSJQSA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H](CC(N)=O)NCCC[NH+]1CCCCC1 ZINC000309398860 385562881 /nfs/dbraw/zinc/56/28/81/385562881.db2.gz GZZQICKWKLXBJV-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000366562259 385630638 /nfs/dbraw/zinc/63/06/38/385630638.db2.gz AXEOIUZMKPSZDA-VWYCJHECSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@H](NC(=O)C(C)(C)N)[C@H]1CCC[NH2+]C1 ZINC000309512122 385647483 /nfs/dbraw/zinc/64/74/83/385647483.db2.gz XPYZBZPQRJRABX-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309514280 385648063 /nfs/dbraw/zinc/64/80/63/385648063.db2.gz YFDBYBRBRVPDKF-GXSJLCMTSA-N 1 3 215.341 0.603 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000337502502 385687723 /nfs/dbraw/zinc/68/77/23/385687723.db2.gz DWGSFBZJCASDLQ-AXFHLTTASA-N 1 3 227.352 0.556 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645241371 385698563 /nfs/dbraw/zinc/69/85/63/385698563.db2.gz OATPQQFRIALQHJ-JTQLQIEISA-N 1 3 225.336 0.195 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000309806131 259674497 /nfs/dbraw/zinc/67/44/97/259674497.db2.gz SEOTYRUFRVAICV-UWVGGRQHSA-N 1 3 215.341 0.476 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055086006 385705206 /nfs/dbraw/zinc/70/52/06/385705206.db2.gz KEISXPWVGJZPDE-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000337623459 385735191 /nfs/dbraw/zinc/73/51/91/385735191.db2.gz IIYDHIIVPWKLOW-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CC(C)N(C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340132142 385740757 /nfs/dbraw/zinc/74/07/57/385740757.db2.gz XXBVPZVOTMCROI-UHFFFAOYSA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH3+])N(C)C ZINC000309649489 385770037 /nfs/dbraw/zinc/77/00/37/385770037.db2.gz XGQZTVJNWWYAQI-RKDXNWHRSA-N 1 3 201.314 0.036 20 0 BCADHO CSC1(C[NH2+]CC2(O)CCN(C)CC2)CC1 ZINC000336655899 385773610 /nfs/dbraw/zinc/77/36/10/385773610.db2.gz AGROLULWVCZUEI-UHFFFAOYSA-N 1 3 244.404 0.928 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CCN1C ZINC000638114384 385849206 /nfs/dbraw/zinc/84/92/06/385849206.db2.gz IGXGTRUSQJWWCJ-JLLWLGSASA-N 1 3 237.347 0.633 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000638115887 385852759 /nfs/dbraw/zinc/85/27/59/385852759.db2.gz KDWIDBORMNSULC-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000638115885 385852784 /nfs/dbraw/zinc/85/27/84/385852784.db2.gz KDWIDBORMNSULC-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)CN ZINC000414875246 385895477 /nfs/dbraw/zinc/89/54/77/385895477.db2.gz JOHRISNZRVXOAM-VIFPVBQESA-N 1 3 216.325 0.760 20 0 BCADHO COC(=O)C(C)(C)CCNC[C@@H](C)C[NH3+] ZINC000414875246 385895481 /nfs/dbraw/zinc/89/54/81/385895481.db2.gz JOHRISNZRVXOAM-VIFPVBQESA-N 1 3 216.325 0.760 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331759729 385917539 /nfs/dbraw/zinc/91/75/39/385917539.db2.gz JWSFPNGCBJQTNN-BBBLOLIVSA-N 1 3 240.351 0.258 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335032300 385921855 /nfs/dbraw/zinc/92/18/55/385921855.db2.gz NQDWFLFNIQKKCO-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO O=C([C@@H]1CCC[NH2+]C1)N1CCN2CCC1CC2 ZINC000335036003 385925636 /nfs/dbraw/zinc/92/56/36/385925636.db2.gz HCMGMUSQMYQWAB-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000647824965 385867123 /nfs/dbraw/zinc/86/71/23/385867123.db2.gz JRAYWNGCOATBGT-DTWKUNHWSA-N 1 3 249.305 0.331 20 0 BCADHO CN1CC=C(CNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000272003874 385868534 /nfs/dbraw/zinc/86/85/34/385868534.db2.gz SBLUSJCUAGORCC-SNAWJCMRSA-N 1 3 237.347 0.482 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000647831337 385874991 /nfs/dbraw/zinc/87/49/91/385874991.db2.gz JIIGCBRCMLQMAI-VXGBXAGGSA-N 1 3 241.379 0.878 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000647767587 385881276 /nfs/dbraw/zinc/88/12/76/385881276.db2.gz UOKRXUOEDPALIR-QNWHQSFQSA-N 1 3 245.326 0.268 20 0 BCADHO CC[C@@H](C(=O)NC1(C[NH+](C)C)CCC1)N(C)C ZINC000413777082 385882512 /nfs/dbraw/zinc/88/25/12/385882512.db2.gz XRCIHOACVXHSBP-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000295173097 385984797 /nfs/dbraw/zinc/98/47/97/385984797.db2.gz LRKWRXDKUKAJSK-QWHCGFSZSA-N 1 3 249.358 0.828 20 0 BCADHO C[C@](C[NH3+])(NCCOC[C@H]1CCCO1)C1CC1 ZINC000647867940 385986770 /nfs/dbraw/zinc/98/67/70/385986770.db2.gz WNLVBEULPARIIM-CHWSQXEVSA-N 1 3 242.363 0.899 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1cn[nH]c1 ZINC000309009027 385933580 /nfs/dbraw/zinc/93/35/80/385933580.db2.gz OHJNQYHJDQDRHQ-ONGXEEELSA-N 1 3 208.309 0.621 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000295214203 385992972 /nfs/dbraw/zinc/99/29/72/385992972.db2.gz LYRWLQCNZHIDLK-NEPJUHHUSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C12CCCN1CCC2 ZINC000335042628 385937075 /nfs/dbraw/zinc/93/70/75/385937075.db2.gz FFEYRCDGRWAQPB-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000336768679 385954701 /nfs/dbraw/zinc/95/47/01/385954701.db2.gz UVKKNMZZBXHRRO-JTQLQIEISA-N 1 3 212.337 0.831 20 0 BCADHO N[C@H](CC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000263226053 385960735 /nfs/dbraw/zinc/96/07/35/385960735.db2.gz CFWRVUHBXLWIDB-OLZOCXBDSA-N 1 3 247.342 0.930 20 0 BCADHO CN1CC=C(C[NH2+]CC2(C)COC2)CC1 ZINC000336747039 385968932 /nfs/dbraw/zinc/96/89/32/385968932.db2.gz BOJXQTMRHSTVJX-UHFFFAOYSA-N 1 3 210.321 0.874 20 0 BCADHO CC[C@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000128771074 386026244 /nfs/dbraw/zinc/02/62/44/386026244.db2.gz ZRTFWRLINAGSCA-GFCCVEGCSA-N 1 3 225.336 0.341 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335061301 386026844 /nfs/dbraw/zinc/02/68/44/386026844.db2.gz MOXLHYGEKCXIMC-GXSJLCMTSA-N 1 3 233.315 0.640 20 0 BCADHO CCCC[C@H](COC)NC[C@@H]1C[NH2+]CCN1C ZINC000414978268 386039303 /nfs/dbraw/zinc/03/93/03/386039303.db2.gz RKHOIBWLBDWJRR-OLZOCXBDSA-N 1 3 243.395 0.685 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC1CCN(C2CC2)CC1 ZINC000054339697 386120153 /nfs/dbraw/zinc/12/01/53/386120153.db2.gz OZQHNRCKLRUZQM-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC1CCN(C2CC2)CC1 ZINC000054339695 386120284 /nfs/dbraw/zinc/12/02/84/386120284.db2.gz OZQHNRCKLRUZQM-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C(=O)NCCN(C)C1CC1)C1C[NH2+]C1 ZINC000129230402 386066919 /nfs/dbraw/zinc/06/69/19/386066919.db2.gz JLWQTRXZRCXKEE-VIFPVBQESA-N 1 3 225.336 0.052 20 0 BCADHO CC(C)NC(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414673080 386145149 /nfs/dbraw/zinc/14/51/49/386145149.db2.gz BNJDDEFOPREFMX-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)NC(=O)CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414673075 386145403 /nfs/dbraw/zinc/14/54/03/386145403.db2.gz BNJDDEFOPREFMX-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000414673129 386145529 /nfs/dbraw/zinc/14/55/29/386145529.db2.gz QHLRRBONSZGRNA-UWVGGRQHSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000414673129 386145538 /nfs/dbraw/zinc/14/55/38/386145538.db2.gz QHLRRBONSZGRNA-UWVGGRQHSA-N 1 3 213.325 0.167 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088191 386153975 /nfs/dbraw/zinc/15/39/75/386153975.db2.gz ZQZRPYIDITVDRC-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000055122430 386158842 /nfs/dbraw/zinc/15/88/42/386158842.db2.gz LAVCRUQQSZJKSO-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346182023 386160309 /nfs/dbraw/zinc/16/03/09/386160309.db2.gz CHYLZIVRFCQXTO-SNVBAGLBSA-N 1 3 215.341 0.393 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000346157096 386171572 /nfs/dbraw/zinc/17/15/72/386171572.db2.gz TYUUJOKULKUQEE-TXEJJXNPSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000346157096 386171575 /nfs/dbraw/zinc/17/15/75/386171575.db2.gz TYUUJOKULKUQEE-TXEJJXNPSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000336754072 386174800 /nfs/dbraw/zinc/17/48/00/386174800.db2.gz WSPZONLSPASNBE-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO COC(=O)C[C@H]1CCCN1CCC[NH3+] ZINC000414693848 386191048 /nfs/dbraw/zinc/19/10/48/386191048.db2.gz FLQYNEUBTOQCOP-SECBINFHSA-N 1 3 200.282 0.363 20 0 BCADHO CN(C(=O)[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000054622451 386130014 /nfs/dbraw/zinc/13/00/14/386130014.db2.gz CLQNGOXEKWKANI-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132924083 386259753 /nfs/dbraw/zinc/25/97/53/386259753.db2.gz MMOYFRJKGAWXFH-HBNTYKKESA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132924083 386259759 /nfs/dbraw/zinc/25/97/59/386259759.db2.gz MMOYFRJKGAWXFH-HBNTYKKESA-N 1 3 227.352 0.569 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000131773576 386222429 /nfs/dbraw/zinc/22/24/29/386222429.db2.gz WKWMVFJVYYTWRU-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1SCCN(CCN2CC[NH2+]CC2)[C@H]1C ZINC000132420009 386234155 /nfs/dbraw/zinc/23/41/55/386234155.db2.gz VRNGDZONYRYKGI-NWDGAFQWSA-N 1 3 243.420 0.717 20 0 BCADHO CC[C@@H]1C(=O)NCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695138 386198683 /nfs/dbraw/zinc/19/86/83/386198683.db2.gz OEBDJPSKICXIGC-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+]CCCN1CCC[C@@H](CN2CCOCC2)C1 ZINC000414698090 386198971 /nfs/dbraw/zinc/19/89/71/386198971.db2.gz RUKOZHQHLCNGFG-CYBMUJFWSA-N 1 3 241.379 0.379 20 0 BCADHO COC(=O)[C@@H](C)CN(CCC[NH3+])C1CC1 ZINC000414698378 386199314 /nfs/dbraw/zinc/19/93/14/386199314.db2.gz DEJADVCXQNVNKS-VIFPVBQESA-N 1 3 214.309 0.609 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430692615 386291416 /nfs/dbraw/zinc/29/14/16/386291416.db2.gz TZZZLZVLXSYHGL-GHMZBOCLSA-N 1 3 227.352 0.426 20 0 BCADHO Cc1nc([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988409 386302000 /nfs/dbraw/zinc/30/20/00/386302000.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1n[nH]c([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647988409 386302005 /nfs/dbraw/zinc/30/20/05/386302005.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1nnc([C@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988409 386302010 /nfs/dbraw/zinc/30/20/10/386302010.db2.gz FWXPFLOVJSKIIA-NEPJUHHUSA-N 1 3 249.362 0.902 20 0 BCADHO CC1CC[NH+](CCCNC(=O)C2(N)CC2)CC1 ZINC000088130814 386305028 /nfs/dbraw/zinc/30/50/28/386305028.db2.gz TVPDXPLQELIJLZ-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](CO)[N@H+](C)CC[C@H]1CCCN1C ZINC000336673721 386305433 /nfs/dbraw/zinc/30/54/33/386305433.db2.gz PMIRZJMBOQDMHI-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](CO)[N@@H+](C)CC[C@H]1CCCN1C ZINC000336673721 386305437 /nfs/dbraw/zinc/30/54/37/386305437.db2.gz PMIRZJMBOQDMHI-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCCN1 ZINC000180896746 386307008 /nfs/dbraw/zinc/30/70/08/386307008.db2.gz QVVCCEXXAOYVTG-JQWIXIFHSA-N 1 3 225.336 0.387 20 0 BCADHO CN1CC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC000334509274 386308193 /nfs/dbraw/zinc/30/81/93/386308193.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 1 3 234.347 0.911 20 0 BCADHO CN1CC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334509274 386308197 /nfs/dbraw/zinc/30/81/97/386308197.db2.gz CUCAULVICFWBHQ-ZDUSSCGKSA-N 1 3 234.347 0.911 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430629167 386314298 /nfs/dbraw/zinc/31/42/98/386314298.db2.gz OGJPAKHRWYYCSS-QWRGUYRKSA-N 1 3 241.379 0.864 20 0 BCADHO COCCOC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647884710 386263645 /nfs/dbraw/zinc/26/36/45/386263645.db2.gz ZPZSBZYKCMNHQE-GFCCVEGCSA-N 1 3 242.363 0.723 20 0 BCADHO C[C@@H](O)C[N@H+](CCO)CC[C@@H]1CCCN1C ZINC000336656818 386274973 /nfs/dbraw/zinc/27/49/73/386274973.db2.gz LRFJWBBAKVPQSA-NEPJUHHUSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@@H](O)C[N@@H+](CCO)CC[C@@H]1CCCN1C ZINC000336656818 386274979 /nfs/dbraw/zinc/27/49/79/386274979.db2.gz LRFJWBBAKVPQSA-NEPJUHHUSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@H]1CC2(CN1CC(N)=O)CC[NH2+]CC2 ZINC000335277510 386342919 /nfs/dbraw/zinc/34/29/19/386342919.db2.gz IUIMNGXMOUIFJG-VIFPVBQESA-N 1 3 211.309 0.986 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417547079 386348808 /nfs/dbraw/zinc/34/88/08/386348808.db2.gz GNWRBISWPXJGPU-ZJUUUORDSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@@H](CNC(=O)/C=C/C[NH+](C)C)N(C)C ZINC000265602994 386350496 /nfs/dbraw/zinc/35/04/96/386350496.db2.gz CRFHPONINXTVAH-FGEFZZPRSA-N 1 3 213.325 0.171 20 0 BCADHO COCCOC[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890061 386359342 /nfs/dbraw/zinc/35/93/42/386359342.db2.gz KOPCVVXEGZJTMV-QWHCGFSZSA-N 1 3 242.363 0.581 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000336691247 386360276 /nfs/dbraw/zinc/36/02/76/386360276.db2.gz FICCZYXKJQDVPJ-LBPRGKRZSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000336691247 386360282 /nfs/dbraw/zinc/36/02/82/386360282.db2.gz FICCZYXKJQDVPJ-LBPRGKRZSA-N 1 3 236.363 0.846 20 0 BCADHO C[C@H](CNC(=O)N[C@@H](C)CC[NH3+])N(C)C1CC1 ZINC000417556167 386380318 /nfs/dbraw/zinc/38/03/18/386380318.db2.gz ZXYODESCDDWLOO-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000237465972 386380880 /nfs/dbraw/zinc/38/08/80/386380880.db2.gz QENFSGVWDKJSNB-SNVBAGLBSA-N 1 3 235.331 0.712 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000092132761 386332947 /nfs/dbraw/zinc/33/29/47/386332947.db2.gz JRQZAATTYUUEKI-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccccn1 ZINC000647992059 386438108 /nfs/dbraw/zinc/43/81/08/386438108.db2.gz AEEFESKLCDLIKJ-GFCCVEGCSA-N 1 3 234.347 0.637 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[NH3+] ZINC000417043708 386438431 /nfs/dbraw/zinc/43/84/31/386438431.db2.gz XOFMNCPSAPRLNH-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000414755366 386395260 /nfs/dbraw/zinc/39/52/60/386395260.db2.gz HKMTWVRHUNSPQD-GARJFASQSA-N 1 3 200.326 0.815 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000414755366 386395266 /nfs/dbraw/zinc/39/52/66/386395266.db2.gz HKMTWVRHUNSPQD-GARJFASQSA-N 1 3 200.326 0.815 20 0 BCADHO C[C@H](CNC(=O)CCC[NH3+])N(C)C1CC1 ZINC000226399594 386398731 /nfs/dbraw/zinc/39/87/31/386398731.db2.gz PLOZGIAOCOWOHE-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000417584125 386408467 /nfs/dbraw/zinc/40/84/67/386408467.db2.gz MEQFSUNSEQHHDW-LLVKDONJSA-N 1 3 242.367 0.509 20 0 BCADHO CCOCCN1CCN(C[C@@H](C)[NH3+])C[C@H]1CC ZINC000442664853 386417626 /nfs/dbraw/zinc/41/76/26/386417626.db2.gz XMSGEIHRKMWOCC-CHWSQXEVSA-N 1 3 243.395 0.766 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000417584949 386419110 /nfs/dbraw/zinc/41/91/10/386419110.db2.gz NTAXNTVVEHGLFH-SNVBAGLBSA-N 1 3 228.340 0.119 20 0 BCADHO CN(CCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000134560311 386424268 /nfs/dbraw/zinc/42/42/68/386424268.db2.gz PKPKESIPNNGPKS-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+](CCOCCO)CC[C@@H]1CCCN1C ZINC000336713926 386430128 /nfs/dbraw/zinc/43/01/28/386430128.db2.gz RXEPSRLZVBSJGZ-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO CC[N@@H+](CCOCCO)CC[C@@H]1CCCN1C ZINC000336713926 386430133 /nfs/dbraw/zinc/43/01/33/386430133.db2.gz RXEPSRLZVBSJGZ-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238010054 386433501 /nfs/dbraw/zinc/43/35/01/386433501.db2.gz MBJJNFKXQHNFJS-QWHCGFSZSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)NCCN1CCC(C)CC1 ZINC000417008518 386435332 /nfs/dbraw/zinc/43/53/32/386435332.db2.gz IXGQHHWYIXPHEY-NSHDSACASA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)NCCN(C)C1CC1 ZINC000417626998 386466358 /nfs/dbraw/zinc/46/63/58/386466358.db2.gz OXNZSARHDOWBLT-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000417276325 386468920 /nfs/dbraw/zinc/46/89/20/386468920.db2.gz DOLXLPBYFCKDPS-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000417284875 386472615 /nfs/dbraw/zinc/47/26/15/386472615.db2.gz KLBVFHNUYLTPPD-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000417284872 386474017 /nfs/dbraw/zinc/47/40/17/386474017.db2.gz KLBVFHNUYLTPPD-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000417286449 386476146 /nfs/dbraw/zinc/47/61/46/386476146.db2.gz MXKDHLFRMPPUHX-WDEREUQCSA-N 1 3 242.367 0.235 20 0 BCADHO C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)[C@H](C)N ZINC000415011133 386484431 /nfs/dbraw/zinc/48/44/31/386484431.db2.gz QEQDSHJWQZOZIE-DTWKUNHWSA-N 1 3 233.319 0.794 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)N)C[NH+]1CCCC1 ZINC000059930750 386485993 /nfs/dbraw/zinc/48/59/93/386485993.db2.gz INXOYHCKSCBKOU-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335431782 386487835 /nfs/dbraw/zinc/48/78/35/386487835.db2.gz YOOCZKZIYBIYAE-STQMWFEESA-N 1 3 247.342 0.808 20 0 BCADHO O=C(N1CCCNCC1)C12CCC[NH+]1CCC2 ZINC000335432855 386488901 /nfs/dbraw/zinc/48/89/01/386488901.db2.gz DIBVKASLFKERHW-UHFFFAOYSA-N 1 3 237.347 0.437 20 0 BCADHO CN(CCNC(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000062010159 386491567 /nfs/dbraw/zinc/49/15/67/386491567.db2.gz PGSBJKDAAWVAMU-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCNC(C)(C)C1 ZINC000335433707 386491629 /nfs/dbraw/zinc/49/16/29/386491629.db2.gz AHXSVWGNBAIKBG-BDAKNGLRSA-N 1 3 228.340 0.116 20 0 BCADHO Cc1cn[nH]c1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000335447267 386513648 /nfs/dbraw/zinc/51/36/48/386513648.db2.gz BRLZPXBOKZHHPS-NXEZZACHSA-N 1 3 208.309 0.887 20 0 BCADHO CC1(C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCO[C@@H]21 ZINC000415037288 386524470 /nfs/dbraw/zinc/52/44/70/386524470.db2.gz MVAGDSPGYVONFW-URIQBSJHSA-N 1 3 222.332 0.607 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000519647746 386526508 /nfs/dbraw/zinc/52/65/08/386526508.db2.gz FXCDCEQUZJCNBG-BBBLOLIVSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)C[NH+]1CCCC1 ZINC000059931037 386463580 /nfs/dbraw/zinc/46/35/80/386463580.db2.gz PCJFODZNTORGRZ-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CN(CCNC(=O)N1CCC[C@@H]1C[NH3+])C1CC1 ZINC000417626583 386465412 /nfs/dbraw/zinc/46/54/12/386465412.db2.gz ODLKMRPKCKPCLA-LLVKDONJSA-N 1 3 240.351 0.213 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1ccn(C)c(=O)c1 ZINC000647905613 386594802 /nfs/dbraw/zinc/59/48/02/386594802.db2.gz KXRDWVQGMRVVKM-JQWIXIFHSA-N 1 3 235.331 0.554 20 0 BCADHO C[C@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000062902558 386532380 /nfs/dbraw/zinc/53/23/80/386532380.db2.gz LXBXADPUNNTOBY-GWCFXTLKSA-N 1 3 237.347 0.339 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000063123954 386539549 /nfs/dbraw/zinc/53/95/49/386539549.db2.gz LBGNXUMAOZDNET-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H]1CNCc2ccccc21 ZINC000335463230 386547439 /nfs/dbraw/zinc/54/74/39/386547439.db2.gz SDSSOTIBTMUJGR-BXKDBHETSA-N 1 3 233.315 0.337 20 0 BCADHO C[C@@H](C(=O)N1CCN2CCC1CC2)[C@H](C)[NH3+] ZINC000335463008 386548345 /nfs/dbraw/zinc/54/83/45/386548345.db2.gz JKUKJGKZCWXGEJ-ZJUUUORDSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000335464754 386550423 /nfs/dbraw/zinc/55/04/23/386550423.db2.gz METUWCLVXVMRKB-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1C ZINC000335464754 386550429 /nfs/dbraw/zinc/55/04/29/386550429.db2.gz METUWCLVXVMRKB-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H](CC1CCOCC1)CN(C)C[C@@H](O)C[NH3+] ZINC000415068849 386551580 /nfs/dbraw/zinc/55/15/80/386551580.db2.gz NRBKAAFHHPFSCQ-YPMHNXCESA-N 1 3 244.379 0.691 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)N(C)C ZINC000332057377 386556784 /nfs/dbraw/zinc/55/67/84/386556784.db2.gz XPEUOESKNYQTDE-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO OCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062033263 386560558 /nfs/dbraw/zinc/56/05/58/386560558.db2.gz SBAJEQATYLOOTH-UHFFFAOYSA-N 1 3 212.337 0.787 20 0 BCADHO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCCNC1 ZINC000415071723 386564501 /nfs/dbraw/zinc/56/45/01/386564501.db2.gz UJQPGRBXPIJPSR-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO N[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000335406318 386566654 /nfs/dbraw/zinc/56/66/54/386566654.db2.gz KLUMQSZEJGLQTC-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000335409908 386572267 /nfs/dbraw/zinc/57/22/67/386572267.db2.gz QXTONCVAHVEWNB-RYUDHWBXSA-N 1 3 237.347 0.245 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000335409908 386572269 /nfs/dbraw/zinc/57/22/69/386572269.db2.gz QXTONCVAHVEWNB-RYUDHWBXSA-N 1 3 237.347 0.245 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647906586 386636152 /nfs/dbraw/zinc/63/61/52/386636152.db2.gz HDELQMUNJXJOMH-CMPLNLGQSA-N 1 3 235.331 0.554 20 0 BCADHO C[C@H](O)[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143400 386638708 /nfs/dbraw/zinc/63/87/08/386638708.db2.gz SMZHTHSANMEWOX-YVECIDJPSA-N 1 3 242.363 0.456 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000120389908 386660555 /nfs/dbraw/zinc/66/05/55/386660555.db2.gz SNNPCNWXTNOSLU-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000246569504 386665439 /nfs/dbraw/zinc/66/54/39/386665439.db2.gz BLYYWDKBJQXLNE-WCFLWFBJSA-N 1 3 247.342 0.801 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@H+](C)CC)[C@@H](C)C1 ZINC000520603942 386705768 /nfs/dbraw/zinc/70/57/68/386705768.db2.gz GNZWLADTFFQOPX-QWHCGFSZSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)C1 ZINC000520603942 386705770 /nfs/dbraw/zinc/70/57/70/386705770.db2.gz GNZWLADTFFQOPX-QWHCGFSZSA-N 1 3 243.395 0.325 20 0 BCADHO N[C@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840398 386739680 /nfs/dbraw/zinc/73/96/80/386739680.db2.gz XABGVIGUEMSMKL-NWDGAFQWSA-N 1 3 205.305 0.638 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000417781978 386716141 /nfs/dbraw/zinc/71/61/41/386716141.db2.gz LCARAVPIYXMXRT-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334146696 386746892 /nfs/dbraw/zinc/74/68/92/386746892.db2.gz CKNOLKRYKWPDRH-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357302123 386752893 /nfs/dbraw/zinc/75/28/93/386752893.db2.gz PSFIRIYGJSIHLQ-ZRUFSTJUSA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](C)CN(C)C ZINC000425941436 386753081 /nfs/dbraw/zinc/75/30/81/386753081.db2.gz ZLNBGDCTEIINRN-NEPJUHHUSA-N 1 3 239.367 0.844 20 0 BCADHO CC[C@@H](Cn1cncn1)NC[C@@H](C)C[NH+](C)C ZINC000425941436 386753088 /nfs/dbraw/zinc/75/30/88/386753088.db2.gz ZLNBGDCTEIINRN-NEPJUHHUSA-N 1 3 239.367 0.844 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417828627 386790130 /nfs/dbraw/zinc/79/01/30/386790130.db2.gz FQWAZZHIRCIPBR-LDYMZIIASA-N 1 3 225.336 0.323 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)CC[NH2+]C ZINC000417828445 386790753 /nfs/dbraw/zinc/79/07/53/386790753.db2.gz HHZCOTDSBNLHLO-CYBMUJFWSA-N 1 3 249.358 0.975 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2COC(C)(C)C2)C1 ZINC000417988432 386791951 /nfs/dbraw/zinc/79/19/51/386791951.db2.gz KAKLDTLEXIYHHT-JQWIXIFHSA-N 1 3 228.336 0.210 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@@H]2COC(C)(C)C2)C1 ZINC000417988432 386791958 /nfs/dbraw/zinc/79/19/58/386791958.db2.gz KAKLDTLEXIYHHT-JQWIXIFHSA-N 1 3 228.336 0.210 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)C[NH2+]C ZINC000417838591 386795430 /nfs/dbraw/zinc/79/54/30/386795430.db2.gz QPNDVNFOMBDSJH-GFCCVEGCSA-N 1 3 235.331 0.584 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417813587 386780311 /nfs/dbraw/zinc/78/03/11/386780311.db2.gz MPBADBWGOFQNGQ-IVZWLZJFSA-N 1 3 213.325 0.086 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417813585 386781438 /nfs/dbraw/zinc/78/14/38/386781438.db2.gz MPBADBWGOFQNGQ-AEJSXWLSSA-N 1 3 213.325 0.086 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000417827145 386785201 /nfs/dbraw/zinc/78/52/01/386785201.db2.gz CVAPQGDUEUNYCU-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417809262 386788214 /nfs/dbraw/zinc/78/82/14/386788214.db2.gz GTARWYZUOKQDHY-MNOVXSKESA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H]1[C@H](NC(=O)NCCCC[NH3+])CCCN1C ZINC000418001885 386820725 /nfs/dbraw/zinc/82/07/25/386820725.db2.gz LHSVKJZYNUJREQ-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)C1(N)CC1 ZINC000417843853 386800024 /nfs/dbraw/zinc/80/00/24/386800024.db2.gz VVXXVDIWUIHASB-GFCCVEGCSA-N 1 3 247.342 0.856 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417853330 386802306 /nfs/dbraw/zinc/80/23/06/386802306.db2.gz OVTQZVNOWXCZIB-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](C(=O)N(CC)CC[NH3+])N(CC)CC ZINC000638517264 386804161 /nfs/dbraw/zinc/80/41/61/386804161.db2.gz PYTWMIDBAVYARY-NSHDSACASA-N 1 3 229.368 0.914 20 0 BCADHO C[C@H]1[C@H](NC(=O)N(C)C2C[NH2+]C2)CCCN1C ZINC000417997357 386805293 /nfs/dbraw/zinc/80/52/93/386805293.db2.gz FTOXZAYBIPPEPS-GXSJLCMTSA-N 1 3 240.351 0.082 20 0 BCADHO CC[NH2+]CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000417996242 386805359 /nfs/dbraw/zinc/80/53/59/386805359.db2.gz DRMRMYSUFVAWLO-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]CCNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000417857001 386806083 /nfs/dbraw/zinc/80/60/83/386806083.db2.gz NOEKMZYIMGUQQZ-NXEZZACHSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538781 386832860 /nfs/dbraw/zinc/83/28/60/386832860.db2.gz JJNCQGUDLDTSQA-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538781 386832862 /nfs/dbraw/zinc/83/28/62/386832862.db2.gz JJNCQGUDLDTSQA-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000395073611 386844280 /nfs/dbraw/zinc/84/42/80/386844280.db2.gz NISRXYYQKZQVSK-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)NCCC[NH3+])CCCN1C ZINC000418004224 386848238 /nfs/dbraw/zinc/84/82/38/386848238.db2.gz NXLOJYNCPFRLIR-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418005064 386855192 /nfs/dbraw/zinc/85/51/92/386855192.db2.gz OYYAFTFSVZBKEY-VWYCJHECSA-N 1 3 242.367 0.506 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH+](C)C)N(C)C ZINC000341255086 386867465 /nfs/dbraw/zinc/86/74/65/386867465.db2.gz GTPPDMSJMVXDFG-NWDGAFQWSA-N 1 3 243.395 0.887 20 0 BCADHO CN(C)C1(CNC(=O)N[C@H]2CC[NH2+]C2)CCC1 ZINC000331596489 386874069 /nfs/dbraw/zinc/87/40/69/386874069.db2.gz NKRJBRDJNKLPMO-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000336739781 386899169 /nfs/dbraw/zinc/89/91/69/386899169.db2.gz LSAKFAQYUPCAPF-YIZRAAEISA-N 1 3 231.365 0.015 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335763516 386904142 /nfs/dbraw/zinc/90/41/42/386904142.db2.gz MIOHQRCUTRLDRZ-WCQYABFASA-N 1 3 239.363 0.716 20 0 BCADHO COC[C@H](CC(C)C)NC[C@H](O)C[NH+](C)C ZINC000336763094 386946978 /nfs/dbraw/zinc/94/69/78/386946978.db2.gz LXQFGKPVMLGAJZ-RYUDHWBXSA-N 1 3 232.368 0.560 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CCCN1C ZINC000418013791 386921944 /nfs/dbraw/zinc/92/19/44/386921944.db2.gz ZQPVRIPNUXOEKC-VWYCJHECSA-N 1 3 240.351 0.130 20 0 BCADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1CC[NH2+]C1 ZINC000334818496 386947654 /nfs/dbraw/zinc/94/76/54/386947654.db2.gz JOTZQHALVRXGOP-TZMCWYRMSA-N 1 3 231.343 0.825 20 0 BCADHO C([NH2+][C@H]1CCCSC1)[C@H]1CNCCCO1 ZINC000334873978 386935602 /nfs/dbraw/zinc/93/56/02/386935602.db2.gz MFEYPMOCYDHOFW-WDEREUQCSA-N 1 3 230.377 0.850 20 0 BCADHO c1ccc2c(c1)CCN[C@H]2CN[C@@H]1CC[NH2+]C1 ZINC000334818495 386948146 /nfs/dbraw/zinc/94/81/46/386948146.db2.gz JOTZQHALVRXGOP-OCCSQVGLSA-N 1 3 231.343 0.825 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368376037 386967204 /nfs/dbraw/zinc/96/72/04/386967204.db2.gz KRDDRDOQABHHQG-HOSYDEDBSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000368451896 386973250 /nfs/dbraw/zinc/97/32/50/386973250.db2.gz VVCWVGDGKQDSRZ-HOSYDEDBSA-N 1 3 243.326 0.416 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N(C)CCN(C)C ZINC000358527264 386974676 /nfs/dbraw/zinc/97/46/76/386974676.db2.gz YXCUVYVXSKWPMR-JTQLQIEISA-N 1 3 230.356 0.140 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000334914874 386989401 /nfs/dbraw/zinc/98/94/01/386989401.db2.gz LUNAZGLPDPTFHZ-SNVBAGLBSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000334914874 386989407 /nfs/dbraw/zinc/98/94/07/386989407.db2.gz LUNAZGLPDPTFHZ-SNVBAGLBSA-N 1 3 237.347 0.611 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)CCN1 ZINC000643426049 386996352 /nfs/dbraw/zinc/99/63/52/386996352.db2.gz VSZLHKBIHQXMIA-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000104418485 387004610 /nfs/dbraw/zinc/00/46/10/387004610.db2.gz YWJVTTDCPQVGQL-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000334930447 387006891 /nfs/dbraw/zinc/00/68/91/387006891.db2.gz MSIMXBFFBZUIPW-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C)CC[C@H]1C ZINC000334955434 387033651 /nfs/dbraw/zinc/03/36/51/387033651.db2.gz HKKKUMSLGKGDEF-WDEREUQCSA-N 1 3 242.367 0.317 20 0 BCADHO [NH3+][C@@H](C(=O)NCCN1CCCCC1)C1CCC1 ZINC000399007858 387035832 /nfs/dbraw/zinc/03/58/32/387035832.db2.gz ANIBOUNFTSGIAQ-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H]([NH3+])CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106825 387041877 /nfs/dbraw/zinc/04/18/77/387041877.db2.gz ZZGCWBXFLQHFQO-VIFPVBQESA-N 1 3 248.330 0.793 20 0 BCADHO C[C@@H]([NH3+])CN1CCNC[C@H]1c1ccccc1 ZINC000334966920 387048350 /nfs/dbraw/zinc/04/83/50/387048350.db2.gz HGMQSSXRDRGWDT-YPMHNXCESA-N 1 3 219.332 0.980 20 0 BCADHO [NH3+]C[C@H](NC(=O)[C@@H]1CCCCN1)C1CCCC1 ZINC000333672927 387049285 /nfs/dbraw/zinc/04/92/85/387049285.db2.gz YNBOEOWEAQUYNT-RYUDHWBXSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)CC[N@@H+]1C ZINC000648108008 387051738 /nfs/dbraw/zinc/05/17/38/387051738.db2.gz LGPUMLHALRWNFM-NNYUYHANSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](C)NC[C@@H]2C)CC[N@H+]1C ZINC000648108008 387051741 /nfs/dbraw/zinc/05/17/41/387051741.db2.gz LGPUMLHALRWNFM-NNYUYHANSA-N 1 3 239.363 0.535 20 0 BCADHO COCC[C@H](C)N1CCCO[C@H](C[NH3+])C1 ZINC000313388942 387053135 /nfs/dbraw/zinc/05/31/35/387053135.db2.gz LWLHCIULHGENBD-WDEREUQCSA-N 1 3 216.325 0.461 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC1CCN(C2CC2)CC1 ZINC000070315877 387064847 /nfs/dbraw/zinc/06/48/47/387064847.db2.gz QOIACBXZICIWOV-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCC1([NH3+])CCC1 ZINC000334933126 387009171 /nfs/dbraw/zinc/00/91/71/387009171.db2.gz UIZPXMLYFYMYJE-VHSXEESVSA-N 1 3 240.351 0.260 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000334934369 387010506 /nfs/dbraw/zinc/01/05/06/387010506.db2.gz APCOAERMMSLTSL-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)N1CCCNCC1 ZINC000334939736 387016301 /nfs/dbraw/zinc/01/63/01/387016301.db2.gz FFYFLNDCGPKFJP-MNOVXSKESA-N 1 3 240.351 0.119 20 0 BCADHO C[C@@H]([NH2+]CCC(N)=O)C1=CCN(C)CC1 ZINC000519144222 387019672 /nfs/dbraw/zinc/01/96/72/387019672.db2.gz SYSLBKCUCTXKCP-SECBINFHSA-N 1 3 211.309 0.102 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000334943946 387021810 /nfs/dbraw/zinc/02/18/10/387021810.db2.gz LBBYHOALALUNBF-SECBINFHSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000333296320 387024607 /nfs/dbraw/zinc/02/46/07/387024607.db2.gz PKSSICGZWHCOKN-UMNHJUIQSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000333296319 387025305 /nfs/dbraw/zinc/02/53/05/387025305.db2.gz PKSSICGZWHCOKN-NHCYSSNCSA-N 1 3 237.347 0.467 20 0 BCADHO COC[C@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000359224904 387069088 /nfs/dbraw/zinc/06/90/88/387069088.db2.gz TZLWYMMYTHKKOX-CYBMUJFWSA-N 1 3 242.363 0.723 20 0 BCADHO C[C@H](CO)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766763 387070228 /nfs/dbraw/zinc/07/02/28/387070228.db2.gz OROGFPDSAAVXBO-NWDGAFQWSA-N 1 3 230.352 0.003 20 0 BCADHO CCN(CCNC(=O)N(C)[C@@H](C)C[NH3+])C1CC1 ZINC000417426339 387085430 /nfs/dbraw/zinc/08/54/30/387085430.db2.gz GFRCOLWADUNQQZ-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CCN(CCNC(=O)N(C)[C@H](C)C[NH3+])C1CC1 ZINC000417426341 387085584 /nfs/dbraw/zinc/08/55/84/387085584.db2.gz GFRCOLWADUNQQZ-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000370304257 387106175 /nfs/dbraw/zinc/10/61/75/387106175.db2.gz XKWDHAUCPGLCGX-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370304257 387106180 /nfs/dbraw/zinc/10/61/80/387106180.db2.gz XKWDHAUCPGLCGX-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@]1(F)CNCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647981638 387115105 /nfs/dbraw/zinc/11/51/05/387115105.db2.gz CNFXEHLIYQTQOS-MNOVXSKESA-N 1 3 215.316 0.229 20 0 BCADHO CC(C)N(C)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000193395637 387117302 /nfs/dbraw/zinc/11/73/02/387117302.db2.gz OHFODIOHADNRQW-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000335031656 387127302 /nfs/dbraw/zinc/12/73/02/387127302.db2.gz JYDFBJDWLBRKES-RYUDHWBXSA-N 1 3 239.363 0.844 20 0 BCADHO CCCC[C@H](C[NH3+])N[C@@H]1CCN(CCOC)C1 ZINC000423299715 387128796 /nfs/dbraw/zinc/12/87/96/387128796.db2.gz QMXXUDPJXFZRCC-CHWSQXEVSA-N 1 3 243.395 0.814 20 0 BCADHO CCC[NH2+]CCN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423305964 387141437 /nfs/dbraw/zinc/14/14/37/387141437.db2.gz CWCHAOLEWFSFDN-QWHCGFSZSA-N 1 3 241.379 0.343 20 0 BCADHO CCC[NH2+]CCN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000423305963 387141690 /nfs/dbraw/zinc/14/16/90/387141690.db2.gz CWCHAOLEWFSFDN-OLZOCXBDSA-N 1 3 241.379 0.343 20 0 BCADHO CCCNCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000423309301 387145740 /nfs/dbraw/zinc/14/57/40/387145740.db2.gz KWRCIRFUYMBQDQ-SNVBAGLBSA-N 1 3 227.352 0.633 20 0 BCADHO CCC[NH2+]CCN[C@@H](C)C[C@H]1COCCN1 ZINC000423315289 387154828 /nfs/dbraw/zinc/15/48/28/387154828.db2.gz XFGLUKVLQYDWIJ-RYUDHWBXSA-N 1 3 229.368 0.343 20 0 BCADHO COCCNCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423321748 387165392 /nfs/dbraw/zinc/16/53/92/387165392.db2.gz FSRKPAVHISEASH-NEPJUHHUSA-N 1 3 229.368 0.343 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC3CC3)C[C@H]21 ZINC000571873582 387183723 /nfs/dbraw/zinc/18/37/23/387183723.db2.gz UVQLPCOOCOBHIO-YUSALJHKSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261762 387184718 /nfs/dbraw/zinc/18/47/18/387184718.db2.gz CRMCSGUUJVWIQA-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371261762 387184722 /nfs/dbraw/zinc/18/47/22/387184722.db2.gz CRMCSGUUJVWIQA-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942811 387187090 /nfs/dbraw/zinc/18/70/90/387187090.db2.gz YTHSOZORAFRGBW-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942811 387187093 /nfs/dbraw/zinc/18/70/93/387187093.db2.gz YTHSOZORAFRGBW-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973199 387188958 /nfs/dbraw/zinc/18/89/58/387188958.db2.gz HIUVRCMQLZLMNT-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972975 387190072 /nfs/dbraw/zinc/19/00/72/387190072.db2.gz WTKALDNDVBOZDB-ZJUUUORDSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000370661000 387132668 /nfs/dbraw/zinc/13/26/68/387132668.db2.gz ZSIJTCFBGZLGRM-IUCAKERBSA-N 1 3 248.330 0.649 20 0 BCADHO CC[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000370713562 387136724 /nfs/dbraw/zinc/13/67/24/387136724.db2.gz SIDCCXURFVPMFL-JTQLQIEISA-N 1 3 227.352 0.892 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]CC2(N)CCC2)C1 ZINC000423343143 387192186 /nfs/dbraw/zinc/19/21/86/387192186.db2.gz ZGGVVLOOXYHLQN-WDEREUQCSA-N 1 3 211.353 0.798 20 0 BCADHO C[C@H](C[NH3+])CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423305006 387138989 /nfs/dbraw/zinc/13/89/89/387138989.db2.gz ZXECVMNEDAPHCW-VWYCJHECSA-N 1 3 211.353 0.796 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCCC1 ZINC000353463683 387208268 /nfs/dbraw/zinc/20/82/68/387208268.db2.gz WIJGZIMQAHBHHQ-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[NH2+]CCNC(=O)N[C@@H](C)CN(C)C ZINC000418194043 387215434 /nfs/dbraw/zinc/21/54/34/387215434.db2.gz DMFMXWPGOLWNPH-JTQLQIEISA-N 1 3 230.356 0.235 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418203374 387218256 /nfs/dbraw/zinc/21/82/56/387218256.db2.gz KHDNNBCWRKBOHK-OUAUKWLOSA-N 1 3 242.367 0.234 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000418209678 387221601 /nfs/dbraw/zinc/22/16/01/387221601.db2.gz RXQZGLFVLVFCMD-QWRGUYRKSA-N 1 3 244.383 0.753 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)N[C@H](C)C[NH3+] ZINC000423326310 387228842 /nfs/dbraw/zinc/22/88/42/387228842.db2.gz MMZKQGFCDHYBNR-GHMZBOCLSA-N 1 3 210.325 0.845 20 0 BCADHO CC[NH2+][C@H](C)CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423399504 387233719 /nfs/dbraw/zinc/23/37/19/387233719.db2.gz WHJOXRMGOQRFGA-KGYLQXTDSA-N 1 3 241.379 0.341 20 0 BCADHO CN(C)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000572102397 387234551 /nfs/dbraw/zinc/23/45/51/387234551.db2.gz QMIVHCNECGVNCI-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CN(C)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000572102397 387234554 /nfs/dbraw/zinc/23/45/54/387234554.db2.gz QMIVHCNECGVNCI-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CC[NH2+][C@H](C)CN[C@H](C)C[C@H]1COCCN1 ZINC000423403739 387240971 /nfs/dbraw/zinc/24/09/71/387240971.db2.gz ZLKMWRIXPDOICO-UTUOFQBUSA-N 1 3 229.368 0.341 20 0 BCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410903 387245118 /nfs/dbraw/zinc/24/51/18/387245118.db2.gz ARAAPPVANLOZFR-OPDFLTKYSA-N 1 3 249.358 0.434 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000352483116 387248818 /nfs/dbraw/zinc/24/88/18/387248818.db2.gz YFZUQSKEEZXEPE-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000352483116 387248822 /nfs/dbraw/zinc/24/88/22/387248822.db2.gz YFZUQSKEEZXEPE-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423423767 387250165 /nfs/dbraw/zinc/25/01/65/387250165.db2.gz FDPRGHHYEZFOEX-WSLQDRLSSA-N 1 3 221.348 0.277 20 0 BCADHO COC[C@]1(C[NH2+][C@H](C)[C@H]2CCCO2)CCCN1 ZINC000423422869 387250315 /nfs/dbraw/zinc/25/03/15/387250315.db2.gz ZIZCFOBBZGDCQN-JHJVBQTASA-N 1 3 242.363 0.912 20 0 BCADHO NC(C(=O)NCC[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000353426893 387196812 /nfs/dbraw/zinc/19/68/12/387196812.db2.gz NLOAGVGMUNKCDF-RNFRBKRXSA-N 1 3 239.241 0.134 20 0 BCADHO Cn1cc(CNC2CCC([NH+](C)C)CC2)nn1 ZINC000353671929 387254940 /nfs/dbraw/zinc/25/49/40/387254940.db2.gz MQENQAHBAPWWNF-UHFFFAOYSA-N 1 3 237.351 0.778 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000423378693 387259008 /nfs/dbraw/zinc/25/90/08/387259008.db2.gz MPMAIXKTOGJIHO-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378773 387260050 /nfs/dbraw/zinc/26/00/50/387260050.db2.gz ZVFUBLCUTNALFJ-TUAOUCFPSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423379218 387260614 /nfs/dbraw/zinc/26/06/14/387260614.db2.gz MQOIIVXBHODTLL-QCNOEVLYSA-N 1 3 211.353 0.667 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000648119979 387262340 /nfs/dbraw/zinc/26/23/40/387262340.db2.gz HYPOGRBTDRMZEI-VWYCJHECSA-N 1 3 227.352 0.618 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000520825063 387274736 /nfs/dbraw/zinc/27/47/36/387274736.db2.gz UGKIEHJAGHJDMC-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000520825063 387274740 /nfs/dbraw/zinc/27/47/40/387274740.db2.gz UGKIEHJAGHJDMC-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](CN)OC)c1 ZINC000514788635 387285637 /nfs/dbraw/zinc/28/56/37/387285637.db2.gz WJCCAGDLOKBUSA-LLVKDONJSA-N 1 3 237.303 0.318 20 0 BCADHO COC[C@]1(CN[C@@H]2CN(C)C[C@H]2C)CCC[NH2+]1 ZINC000423439194 387288032 /nfs/dbraw/zinc/28/80/32/387288032.db2.gz VIUZVQNTCSIUOP-JHJVBQTASA-N 1 3 241.379 0.295 20 0 BCADHO COC[C@]1(CN[C@@H]2CN(C)C[C@@H]2C)CCC[NH2+]1 ZINC000423439197 387288831 /nfs/dbraw/zinc/28/88/31/387288831.db2.gz VIUZVQNTCSIUOP-YNEHKIRRSA-N 1 3 241.379 0.295 20 0 BCADHO CO[C@@H]1[C@H](C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423439040 387288867 /nfs/dbraw/zinc/28/88/67/387288867.db2.gz SDFDERYQMNYRDQ-HRRXFJGFSA-N 1 3 224.348 0.853 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCCO[C@H]21 ZINC000423442717 387292596 /nfs/dbraw/zinc/29/25/96/387292596.db2.gz VHBBRRSNZFPSGO-LSUSWQKBSA-N 1 3 236.359 0.997 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444203 387293607 /nfs/dbraw/zinc/29/36/07/387293607.db2.gz WNGNUXZIBJFTHV-IEECTRCBSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423450567 387300577 /nfs/dbraw/zinc/30/05/77/387300577.db2.gz FDPRGHHYEZFOEX-AHRFKUBPSA-N 1 3 221.348 0.277 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H](C)C[NH3+])N(C)C ZINC000423453795 387301802 /nfs/dbraw/zinc/30/18/02/387301802.db2.gz KWOAHRUXZSEDAY-VHSXEESVSA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCC[NH2+]2)CCN1 ZINC000648121419 387308571 /nfs/dbraw/zinc/30/85/71/387308571.db2.gz KDBANWFYXXFTFJ-GHMZBOCLSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502087 387356611 /nfs/dbraw/zinc/35/66/11/387356611.db2.gz XFFOKQRVZSBIKP-GRYCIOLGSA-N 1 3 211.353 0.668 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000423592429 387384352 /nfs/dbraw/zinc/38/43/52/387384352.db2.gz KPXRSGSWQOWPPL-QJPTWQEYSA-N 1 3 241.379 0.831 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000515351612 387371011 /nfs/dbraw/zinc/37/10/11/387371011.db2.gz MULJHITVIIOFPQ-CMPLNLGQSA-N 1 3 243.351 0.080 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+]CCCNC1CC1 ZINC000423554197 387372931 /nfs/dbraw/zinc/37/29/31/387372931.db2.gz LKRNSWLWSGEORK-YPMHNXCESA-N 1 3 241.379 0.485 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCNC1CC1 ZINC000423554195 387373173 /nfs/dbraw/zinc/37/31/73/387373173.db2.gz LKRNSWLWSGEORK-WCQYABFASA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000515384441 387374052 /nfs/dbraw/zinc/37/40/52/387374052.db2.gz RDEUHLZIBKJSDE-CBAPKCEASA-N 1 3 234.303 0.183 20 0 BCADHO COCCN1CC[C@@H](NCCC[NH2+]C2CC2)C1 ZINC000423570874 387379896 /nfs/dbraw/zinc/37/98/96/387379896.db2.gz XGTATZQUBHACBO-CYBMUJFWSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H](NC[C@@H]1CNCCO1)[C@H]1CCCC[NH2+]1 ZINC000423570190 387381089 /nfs/dbraw/zinc/38/10/89/387381089.db2.gz NGSPENQVFLFISB-GRYCIOLGSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473881 387320193 /nfs/dbraw/zinc/32/01/93/387320193.db2.gz GYIYMBHUGIFJHO-AEJSXWLSSA-N 1 3 233.306 0.714 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCN1 ZINC000648121704 387325178 /nfs/dbraw/zinc/32/51/78/387325178.db2.gz QGRDEEAVYHUWDC-WISYIIOYSA-N 1 3 237.347 0.193 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373042528 387341822 /nfs/dbraw/zinc/34/18/22/387341822.db2.gz MDRZXZPVXJMOHF-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373042526 387343274 /nfs/dbraw/zinc/34/32/74/387343274.db2.gz MDRZXZPVXJMOHF-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](NC[C@H]1CNCCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507106 387346324 /nfs/dbraw/zinc/34/63/24/387346324.db2.gz HPJYHWYXOZNWIF-YNEHKIRRSA-N 1 3 240.395 0.010 20 0 BCADHO CCC[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)N(C)C ZINC000423581271 387383667 /nfs/dbraw/zinc/38/36/67/387383667.db2.gz BUWXGGCFJXNBBL-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423837566 387434736 /nfs/dbraw/zinc/43/47/36/387434736.db2.gz AOPWKGNJTWYTTQ-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO NC1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000515847982 387434908 /nfs/dbraw/zinc/43/49/08/387434908.db2.gz WQZGEQUQPKWNAR-UHFFFAOYSA-N 1 3 223.320 0.080 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](N)C(C)(C)C ZINC000423850560 387437934 /nfs/dbraw/zinc/43/79/34/387437934.db2.gz QIHDNEKMKNRVGN-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](N)C(C)(C)C ZINC000423850560 387437941 /nfs/dbraw/zinc/43/79/41/387437941.db2.gz QIHDNEKMKNRVGN-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH2+]CCCC(=O)N(C)CCN(C)C1CC1 ZINC000423850992 387449625 /nfs/dbraw/zinc/44/96/25/387449625.db2.gz QYEQKPKMQOUDEO-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423976625 387458984 /nfs/dbraw/zinc/45/89/84/387458984.db2.gz MUUULFZPJUAAIS-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000423612055 387387738 /nfs/dbraw/zinc/38/77/38/387387738.db2.gz SYZVCWOGPSOPJX-GRYCIOLGSA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@@H](C(=O)N(C)CC[NH+](C)C)N(C)C ZINC000121673037 387393020 /nfs/dbraw/zinc/39/30/20/387393020.db2.gz TUKIXJSLVVKZMB-JTQLQIEISA-N 1 3 215.341 0.347 20 0 BCADHO CCC[C@H](C(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000423678513 387396088 /nfs/dbraw/zinc/39/60/88/387396088.db2.gz JCIPCXWCUUVARL-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO C[NH2+]CCC(=O)NCc1ccc(CN(C)C)cc1 ZINC000423721804 387403295 /nfs/dbraw/zinc/40/32/95/387403295.db2.gz FXNMKSYJAKRWOS-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423967927 387460644 /nfs/dbraw/zinc/46/06/44/387460644.db2.gz TXIRVTKSPLZCFO-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423749935 387409485 /nfs/dbraw/zinc/40/94/85/387409485.db2.gz WODCHDKKZMGPGU-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)CN ZINC000423766112 387419189 /nfs/dbraw/zinc/41/91/89/387419189.db2.gz CHKXWYRLLGECHH-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)CN ZINC000423766112 387419192 /nfs/dbraw/zinc/41/91/92/387419192.db2.gz CHKXWYRLLGECHH-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041722 387421161 /nfs/dbraw/zinc/42/11/61/387421161.db2.gz WKADYBDACUZWDS-LLVKDONJSA-N 1 3 227.352 0.713 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCN2CCC(O)CC2)C1 ZINC000321776524 387506312 /nfs/dbraw/zinc/50/63/12/387506312.db2.gz HBKSSVFNZUKXNL-NWDGAFQWSA-N 1 3 241.379 0.303 20 0 BCADHO CC(C)N(C)CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375257529 387518007 /nfs/dbraw/zinc/51/80/07/387518007.db2.gz YUQQSHLVEVOXSE-CNDDSTCGSA-N 1 3 239.363 0.807 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)CCC[NH2+]C ZINC000424016062 387465674 /nfs/dbraw/zinc/46/56/74/387465674.db2.gz BBOGDXFGXBTXEF-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@H](C)NC ZINC000514679637 387541837 /nfs/dbraw/zinc/54/18/37/387541837.db2.gz OLNUACQMVUMOEO-QMMMGPOBSA-N 1 3 201.314 0.228 20 0 BCADHO C[NH2+][C@H](C)Cc1noc(C2(CN)CCCC2)n1 ZINC000516180997 387468935 /nfs/dbraw/zinc/46/89/35/387468935.db2.gz YNHMXYNMRSITDZ-SECBINFHSA-N 1 3 238.335 0.991 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000374630505 387475747 /nfs/dbraw/zinc/47/57/47/387475747.db2.gz KPPRIRIKIMTQJT-IVZWLZJFSA-N 1 3 223.320 0.064 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCC[NH2+]C1CC1 ZINC000643507197 387476190 /nfs/dbraw/zinc/47/61/90/387476190.db2.gz VNVFJIJJSVVZSB-MFKMUULPSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424078327 387481279 /nfs/dbraw/zinc/48/12/79/387481279.db2.gz QLBDXJMNKDRWKK-NHCYSSNCSA-N 1 3 247.342 0.886 20 0 BCADHO C[C@H](N)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000374805326 387492456 /nfs/dbraw/zinc/49/24/56/387492456.db2.gz IFGYPZCEIDVALY-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CN(CC[NH+](C)C)C(=O)[C@H]1CCCN1C1CC1 ZINC000426686565 387585933 /nfs/dbraw/zinc/58/59/33/387585933.db2.gz GAOZNKKHGVPZTD-GFCCVEGCSA-N 1 3 239.363 0.633 20 0 BCADHO CCC[C@H](C(=O)N1CCC[NH2+]CC1)N(C)C ZINC000422716785 387628320 /nfs/dbraw/zinc/62/83/20/387628320.db2.gz VHIAFPUBMPMZAS-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)C1CCC1 ZINC000422534762 387595390 /nfs/dbraw/zinc/59/53/90/387595390.db2.gz BKSMRBJJTXDKKM-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)C1CCC1 ZINC000422539431 387596620 /nfs/dbraw/zinc/59/66/20/387596620.db2.gz KJSGPXVSAJDQAL-VHSXEESVSA-N 1 3 213.325 0.213 20 0 BCADHO C[N@H+](CCNC(=O)[C@@H]1C[C@@H]1N)C1CCCCC1 ZINC000424127488 387603242 /nfs/dbraw/zinc/60/32/42/387603242.db2.gz DIZSPGFFGBWDQA-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@@H+](CCNC(=O)[C@@H]1C[C@@H]1N)C1CCCCC1 ZINC000424127488 387603244 /nfs/dbraw/zinc/60/32/44/387603244.db2.gz DIZSPGFFGBWDQA-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422603798 387606090 /nfs/dbraw/zinc/60/60/90/387606090.db2.gz ADFSFYYMYVYADX-QWRGUYRKSA-N 1 3 242.367 0.317 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@H]1CCCN1C ZINC000422614450 387606967 /nfs/dbraw/zinc/60/69/67/387606967.db2.gz YQVCKGUWZKYXKO-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CCC[C@H](C(=O)N1CCC[C@H]([NH3+])C1)N(C)C ZINC000422682784 387610412 /nfs/dbraw/zinc/61/04/12/387610412.db2.gz BPHMCWYTPPZOLF-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422716972 387629336 /nfs/dbraw/zinc/62/93/36/387629336.db2.gz VBEWELUKZXXHDK-NWDGAFQWSA-N 1 3 241.379 0.567 20 0 BCADHO CCC(CC)[C@@H](O)CN[C@H](C)C1C[NH2+]C1 ZINC000422700874 387615016 /nfs/dbraw/zinc/61/50/16/387615016.db2.gz AYBMKJCRZQUJQN-SKDRFNHKSA-N 1 3 214.353 0.981 20 0 BCADHO CCC(CC)[C@@H](O)C[NH2+][C@H](C)C1CNC1 ZINC000422700874 387615018 /nfs/dbraw/zinc/61/50/18/387615018.db2.gz AYBMKJCRZQUJQN-SKDRFNHKSA-N 1 3 214.353 0.981 20 0 BCADHO CN(CCN[C@@H]1CCC[C@@H]1[NH3+])CC(F)(F)F ZINC000422702243 387619206 /nfs/dbraw/zinc/61/92/06/387619206.db2.gz DPVPSBKRJROYRX-DTWKUNHWSA-N 1 3 239.285 0.950 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCOC[C@@H]1C ZINC000422707527 387620709 /nfs/dbraw/zinc/62/07/09/387620709.db2.gz AHJPGZFMZGQCCL-TUAOUCFPSA-N 1 3 229.368 0.423 20 0 BCADHO CCC[C@@H](C(=O)NCCC[NH3+])N(C)C ZINC000422710471 387624666 /nfs/dbraw/zinc/62/46/66/387624666.db2.gz LIEYZYAIPKMFDP-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CN1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000527533829 387625357 /nfs/dbraw/zinc/62/53/57/387625357.db2.gz VYXKDVCXLOYYEY-GFCCVEGCSA-N 1 3 223.364 0.955 20 0 BCADHO CC(C)[C@@H](C(=O)NCCN(C)C1CC1)[C@H](C)[NH3+] ZINC000399626341 387564176 /nfs/dbraw/zinc/56/41/76/387564176.db2.gz DREROQHYDLTPDK-CMPLNLGQSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430617044 387633140 /nfs/dbraw/zinc/63/31/40/387633140.db2.gz JPSOKVUTWIHEKT-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000422728509 387637549 /nfs/dbraw/zinc/63/75/49/387637549.db2.gz JESOFHNZHHQDMH-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C(=O)NCC[N@H+](CC)C1CC1)N(C)C ZINC000125114711 387643009 /nfs/dbraw/zinc/64/30/09/387643009.db2.gz SEGCDRZHUDOBJK-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@@H](C(=O)NCC[N@@H+](CC)C1CC1)N(C)C ZINC000125114711 387643012 /nfs/dbraw/zinc/64/30/12/387643012.db2.gz SEGCDRZHUDOBJK-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCCN1CCOCC1 ZINC000422735625 387643868 /nfs/dbraw/zinc/64/38/68/387643868.db2.gz WJKBNCBPLXCSDR-QWHCGFSZSA-N 1 3 241.379 0.296 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000430772644 387648907 /nfs/dbraw/zinc/64/89/07/387648907.db2.gz CIDZKZSKHQOCIU-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000422746673 387651079 /nfs/dbraw/zinc/65/10/79/387651079.db2.gz OCJMIRBYSZSWNY-RYUDHWBXSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1C ZINC000430783608 387651212 /nfs/dbraw/zinc/65/12/12/387651212.db2.gz MZVHILXFVFFRAM-UWVGGRQHSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1C ZINC000430783608 387651216 /nfs/dbraw/zinc/65/12/16/387651216.db2.gz MZVHILXFVFFRAM-UWVGGRQHSA-N 1 3 225.336 0.419 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CC[NH2+]C1)N(C)C ZINC000422746814 387651861 /nfs/dbraw/zinc/65/18/61/387651861.db2.gz OIVWZNUIRXRZAR-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1C ZINC000430783609 387652293 /nfs/dbraw/zinc/65/22/93/387652293.db2.gz MZVHILXFVFFRAM-VHSXEESVSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1C ZINC000430783609 387652297 /nfs/dbraw/zinc/65/22/97/387652297.db2.gz MZVHILXFVFFRAM-VHSXEESVSA-N 1 3 225.336 0.419 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC)C[C@H]1C ZINC000430796236 387652492 /nfs/dbraw/zinc/65/24/92/387652492.db2.gz KBFMNTYSUZPYOJ-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC)C[C@H]1C ZINC000430796236 387652494 /nfs/dbraw/zinc/65/24/94/387652494.db2.gz KBFMNTYSUZPYOJ-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CNCC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000430802243 387653645 /nfs/dbraw/zinc/65/36/45/387653645.db2.gz KTNALVGEXCFZTA-GFCCVEGCSA-N 1 3 239.363 0.396 20 0 BCADHO CNCC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000430802243 387653649 /nfs/dbraw/zinc/65/36/49/387653649.db2.gz KTNALVGEXCFZTA-GFCCVEGCSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000422747964 387654138 /nfs/dbraw/zinc/65/41/38/387654138.db2.gz ZZPDKEWRXBVXFB-CYDGBPFRSA-N 1 3 243.395 0.811 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000422747964 387654141 /nfs/dbraw/zinc/65/41/41/387654141.db2.gz ZZPDKEWRXBVXFB-CYDGBPFRSA-N 1 3 243.395 0.811 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430899587 387658770 /nfs/dbraw/zinc/65/87/70/387658770.db2.gz MECWOTGCYAKNGR-ONGXEEELSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H]1CN(CCCN2CCOCC2)CC[C@H]1[NH3+] ZINC000430919575 387661127 /nfs/dbraw/zinc/66/11/27/387661127.db2.gz LRJNCNGQJAOXFF-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO CCCCNC(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430968665 387664636 /nfs/dbraw/zinc/66/46/36/387664636.db2.gz ATTUKYNWUPOYQR-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCC(C)(C)N1CCOCC1 ZINC000422765958 387664713 /nfs/dbraw/zinc/66/47/13/387664713.db2.gz WOHOQZPSOXIIKS-NEPJUHHUSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@@H](N)C[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765958 387664715 /nfs/dbraw/zinc/66/47/15/387664715.db2.gz WOHOQZPSOXIIKS-NEPJUHHUSA-N 1 3 243.395 0.813 20 0 BCADHO CCC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N(C)C ZINC000422768898 387668268 /nfs/dbraw/zinc/66/82/68/387668268.db2.gz OFNYVZCMVGCUSA-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000305966089 387668401 /nfs/dbraw/zinc/66/84/01/387668401.db2.gz XUJIOXPHUDYDNB-UPJWGTAASA-N 1 3 242.363 0.600 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000305966089 387668405 /nfs/dbraw/zinc/66/84/05/387668405.db2.gz XUJIOXPHUDYDNB-UPJWGTAASA-N 1 3 242.363 0.600 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@H]([NH3+])C1)N(C)C ZINC000422768901 387669062 /nfs/dbraw/zinc/66/90/62/387669062.db2.gz OFNYVZCMVGCUSA-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CN1C1CC1 ZINC000431027954 387669528 /nfs/dbraw/zinc/66/95/28/387669528.db2.gz ZPAHDVCCEIZOHM-VHSXEESVSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)N(C)C ZINC000422770422 387669717 /nfs/dbraw/zinc/66/97/17/387669717.db2.gz WPBPBZRWVQOUMI-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CN1C1CC1 ZINC000431027953 387671084 /nfs/dbraw/zinc/67/10/84/387671084.db2.gz ZPAHDVCCEIZOHM-UWVGGRQHSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)N(C)C ZINC000422775038 387672771 /nfs/dbraw/zinc/67/27/71/387672771.db2.gz ZNIBPWOLNQFUSQ-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@H](O)CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422776547 387674592 /nfs/dbraw/zinc/67/45/92/387674592.db2.gz CWEZACPAHWDGFH-GMTAPVOTSA-N 1 3 200.326 0.863 20 0 BCADHO CCC[C@@H](C(=O)NCC[NH2+]C)N(C)C ZINC000422780133 387677776 /nfs/dbraw/zinc/67/77/76/387677776.db2.gz JWOPPAYXKMRWMQ-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CCC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000422794692 387696225 /nfs/dbraw/zinc/69/62/25/387696225.db2.gz ZIWJXOAGPAQPHH-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000376984494 387684481 /nfs/dbraw/zinc/68/44/81/387684481.db2.gz ASDVNDMLVNVENC-PWSUYJOCSA-N 1 3 227.352 0.762 20 0 BCADHO CCC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000422865264 387746227 /nfs/dbraw/zinc/74/62/27/387746227.db2.gz XLVSDCZOHGKGOP-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000377739768 387747315 /nfs/dbraw/zinc/74/73/15/387747315.db2.gz BPQSCDIRBPWXKG-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424143134 387749452 /nfs/dbraw/zinc/74/94/52/387749452.db2.gz ZBFAADFXAVQNHZ-OLZOCXBDSA-N 1 3 247.342 0.712 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000422871528 387749660 /nfs/dbraw/zinc/74/96/60/387749660.db2.gz DABCFPYVAVJJSH-SCVCMEIPSA-N 1 3 209.337 0.421 20 0 BCADHO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000441374704 387754668 /nfs/dbraw/zinc/75/46/68/387754668.db2.gz GOGNIYJNGLTYPB-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000422801810 387703030 /nfs/dbraw/zinc/70/30/30/387703030.db2.gz AQLFUHMSHFTCML-NEPJUHHUSA-N 1 3 211.353 0.942 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1NCCN1CCCCC1 ZINC000422801810 387703032 /nfs/dbraw/zinc/70/30/32/387703032.db2.gz AQLFUHMSHFTCML-NEPJUHHUSA-N 1 3 211.353 0.942 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N(C)C ZINC000629614004 387713290 /nfs/dbraw/zinc/71/32/90/387713290.db2.gz VCNAZPZMRWDSCV-LPEHRKFASA-N 1 3 231.315 0.143 20 0 BCADHO CCC[C@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000422820381 387717149 /nfs/dbraw/zinc/71/71/49/387717149.db2.gz QGTOLAODEUSQAR-SDDRHHMPSA-N 1 3 241.379 0.926 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)C12CCCN1CCC2 ZINC000422828609 387724325 /nfs/dbraw/zinc/72/43/25/387724325.db2.gz ONNXADMYWWADGR-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424142523 387732779 /nfs/dbraw/zinc/73/27/79/387732779.db2.gz YKHXNEBCUBMROU-CHWFTXMASA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424142523 387732788 /nfs/dbraw/zinc/73/27/88/387732788.db2.gz YKHXNEBCUBMROU-CHWFTXMASA-N 1 3 223.320 0.077 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424142708 387738092 /nfs/dbraw/zinc/73/80/92/387738092.db2.gz ITRASRYKDXAVGT-YTWAJWBKSA-N 1 3 225.336 0.323 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000377749617 387738860 /nfs/dbraw/zinc/73/88/60/387738860.db2.gz WNAIHSWHWKSMEN-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367644233 387738938 /nfs/dbraw/zinc/73/89/38/387738938.db2.gz SHFTYHZHDCYTCB-QMMMGPOBSA-N 1 3 234.303 0.261 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000422856565 387742395 /nfs/dbraw/zinc/74/23/95/387742395.db2.gz WYIQCVIBHHYEOR-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H](NC[C@H]1CCCN1C)[C@H]1CCC[NH2+]1 ZINC000422897771 387766768 /nfs/dbraw/zinc/76/67/68/387766768.db2.gz CSTRFOWYWHOWTK-IJLUTSLNSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000441599600 387770611 /nfs/dbraw/zinc/77/06/11/387770611.db2.gz OYUDLYLSSGSYLK-ZYHUDNBSSA-N 1 3 235.331 0.788 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000441599598 387771220 /nfs/dbraw/zinc/77/12/20/387771220.db2.gz OYUDLYLSSGSYLK-JQWIXIFHSA-N 1 3 235.331 0.788 20 0 BCADHO C[C@H](CCN1CCOCC1)[NH2+][C@H](C)C[C@H](C)N ZINC000422913162 387771521 /nfs/dbraw/zinc/77/15/21/387771521.db2.gz PCXIFBUIEQZHTO-YNEHKIRRSA-N 1 3 243.395 0.813 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@]1(F)CCNC1 ZINC000378202077 387772175 /nfs/dbraw/zinc/77/21/75/387772175.db2.gz FNGQYMVPNQIGEC-LBPRGKRZSA-N 1 3 245.342 0.392 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000157355378 387787911 /nfs/dbraw/zinc/78/79/11/387787911.db2.gz AHLIZCMHGWHKRJ-AEJSXWLSSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000157355378 387787914 /nfs/dbraw/zinc/78/79/14/387787914.db2.gz AHLIZCMHGWHKRJ-AEJSXWLSSA-N 1 3 213.325 0.132 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424151602 387793169 /nfs/dbraw/zinc/79/31/69/387793169.db2.gz IBUQLLWTKURFTJ-KXNHARMFSA-N 1 3 237.347 0.419 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000422982916 387794405 /nfs/dbraw/zinc/79/44/05/387794405.db2.gz YEFAKYWGYIPQPM-SDDRHHMPSA-N 1 3 230.352 0.504 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000193566424 387795454 /nfs/dbraw/zinc/79/54/54/387795454.db2.gz ALTKNOAHQHZACR-HBNTYKKESA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000432534032 387800473 /nfs/dbraw/zinc/80/04/73/387800473.db2.gz BNSAPEQLJIOMHQ-UTUOFQBUSA-N 1 3 241.379 0.687 20 0 BCADHO C[C@H]1CN(C)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990240 387800862 /nfs/dbraw/zinc/80/08/62/387800862.db2.gz MYZUIOXGLABICH-NOOOWODRSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@H]1CN(C)C[C@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422990240 387800863 /nfs/dbraw/zinc/80/08/63/387800863.db2.gz MYZUIOXGLABICH-NOOOWODRSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990242 387801089 /nfs/dbraw/zinc/80/10/89/387801089.db2.gz MYZUIOXGLABICH-WISYIIOYSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422990242 387801090 /nfs/dbraw/zinc/80/10/90/387801090.db2.gz MYZUIOXGLABICH-WISYIIOYSA-N 1 3 211.353 0.524 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442616683 387807402 /nfs/dbraw/zinc/80/74/02/387807402.db2.gz BTRPSDGMPZTMRT-WDEREUQCSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)NC[C@H](C)[NH3+] ZINC000643526929 387759734 /nfs/dbraw/zinc/75/97/34/387759734.db2.gz HQIDEHMUBMUOGF-WDEREUQCSA-N 1 3 210.325 0.845 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000442711694 387826694 /nfs/dbraw/zinc/82/66/94/387826694.db2.gz FEMLAZJQVNIQEZ-OUAUKWLOSA-N 1 3 227.352 0.748 20 0 BCADHO CCC(CC)(CO)CN[C@H](C)C1C[NH2+]C1 ZINC000423005440 387828792 /nfs/dbraw/zinc/82/87/92/387828792.db2.gz SCMOZEDOLUQMCI-SNVBAGLBSA-N 1 3 214.353 0.983 20 0 BCADHO CCC(CC)(CO)C[NH2+][C@H](C)C1CNC1 ZINC000423005440 387828799 /nfs/dbraw/zinc/82/87/99/387828799.db2.gz SCMOZEDOLUQMCI-SNVBAGLBSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCCN1CCOCC1 ZINC000442789399 387840905 /nfs/dbraw/zinc/84/09/05/387840905.db2.gz ZDJJHNMMPUEHIM-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCCN1CCOCC1 ZINC000442789399 387840910 /nfs/dbraw/zinc/84/09/10/387840910.db2.gz ZDJJHNMMPUEHIM-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCCN1CCOCC1 ZINC000442789399 387840912 /nfs/dbraw/zinc/84/09/12/387840912.db2.gz ZDJJHNMMPUEHIM-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCCN1CCOCC1 ZINC000442789394 387841604 /nfs/dbraw/zinc/84/16/04/387841604.db2.gz ZDJJHNMMPUEHIM-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCCN1CCOCC1 ZINC000442789394 387841608 /nfs/dbraw/zinc/84/16/08/387841608.db2.gz ZDJJHNMMPUEHIM-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCCN1CCOCC1 ZINC000442789394 387841613 /nfs/dbraw/zinc/84/16/13/387841613.db2.gz ZDJJHNMMPUEHIM-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000442794564 387842383 /nfs/dbraw/zinc/84/23/83/387842383.db2.gz TZBCZGSHPODVQO-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000442794564 387842386 /nfs/dbraw/zinc/84/23/86/387842386.db2.gz TZBCZGSHPODVQO-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442794564 387842391 /nfs/dbraw/zinc/84/23/91/387842391.db2.gz TZBCZGSHPODVQO-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO COC[C@H](NC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000433007113 387849107 /nfs/dbraw/zinc/84/91/07/387849107.db2.gz UERBQPUEXUQILZ-QWHCGFSZSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H](NC[C@]1(O)CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033441 387849711 /nfs/dbraw/zinc/84/97/11/387849711.db2.gz GRQNZEXYXHDOEF-FRRDWIJNSA-N 1 3 241.379 0.173 20 0 BCADHO COC[C@@H](C[NH2+][C@H](C)[C@@H]1CCCCN1)OC ZINC000423038475 387853234 /nfs/dbraw/zinc/85/32/34/387853234.db2.gz CWQZUZILKJPMAU-UTUOFQBUSA-N 1 3 230.352 0.768 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[C@@H](O)C1 ZINC000423074320 387874626 /nfs/dbraw/zinc/87/46/26/387874626.db2.gz UNQJKNAKTOZMGL-KXNHARMFSA-N 1 3 212.337 0.735 20 0 BCADHO CO[C@H](C)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423061902 387867615 /nfs/dbraw/zinc/86/76/15/387867615.db2.gz RWNLYSSEJXSWQK-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423061902 387867620 /nfs/dbraw/zinc/86/76/20/387867620.db2.gz RWNLYSSEJXSWQK-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H](NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCC[NH2+]1 ZINC000643538344 387877192 /nfs/dbraw/zinc/87/71/92/387877192.db2.gz HHDPYVKDSARGCW-NAKRPEOUSA-N 1 3 215.316 0.417 20 0 BCADHO C[C@@H](NC[C@@H]1C[C@H](F)CN1)[C@H]1CCC[NH2+]1 ZINC000643538346 387878301 /nfs/dbraw/zinc/87/83/01/387878301.db2.gz HHDPYVKDSARGCW-VPOLOUISSA-N 1 3 215.316 0.417 20 0 BCADHO CC[C@@H]1CN(CCN[C@@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000423085075 387879222 /nfs/dbraw/zinc/87/92/22/387879222.db2.gz JGDUDHLDGJNAAU-FRRDWIJNSA-N 1 3 243.395 0.813 20 0 BCADHO CN(CCNC(=O)[C@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645745885 387884142 /nfs/dbraw/zinc/88/41/42/387884142.db2.gz UFUHYSQVJAAULN-SNVBAGLBSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CCNC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423095244 387885931 /nfs/dbraw/zinc/88/59/31/387885931.db2.gz LTDVYGBIVFBPTD-CHWSQXEVSA-N 1 3 223.364 0.836 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423133976 387911150 /nfs/dbraw/zinc/91/11/50/387911150.db2.gz QYROEHKQPCDSNT-OUAUKWLOSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423133976 387911153 /nfs/dbraw/zinc/91/11/53/387911153.db2.gz QYROEHKQPCDSNT-OUAUKWLOSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](CO)C1 ZINC000423156965 387937275 /nfs/dbraw/zinc/93/72/75/387937275.db2.gz LUXYVHUNBLWSHA-WYUUTHIRSA-N 1 3 212.337 0.735 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1N[C@H]1CC[C@@H](CO)C1 ZINC000423156963 387936798 /nfs/dbraw/zinc/93/67/98/387936798.db2.gz LUXYVHUNBLWSHA-WHOHXGKFSA-N 1 3 212.337 0.735 20 0 BCADHO CN(C)[C@H](CNC(=O)CC[NH3+])Cc1ccccc1 ZINC000237190480 387924822 /nfs/dbraw/zinc/92/48/22/387924822.db2.gz AVRJWRQNPLFRDH-ZDUSSCGKSA-N 1 3 249.358 0.624 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CCCCN1CCO ZINC000423149578 387927865 /nfs/dbraw/zinc/92/78/65/387927865.db2.gz XUPNWBODHGOJFY-AVGNSLFASA-N 1 3 243.395 0.549 20 0 BCADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])C(=O)NC ZINC000423167612 387952082 /nfs/dbraw/zinc/95/20/82/387952082.db2.gz SPVPMYMPEFHELY-OUAUKWLOSA-N 1 3 227.352 0.618 20 0 BCADHO CCN1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000423158418 387938383 /nfs/dbraw/zinc/93/83/83/387938383.db2.gz WRUCLGACZUXLOB-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000156222960 387942648 /nfs/dbraw/zinc/94/26/48/387942648.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156222960 387942652 /nfs/dbraw/zinc/94/26/52/387942652.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156222960 387942656 /nfs/dbraw/zinc/94/26/56/387942656.db2.gz RKWKSVBYEUNOLE-STQMWFEESA-N 1 3 243.395 0.637 20 0 BCADHO CCN(C)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000158784275 387962886 /nfs/dbraw/zinc/96/28/86/387962886.db2.gz FZFFEUOCBCYWMG-NWDGAFQWSA-N 1 3 213.369 0.868 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000423196999 387981611 /nfs/dbraw/zinc/98/16/11/387981611.db2.gz XENIDKKPRFSLPM-WZRBSPASSA-N 1 3 223.364 0.811 20 0 BCADHO Cc1ccnc([C@@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423200633 387987523 /nfs/dbraw/zinc/98/75/23/387987523.db2.gz GBHBBFVXHWVQBN-CYBMUJFWSA-N 1 3 248.374 0.946 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@H]2CCC[NH2+]C2)C1 ZINC000423217482 387999910 /nfs/dbraw/zinc/99/99/10/387999910.db2.gz UGOFLYPCPCCUEY-RWMBFGLXSA-N 1 3 225.380 0.916 20 0 BCADHO CCN1C[C@H](NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217483 388000492 /nfs/dbraw/zinc/00/04/92/388000492.db2.gz UGOFLYPCPCCUEY-XQQFMLRXSA-N 1 3 225.380 0.916 20 0 BCADHO CN1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000080993805 388005497 /nfs/dbraw/zinc/00/54/97/388005497.db2.gz FRFNDHLYENEHHE-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@H](Cn1cncn1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424371799 387996653 /nfs/dbraw/zinc/99/66/53/387996653.db2.gz GPXPLPVOXKYQPD-QJPTWQEYSA-N 1 3 237.351 0.916 20 0 BCADHO COC[C@H](C)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253196017 135123686 /nfs/dbraw/zinc/12/36/86/135123686.db2.gz SGHOMHGISUMJJO-GARJFASQSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253196017 135123689 /nfs/dbraw/zinc/12/36/89/135123689.db2.gz SGHOMHGISUMJJO-GARJFASQSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253196017 135123690 /nfs/dbraw/zinc/12/36/90/135123690.db2.gz SGHOMHGISUMJJO-GARJFASQSA-N 1 3 200.326 0.938 20 0 BCADHO C(N[C@@H](C1CC1)[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423234638 388019069 /nfs/dbraw/zinc/01/90/69/388019069.db2.gz MFNJDYAXWDZQRA-AVGNSLFASA-N 1 3 239.363 0.095 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](C1CC1)[C@H]1CNCCO1 ZINC000423256201 388037145 /nfs/dbraw/zinc/03/71/45/388037145.db2.gz BMMSIJQCHRXKFI-CYZMBNFOSA-N 1 3 241.379 0.199 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423264008 388041608 /nfs/dbraw/zinc/04/16/08/388041608.db2.gz PLKBKJPOCPRKEL-KOLCDFICSA-N 1 3 227.352 0.748 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](C)[C@H]1CCCO1 ZINC000423274884 388055409 /nfs/dbraw/zinc/05/54/09/388055409.db2.gz MKJJYEZGBAYFBX-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CCN1C[C@H](NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000423277349 388058380 /nfs/dbraw/zinc/05/83/80/388058380.db2.gz PXLXMLBCRWYYSP-WOPDTQHZSA-N 1 3 213.369 0.772 20 0 BCADHO NC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000083834690 388063212 /nfs/dbraw/zinc/06/32/12/388063212.db2.gz ZJVRBCNEHVFSTB-VIFPVBQESA-N 1 3 223.320 0.078 20 0 BCADHO NC1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000083834690 388063217 /nfs/dbraw/zinc/06/32/17/388063217.db2.gz ZJVRBCNEHVFSTB-VIFPVBQESA-N 1 3 223.320 0.078 20 0 BCADHO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)N)CC1 ZINC000083889461 388064984 /nfs/dbraw/zinc/06/49/84/388064984.db2.gz ADIXFBJPJOLLTI-UHFFFAOYSA-N 1 3 241.379 0.960 20 0 BCADHO CCN1C[C@H]([NH2+]C[C@@H](N)C(C)C)[C@@H](C)C1 ZINC000423285274 388068508 /nfs/dbraw/zinc/06/85/08/388068508.db2.gz YZPUEHKUKQQGMF-TUAOUCFPSA-N 1 3 213.369 0.900 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](N)C(C)C)C1 ZINC000423285270 388070000 /nfs/dbraw/zinc/07/00/00/388070000.db2.gz YZPUEHKUKQQGMF-SDDRHHMPSA-N 1 3 213.369 0.900 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000085368460 388086265 /nfs/dbraw/zinc/08/62/65/388086265.db2.gz MOBNGBUJBDDESE-GRYCIOLGSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000646216793 388167220 /nfs/dbraw/zinc/16/72/20/388167220.db2.gz XTAHQCBEMHMXRG-NAKRPEOUSA-N 1 3 242.367 0.504 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000646297881 388178061 /nfs/dbraw/zinc/17/80/61/388178061.db2.gz WMIRVVQPLDWRBK-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070708 388136717 /nfs/dbraw/zinc/13/67/17/388136717.db2.gz KTBMNYFTNPNLAK-QWRGUYRKSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1CC ZINC000449078814 388140087 /nfs/dbraw/zinc/14/00/87/388140087.db2.gz YTYOOZCJEMZDLV-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449085090 388140759 /nfs/dbraw/zinc/14/07/59/388140759.db2.gz KENNZTNJVBQFLQ-ONGXEEELSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC1(C[NH3+])CCCC1 ZINC000449113574 388144890 /nfs/dbraw/zinc/14/48/90/388144890.db2.gz GYDFVTORYYRKAK-VIFPVBQESA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000449123759 388145561 /nfs/dbraw/zinc/14/55/61/388145561.db2.gz ORBZILNQLOPXII-HOSYDEDBSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000449120346 388145601 /nfs/dbraw/zinc/14/56/01/388145601.db2.gz CQYGVEPVYNJABO-JFGNBEQYSA-N 1 3 239.363 0.713 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449144281 388148186 /nfs/dbraw/zinc/14/81/86/388148186.db2.gz SKPDWHHWYUVHMB-ONGXEEELSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661772 388249724 /nfs/dbraw/zinc/24/97/24/388249724.db2.gz DHOMPDGDQWLGNW-VIFPVBQESA-N 1 3 249.305 0.440 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000449665132 388250284 /nfs/dbraw/zinc/25/02/84/388250284.db2.gz MQBQMTUOWGXXAW-IUCAKERBSA-N 1 3 249.305 0.331 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449662890 388250405 /nfs/dbraw/zinc/25/04/05/388250405.db2.gz HJYFRPICNJUEFT-VIFPVBQESA-N 1 3 249.305 0.442 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000449402234 388195615 /nfs/dbraw/zinc/19/56/15/388195615.db2.gz QEVXDAVEUSGCOX-ATZCPNFKSA-N 1 3 225.336 0.241 20 0 BCADHO C[NH+](C)CCCCNC(=O)C1(N)CCC1 ZINC000088050954 256540439 /nfs/dbraw/zinc/54/04/39/256540439.db2.gz UZPSFSRTKAJYEB-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000489494612 388218384 /nfs/dbraw/zinc/21/83/84/388218384.db2.gz VMYPYLRDGVJMSS-NWDGAFQWSA-N 1 3 241.379 0.994 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449599824 388239953 /nfs/dbraw/zinc/23/99/53/388239953.db2.gz HRVNKSKRYZKYNB-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449599347 388240044 /nfs/dbraw/zinc/24/00/44/388240044.db2.gz GJDFLTWLFAIZTA-VGMNWLOBSA-N 1 3 201.314 0.356 20 0 BCADHO COCCC[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000164643313 388241862 /nfs/dbraw/zinc/24/18/62/388241862.db2.gz VRCWCNJNNQSDDA-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO COCCC[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000164643313 388241865 /nfs/dbraw/zinc/24/18/65/388241865.db2.gz VRCWCNJNNQSDDA-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO COCCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164643313 388241867 /nfs/dbraw/zinc/24/18/67/388241867.db2.gz VRCWCNJNNQSDDA-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449623447 388244107 /nfs/dbraw/zinc/24/41/07/388244107.db2.gz LRRPFTUKRMLERJ-QMMMGPOBSA-N 1 3 237.294 0.425 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449624868 388244881 /nfs/dbraw/zinc/24/48/81/388244881.db2.gz NZHWTHBZVGHDJY-YUMQZZPRSA-N 1 3 237.294 0.603 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449640439 388247757 /nfs/dbraw/zinc/24/77/57/388247757.db2.gz BFEPTCZBFJZUFS-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO O[C@@H](C[NH2+]CCOCCF)CN1CCCC1 ZINC000629585559 388283168 /nfs/dbraw/zinc/28/31/68/388283168.db2.gz WONAAIZELNVWEL-NSHDSACASA-N 1 3 234.315 0.019 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000491883754 388326095 /nfs/dbraw/zinc/32/60/95/388326095.db2.gz LMIGQTQRNWMPAM-FOQNGQEVSA-N 1 3 239.363 0.514 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000491883754 388326096 /nfs/dbraw/zinc/32/60/96/388326096.db2.gz LMIGQTQRNWMPAM-FOQNGQEVSA-N 1 3 239.363 0.514 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000491890738 388326453 /nfs/dbraw/zinc/32/64/53/388326453.db2.gz IBMKDPPDSQSSHG-XUIVZRPNSA-N 1 3 227.352 0.561 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336368 388262510 /nfs/dbraw/zinc/26/25/10/388262510.db2.gz QAXLCNYODHNZRA-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO COCC(C)(C)C[N@@H+]1CC[C@H](CN)C1 ZINC000261529132 135155261 /nfs/dbraw/zinc/15/52/61/135155261.db2.gz PHIVIBVAJKLZLG-SNVBAGLBSA-N 1 3 200.326 0.940 20 0 BCADHO COCC(C)(C)C[N@H+]1CC[C@H](CN)C1 ZINC000261529132 135155262 /nfs/dbraw/zinc/15/52/62/135155262.db2.gz PHIVIBVAJKLZLG-SNVBAGLBSA-N 1 3 200.326 0.940 20 0 BCADHO COCC(C)(C)CN1CC[C@H](C[NH3+])C1 ZINC000261529132 135155263 /nfs/dbraw/zinc/15/52/63/135155263.db2.gz PHIVIBVAJKLZLG-SNVBAGLBSA-N 1 3 200.326 0.940 20 0 BCADHO NC1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000646338521 388272964 /nfs/dbraw/zinc/27/29/64/388272964.db2.gz PFEFKGIFQGSJIB-ZJUUUORDSA-N 1 3 223.320 0.078 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)CCC[NH+](C)C ZINC000492327242 388341615 /nfs/dbraw/zinc/34/16/15/388341615.db2.gz YXDVIESXZVOCSV-VURMDHGXSA-N 1 3 227.352 0.514 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000516563027 388348682 /nfs/dbraw/zinc/34/86/82/388348682.db2.gz ONQDVFAOXDXHPA-NEPJUHHUSA-N 1 3 245.326 0.655 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N1CCCC1 ZINC000646408515 388351852 /nfs/dbraw/zinc/35/18/52/388351852.db2.gz VYGQAFPKEGBWRL-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)N1CCN2CCC1CC2 ZINC000646449876 388360108 /nfs/dbraw/zinc/36/01/08/388360108.db2.gz CLLHVEHTUOUKTP-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CN[C@@H](C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000519607840 256653238 /nfs/dbraw/zinc/65/32/38/256653238.db2.gz HQJUQZFXXRLVNW-VIFPVBQESA-N 1 3 221.304 0.952 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236716324 388382419 /nfs/dbraw/zinc/38/24/19/388382419.db2.gz QCMZNZXZPLOVAQ-UWVGGRQHSA-N 1 3 213.325 0.167 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000236764495 388382942 /nfs/dbraw/zinc/38/29/42/388382942.db2.gz BCENZLDKVQAILS-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572876634 388383319 /nfs/dbraw/zinc/38/33/19/388383319.db2.gz PSEJIWRBSXWLTJ-PWSUYJOCSA-N 1 3 227.352 0.620 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[NH2+]CC ZINC000236796982 388383391 /nfs/dbraw/zinc/38/33/91/388383391.db2.gz JSYKPCLUEAISAE-VIFPVBQESA-N 1 3 201.314 0.230 20 0 BCADHO CC[N@H+](CCNC(=O)CNC)C(C)C ZINC000236858122 388384671 /nfs/dbraw/zinc/38/46/71/388384671.db2.gz ADXLDNHFPWEDQI-UHFFFAOYSA-N 1 3 201.314 0.052 20 0 BCADHO CC[N@@H+](CCNC(=O)CNC)C(C)C ZINC000236858122 388384674 /nfs/dbraw/zinc/38/46/74/388384674.db2.gz ADXLDNHFPWEDQI-UHFFFAOYSA-N 1 3 201.314 0.052 20 0 BCADHO CC[N@H+](CCNC(=O)CNCCOC)C(C)C ZINC000236858366 388385101 /nfs/dbraw/zinc/38/51/01/388385101.db2.gz IHZPPBXVBIBUIZ-UHFFFAOYSA-N 1 3 245.367 0.069 20 0 BCADHO CC[N@@H+](CCNC(=O)CNCCOC)C(C)C ZINC000236858366 388385104 /nfs/dbraw/zinc/38/51/04/388385104.db2.gz IHZPPBXVBIBUIZ-UHFFFAOYSA-N 1 3 245.367 0.069 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646578200 388387488 /nfs/dbraw/zinc/38/74/88/388387488.db2.gz PLRKNFROVOQLRQ-GHMZBOCLSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646578202 388387588 /nfs/dbraw/zinc/38/75/88/388387588.db2.gz PLRKNFROVOQLRQ-QWRGUYRKSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000237574989 388397168 /nfs/dbraw/zinc/39/71/68/388397168.db2.gz JGUPSTHVMZYOAH-NSHDSACASA-N 1 3 241.379 0.819 20 0 BCADHO C[C@@H](NC(=O)CN)C(C)(C)C[NH+](C)C ZINC000237588892 388397265 /nfs/dbraw/zinc/39/72/65/388397265.db2.gz IXLYEIFPFOPSEH-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO N[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730889 388441136 /nfs/dbraw/zinc/44/11/36/388441136.db2.gz IHUBXXVCBLQMSD-JQWIXIFHSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000646730867 388441243 /nfs/dbraw/zinc/44/12/43/388441243.db2.gz GOJBNMSEYZUHFH-MNOVXSKESA-N 1 3 239.363 0.633 20 0 BCADHO N[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730890 388441292 /nfs/dbraw/zinc/44/12/92/388441292.db2.gz IHUBXXVCBLQMSD-PWSUYJOCSA-N 1 3 239.363 0.620 20 0 BCADHO COC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309551809 388456326 /nfs/dbraw/zinc/45/63/26/388456326.db2.gz GELJUDBGEAYUOL-MXWKQRLJSA-N 1 3 226.320 0.479 20 0 BCADHO C[C@H](C[NH2+]C1CCOCC1)CN(C)C ZINC000336686642 388462649 /nfs/dbraw/zinc/46/26/49/388462649.db2.gz LOXOZVQSHXDHML-SNVBAGLBSA-N 1 3 200.326 0.953 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000336710126 388466730 /nfs/dbraw/zinc/46/67/30/388466730.db2.gz SZGLCKPMSBJFPQ-DTWKUNHWSA-N 1 3 201.314 0.069 20 0 BCADHO CC[C@@H](C(=O)NCC[NH2+]C1CC1)N(CC)CC ZINC000649270738 388481887 /nfs/dbraw/zinc/48/18/87/388481887.db2.gz LCMMQEWWBSZZRY-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646672794 388411629 /nfs/dbraw/zinc/41/16/29/388411629.db2.gz ONBSIXMGTUPGRV-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686820 388416263 /nfs/dbraw/zinc/41/62/63/388416263.db2.gz VHYRTFJEJHMNJO-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000646688188 388416842 /nfs/dbraw/zinc/41/68/42/388416842.db2.gz YTROQOKXTQYBCP-GXSJLCMTSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000646688190 388416963 /nfs/dbraw/zinc/41/69/63/388416963.db2.gz YTROQOKXTQYBCP-MWLCHTKSSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](NCCc1nnc(C)[nH]1)[C@@H]1CCC[NH2+]1 ZINC000573082337 388418867 /nfs/dbraw/zinc/41/88/67/388418867.db2.gz RJIHPGKHYZVQEC-QWRGUYRKSA-N 1 3 237.351 0.776 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@H](N)c1ccccc1 ZINC000646697068 388418968 /nfs/dbraw/zinc/41/89/68/388418968.db2.gz UVDGVVURZACQBX-KOLCDFICSA-N 1 3 221.304 0.540 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]C1CC1 ZINC000649270770 388481906 /nfs/dbraw/zinc/48/19/06/388481906.db2.gz SRQVUMRQHJCKAX-PHIMTYICSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)(O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246029419 388436314 /nfs/dbraw/zinc/43/63/14/388436314.db2.gz XQMDIAPYVNXUII-QWRGUYRKSA-N 1 3 212.337 0.974 20 0 BCADHO CC(C)(O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246029419 388436318 /nfs/dbraw/zinc/43/63/18/388436318.db2.gz XQMDIAPYVNXUII-QWRGUYRKSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517139850 388539089 /nfs/dbraw/zinc/53/90/89/388539089.db2.gz KNOGCDBRFPOZQI-DCAQKATOSA-N 1 3 225.336 0.182 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159455 388539383 /nfs/dbraw/zinc/53/93/83/388539383.db2.gz ROBTUSQIKMGOIE-GRYCIOLGSA-N 1 3 212.337 0.689 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159455 388539386 /nfs/dbraw/zinc/53/93/86/388539386.db2.gz ROBTUSQIKMGOIE-GRYCIOLGSA-N 1 3 212.337 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159463 388540125 /nfs/dbraw/zinc/54/01/25/388540125.db2.gz ROBTUSQIKMGOIE-TUAOUCFPSA-N 1 3 212.337 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000517159463 388540129 /nfs/dbraw/zinc/54/01/29/388540129.db2.gz ROBTUSQIKMGOIE-TUAOUCFPSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000261532363 388546310 /nfs/dbraw/zinc/54/63/10/388546310.db2.gz AHLIZCMHGWHKRJ-UTLUCORTSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000261532363 388546312 /nfs/dbraw/zinc/54/63/12/388546312.db2.gz AHLIZCMHGWHKRJ-UTLUCORTSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000261532362 388546549 /nfs/dbraw/zinc/54/65/49/388546549.db2.gz AHLIZCMHGWHKRJ-KXUCPTDWSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000261532362 388546550 /nfs/dbraw/zinc/54/65/50/388546550.db2.gz AHLIZCMHGWHKRJ-KXUCPTDWSA-N 1 3 213.325 0.132 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC(C)C ZINC000034754753 388482441 /nfs/dbraw/zinc/48/24/41/388482441.db2.gz KLHMAELHTCGRPJ-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC(C)C ZINC000034754753 388482443 /nfs/dbraw/zinc/48/24/43/388482443.db2.gz KLHMAELHTCGRPJ-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CO[C@@H]1CCC[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000310506210 388483600 /nfs/dbraw/zinc/48/36/00/388483600.db2.gz JDYTXTDNZPHRSB-YNEHKIRRSA-N 1 3 242.363 0.599 20 0 BCADHO CO[C@@H]1CCC[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000310506210 388483603 /nfs/dbraw/zinc/48/36/03/388483603.db2.gz JDYTXTDNZPHRSB-YNEHKIRRSA-N 1 3 242.363 0.599 20 0 BCADHO CC[C@]1([NH2+]C[C@H](O)CN(C)C(C)C)CCOC1 ZINC000378736176 388490001 /nfs/dbraw/zinc/49/00/01/388490001.db2.gz GGVYBIXAQMQDTM-STQMWFEESA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCC2(N(C)C)CC2)CC[N@@H+]1C ZINC000648932409 388505799 /nfs/dbraw/zinc/50/57/99/388505799.db2.gz SXICNWNZPNLZRR-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCC2(N(C)C)CC2)CC[N@H+]1C ZINC000648932409 388505800 /nfs/dbraw/zinc/50/58/00/388505800.db2.gz SXICNWNZPNLZRR-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO CO[C@H](CN)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000517024495 256811979 /nfs/dbraw/zinc/81/19/79/256811979.db2.gz DDBYFVKOPQPVCY-GFCCVEGCSA-N 1 3 249.314 0.245 20 0 BCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCCO1 ZINC000346608337 388520855 /nfs/dbraw/zinc/52/08/55/388520855.db2.gz PKCKBXKGXMWLQS-RYUDHWBXSA-N 1 3 242.363 0.600 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)CCO)[C@H](C)C1 ZINC000079462382 388534928 /nfs/dbraw/zinc/53/49/28/388534928.db2.gz BPXTWNGHMULXLK-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)CCO)[C@H](C)C1 ZINC000079462382 388534930 /nfs/dbraw/zinc/53/49/30/388534930.db2.gz BPXTWNGHMULXLK-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO CCCCN(C)CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312653 388600887 /nfs/dbraw/zinc/60/08/87/388600887.db2.gz FHOLIKKDFQKPGD-GDNZZTSVSA-N 1 3 239.363 0.300 20 0 BCADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000649316701 388606298 /nfs/dbraw/zinc/60/62/98/388606298.db2.gz JLBYGIZGYFZYIA-LPWJVIDDSA-N 1 3 249.358 0.434 20 0 BCADHO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000649316702 388606561 /nfs/dbraw/zinc/60/65/61/388606561.db2.gz JLBYGIZGYFZYIA-XQHKEYJVSA-N 1 3 249.358 0.434 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000517565099 388552967 /nfs/dbraw/zinc/55/29/67/388552967.db2.gz PYXJDXGRPQUPMQ-CMPLNLGQSA-N 1 3 235.331 0.930 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000358125725 388553005 /nfs/dbraw/zinc/55/30/05/388553005.db2.gz IOAAQHIFLBBEKF-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358125725 388553009 /nfs/dbraw/zinc/55/30/09/388553009.db2.gz IOAAQHIFLBBEKF-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CCO1 ZINC000359322373 388556141 /nfs/dbraw/zinc/55/61/41/388556141.db2.gz MXUZCVLYVGGUDQ-VXGBXAGGSA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1NCC1(C)C ZINC000646823375 388558384 /nfs/dbraw/zinc/55/83/84/388558384.db2.gz ZOJVHKVWTZXQHU-GHMZBOCLSA-N 1 3 241.379 0.816 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000517569938 256828186 /nfs/dbraw/zinc/82/81/86/256828186.db2.gz UANWWOIDDRHIRD-BDAKNGLRSA-N 1 3 249.305 0.603 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)CCOCCO)[C@@H](C)C1 ZINC000245421230 388577308 /nfs/dbraw/zinc/57/73/08/388577308.db2.gz HVIRELVYBCESBY-STQMWFEESA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)CCOCCO)[C@@H](C)C1 ZINC000245421230 388577310 /nfs/dbraw/zinc/57/73/10/388577310.db2.gz HVIRELVYBCESBY-STQMWFEESA-N 1 3 244.379 0.657 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000521999029 388674161 /nfs/dbraw/zinc/67/41/61/388674161.db2.gz VPLCNAXDHKJJTG-GHMZBOCLSA-N 1 3 227.352 0.476 20 0 BCADHO CO[C@H](C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000248413256 388679257 /nfs/dbraw/zinc/67/92/57/388679257.db2.gz FXUPILFFBFSEIT-MNOVXSKESA-N 1 3 200.326 0.905 20 0 BCADHO C(C1CCOCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000078570875 388682833 /nfs/dbraw/zinc/68/28/33/388682833.db2.gz SLASAZMRKWCCLM-RYUDHWBXSA-N 1 3 210.321 0.564 20 0 BCADHO CCOC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000530205209 388626242 /nfs/dbraw/zinc/62/62/42/388626242.db2.gz DQRZVRINRWVGKY-CYBMUJFWSA-N 1 3 242.363 0.723 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219407 388631887 /nfs/dbraw/zinc/63/18/87/388631887.db2.gz LSCRFNDXMZFPOO-GRYCIOLGSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219411 388631962 /nfs/dbraw/zinc/63/19/62/388631962.db2.gz LSCRFNDXMZFPOO-UTUOFQBUSA-N 1 3 223.364 0.811 20 0 BCADHO CN(C[C@H](O)C[NH3+])CC1CC(C)(C)C1 ZINC000530226165 388635783 /nfs/dbraw/zinc/63/57/83/388635783.db2.gz NVFWSGPIMVCXNC-SNVBAGLBSA-N 1 3 200.326 0.674 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000521876363 388638444 /nfs/dbraw/zinc/63/84/44/388638444.db2.gz ZNWHSPDKJKPYFT-VWYCJHECSA-N 1 3 227.352 0.476 20 0 BCADHO CCOCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564212314 388735691 /nfs/dbraw/zinc/73/56/91/388735691.db2.gz RSQGBPBNTWGPKJ-GFCCVEGCSA-N 1 3 242.363 0.710 20 0 BCADHO CC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000253028734 388797625 /nfs/dbraw/zinc/79/76/25/388797625.db2.gz PMLPREZNXTZJHF-GARJFASQSA-N 1 3 200.326 0.864 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1CN(C)C ZINC000252601878 388768258 /nfs/dbraw/zinc/76/82/58/388768258.db2.gz MRPQORNIVUZYEX-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO COC[C@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000250485571 388790257 /nfs/dbraw/zinc/79/02/57/388790257.db2.gz YQEWDFQGNJLOBP-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO COC[C@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000250485571 388790261 /nfs/dbraw/zinc/79/02/61/388790261.db2.gz YQEWDFQGNJLOBP-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO COC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000230136969 388816255 /nfs/dbraw/zinc/81/62/55/388816255.db2.gz BIOFYVRCFHVXEV-GMTAPVOTSA-N 1 3 216.325 0.243 20 0 BCADHO COC[C@H](O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000230136969 388816258 /nfs/dbraw/zinc/81/62/58/388816258.db2.gz BIOFYVRCFHVXEV-GMTAPVOTSA-N 1 3 216.325 0.243 20 0 BCADHO C[C@H]([NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000194843966 388894869 /nfs/dbraw/zinc/89/48/69/388894869.db2.gz APUVODWXZCWDDP-JTQLQIEISA-N 1 3 235.331 0.825 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000564933870 388898114 /nfs/dbraw/zinc/89/81/14/388898114.db2.gz ZBQXCEKXZOHUMR-PWSUYJOCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000564950409 388901089 /nfs/dbraw/zinc/90/10/89/388901089.db2.gz CTYIQZDNOHLRDE-SECBINFHSA-N 1 3 223.320 0.163 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000564955389 388901325 /nfs/dbraw/zinc/90/13/25/388901325.db2.gz YUQUSJFBTRAZQR-OPRDCNLKSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000564994147 388906560 /nfs/dbraw/zinc/90/65/60/388906560.db2.gz NNLHJLDZCQHOGT-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000564994147 388906563 /nfs/dbraw/zinc/90/65/63/388906563.db2.gz NNLHJLDZCQHOGT-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC(C)(C)CCC[NH3+] ZINC000564996099 388907041 /nfs/dbraw/zinc/90/70/41/388907041.db2.gz YKNMFPQCORAXFS-SECBINFHSA-N 1 3 227.352 0.761 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000565717545 388966459 /nfs/dbraw/zinc/96/64/59/388966459.db2.gz MJODGTGKLGXWGO-JQWIXIFHSA-N 1 3 241.379 0.912 20 0 BCADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COCC)C1 ZINC000565416611 388943273 /nfs/dbraw/zinc/94/32/73/388943273.db2.gz FKLPHISZRFHDKZ-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COCC)C1 ZINC000565416611 388943269 /nfs/dbraw/zinc/94/32/69/388943269.db2.gz FKLPHISZRFHDKZ-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COCC)C1 ZINC000565416611 388943271 /nfs/dbraw/zinc/94/32/71/388943271.db2.gz FKLPHISZRFHDKZ-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)[C@H](C)C1 ZINC000262672357 388945672 /nfs/dbraw/zinc/94/56/72/388945672.db2.gz PFISQAIHJLOXSU-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)[C@H](C)C1 ZINC000262672357 388945668 /nfs/dbraw/zinc/94/56/68/388945668.db2.gz PFISQAIHJLOXSU-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H](CO)CC(F)F)C1 ZINC000566020381 388984716 /nfs/dbraw/zinc/98/47/16/388984716.db2.gz NULNLSPMAMYXNB-IWSPIJDZSA-N 1 3 222.279 0.862 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCN1CCO[C@H](C)C1 ZINC000566069134 388985947 /nfs/dbraw/zinc/98/59/47/388985947.db2.gz WRIUHTPNRSHROP-UPJWGTAASA-N 1 3 241.379 0.376 20 0 BCADHO CC[NH2+]CCCN[C@@H]1CCC(=O)NC1(C)C ZINC000566088207 388986183 /nfs/dbraw/zinc/98/61/83/388986183.db2.gz KDESJCSMJPYLKM-SNVBAGLBSA-N 1 3 227.352 0.633 20 0 BCADHO CN1C[C@H]([NH2+][C@H]2CCCCC[C@H]2N)CC1=O ZINC000566091317 388987393 /nfs/dbraw/zinc/98/73/93/388987393.db2.gz XFFYOTIXNJLCIJ-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO CC[NH+]1CCC(NC[C@H](COC)OC)CC1 ZINC000227716074 535474184 /nfs/dbraw/zinc/47/41/84/535474184.db2.gz JTCQZYDMJIALPU-GFCCVEGCSA-N 1 3 230.352 0.722 20 0 BCADHO CNCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000378189343 132290166 /nfs/dbraw/zinc/29/01/66/132290166.db2.gz XDTNBHBGWJLMHF-UHFFFAOYSA-N 1 3 233.315 0.644 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000167521395 134002354 /nfs/dbraw/zinc/00/23/54/134002354.db2.gz UBZGJGYVHUHOCN-QWRGUYRKSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000167521395 134002355 /nfs/dbraw/zinc/00/23/55/134002355.db2.gz UBZGJGYVHUHOCN-QWRGUYRKSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213353 134135631 /nfs/dbraw/zinc/13/56/31/134135631.db2.gz NRHZXORENDBSKJ-ONGXEEELSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000170786929 134254261 /nfs/dbraw/zinc/25/42/61/134254261.db2.gz JMOPRCGYUUJHOU-ZJUUUORDSA-N 1 3 211.309 0.078 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H](C)N(C)C1CC1 ZINC000218868814 134265556 /nfs/dbraw/zinc/26/55/56/134265556.db2.gz KFNLIKCSVREANL-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO CCCN(C)CC(=O)NCCC[NH+](C)C ZINC000172819808 134269905 /nfs/dbraw/zinc/26/99/05/134269905.db2.gz WVZUIVJATRNPQT-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178735935 134311000 /nfs/dbraw/zinc/31/10/00/134311000.db2.gz MUGONMNJIRCCPC-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO COC1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000220889605 134313394 /nfs/dbraw/zinc/31/33/94/134313394.db2.gz BHXHYJPWRNSUMI-MOENNCHZSA-N 1 3 228.336 0.210 20 0 BCADHO COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220947516 134315305 /nfs/dbraw/zinc/31/53/05/134315305.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220947516 134315306 /nfs/dbraw/zinc/31/53/06/134315306.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220947516 134315307 /nfs/dbraw/zinc/31/53/07/134315307.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220947516 134315308 /nfs/dbraw/zinc/31/53/08/134315308.db2.gz ARZUJHBUGDKXMT-YNEHKIRRSA-N 1 3 242.363 0.410 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CCN1C ZINC000178816119 134315456 /nfs/dbraw/zinc/31/54/56/134315456.db2.gz SMDSNDWVJDQHSV-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CN(C)CCOCC[NH2+]C[C@@H]1CCSC1 ZINC000226387714 134365372 /nfs/dbraw/zinc/36/53/72/134365372.db2.gz BWZVDXYVXKFFGE-NSHDSACASA-N 1 3 232.393 0.907 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248665842 135018261 /nfs/dbraw/zinc/01/82/61/135018261.db2.gz WIUINXFEVXUODW-ZDCRXTMVSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248665509 135018505 /nfs/dbraw/zinc/01/85/05/135018505.db2.gz WEXQVIXYAIJQQY-XWLWVQCSSA-N 1 3 239.363 0.556 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251041615 135061884 /nfs/dbraw/zinc/06/18/84/135061884.db2.gz LLMDEEHJTSSGNA-BJDJZHNGSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251041615 135061887 /nfs/dbraw/zinc/06/18/87/135061887.db2.gz LLMDEEHJTSSGNA-BJDJZHNGSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1C ZINC000251739090 135076664 /nfs/dbraw/zinc/07/66/64/135076664.db2.gz CSBZQVLPBFQWOV-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CSCCN1CCOCC[NH3+] ZINC000086435814 135084230 /nfs/dbraw/zinc/08/42/30/135084230.db2.gz XZKUYFJJRZHDJO-SECBINFHSA-N 1 3 204.339 0.399 20 0 BCADHO CCN(CCOCC[NH3+])C[C@H]1CCCO1 ZINC000086435491 135084276 /nfs/dbraw/zinc/08/42/76/135084276.db2.gz FCOQCUVWKDNXKU-LLVKDONJSA-N 1 3 216.325 0.463 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000252210418 135086938 /nfs/dbraw/zinc/08/69/38/135086938.db2.gz XZMRGPZWUMIJBC-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2CN(C)CCO2)CC[N@H+]1C ZINC000252210418 135086939 /nfs/dbraw/zinc/08/69/39/135086939.db2.gz XZMRGPZWUMIJBC-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCC(=O)NC1 ZINC000252447639 135089737 /nfs/dbraw/zinc/08/97/37/135089737.db2.gz NCIBPKFXBZASDC-WISYIIOYSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCC(=O)NC1 ZINC000252447639 135089739 /nfs/dbraw/zinc/08/97/39/135089739.db2.gz NCIBPKFXBZASDC-WISYIIOYSA-N 1 3 239.363 0.583 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000252464840 135090466 /nfs/dbraw/zinc/09/04/66/135090466.db2.gz MWDXAOQTVWLLLE-DDHJBXDOSA-N 1 3 230.352 0.312 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000252464840 135090467 /nfs/dbraw/zinc/09/04/67/135090467.db2.gz MWDXAOQTVWLLLE-DDHJBXDOSA-N 1 3 230.352 0.312 20 0 BCADHO C[NH2+]CCCN1CCN2CCCC[C@@H]2C1 ZINC000086929837 135103369 /nfs/dbraw/zinc/10/33/69/135103369.db2.gz MDFOQUWWQSQKPU-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252848064 135113149 /nfs/dbraw/zinc/11/31/49/135113149.db2.gz GKGTVZTYFKPGBH-SDDRHHMPSA-N 1 3 240.347 0.999 20 0 BCADHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000257651338 135138528 /nfs/dbraw/zinc/13/85/28/135138528.db2.gz DJRZYKLSFVLFRK-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO c1cc(CN2CCC3(CC[NH2+]C3)CC2)n[nH]1 ZINC000257730626 135140667 /nfs/dbraw/zinc/14/06/67/135140667.db2.gz XBSXKKXVGNEWPR-UHFFFAOYSA-N 1 3 220.320 0.985 20 0 BCADHO COC(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000260219623 135147735 /nfs/dbraw/zinc/14/77/35/135147735.db2.gz VZGYLIOQWPEORO-NEPJUHHUSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000260219623 135147737 /nfs/dbraw/zinc/14/77/37/135147737.db2.gz VZGYLIOQWPEORO-NEPJUHHUSA-N 1 3 240.347 0.966 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000261530625 135158037 /nfs/dbraw/zinc/15/80/37/135158037.db2.gz CVNYTZOBEZKMQO-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C(C)(C)N ZINC000261533836 135165983 /nfs/dbraw/zinc/16/59/83/135165983.db2.gz LITBTDHAROVUFW-MRVPVSSYSA-N 1 3 201.314 0.357 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261534175 135167047 /nfs/dbraw/zinc/16/70/47/135167047.db2.gz NYLCQAUHIAQXSK-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000261536771 135172459 /nfs/dbraw/zinc/17/24/59/135172459.db2.gz SWAQBDIGVOVWFR-WPRPVWTQSA-N 1 3 201.314 0.213 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000261538687 135176670 /nfs/dbraw/zinc/17/66/70/135176670.db2.gz YYFOWCHQQAGIFT-BDAKNGLRSA-N 1 3 201.314 0.084 20 0 BCADHO C[C@H]1COCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261545081 135186952 /nfs/dbraw/zinc/18/69/52/135186952.db2.gz JOKKITZUDDUNRA-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC1([NH3+])CCC1 ZINC000261549706 135188399 /nfs/dbraw/zinc/18/83/99/135188399.db2.gz PBRWSMIVJMSTBW-SNVBAGLBSA-N 1 3 213.325 0.502 20 0 BCADHO CC1(C)CN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261551148 135189840 /nfs/dbraw/zinc/18/98/40/135189840.db2.gz QFIANAOPNFPWSO-CMPLNLGQSA-N 1 3 212.337 0.689 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000084221018 135193353 /nfs/dbraw/zinc/19/33/53/135193353.db2.gz ABQALDPPKGBVKO-DMDPSCGWSA-N 1 3 223.364 0.940 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000261554127 135194026 /nfs/dbraw/zinc/19/40/26/135194026.db2.gz TXOYSJKTKQZRAT-KOLCDFICSA-N 1 3 215.341 0.618 20 0 BCADHO C(C1CCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261563834 135206200 /nfs/dbraw/zinc/20/62/00/135206200.db2.gz CBJSZDJKBMFOLC-CYBMUJFWSA-N 1 3 223.364 0.766 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000261568393 135210265 /nfs/dbraw/zinc/21/02/65/135210265.db2.gz FNERRKGJFJQWAM-MRVPVSSYSA-N 1 3 213.325 0.357 20 0 BCADHO CCN(CC)CC(=O)NCC1([NH3+])CCC1 ZINC000261578868 135219975 /nfs/dbraw/zinc/21/99/75/135219975.db2.gz LYEFDGYLJGCNKH-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N(C)C ZINC000261582726 135223063 /nfs/dbraw/zinc/22/30/63/135223063.db2.gz OPAKKGCSCMOANI-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261591122 135232037 /nfs/dbraw/zinc/23/20/37/135232037.db2.gz VBQALCPADZHATO-UJNFCWOMSA-N 1 3 213.325 0.213 20 0 BCADHO COC(=O)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)[C@@H]1C ZINC000261689489 135246009 /nfs/dbraw/zinc/24/60/09/135246009.db2.gz AZRYIHQVPLUKSE-NQBHXWOUSA-N 1 3 240.347 0.869 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261685505 135246079 /nfs/dbraw/zinc/24/60/79/135246079.db2.gz CCGQXSLIMZQNKT-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO COC(=O)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)[C@@H]1C ZINC000261689490 135246098 /nfs/dbraw/zinc/24/60/98/135246098.db2.gz AZRYIHQVPLUKSE-WZRBSPASSA-N 1 3 240.347 0.869 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261685507 135246138 /nfs/dbraw/zinc/24/61/38/135246138.db2.gz CCGQXSLIMZQNKT-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261745021 135249164 /nfs/dbraw/zinc/24/91/64/135249164.db2.gz MCMMPQZFQIMYKK-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000084420040 135249284 /nfs/dbraw/zinc/24/92/84/135249284.db2.gz BNWWBOIWRXMGMH-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO C[NH2+]CCCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000084420144 135251018 /nfs/dbraw/zinc/25/10/18/135251018.db2.gz QHQZWJPWTKVESS-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000261774732 135251256 /nfs/dbraw/zinc/25/12/56/135251256.db2.gz JBNYFUXCLHTDOX-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000261882548 135259700 /nfs/dbraw/zinc/25/97/00/135259700.db2.gz RXUCZJRICWACDQ-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO NC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886850 135259768 /nfs/dbraw/zinc/25/97/68/135259768.db2.gz BJLNRJRLPLFFCC-QWHCGFSZSA-N 1 3 247.342 0.582 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261893712 135260952 /nfs/dbraw/zinc/26/09/52/135260952.db2.gz CLTQBLJWDYORFS-STQMWFEESA-N 1 3 247.342 0.410 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261892303 135261270 /nfs/dbraw/zinc/26/12/70/135261270.db2.gz CLTQBLJWDYORFS-OLZOCXBDSA-N 1 3 247.342 0.410 20 0 BCADHO Cn1nccc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261976531 135268699 /nfs/dbraw/zinc/26/86/99/135268699.db2.gz IVJLEOYEKDFYDO-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000262018219 135272771 /nfs/dbraw/zinc/27/27/71/135272771.db2.gz ACKNLJNAKHNLHF-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000262178074 135283724 /nfs/dbraw/zinc/28/37/24/135283724.db2.gz WFMOUWWEYKYKMI-JHJVBQTASA-N 1 3 223.364 0.622 20 0 BCADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000262178074 135283725 /nfs/dbraw/zinc/28/37/25/135283725.db2.gz WFMOUWWEYKYKMI-JHJVBQTASA-N 1 3 223.364 0.622 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C2C[NH2+]C2)CCN1C ZINC000262266003 135288956 /nfs/dbraw/zinc/28/89/56/135288956.db2.gz SAZXZARKUQTRNP-ONGXEEELSA-N 1 3 225.336 0.147 20 0 BCADHO NC[C@H](C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342584176 135292449 /nfs/dbraw/zinc/29/24/49/135292449.db2.gz HZQBBBZXOHOGIO-LBPRGKRZSA-N 1 3 247.342 0.727 20 0 BCADHO NC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000262447205 135299146 /nfs/dbraw/zinc/29/91/46/135299146.db2.gz PNMAKLHIJFCLJU-NSHDSACASA-N 1 3 239.363 0.764 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C[C@H]1CSCCN1 ZINC000262442018 135299473 /nfs/dbraw/zinc/29/94/73/135299473.db2.gz HVPZHMNNXHELDV-ZJUUUORDSA-N 1 3 245.392 0.196 20 0 BCADHO C[C@H]1C[C@H](NC(=O)NCCN(C)C)CC[N@@H+]1C ZINC000342637661 135299731 /nfs/dbraw/zinc/29/97/31/135299731.db2.gz BQOJZUOKZTZBHW-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H]1C[C@H](NC(=O)NCCN(C)C)CC[N@H+]1C ZINC000342637661 135299733 /nfs/dbraw/zinc/29/97/33/135299733.db2.gz BQOJZUOKZTZBHW-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000262442016 135299802 /nfs/dbraw/zinc/29/98/02/135299802.db2.gz HVPZHMNNXHELDV-NXEZZACHSA-N 1 3 245.392 0.196 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262715798 135315326 /nfs/dbraw/zinc/31/53/26/135315326.db2.gz DMZRHXNASMFXSX-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342732729 135316604 /nfs/dbraw/zinc/31/66/04/135316604.db2.gz LTLHEFNTDAXVAK-ZDUSSCGKSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@H]2CCC[NH2+]2)[C@H]1C ZINC000262828993 135320955 /nfs/dbraw/zinc/32/09/55/135320955.db2.gz URFRQANPOQSWRB-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]CCN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000263260667 135343352 /nfs/dbraw/zinc/34/33/52/135343352.db2.gz SKYWHXNIPDHQEY-PHIMTYICSA-N 1 3 227.352 0.537 20 0 BCADHO NC1(C(=O)N2CCC[C@H](CC[NH3+])C2)CCCC1 ZINC000334382200 135381067 /nfs/dbraw/zinc/38/10/67/135381067.db2.gz KEVRNNDMAMCTIM-LLVKDONJSA-N 1 3 239.363 0.845 20 0 BCADHO CC(C)[C@H](C(=O)N1CCCNCC1)[C@H](C)[NH3+] ZINC000335603409 135417604 /nfs/dbraw/zinc/41/76/04/135417604.db2.gz HSCQFFCCSHMCCU-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C[NH3+])N(CC)CC ZINC000347688474 136005282 /nfs/dbraw/zinc/00/52/82/136005282.db2.gz MTZNAXNRHFCZHX-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)(C)N1CCCN(C(=O)NCC[NH3+])CC1 ZINC000335356577 136061922 /nfs/dbraw/zinc/06/19/22/136061922.db2.gz FFJBRZJYFLJCFB-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CC(C)(N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000335345022 136065794 /nfs/dbraw/zinc/06/57/94/136065794.db2.gz FXLUMYKYBCKADF-BDAKNGLRSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])[C@H](C)CN1 ZINC000335361722 136081342 /nfs/dbraw/zinc/08/13/42/136081342.db2.gz WFRKPLFWBSPZHZ-RKDXNWHRSA-N 1 3 228.340 0.116 20 0 BCADHO NCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375216 136085541 /nfs/dbraw/zinc/08/55/41/136085541.db2.gz MMCYFLBMAGOKIO-JQWIXIFHSA-N 1 3 237.347 0.420 20 0 BCADHO NCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335375216 136085542 /nfs/dbraw/zinc/08/55/42/136085542.db2.gz MMCYFLBMAGOKIO-JQWIXIFHSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000335378018 136086493 /nfs/dbraw/zinc/08/64/93/136086493.db2.gz AHBSKWXDBUOPFH-NXEZZACHSA-N 1 3 211.309 0.064 20 0 BCADHO O=C(NC1CC[NH2+]CC1)C12CCCN1CCC2 ZINC000335379704 136086671 /nfs/dbraw/zinc/08/66/71/136086671.db2.gz JGFJBACQZKCXIK-UHFFFAOYSA-N 1 3 237.347 0.483 20 0 BCADHO N[C@@H](C(=O)N1CCC(C[NH3+])CC1)C1CCC1 ZINC000335402062 136087225 /nfs/dbraw/zinc/08/72/25/136087225.db2.gz YPQFBSBGLCLBCC-LLVKDONJSA-N 1 3 225.336 0.311 20 0 BCADHO CC(C)N1CCCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000335387752 136089577 /nfs/dbraw/zinc/08/95/77/136089577.db2.gz UDBCOEQEVYCTBO-UHFFFAOYSA-N 1 3 240.351 0.084 20 0 BCADHO NC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000335393024 136091544 /nfs/dbraw/zinc/09/15/44/136091544.db2.gz AFPLHDKHBTWCTB-NSHDSACASA-N 1 3 223.320 0.080 20 0 BCADHO CNCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000335396302 136092676 /nfs/dbraw/zinc/09/26/76/136092676.db2.gz OGKLFNNVKZFXBV-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CNCc2ccccc21 ZINC000335399195 136093934 /nfs/dbraw/zinc/09/39/34/136093934.db2.gz MVILJSDUSZDTMH-WCQYABFASA-N 1 3 245.326 0.352 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554047 136098608 /nfs/dbraw/zinc/09/86/08/136098608.db2.gz AGXRNHOPAMAFPI-KOLCDFICSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554049 136098907 /nfs/dbraw/zinc/09/89/07/136098907.db2.gz AGXRNHOPAMAFPI-ONGXEEELSA-N 1 3 237.347 0.195 20 0 BCADHO CC1(C)CN(C(=O)CC[C@H]2CC[NH2+]C2)CCN1 ZINC000335598492 136114064 /nfs/dbraw/zinc/11/40/64/136114064.db2.gz KKYPICKXXSIXKV-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CN[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000054071535 322855360 /nfs/dbraw/zinc/85/53/60/322855360.db2.gz PESRFYSVNCNYRR-VIFPVBQESA-N 1 3 215.341 0.298 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000248858937 397766710 /nfs/dbraw/zinc/76/67/10/397766710.db2.gz LTWUUIMXVBYMTB-DCAQKATOSA-N 1 3 239.363 0.855 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000390006194 397875685 /nfs/dbraw/zinc/87/56/85/397875685.db2.gz WUBGLXCEDPOEAA-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CO[C@@H](C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000182171628 397824862 /nfs/dbraw/zinc/82/48/62/397824862.db2.gz FXUPILFFBFSEIT-WDEREUQCSA-N 1 3 200.326 0.905 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000446361216 397947482 /nfs/dbraw/zinc/94/74/82/397947482.db2.gz YZKCFKPIIMPVKR-HOSYDEDBSA-N 1 3 237.347 0.195 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(CC)CC1 ZINC000449075185 397951520 /nfs/dbraw/zinc/95/15/20/397951520.db2.gz MGKKEWVEPLQHOO-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000449554863 397955203 /nfs/dbraw/zinc/95/52/03/397955203.db2.gz FESRBPPVIPNJQG-JFGNBEQYSA-N 1 3 239.363 0.713 20 0 BCADHO CCN(C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000054133011 397903693 /nfs/dbraw/zinc/90/36/93/397903693.db2.gz KGFPVLAGTWVNDY-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530979 397922710 /nfs/dbraw/zinc/92/27/10/397922710.db2.gz RXIVFAUMJUTZCI-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530979 397922715 /nfs/dbraw/zinc/92/27/15/397922715.db2.gz RXIVFAUMJUTZCI-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CN1C[C@@H]2CC[N@H+](C[C@H]3CCCN3C)[C@@H]2C1 ZINC000649616238 397997938 /nfs/dbraw/zinc/99/79/38/397997938.db2.gz GUJARTOPKBMCGI-YNEHKIRRSA-N 1 3 223.364 0.717 20 0 BCADHO CN1C[C@@H]2CC[N@@H+](C[C@H]3CCCN3C)[C@@H]2C1 ZINC000649616238 397997939 /nfs/dbraw/zinc/99/79/39/397997939.db2.gz GUJARTOPKBMCGI-YNEHKIRRSA-N 1 3 223.364 0.717 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000383194889 398010313 /nfs/dbraw/zinc/01/03/13/398010313.db2.gz VFRGEBJZMQYDSL-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000383194889 398010315 /nfs/dbraw/zinc/01/03/15/398010315.db2.gz VFRGEBJZMQYDSL-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO COC[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414705225 398021188 /nfs/dbraw/zinc/02/11/88/398021188.db2.gz NSCOJXBHMGSBRK-UPJWGTAASA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@@H]1CN(C[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000414705219 398021868 /nfs/dbraw/zinc/02/18/68/398021868.db2.gz NSCOJXBHMGSBRK-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000389148927 398037970 /nfs/dbraw/zinc/03/79/70/398037970.db2.gz IXNFCBDTORKHLA-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO COC[C@@H](C)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313341739 398043525 /nfs/dbraw/zinc/04/35/25/398043525.db2.gz FXPPIFGYPVPKKG-NXEZZACHSA-N 1 3 202.298 0.071 20 0 BCADHO COC[C@@H](C)[N@H+]1CCCO[C@H](CN)C1 ZINC000313341739 398043529 /nfs/dbraw/zinc/04/35/29/398043529.db2.gz FXPPIFGYPVPKKG-NXEZZACHSA-N 1 3 202.298 0.071 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638048388 398066528 /nfs/dbraw/zinc/06/65/28/398066528.db2.gz OETKGIRHAMEJMW-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](CNC(=O)/C=C\CN(C)C)[N@H+](C)C1CC1 ZINC000491853795 398075358 /nfs/dbraw/zinc/07/53/58/398075358.db2.gz WFCOYQRRELYSLP-ISALQUGTSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@H](CNC(=O)/C=C\CN(C)C)[N@@H+](C)C1CC1 ZINC000491853795 398075360 /nfs/dbraw/zinc/07/53/60/398075360.db2.gz WFCOYQRRELYSLP-ISALQUGTSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@H](CNC(=O)/C=C/CN(C)C)[N@H+](C)C1CC1 ZINC000491853796 398075566 /nfs/dbraw/zinc/07/55/66/398075566.db2.gz WFCOYQRRELYSLP-MVIFTORASA-N 1 3 239.363 0.703 20 0 BCADHO C[C@H](CNC(=O)/C=C/CN(C)C)[N@@H+](C)C1CC1 ZINC000491853796 398075569 /nfs/dbraw/zinc/07/55/69/398075569.db2.gz WFCOYQRRELYSLP-MVIFTORASA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)CC[N@@H+]1C ZINC000491904978 398077014 /nfs/dbraw/zinc/07/70/14/398077014.db2.gz NAZOTLITDZQCFA-IEVRTODYSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)/C=C/CN(C)C)CC[N@H+]1C ZINC000491904978 398077016 /nfs/dbraw/zinc/07/70/16/398077016.db2.gz NAZOTLITDZQCFA-IEVRTODYSA-N 1 3 239.363 0.703 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@@H]1CCOC1 ZINC000309202943 398114052 /nfs/dbraw/zinc/11/40/52/398114052.db2.gz BUMVYGQBNQLWKE-RYUDHWBXSA-N 1 3 230.352 0.267 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@@H]1CCOC1 ZINC000309202943 398114053 /nfs/dbraw/zinc/11/40/53/398114053.db2.gz BUMVYGQBNQLWKE-RYUDHWBXSA-N 1 3 230.352 0.267 20 0 BCADHO CN(CCOCC[NH3+])CCOC(C)(C)C ZINC000301050375 487572129 /nfs/dbraw/zinc/57/21/29/487572129.db2.gz SHUNAGQJRASCDD-UHFFFAOYSA-N 1 3 218.341 0.709 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N(C)CCC[NH3+] ZINC000308919817 487581852 /nfs/dbraw/zinc/58/18/52/487581852.db2.gz BXERFGQBFLBWAR-SECBINFHSA-N 1 3 201.314 0.167 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000308919818 487582234 /nfs/dbraw/zinc/58/22/34/487582234.db2.gz BXERFGQBFLBWAR-VIFPVBQESA-N 1 3 201.314 0.167 20 0 BCADHO OCCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000238645264 487588366 /nfs/dbraw/zinc/58/83/66/487588366.db2.gz YYGURBNQYBEZFC-LBPRGKRZSA-N 1 3 212.337 0.690 20 0 BCADHO CC(C)OC[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336735640 167265579 /nfs/dbraw/zinc/26/55/79/167265579.db2.gz IGIUQLLYBXJURL-NWDGAFQWSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)OC[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336735640 167265580 /nfs/dbraw/zinc/26/55/80/167265580.db2.gz IGIUQLLYBXJURL-NWDGAFQWSA-N 1 3 230.352 0.456 20 0 BCADHO OCC[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000238673281 487592219 /nfs/dbraw/zinc/59/22/19/487592219.db2.gz HDKJLGAUJWLBNT-VXGBXAGGSA-N 1 3 212.337 0.833 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CC[C@H]1[NH3+] ZINC000662243798 409531246 /nfs/dbraw/zinc/53/12/46/409531246.db2.gz KGKNFTAOHXSOAC-IJLUTSLNSA-N 1 3 239.363 0.177 20 0 BCADHO CCCN(C[C@@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000662244096 409534963 /nfs/dbraw/zinc/53/49/63/409534963.db2.gz BQGPSPBLSZFVLQ-NEPJUHHUSA-N 1 3 227.352 0.049 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000662245482 409537368 /nfs/dbraw/zinc/53/73/68/409537368.db2.gz KAWPNKWWBPEJRK-ZYHUDNBSSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1CC[C@H](N2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000662246059 409539532 /nfs/dbraw/zinc/53/95/32/409539532.db2.gz NMOZIZQXYZCDHQ-JQWIXIFHSA-N 1 3 239.363 0.666 20 0 BCADHO OCC1([NH2+]C[C@H]2CCC3(CNC3)O2)CCCC1 ZINC000662287104 409621748 /nfs/dbraw/zinc/62/17/48/409621748.db2.gz WAJXDQBDKSCSFI-LLVKDONJSA-N 1 3 240.347 0.402 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000662315972 409636906 /nfs/dbraw/zinc/63/69/06/409636906.db2.gz RWBDBSOIBRBVGO-UTUOFQBUSA-N 1 3 222.332 0.849 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000662315972 409636911 /nfs/dbraw/zinc/63/69/11/409636911.db2.gz RWBDBSOIBRBVGO-UTUOFQBUSA-N 1 3 222.332 0.849 20 0 BCADHO CO[C@H](C[N@H+](C)C[C@@H](O)CN)C1CCCC1 ZINC000662277212 409589478 /nfs/dbraw/zinc/58/94/78/409589478.db2.gz NHELYNMRTXRVDH-NWDGAFQWSA-N 1 3 230.352 0.443 20 0 BCADHO CO[C@H](C[N@@H+](C)C[C@@H](O)CN)C1CCCC1 ZINC000662277212 409589486 /nfs/dbraw/zinc/58/94/86/409589486.db2.gz NHELYNMRTXRVDH-NWDGAFQWSA-N 1 3 230.352 0.443 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662338635 409651173 /nfs/dbraw/zinc/65/11/73/409651173.db2.gz NJFPMPOWAYQQTF-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCCN(C)C(=O)c1cccc2c1CNC2 ZINC000662576311 409765321 /nfs/dbraw/zinc/76/53/21/409765321.db2.gz KRWOAFNVMJAFLF-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247196 409718211 /nfs/dbraw/zinc/71/82/11/409718211.db2.gz WCXSSAMOZVPGRH-TXEJJXNPSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C)CN1 ZINC000653128577 409841394 /nfs/dbraw/zinc/84/13/94/409841394.db2.gz LWJXDLNDDQGEQU-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CCNC(=O)[C@@H](N)CC(F)F)[NH+](C)C ZINC000662635455 409806747 /nfs/dbraw/zinc/80/67/47/409806747.db2.gz WEZXWHJSTYOBBC-YUMQZZPRSA-N 1 3 237.294 0.425 20 0 BCADHO C[NH+](C)CCNC(=O)c1cc(C(C)(C)N)no1 ZINC000662781353 409908039 /nfs/dbraw/zinc/90/80/39/409908039.db2.gz USJJLYLTUHLLSS-UHFFFAOYSA-N 1 3 240.307 0.160 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662834190 409943548 /nfs/dbraw/zinc/94/35/48/409943548.db2.gz FOBMYXJRFKQLLM-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)([NH3+])C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662839720 409948074 /nfs/dbraw/zinc/94/80/74/409948074.db2.gz UCGWOIOALRTGJO-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)([NH3+])C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662839717 409948868 /nfs/dbraw/zinc/94/88/68/409948868.db2.gz UCGWOIOALRTGJO-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000662968448 409998382 /nfs/dbraw/zinc/99/83/82/409998382.db2.gz HWQQVSQMNLFYIU-GWCFXTLKSA-N 1 3 247.342 0.598 20 0 BCADHO C[NH2+]Cc1ccccc1CNC(=O)[C@H](C)N ZINC000653210741 410165507 /nfs/dbraw/zinc/16/55/07/410165507.db2.gz GRKOYYPQLRWHSU-VIFPVBQESA-N 1 3 221.304 0.369 20 0 BCADHO N[C@H](C(=O)NCCC1(C[NH3+])CC1)C1CCC1 ZINC000653222643 410171243 /nfs/dbraw/zinc/17/12/43/410171243.db2.gz JYFKKGSJNUGUSW-JTQLQIEISA-N 1 3 225.336 0.359 20 0 BCADHO N[C@@H](C(=O)NCCC1(C[NH3+])CC1)C1CCC1 ZINC000653222644 410171356 /nfs/dbraw/zinc/17/13/56/410171356.db2.gz JYFKKGSJNUGUSW-SNVBAGLBSA-N 1 3 225.336 0.359 20 0 BCADHO C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225898 410173570 /nfs/dbraw/zinc/17/35/70/410173570.db2.gz JQDYLMQLZBIYRR-ZETCQYMHSA-N 1 3 225.267 0.248 20 0 BCADHO C[C@H]1CCCN(C(=O)CNC2CC2)[C@@H]1CC[NH3+] ZINC000653239806 410182102 /nfs/dbraw/zinc/18/21/02/410182102.db2.gz FQEFGTVOLYQRKT-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000044538953 410199485 /nfs/dbraw/zinc/19/94/85/410199485.db2.gz BAZFUDSHGWZUKR-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653257339 410239547 /nfs/dbraw/zinc/23/95/47/410239547.db2.gz MURFFHBFZFZZQF-JTQLQIEISA-N 1 3 213.325 0.311 20 0 BCADHO C[C@H](C[NH3+])NCc1nc2c(s1)CNCC2 ZINC000663495997 410274750 /nfs/dbraw/zinc/27/47/50/410274750.db2.gz BVSQSZMIBTVHGI-SSDOTTSWSA-N 1 3 226.349 0.226 20 0 BCADHO [NH3+]CCCN1CCC(Cn2cnnc2)CC1 ZINC000650710372 410339371 /nfs/dbraw/zinc/33/93/71/410339371.db2.gz NZVUKDNEMHKUOJ-UHFFFAOYSA-N 1 3 223.324 0.339 20 0 BCADHO CCO[C@@H]1CN(CC(C)(C)COC)C[C@H]1C[NH3+] ZINC000650714581 410346640 /nfs/dbraw/zinc/34/66/40/410346640.db2.gz PFUDZQFPBXCZGQ-VXGBXAGGSA-N 1 3 244.379 0.955 20 0 BCADHO Cn1c(=O)ccc2c1CCC[C@H]2NCCC[NH3+] ZINC000650725027 410360928 /nfs/dbraw/zinc/36/09/28/410360928.db2.gz RTHQRGMIFSVMPS-LLVKDONJSA-N 1 3 235.331 0.701 20 0 BCADHO C[C@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742909 410377261 /nfs/dbraw/zinc/37/72/61/410377261.db2.gz HVHGGWZCTSUZIM-MMWGEVLESA-N 1 3 225.336 0.228 20 0 BCADHO C[C@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742910 410377492 /nfs/dbraw/zinc/37/74/92/410377492.db2.gz HVHGGWZCTSUZIM-UKKRHICBSA-N 1 3 225.336 0.228 20 0 BCADHO NC(=O)[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000650743429 410380943 /nfs/dbraw/zinc/38/09/43/410380943.db2.gz SXRQZRJIHGQBST-JTDNOXRMSA-N 1 3 223.320 0.123 20 0 BCADHO C[NH2+]Cc1ccccc1CN[C@H](C)CC(N)=O ZINC000650760292 410407526 /nfs/dbraw/zinc/40/75/26/410407526.db2.gz ZZAPFFZZQSYNNO-SNVBAGLBSA-N 1 3 235.331 0.760 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000655457582 410518902 /nfs/dbraw/zinc/51/89/02/410518902.db2.gz ULYWPCPOHYAIPW-VHSXEESVSA-N 1 3 213.325 0.051 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N(C)CCN1CCCCC1 ZINC000653274790 410554369 /nfs/dbraw/zinc/55/43/69/410554369.db2.gz OLHNJFPBAMQITM-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO C[NH2+]CCCC(=O)N(C)CCN1CCCCC1 ZINC000653274384 410554449 /nfs/dbraw/zinc/55/44/49/410554449.db2.gz FBVPBLUZWIVCTD-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)CCN1CCCCC1 ZINC000653274912 410554483 /nfs/dbraw/zinc/55/44/83/410554483.db2.gz RVIZMCAFHQEZCU-NSHDSACASA-N 1 3 227.352 0.526 20 0 BCADHO CCN(CC)CC(=O)N1CCC([NH3+])CC1 ZINC000236837418 169763386 /nfs/dbraw/zinc/76/33/86/169763386.db2.gz GHDNIADIYYBAQT-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000655481933 410733626 /nfs/dbraw/zinc/73/36/26/410733626.db2.gz PUKZGEVQONYQOL-UWVGGRQHSA-N 1 3 225.336 0.385 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000655481935 410734205 /nfs/dbraw/zinc/73/42/05/410734205.db2.gz PUKZGEVQONYQOL-VHSXEESVSA-N 1 3 225.336 0.385 20 0 BCADHO CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000665273897 410743198 /nfs/dbraw/zinc/74/31/98/410743198.db2.gz GKBULXNFVUWTKJ-QJPTWQEYSA-N 1 3 211.353 0.940 20 0 BCADHO COCC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000309304955 410792273 /nfs/dbraw/zinc/79/22/73/410792273.db2.gz VHEPZTIGUXEJHH-TXEJJXNPSA-N 1 3 224.348 0.954 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2NCC2(C)C)C1 ZINC000655489202 410794620 /nfs/dbraw/zinc/79/46/20/410794620.db2.gz NCCDVPGLXLOXAH-AXFHLTTASA-N 1 3 239.363 0.441 20 0 BCADHO C[C@H](NC(=O)C(C)(C)N)C1CC[NH+](C)CC1 ZINC000396441483 410882646 /nfs/dbraw/zinc/88/26/46/410882646.db2.gz UWTDGWFKDWLKCI-VIFPVBQESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](NC(=O)C1(N)CC1)C1CC[NH+](C)CC1 ZINC000396431366 410882957 /nfs/dbraw/zinc/88/29/57/410882957.db2.gz GNFJFHOUGYVWSZ-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCCCCC1 ZINC000040768308 410888483 /nfs/dbraw/zinc/88/84/83/410888483.db2.gz NNRUKYOMJHFJLS-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CCC(C)(C)N1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000655495100 410892227 /nfs/dbraw/zinc/89/22/27/410892227.db2.gz TUKSKSUWOAEZSL-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CC[C@@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396741191 410895545 /nfs/dbraw/zinc/89/55/45/410895545.db2.gz QJRXPOUXGTZISJ-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC[NH+](CC)CCNC(=O)C1(N)CCCC1 ZINC000037479369 169778421 /nfs/dbraw/zinc/77/84/21/169778421.db2.gz UXSHFLNUBQYVJV-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)N1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332713386 167034112 /nfs/dbraw/zinc/03/41/12/167034112.db2.gz PISCDLQKLWIPOR-TUAOUCFPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCCNCC1 ZINC000037480196 167100533 /nfs/dbraw/zinc/10/05/33/167100533.db2.gz UOHPZYFXDCBKRD-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[NH2+]CCN1CCCN([C@H](C)CO)CC1 ZINC000377068679 167104797 /nfs/dbraw/zinc/10/47/97/167104797.db2.gz SQNALXKKAHSATA-CYBMUJFWSA-N 1 3 243.395 0.373 20 0 BCADHO CC(C)OC[C@@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336735639 167254125 /nfs/dbraw/zinc/25/41/25/167254125.db2.gz IGIUQLLYBXJURL-NEPJUHHUSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)OC[C@@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336735639 167254127 /nfs/dbraw/zinc/25/41/27/167254127.db2.gz IGIUQLLYBXJURL-NEPJUHHUSA-N 1 3 230.352 0.456 20 0 BCADHO CCC(C)(C)N1CCN(C(=O)CC[NH3+])CC1 ZINC000655495413 410913083 /nfs/dbraw/zinc/91/30/83/410913083.db2.gz XVEMFBLFNUXQSM-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000137433578 167342755 /nfs/dbraw/zinc/34/27/55/167342755.db2.gz QZKWBWZCAAFRNR-MNOVXSKESA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH3+])N(C)C ZINC000236711114 167343574 /nfs/dbraw/zinc/34/35/74/167343574.db2.gz LKLIFBYWLBFRAT-UWVGGRQHSA-N 1 3 215.341 0.284 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044808500 167397623 /nfs/dbraw/zinc/39/76/23/167397623.db2.gz NNTYKIKJIUBFHF-ZYHUDNBSSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@@H](CN[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000341899344 167399322 /nfs/dbraw/zinc/39/93/22/167399322.db2.gz OFDFJQDNFWHGJJ-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C1(N)CCCC1 ZINC000309305467 410922522 /nfs/dbraw/zinc/92/25/22/410922522.db2.gz VLTUVZYUUYRCQC-VIFPVBQESA-N 1 3 213.325 0.357 20 0 BCADHO CCN(CCC1CC[NH2+]CC1)CC(=O)N(C)C ZINC000042516086 411012827 /nfs/dbraw/zinc/01/28/27/411012827.db2.gz IWOVFJUEPKUARV-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@H](N)C1CCC1 ZINC000399000825 411008466 /nfs/dbraw/zinc/00/84/66/411008466.db2.gz CKRGILSSQVXQSF-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309397138 411163053 /nfs/dbraw/zinc/16/30/53/411163053.db2.gz GSDSQRMFABLDNI-GXSJLCMTSA-N 1 3 213.325 0.311 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309397141 411163223 /nfs/dbraw/zinc/16/32/23/411163223.db2.gz GSDSQRMFABLDNI-MWLCHTKSSA-N 1 3 213.325 0.311 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000044538840 411137176 /nfs/dbraw/zinc/13/71/76/411137176.db2.gz SOMOVYFBDOJDTF-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000044538840 411137177 /nfs/dbraw/zinc/13/71/77/411137177.db2.gz SOMOVYFBDOJDTF-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](C(=O)NC(C)(C)C)N1CCC(C[NH3+])CC1 ZINC000044514364 411137216 /nfs/dbraw/zinc/13/72/16/411137216.db2.gz UHSGCBKDTGYWKT-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526663 411137307 /nfs/dbraw/zinc/13/73/07/411137307.db2.gz RWRGMKSWJLFNBE-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO Cn1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000400935002 411163428 /nfs/dbraw/zinc/16/34/28/411163428.db2.gz KHIAOYCMXHXFPS-GARJFASQSA-N 1 3 235.335 0.293 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726825 411140135 /nfs/dbraw/zinc/14/01/35/411140135.db2.gz IEFITJFYOJKWMI-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO COC[C@H](CC(C)(C)C)NC[C@@H](O)C[NH+](C)C ZINC000652151698 411161834 /nfs/dbraw/zinc/16/18/34/411161834.db2.gz ZYGHGHDYPXBAQC-NWDGAFQWSA-N 1 3 246.395 0.950 20 0 BCADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nncn1C ZINC000401050629 411174705 /nfs/dbraw/zinc/17/47/05/411174705.db2.gz XYTVYQBKUCCGNF-FIQHERPVSA-N 1 3 249.362 0.854 20 0 BCADHO CN(C)CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652239815 411178344 /nfs/dbraw/zinc/17/83/44/411178344.db2.gz FPQASPALESAJGP-UHFFFAOYSA-N 1 3 242.367 0.318 20 0 BCADHO CN(CCNC(=O)CC1CC[NH2+]CC1)C1CC1 ZINC000062010150 411186399 /nfs/dbraw/zinc/18/63/99/411186399.db2.gz IWKQUMOIQJJVSG-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656193871 411199352 /nfs/dbraw/zinc/19/93/52/411199352.db2.gz WMHVJIPJCXHERE-FRRDWIJNSA-N 1 3 241.379 0.111 20 0 BCADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CN(C)CCO1 ZINC000656198169 411203530 /nfs/dbraw/zinc/20/35/30/411203530.db2.gz IXDZWDLTPPHPOE-RVMXOQNASA-N 1 3 241.379 0.565 20 0 BCADHO CCN(C[C@@H]1CCOC1)C[C@](C)(O)C[NH2+]C ZINC000652337105 411203634 /nfs/dbraw/zinc/20/36/34/411203634.db2.gz KAPQFBITQONNRJ-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)n1 ZINC000656200446 411205328 /nfs/dbraw/zinc/20/53/28/411205328.db2.gz QDCQNKOPAUELLE-GHMZBOCLSA-N 1 3 237.351 0.607 20 0 BCADHO Cn1cnc(CCCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656200446 411205330 /nfs/dbraw/zinc/20/53/30/411205330.db2.gz QDCQNKOPAUELLE-GHMZBOCLSA-N 1 3 237.351 0.607 20 0 BCADHO C[C@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658029135 411205641 /nfs/dbraw/zinc/20/56/41/411205641.db2.gz GOZNTCUDPHZNFG-ODWCKFRGSA-N 1 3 249.362 0.881 20 0 BCADHO C[C@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029135 411205643 /nfs/dbraw/zinc/20/56/43/411205643.db2.gz GOZNTCUDPHZNFG-ODWCKFRGSA-N 1 3 249.362 0.881 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000659295455 411225533 /nfs/dbraw/zinc/22/55/33/411225533.db2.gz SEAKIFXZRRYEFA-LBPRGKRZSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)N(C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422884535 411233451 /nfs/dbraw/zinc/23/34/51/411233451.db2.gz XFYCVSAMCSYKIH-NWDGAFQWSA-N 1 3 213.369 0.914 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659612356 411236231 /nfs/dbraw/zinc/23/62/31/411236231.db2.gz WDLJTHMKBDDHCT-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(CO)OC)[C@H](C)C1 ZINC000655787464 411236310 /nfs/dbraw/zinc/23/63/10/411236310.db2.gz WEKLEHODSRCPKP-AGIUHOORSA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@](C)(CO)OC)[C@H](C)C1 ZINC000655787464 411236314 /nfs/dbraw/zinc/23/63/14/411236314.db2.gz WEKLEHODSRCPKP-AGIUHOORSA-N 1 3 244.379 0.704 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH3+])N(C)C ZINC000309538322 411166378 /nfs/dbraw/zinc/16/63/78/411166378.db2.gz FXKXQACYTIEBEZ-IUCAKERBSA-N 1 3 201.314 0.036 20 0 BCADHO CC(C)[C@H](N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457408 411266814 /nfs/dbraw/zinc/26/68/14/411266814.db2.gz WFWZLFLOLPQSNZ-NSHDSACASA-N 1 3 223.324 0.858 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)C(C)(C)N ZINC000652559423 411271920 /nfs/dbraw/zinc/27/19/20/411271920.db2.gz PTIJFXKZPQKCLC-UHFFFAOYSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)N ZINC000652559423 411271925 /nfs/dbraw/zinc/27/19/25/411271925.db2.gz PTIJFXKZPQKCLC-UHFFFAOYSA-N 1 3 229.368 0.818 20 0 BCADHO CCC[C@@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467843 411279450 /nfs/dbraw/zinc/27/94/50/411279450.db2.gz GGSIBJINVPOCKX-DTWKUNHWSA-N 1 3 209.297 0.612 20 0 BCADHO CCC[C@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467841 411279697 /nfs/dbraw/zinc/27/96/97/411279697.db2.gz GGSIBJINVPOCKX-BDAKNGLRSA-N 1 3 209.297 0.612 20 0 BCADHO CCNC(=O)CN(C)CC[C@H]1CCC[NH2+]C1 ZINC000051919224 411286350 /nfs/dbraw/zinc/28/63/50/411286350.db2.gz TYFPHOWUZKUHRB-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000659643588 411293731 /nfs/dbraw/zinc/29/37/31/411293731.db2.gz SKWOYHDSASBITI-SECBINFHSA-N 1 3 230.356 0.234 20 0 BCADHO CC(C)NCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000659302336 411294265 /nfs/dbraw/zinc/29/42/65/411294265.db2.gz ICSISVMCUKCSLY-SRVKXCTJSA-N 1 3 239.363 0.570 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259669 411318053 /nfs/dbraw/zinc/31/80/53/411318053.db2.gz NGGNMRYGWZBUBD-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259669 411318056 /nfs/dbraw/zinc/31/80/56/411318056.db2.gz NGGNMRYGWZBUBD-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000062071235 411325951 /nfs/dbraw/zinc/32/59/51/411325951.db2.gz QNLCOZZPVGXVTB-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071235 411325955 /nfs/dbraw/zinc/32/59/55/411325955.db2.gz QNLCOZZPVGXVTB-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CC[N@@H+]1CC[C@@H](N[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000658349563 411351526 /nfs/dbraw/zinc/35/15/26/411351526.db2.gz KIDIEYJJHBGPEF-DDHJBXDOSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@@H](N[C@H]2C[C@H](O)C2)[C@H](C)C1 ZINC000658349563 411351529 /nfs/dbraw/zinc/35/15/29/411351529.db2.gz KIDIEYJJHBGPEF-DDHJBXDOSA-N 1 3 212.337 0.830 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973218 411334764 /nfs/dbraw/zinc/33/47/64/411334764.db2.gz HTUATTLSXXEGFO-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CNC[C@@]1(C)CC1(F)F ZINC000656710568 411335757 /nfs/dbraw/zinc/33/57/57/411335757.db2.gz KAFOOKPBFRNRKS-VHSXEESVSA-N 1 3 236.306 0.934 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CNC[C@@]1(C)CC1(F)F ZINC000656710568 411335762 /nfs/dbraw/zinc/33/57/62/411335762.db2.gz KAFOOKPBFRNRKS-VHSXEESVSA-N 1 3 236.306 0.934 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCCN(C)C1 ZINC000069839785 411371997 /nfs/dbraw/zinc/37/19/97/411371997.db2.gz AILKYRUDLVTWTG-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C ZINC000130492872 411343224 /nfs/dbraw/zinc/34/32/24/411343224.db2.gz LRLSJUZKEPWLJN-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CC1CC[NH+](CCCCNC(=O)CN)CC1 ZINC000236625981 168178733 /nfs/dbraw/zinc/17/87/33/168178733.db2.gz CSZJKKHVXHUHPP-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO CC1CC[NH+](CCCNC(=O)C(C)(C)N)CC1 ZINC000040925292 168179892 /nfs/dbraw/zinc/17/98/92/168179892.db2.gz GMONQIUVJSHTSJ-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CCC(C)CC1 ZINC000070317351 168181281 /nfs/dbraw/zinc/18/12/81/168181281.db2.gz OLISDKZMAYFVJK-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CC1CCN(CCNC(=O)C2([NH3+])CCC2)CC1 ZINC000148078638 168181819 /nfs/dbraw/zinc/18/18/19/168181819.db2.gz LYDJDDXROHKMGE-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[NH+]1CCC(C)CC1 ZINC000236716022 168186391 /nfs/dbraw/zinc/18/63/91/168186391.db2.gz IWGYSBIELJMHBT-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1CC[NH2+]C1 ZINC000659302001 411390634 /nfs/dbraw/zinc/39/06/34/411390634.db2.gz BDFYXSCIKLFZSM-WCQYABFASA-N 1 3 245.326 0.699 20 0 BCADHO C[C@@H]1CCN(C(=O)CNC2CC2)[C@H](C[NH3+])C1 ZINC000659378665 411392810 /nfs/dbraw/zinc/39/28/10/411392810.db2.gz SSUOIGRLTPTOHE-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CCCN(CCn2cncn2)[C@@H]1CC[NH3+] ZINC000404413792 411394671 /nfs/dbraw/zinc/39/46/71/411394671.db2.gz ZPKQQIRBGZZKIB-NWDGAFQWSA-N 1 3 237.351 0.727 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653053833 411406418 /nfs/dbraw/zinc/40/64/18/411406418.db2.gz MXKHEXRYSTZGJA-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO N[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)CC[C@H]1F ZINC000659388653 411410299 /nfs/dbraw/zinc/41/02/99/411410299.db2.gz MDEGPSCWMSASRZ-NXEZZACHSA-N 1 3 243.326 0.546 20 0 BCADHO CCN1CCC(NC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659428102 411413698 /nfs/dbraw/zinc/41/36/98/411413698.db2.gz WZVJGSYMBIIIHF-SNVBAGLBSA-N 1 3 242.367 0.378 20 0 BCADHO CCN(CCNC(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000659448151 411416434 /nfs/dbraw/zinc/41/64/34/411416434.db2.gz MIZZWNAYIPBSAQ-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000659456777 411417269 /nfs/dbraw/zinc/41/72/69/411417269.db2.gz SFSIYPAFPMCLNH-UWVGGRQHSA-N 1 3 240.351 0.130 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000659456779 411417369 /nfs/dbraw/zinc/41/73/69/411417369.db2.gz SFSIYPAFPMCLNH-ZJUUUORDSA-N 1 3 240.351 0.130 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659529899 411430433 /nfs/dbraw/zinc/43/04/33/411430433.db2.gz MRCLHBCWNMKUJX-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000126353909 411431754 /nfs/dbraw/zinc/43/17/54/411431754.db2.gz HFSXAIFPNUDEKD-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO CCO[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000405513485 411432878 /nfs/dbraw/zinc/43/28/78/411432878.db2.gz GNUCMPZQOUIYHK-JHJVBQTASA-N 1 3 242.363 0.851 20 0 BCADHO CCCN1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659611148 411441417 /nfs/dbraw/zinc/44/14/17/411441417.db2.gz PTOWBAKJDYTUGX-MNOVXSKESA-N 1 3 240.351 0.213 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405827619 411441936 /nfs/dbraw/zinc/44/19/36/411441936.db2.gz YMHVFJLAIZRFGQ-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000126670477 411452162 /nfs/dbraw/zinc/45/21/62/411452162.db2.gz BLYYWDKBJQXLNE-RAIGVLPGSA-N 1 3 247.342 0.801 20 0 BCADHO O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCCNCC1 ZINC000407252775 411476282 /nfs/dbraw/zinc/47/62/82/411476282.db2.gz HVHDLLNKLHAJBS-VXGBXAGGSA-N 1 3 237.347 0.339 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407322067 411479583 /nfs/dbraw/zinc/47/95/83/411479583.db2.gz JVUKWSIVBOPGJK-GHMZBOCLSA-N 1 3 225.336 0.195 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000133783918 169952712 /nfs/dbraw/zinc/95/27/12/169952712.db2.gz JWYREZNXSUNHOW-QWRGUYRKSA-N 1 3 241.379 0.912 20 0 BCADHO CCN1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000038098310 169953225 /nfs/dbraw/zinc/95/32/25/169953225.db2.gz GGCABMGXOZXNPT-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO c1cncc([C@@H]2CNCCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647952927 411495202 /nfs/dbraw/zinc/49/52/02/411495202.db2.gz FPCPAGLVGRLYSO-JSGCOSHPSA-N 1 3 246.358 0.637 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659536090 411501998 /nfs/dbraw/zinc/50/19/98/411501998.db2.gz FFTUATBWUXIBQX-OPRDCNLKSA-N 1 3 246.330 0.065 20 0 BCADHO CC[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)CO1 ZINC000657437856 411510053 /nfs/dbraw/zinc/51/00/53/411510053.db2.gz LZTGIXDDXQGFPP-VXGBXAGGSA-N 1 3 230.352 0.722 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC[C@H]([NH3+])CC)C1 ZINC000659547112 411517057 /nfs/dbraw/zinc/51/70/57/411517057.db2.gz AUTZHMRIFXFOFZ-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC[C@@H]([NH3+])CC)C1 ZINC000659547115 411517221 /nfs/dbraw/zinc/51/72/21/411517221.db2.gz AUTZHMRIFXFOFZ-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H]1C[C@H](N(C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984669 411520109 /nfs/dbraw/zinc/52/01/09/411520109.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 1 3 237.351 0.762 20 0 BCADHO C[C@@H]1C[C@H](N(C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984669 411520110 /nfs/dbraw/zinc/52/01/10/411520110.db2.gz QRSYZCGGVHCSIK-ZYHUDNBSSA-N 1 3 237.351 0.762 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(CCc3cn[nH]n3)CC[C@H]21 ZINC000660012799 411527280 /nfs/dbraw/zinc/52/72/80/411527280.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(CCc3cn[nH]n3)CC[C@H]21 ZINC000660012799 411527282 /nfs/dbraw/zinc/52/72/82/411527282.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 1 3 249.362 0.763 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(CCc3c[nH]nn3)CC[C@H]21 ZINC000660012799 411527283 /nfs/dbraw/zinc/52/72/83/411527283.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(CCc3c[nH]nn3)CC[C@H]21 ZINC000660012799 411527285 /nfs/dbraw/zinc/52/72/85/411527285.db2.gz UPQDYUNEHARQQF-WCQYABFASA-N 1 3 249.362 0.763 20 0 BCADHO C[C@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C ZINC000069633863 411465356 /nfs/dbraw/zinc/46/53/56/411465356.db2.gz ZOIOJJLIPWNGLZ-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)COC)C1 ZINC000053195364 170016710 /nfs/dbraw/zinc/01/67/10/170016710.db2.gz UAJSUKJGWPIBRH-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)COC)C1 ZINC000053195364 170016711 /nfs/dbraw/zinc/01/67/11/170016711.db2.gz UAJSUKJGWPIBRH-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@@H](C)COC)C1 ZINC000053195364 170016712 /nfs/dbraw/zinc/01/67/12/170016712.db2.gz UAJSUKJGWPIBRH-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C)[C@@H](C)C1 ZINC000305130879 170020649 /nfs/dbraw/zinc/02/06/49/170020649.db2.gz MZNYLUSXAQBZNU-AVGNSLFASA-N 1 3 243.395 0.229 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@H](C)C1 ZINC000336778402 170020872 /nfs/dbraw/zinc/02/08/72/170020872.db2.gz LHIZJRSNACUMCZ-KXUCPTDWSA-N 1 3 236.306 0.932 20 0 BCADHO CCN1CC[C@H]([NH2+]CCN(C)C)[C@H](C)C1 ZINC000308864805 170021473 /nfs/dbraw/zinc/02/14/73/170021473.db2.gz ABRMKFZHJSRNDV-NEPJUHHUSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCN(C)C)[C@H](C)C1 ZINC000308864805 170021474 /nfs/dbraw/zinc/02/14/74/170021474.db2.gz ABRMKFZHJSRNDV-NEPJUHHUSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@H+]1CC[C@H](NCCN(C)C)[C@H](C)C1 ZINC000308864805 170021476 /nfs/dbraw/zinc/02/14/76/170021476.db2.gz ABRMKFZHJSRNDV-NEPJUHHUSA-N 1 3 213.369 0.868 20 0 BCADHO CCNC(=O)CN(CC)CC1CC[NH2+]CC1 ZINC000043497659 170056120 /nfs/dbraw/zinc/05/61/20/170056120.db2.gz DEGHXUVSQBGVDS-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](CN)c1ccccc1 ZINC000236947357 170114818 /nfs/dbraw/zinc/11/48/18/170114818.db2.gz AKVJOUCTDKWXGN-GFCCVEGCSA-N 1 3 235.331 0.455 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000358917509 170158149 /nfs/dbraw/zinc/15/81/49/170158149.db2.gz VDGQEIYXBQCRSB-IJLUTSLNSA-N 1 3 241.379 0.973 20 0 BCADHO CCN(CC)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000657816904 411606186 /nfs/dbraw/zinc/60/61/86/411606186.db2.gz PNTVSVQVFYJERM-GFCCVEGCSA-N 1 3 239.367 0.988 20 0 BCADHO C[C@@H](Cn1cncn1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657836914 411609319 /nfs/dbraw/zinc/60/93/19/411609319.db2.gz XVHBZMZDPSBIGG-NWDGAFQWSA-N 1 3 249.362 0.741 20 0 BCADHO C[C@@H](Cn1cncn1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000657836914 411609321 /nfs/dbraw/zinc/60/93/21/411609321.db2.gz XVHBZMZDPSBIGG-NWDGAFQWSA-N 1 3 249.362 0.741 20 0 BCADHO C[C@@H](Cn1cncn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000657836915 411609411 /nfs/dbraw/zinc/60/94/11/411609411.db2.gz XVHBZMZDPSBIGG-RYUDHWBXSA-N 1 3 249.362 0.741 20 0 BCADHO C[C@@H](Cn1cncn1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657836915 411609413 /nfs/dbraw/zinc/60/94/13/411609413.db2.gz XVHBZMZDPSBIGG-RYUDHWBXSA-N 1 3 249.362 0.741 20 0 BCADHO CN(CCOC(C)(C)C)CCN1CC[NH2+]CC1 ZINC000133348854 411716851 /nfs/dbraw/zinc/71/68/51/411716851.db2.gz DRVJGUQILQRUAZ-UHFFFAOYSA-N 1 3 243.395 0.639 20 0 BCADHO CN(CCC[NH3+])Cc1nc2c(s1)CNCC2 ZINC000663496607 411676320 /nfs/dbraw/zinc/67/63/20/411676320.db2.gz XBUKLKXUVFYJTP-UHFFFAOYSA-N 1 3 240.376 0.569 20 0 BCADHO C[C@H](C[NH3+])CNCc1nc2c(s1)CNCC2 ZINC000663497381 411678515 /nfs/dbraw/zinc/67/85/15/411678515.db2.gz NFCQLRNOKZSDEK-MRVPVSSYSA-N 1 3 240.376 0.473 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@H](N)Cc1ccccc1 ZINC000131937077 411692397 /nfs/dbraw/zinc/69/23/97/411692397.db2.gz SSBAJSNHJZHQGO-GFCCVEGCSA-N 1 3 235.331 0.364 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722980 411859282 /nfs/dbraw/zinc/85/92/82/411859282.db2.gz QDJGVKSPNTXBHR-RWMBFGLXSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722980 411859286 /nfs/dbraw/zinc/85/92/86/411859286.db2.gz QDJGVKSPNTXBHR-RWMBFGLXSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CCC(CO)(CO)C1 ZINC000661948256 411918745 /nfs/dbraw/zinc/91/87/45/411918745.db2.gz NPLPSDGYLOTXQW-GFCCVEGCSA-N 1 3 242.363 0.147 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CCC(CO)(CO)C1 ZINC000661948256 411918748 /nfs/dbraw/zinc/91/87/48/411918748.db2.gz NPLPSDGYLOTXQW-GFCCVEGCSA-N 1 3 242.363 0.147 20 0 BCADHO Nc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)ccn1 ZINC000647979545 411941616 /nfs/dbraw/zinc/94/16/16/411941616.db2.gz NMDKJSILXBFSQM-BETUJISGSA-N 1 3 246.358 1.095 20 0 BCADHO C[C@H](CO)C[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662153146 412008434 /nfs/dbraw/zinc/00/84/34/412008434.db2.gz OIGQVLOKSKXICT-WCQYABFASA-N 1 3 242.363 0.146 20 0 BCADHO CC[C@H](O)C[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662149319 412009046 /nfs/dbraw/zinc/00/90/46/412009046.db2.gz MWFAFLADLSKGPK-STQMWFEESA-N 1 3 242.363 0.288 20 0 BCADHO CC[C@@H](O)C[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662149088 412009777 /nfs/dbraw/zinc/00/97/77/412009777.db2.gz MWFAFLADLSKGPK-OLZOCXBDSA-N 1 3 242.363 0.288 20 0 BCADHO COC[C@H](CN[C@](C)(C[NH3+])C(C)C)OC ZINC000662248687 412037289 /nfs/dbraw/zinc/03/72/89/412037289.db2.gz AQURPOPJJQQPPK-WDEREUQCSA-N 1 3 218.341 0.611 20 0 BCADHO COC[C@@H](CN[C@@](C)(C[NH3+])C1CC1)OC ZINC000662248037 412046203 /nfs/dbraw/zinc/04/62/03/412046203.db2.gz RFNZNEPKZJLPBZ-MNOVXSKESA-N 1 3 216.325 0.365 20 0 BCADHO COC[C@H](CN[C@](C)(C[NH3+])C1CC1)OC ZINC000662248039 412047428 /nfs/dbraw/zinc/04/74/28/412047428.db2.gz RFNZNEPKZJLPBZ-WDEREUQCSA-N 1 3 216.325 0.365 20 0 BCADHO COCCN(C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248947 412047688 /nfs/dbraw/zinc/04/76/88/412047688.db2.gz MFXSHFPHKPVIFI-JTQLQIEISA-N 1 3 214.309 0.086 20 0 BCADHO CCC[C@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000662267735 412060095 /nfs/dbraw/zinc/06/00/95/412060095.db2.gz YHYAOUOVOYOSEO-NWDGAFQWSA-N 1 3 227.352 0.049 20 0 BCADHO COC[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662259002 412054178 /nfs/dbraw/zinc/05/41/78/412054178.db2.gz NYEPJBJXRJYCOA-NEPJUHHUSA-N 1 3 240.347 0.618 20 0 BCADHO COC[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662259002 412054181 /nfs/dbraw/zinc/05/41/81/412054181.db2.gz NYEPJBJXRJYCOA-NEPJUHHUSA-N 1 3 240.347 0.618 20 0 BCADHO C([C@H]1CCC2(CNC2)O1)[NH+]1CCCCC1 ZINC000662259603 412054304 /nfs/dbraw/zinc/05/43/04/412054304.db2.gz ZLRBLSRKIFORBI-LLVKDONJSA-N 1 3 210.321 0.993 20 0 BCADHO CC1([NH3+])CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662270049 412060460 /nfs/dbraw/zinc/06/04/60/412060460.db2.gz HKUBPTZHJZXVNF-NSHDSACASA-N 1 3 239.363 0.321 20 0 BCADHO CCC[C@@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000662267734 412060635 /nfs/dbraw/zinc/06/06/35/412060635.db2.gz YHYAOUOVOYOSEO-NEPJUHHUSA-N 1 3 227.352 0.049 20 0 BCADHO CC1([NH3+])CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662270048 412061334 /nfs/dbraw/zinc/06/13/34/412061334.db2.gz HKUBPTZHJZXVNF-LLVKDONJSA-N 1 3 239.363 0.321 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000245918395 171099527 /nfs/dbraw/zinc/09/95/27/171099527.db2.gz GSPXXSMGUOXOFC-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000245918395 171099530 /nfs/dbraw/zinc/09/95/30/171099530.db2.gz GSPXXSMGUOXOFC-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)N ZINC000245918389 171100132 /nfs/dbraw/zinc/10/01/32/171100132.db2.gz GSPXXSMGUOXOFC-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)N ZINC000245918389 171100133 /nfs/dbraw/zinc/10/01/33/171100133.db2.gz GSPXXSMGUOXOFC-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662273199 412064987 /nfs/dbraw/zinc/06/49/87/412064987.db2.gz MVYSXCMIHGZKLS-NEPJUHHUSA-N 1 3 227.352 0.178 20 0 BCADHO CO[C@H](C[N@H+](C)C[C@H](O)CN)C1CCC1 ZINC000662275607 412067104 /nfs/dbraw/zinc/06/71/04/412067104.db2.gz CYQFNCOPTXQCOZ-GHMZBOCLSA-N 1 3 216.325 0.053 20 0 BCADHO CO[C@H](C[N@@H+](C)C[C@H](O)CN)C1CCC1 ZINC000662275607 412067107 /nfs/dbraw/zinc/06/71/07/412067107.db2.gz CYQFNCOPTXQCOZ-GHMZBOCLSA-N 1 3 216.325 0.053 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)[C@H](C)C[NH2+]1 ZINC000662274845 412067358 /nfs/dbraw/zinc/06/73/58/412067358.db2.gz NBMJHAPHQBYAFG-IJLUTSLNSA-N 1 3 239.363 0.190 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000353458267 171146105 /nfs/dbraw/zinc/14/61/05/171146105.db2.gz IYRVKLMOWNDZBU-BJDJZHNGSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000353474227 171148492 /nfs/dbraw/zinc/14/84/92/171148492.db2.gz VOXBXTADWROICB-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@@H](C[N@H+](C)C[C@H](O)CN)C1CCCCC1 ZINC000662276903 412068902 /nfs/dbraw/zinc/06/89/02/412068902.db2.gz NDEVHCMDURRTPB-OLZOCXBDSA-N 1 3 244.379 0.833 20 0 BCADHO CO[C@@H](C[N@@H+](C)C[C@H](O)CN)C1CCCCC1 ZINC000662276903 412068905 /nfs/dbraw/zinc/06/89/05/412068905.db2.gz NDEVHCMDURRTPB-OLZOCXBDSA-N 1 3 244.379 0.833 20 0 BCADHO CC[C@H](C(=O)NCCCC[NH+](C)C)N(C)C ZINC000360955863 171228904 /nfs/dbraw/zinc/22/89/04/171228904.db2.gz DWOBTIXUVOEPJI-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]C)N(CC)CC ZINC000339136284 171229343 /nfs/dbraw/zinc/22/93/43/171229343.db2.gz JTPRRWIBDOQTTK-GHMZBOCLSA-N 1 3 229.368 0.831 20 0 BCADHO COC[C@H](CN1CC[C@H](C)[C@H](C[NH3+])C1)OC ZINC000662282619 412073268 /nfs/dbraw/zinc/07/32/68/412073268.db2.gz PDQFWEYNNFHKQX-TUAOUCFPSA-N 1 3 230.352 0.565 20 0 BCADHO CC[C@H](C(N)=O)N1CCC(CC[NH+](C)C)CC1 ZINC000355754379 171243816 /nfs/dbraw/zinc/24/38/16/171243816.db2.gz SUWSDMULFBOKJH-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO COC[C@@H](C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)OC ZINC000662284204 412075017 /nfs/dbraw/zinc/07/50/17/412075017.db2.gz GATFSVOTRIGTND-XQQFMLRXSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@@H](C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)OC ZINC000662284204 412075020 /nfs/dbraw/zinc/07/50/20/412075020.db2.gz GATFSVOTRIGTND-XQQFMLRXSA-N 1 3 242.363 0.709 20 0 BCADHO C[NH2+]CCCN1CC[C@H](Cn2ccnn2)C1 ZINC000662294917 412083991 /nfs/dbraw/zinc/08/39/91/412083991.db2.gz GYPRGSUOQAPVIN-NSHDSACASA-N 1 3 223.324 0.210 20 0 BCADHO CC[C@H](C)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074210 171325814 /nfs/dbraw/zinc/32/58/14/171325814.db2.gz HQVBZERFBOSMGL-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C[C@@H]1CCC2(CNC2)O1)CC(C)(C)[NH3+] ZINC000662293282 412080945 /nfs/dbraw/zinc/08/09/45/412080945.db2.gz FTTHNEGNSNKIJI-JTQLQIEISA-N 1 3 227.352 0.177 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098270 171370229 /nfs/dbraw/zinc/37/02/29/171370229.db2.gz PSVQBWZUMVWJLV-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249377579 171370275 /nfs/dbraw/zinc/37/02/75/171370275.db2.gz MIRHUBURNMQKPO-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000249377579 171370277 /nfs/dbraw/zinc/37/02/77/171370277.db2.gz MIRHUBURNMQKPO-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000224046669 171370692 /nfs/dbraw/zinc/37/06/92/171370692.db2.gz OQQQKSNVYKXHSN-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@H+](C)CC ZINC000054133201 171371241 /nfs/dbraw/zinc/37/12/41/171371241.db2.gz SOSFHJFTKIUKQD-VHSXEESVSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054133201 171371242 /nfs/dbraw/zinc/37/12/42/171371242.db2.gz SOSFHJFTKIUKQD-VHSXEESVSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971998 171393786 /nfs/dbraw/zinc/39/37/86/171393786.db2.gz AYRFDIJGXXTTEH-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309404703 171394372 /nfs/dbraw/zinc/39/43/72/171394372.db2.gz HWKRLHGCGVHGSA-QEYWKRMJSA-N 1 3 213.325 0.308 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380461 171395031 /nfs/dbraw/zinc/39/50/31/171395031.db2.gz ARFQBLDTNXMOJA-QWRGUYRKSA-N 1 3 245.367 0.054 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000035663363 171395276 /nfs/dbraw/zinc/39/52/76/171395276.db2.gz LUAWBCJOSIIFID-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248865241 171395679 /nfs/dbraw/zinc/39/56/79/171395679.db2.gz NACZGKGFOFYYJN-MMWGEVLESA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000248865245 171397071 /nfs/dbraw/zinc/39/70/71/171397071.db2.gz NACZGKGFOFYYJN-VLEAKVRGSA-N 1 3 227.352 0.617 20 0 BCADHO [NH3+]CC12CC(C1)CN2CC1CCOCC1 ZINC000662304201 412088391 /nfs/dbraw/zinc/08/83/91/412088391.db2.gz MPZVJCUPWHUHNF-UHFFFAOYSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@@]12COC[C@]1(C)CN(C[C@H]1CC[NH2+]C1)C2 ZINC000662302589 412088403 /nfs/dbraw/zinc/08/84/03/412088403.db2.gz NBKMHGSKTINPLF-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO CNC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313968 412096367 /nfs/dbraw/zinc/09/63/67/412096367.db2.gz AMTZSMBIGBAUJB-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000662389434 412141899 /nfs/dbraw/zinc/14/18/99/412141899.db2.gz XIZNJNVNQZFTEJ-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CC12CC(C1)C[N@@H+]2C[C@H]1CCC2(CNC2)O1 ZINC000662338254 412108524 /nfs/dbraw/zinc/10/85/24/412108524.db2.gz PLONFXWDQQVCCJ-MOENNCHZSA-N 1 3 222.332 0.992 20 0 BCADHO CC12CC(C1)C[N@H+]2C[C@H]1CCC2(CNC2)O1 ZINC000662338254 412108527 /nfs/dbraw/zinc/10/85/27/412108527.db2.gz PLONFXWDQQVCCJ-MOENNCHZSA-N 1 3 222.332 0.992 20 0 BCADHO C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000665243354 412186983 /nfs/dbraw/zinc/18/69/83/412186983.db2.gz AXYINMFMNVBZLU-GARJFASQSA-N 1 3 209.337 0.563 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000662497430 412193713 /nfs/dbraw/zinc/19/37/13/412193713.db2.gz IESDRMMPOMUNOJ-WCABBAIRSA-N 1 3 225.336 0.193 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000662515432 412201240 /nfs/dbraw/zinc/20/12/40/412201240.db2.gz RLLPILMLDHRIRS-GFCCVEGCSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000662515971 412201751 /nfs/dbraw/zinc/20/17/51/412201751.db2.gz WXEBMMDDNHNQNH-LLVKDONJSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662519534 412203138 /nfs/dbraw/zinc/20/31/38/412203138.db2.gz VREHNGHEUSAZGG-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000662539918 412208149 /nfs/dbraw/zinc/20/81/49/412208149.db2.gz OAMDPZQLNAEEHS-NHCYSSNCSA-N 1 3 239.363 0.726 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000662539920 412208286 /nfs/dbraw/zinc/20/82/86/412208286.db2.gz OAMDPZQLNAEEHS-UMNHJUIQSA-N 1 3 239.363 0.726 20 0 BCADHO O=C(N1CCCNCC1)C1([NH2+]C2CC2)CCC1 ZINC000662395047 412144935 /nfs/dbraw/zinc/14/49/35/412144935.db2.gz BCBLQGFDHXIKLI-UHFFFAOYSA-N 1 3 237.347 0.483 20 0 BCADHO [NH3+]CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662393956 412145125 /nfs/dbraw/zinc/14/51/25/412145125.db2.gz MFMVEVITFRXVOX-GFCCVEGCSA-N 1 3 233.315 0.686 20 0 BCADHO C[NH2+]CCCNC(=O)C1(NC2CC2)CCC1 ZINC000662398597 412147272 /nfs/dbraw/zinc/14/72/72/412147272.db2.gz XSTBOTBDAVOISG-UHFFFAOYSA-N 1 3 225.336 0.387 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)C1(NC2CC2)CCC1 ZINC000662410665 412155913 /nfs/dbraw/zinc/15/59/13/412155913.db2.gz CCZGFOYXXJGRCG-NSHDSACASA-N 1 3 237.347 0.529 20 0 BCADHO O=C(NCC[NH2+]C1CC1)C1(NC2CC2)CCC1 ZINC000662411009 412156052 /nfs/dbraw/zinc/15/60/52/412156052.db2.gz GMSBTORORYSUME-UHFFFAOYSA-N 1 3 237.347 0.529 20 0 BCADHO CN(C(=O)c1cccc2c1CNC2)[C@H]1CC[NH2+]C1 ZINC000662415672 412156582 /nfs/dbraw/zinc/15/65/82/412156582.db2.gz VGFKUNWVMILHLU-NSHDSACASA-N 1 3 245.326 0.724 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662419158 412160201 /nfs/dbraw/zinc/16/02/01/412160201.db2.gz DYVZKBCWSXQTNZ-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO COC[C@H](CC[NH2+][C@H](C)C[C@@H](C)N)OC ZINC000665234395 412174508 /nfs/dbraw/zinc/17/45/08/412174508.db2.gz CFIHLMYZFXGKBQ-MXWKQRLJSA-N 1 3 218.341 0.753 20 0 BCADHO C[NH+](C)CCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662660044 412261256 /nfs/dbraw/zinc/26/12/56/412261256.db2.gz SFWLEQGVKSQLMQ-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N(C)C1CCN(CC)CC1 ZINC000662673575 412267447 /nfs/dbraw/zinc/26/74/47/412267447.db2.gz OAXFFAHTGSEJMC-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662681163 412269518 /nfs/dbraw/zinc/26/95/18/412269518.db2.gz VPCYDFLXVVGOSJ-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662684701 412270530 /nfs/dbraw/zinc/27/05/30/412270530.db2.gz HCAFVGYRTZNIIU-SRVKXCTJSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662693938 412273625 /nfs/dbraw/zinc/27/36/25/412273625.db2.gz NGAHYDMMQJUNKN-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662695403 412274053 /nfs/dbraw/zinc/27/40/53/412274053.db2.gz ZPHGQGCNSABMHK-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000662695299 412274673 /nfs/dbraw/zinc/27/46/73/412274673.db2.gz YZNDQGXUOKBFGY-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H](CC)[NH2+]C)C1 ZINC000662704213 412276348 /nfs/dbraw/zinc/27/63/48/412276348.db2.gz WRMDXHLUVHFRIH-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)CNC1CC1 ZINC000662724066 412284526 /nfs/dbraw/zinc/28/45/26/412284526.db2.gz LFTOGAFOCCWDNV-SNVBAGLBSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723732 412284812 /nfs/dbraw/zinc/28/48/12/412284812.db2.gz IWSXZZYGZSTWTH-ZSWLNHAKSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662731468 412286675 /nfs/dbraw/zinc/28/66/75/412286675.db2.gz DFWHCWPBYBRLAT-DBIOUOCHSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000662557888 412216048 /nfs/dbraw/zinc/21/60/48/412216048.db2.gz PHBGWOBKLALAOM-UWVGGRQHSA-N 1 3 213.325 0.099 20 0 BCADHO CN(CC[NH3+])C(=O)C[C@@H]1NCc2ccccc21 ZINC000662574614 412225963 /nfs/dbraw/zinc/22/59/63/412225963.db2.gz LHHBLFRVBGCVBE-LBPRGKRZSA-N 1 3 233.315 0.638 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000662575963 412226389 /nfs/dbraw/zinc/22/63/89/412226389.db2.gz XMFXIBIIQSVHQU-LPEHRKFASA-N 1 3 213.325 0.038 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)CC(F)F ZINC000662605986 412237823 /nfs/dbraw/zinc/23/78/23/412237823.db2.gz WHPNKQRCDZWTNO-LURJTMIESA-N 1 3 223.267 0.165 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662608209 412238387 /nfs/dbraw/zinc/23/83/87/412238387.db2.gz JVVVCKIRSPCOII-UHFFFAOYSA-N 1 3 215.341 0.522 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662621846 412244371 /nfs/dbraw/zinc/24/43/71/412244371.db2.gz XMIUPZRYNLVASF-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662636007 412252417 /nfs/dbraw/zinc/25/24/17/412252417.db2.gz XHGCQDMDMPJKRV-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](NC)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000662815383 412309134 /nfs/dbraw/zinc/30/91/34/412309134.db2.gz DJGMZISLUFFUKI-RYUDHWBXSA-N 1 3 247.342 0.901 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662823335 412311736 /nfs/dbraw/zinc/31/17/36/412311736.db2.gz VOOORLGSESFFMK-HAQNSBGRSA-N 1 3 239.363 0.524 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C1(N)CCCCC1 ZINC000662842230 412313782 /nfs/dbraw/zinc/31/37/82/412313782.db2.gz IONJZEDJTMXCIC-UHFFFAOYSA-N 1 3 227.352 0.844 20 0 BCADHO CN(CCN1CCCCC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662833360 412315380 /nfs/dbraw/zinc/31/53/80/412315380.db2.gz NWSPETSYEKXYBZ-HAQNSBGRSA-N 1 3 239.363 0.668 20 0 BCADHO [NH3+]CCCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662838148 412316581 /nfs/dbraw/zinc/31/65/81/412316581.db2.gz MCIPNLXRLHLLKV-NWDGAFQWSA-N 1 3 239.363 0.858 20 0 BCADHO [NH3+]CCCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662838147 412316592 /nfs/dbraw/zinc/31/65/92/412316592.db2.gz MCIPNLXRLHLLKV-NEPJUHHUSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837776 412317014 /nfs/dbraw/zinc/31/70/14/412317014.db2.gz KZICEJBNLOMQAC-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837776 412317015 /nfs/dbraw/zinc/31/70/15/412317015.db2.gz KZICEJBNLOMQAC-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000662840082 412318446 /nfs/dbraw/zinc/31/84/46/412318446.db2.gz XNKDHWHFMXNZTH-TUAOUCFPSA-N 1 3 237.347 0.481 20 0 BCADHO NCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662846073 412319847 /nfs/dbraw/zinc/31/98/47/412319847.db2.gz NQKNZADWYOXMTH-NSHDSACASA-N 1 3 225.336 0.183 20 0 BCADHO NCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000573 412366767 /nfs/dbraw/zinc/36/67/67/412366767.db2.gz JVNGBXRRJOMMLW-LLVKDONJSA-N 1 3 225.336 0.183 20 0 BCADHO NCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000573 412366770 /nfs/dbraw/zinc/36/67/70/412366770.db2.gz JVNGBXRRJOMMLW-LLVKDONJSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H](CCNC(=O)C1(N)CCCC1)[NH+](C)C ZINC000662859129 412327001 /nfs/dbraw/zinc/32/70/01/412327001.db2.gz KELIRGJLUKQURE-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000662860313 412327804 /nfs/dbraw/zinc/32/78/04/412327804.db2.gz HNJAUJLZAJBEEV-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)[C@H](C(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000662863125 412329425 /nfs/dbraw/zinc/32/94/25/412329425.db2.gz LKPWVQICLCYKCK-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863346 412329685 /nfs/dbraw/zinc/32/96/85/412329685.db2.gz OVVGLMBMCPPTQU-WDEREUQCSA-N 1 3 239.363 0.762 20 0 BCADHO NC1(C(=O)N2CC3CC2(C[NH3+])C3)CCCC1 ZINC000662877330 412333273 /nfs/dbraw/zinc/33/32/73/412333273.db2.gz USJFXMGJIXEPKC-UHFFFAOYSA-N 1 3 223.320 0.208 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)[C@H](C[NH3+])C1 ZINC000662896237 412338350 /nfs/dbraw/zinc/33/83/50/412338350.db2.gz ISJVOYPINPEUCU-VGMNWLOBSA-N 1 3 249.305 0.555 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000662925888 412347009 /nfs/dbraw/zinc/34/70/09/412347009.db2.gz DPLPCQTXZFKICM-QJPTWQEYSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)C(C)(C)C ZINC000662924887 412347107 /nfs/dbraw/zinc/34/71/07/412347107.db2.gz KVVJYIOVHXFUCF-NXEZZACHSA-N 1 3 229.368 0.849 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000662944908 412350788 /nfs/dbraw/zinc/35/07/88/412350788.db2.gz ANPWGIZWFRQBHN-LNFKQOIKSA-N 1 3 243.326 0.272 20 0 BCADHO CC[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]1 ZINC000662945159 412351299 /nfs/dbraw/zinc/35/12/99/412351299.db2.gz HMXRPOCUGREVKQ-FOGDFJRCSA-N 1 3 243.326 0.416 20 0 BCADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662945146 412351676 /nfs/dbraw/zinc/35/16/76/412351676.db2.gz GYENYLBGWBNIGS-BBBLOLIVSA-N 1 3 243.326 0.272 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)CC[C@H]1F ZINC000662945881 412351742 /nfs/dbraw/zinc/35/17/42/412351742.db2.gz WCFGJZQDBNSVGX-HBNTYKKESA-N 1 3 243.326 0.274 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000662952820 412352754 /nfs/dbraw/zinc/35/27/54/412352754.db2.gz HUADYRHGFHYUNS-BDAKNGLRSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000662953162 412353944 /nfs/dbraw/zinc/35/39/44/412353944.db2.gz KKYCQFVXUFSLCR-SNVBAGLBSA-N 1 3 247.342 0.207 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1NCCCC1(C)C ZINC000662967145 412358536 /nfs/dbraw/zinc/35/85/36/412358536.db2.gz FSMQMGZNAVTDIK-ZJUUUORDSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1C ZINC000132922016 412358850 /nfs/dbraw/zinc/35/88/50/412358850.db2.gz RZJIMMLDNPRCAC-YFKTTZPYSA-N 1 3 239.363 0.713 20 0 BCADHO N[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662748114 412289645 /nfs/dbraw/zinc/28/96/45/412289645.db2.gz LVQISVHHXAJHPF-IVZWLZJFSA-N 1 3 229.299 0.026 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CC2)CCN1C ZINC000662746229 412289991 /nfs/dbraw/zinc/28/99/91/412289991.db2.gz SBTFOVBRLNDWKA-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747320 412290131 /nfs/dbraw/zinc/29/01/31/412290131.db2.gz SLFISHXLNKSOGL-JLIMGVALSA-N 1 3 231.315 0.258 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662747289 412290269 /nfs/dbraw/zinc/29/02/69/412290269.db2.gz YZYWPXZIPVMLGK-FIQHERPVSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754336 412291242 /nfs/dbraw/zinc/29/12/42/412291242.db2.gz LASWGRCEEFISKT-DNRKLUKYSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662755918 412292054 /nfs/dbraw/zinc/29/20/54/412292054.db2.gz DMVVMNVGTNXQJO-SECBINFHSA-N 1 3 225.336 0.359 20 0 BCADHO [NH3+][C@@H](CNC(=O)C1(NC2CC2)CCC1)C1CC1 ZINC000662763357 412293372 /nfs/dbraw/zinc/29/33/72/412293372.db2.gz YCZZOECLFXTYDO-NSHDSACASA-N 1 3 237.347 0.515 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000662765342 412294515 /nfs/dbraw/zinc/29/45/15/412294515.db2.gz YLGAUHUTYOYHJG-NSHDSACASA-N 1 3 248.330 0.664 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCC2)CC2(CCC2)C1 ZINC000662764709 412294588 /nfs/dbraw/zinc/29/45/88/412294588.db2.gz NBHDIOUIKAIPRQ-UHFFFAOYSA-N 1 3 237.347 0.646 20 0 BCADHO C[C@H]([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662774958 412298423 /nfs/dbraw/zinc/29/84/23/412298423.db2.gz RTRYPIGDBBDSJG-QMMMGPOBSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999889 412365957 /nfs/dbraw/zinc/36/59/57/412365957.db2.gz CWHVKDUVLJZTTM-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999889 412365959 /nfs/dbraw/zinc/36/59/59/412365959.db2.gz CWHVKDUVLJZTTM-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999888 412365991 /nfs/dbraw/zinc/36/59/91/412365991.db2.gz CWHVKDUVLJZTTM-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999888 412365992 /nfs/dbraw/zinc/36/59/92/412365992.db2.gz CWHVKDUVLJZTTM-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000662782356 412300683 /nfs/dbraw/zinc/30/06/83/412300683.db2.gz ZAFKEQUJNHZOAV-DOLQZWNJSA-N 1 3 213.325 0.097 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000662792250 412303824 /nfs/dbraw/zinc/30/38/24/412303824.db2.gz POSDGHNFPZHVBT-MGCOHNPYSA-N 1 3 223.320 0.030 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(CCOC)CCN(C)C ZINC000662791261 412304327 /nfs/dbraw/zinc/30/43/27/412304327.db2.gz PQSYCFNTUONPMD-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795127 412305072 /nfs/dbraw/zinc/30/50/72/412305072.db2.gz XAQWVDNWXXWZMI-KKOKHZNYSA-N 1 3 239.363 0.522 20 0 BCADHO CCN(CC)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663009546 412368939 /nfs/dbraw/zinc/36/89/39/412368939.db2.gz FCKSXYUTSVKOHG-LLVKDONJSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@]1(NC(=O)[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000663012143 412370115 /nfs/dbraw/zinc/37/01/15/412370115.db2.gz UQMFOSSJLNLFBC-SCZZXKLOSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CCC2)CCN1C ZINC000132971657 412378139 /nfs/dbraw/zinc/37/81/39/412378139.db2.gz HQYFURLOBGHIJY-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO CN(C(=O)[C@@H](CN)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179061925 172324790 /nfs/dbraw/zinc/32/47/90/172324790.db2.gz YYMRFGJTXNJMKO-STQMWFEESA-N 1 3 247.342 0.549 20 0 BCADHO CN(C(=O)[C@@H](N)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178409301 172325331 /nfs/dbraw/zinc/32/53/31/172325331.db2.gz OGHSTWXVCAEDLF-STQMWFEESA-N 1 3 247.342 0.377 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000304633459 172358457 /nfs/dbraw/zinc/35/84/57/172358457.db2.gz VVHBGAHWODAVBM-GFCCVEGCSA-N 1 3 225.336 0.150 20 0 BCADHO CN(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335397038 172365081 /nfs/dbraw/zinc/36/50/81/172365081.db2.gz SFAOUWHZTMKIQU-PHIMTYICSA-N 1 3 225.336 0.006 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)C(N)C(F)(F)F ZINC000353462960 172394779 /nfs/dbraw/zinc/39/47/79/172394779.db2.gz URFAYIRBROTBJE-ZCFIWIBFSA-N 1 3 241.257 0.332 20 0 BCADHO CN(C)C/C=C/C(=O)NCCCC[NH+](C)C ZINC000265670938 172399815 /nfs/dbraw/zinc/39/98/15/172399815.db2.gz HHNBDLLVUKKDGD-BQYQJAHWSA-N 1 3 227.352 0.562 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(C)(C)N)C1 ZINC000237045475 172536799 /nfs/dbraw/zinc/53/67/99/172536799.db2.gz TYNRKISXIHYDQM-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCNC(C)(C)CC(N)=O ZINC000309544291 173027115 /nfs/dbraw/zinc/02/71/15/173027115.db2.gz GNKGSSWNCHGUMN-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCNC(C)(C)CC(N)=O ZINC000309544291 173027116 /nfs/dbraw/zinc/02/71/16/173027116.db2.gz GNKGSSWNCHGUMN-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(C)(C)N ZINC000371262369 173032785 /nfs/dbraw/zinc/03/27/85/173032785.db2.gz LGEQTKZOYYBGFR-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C(C)(C)N ZINC000371262369 173032788 /nfs/dbraw/zinc/03/27/88/173032788.db2.gz LGEQTKZOYYBGFR-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227424845 173055187 /nfs/dbraw/zinc/05/51/87/173055187.db2.gz XXQABRKUHWBNPB-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000309221328 173057464 /nfs/dbraw/zinc/05/74/64/173057464.db2.gz YEAFOXKKCHNACM-YUMQZZPRSA-N 1 3 235.278 0.179 20 0 BCADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000309221328 173057467 /nfs/dbraw/zinc/05/74/67/173057467.db2.gz YEAFOXKKCHNACM-YUMQZZPRSA-N 1 3 235.278 0.179 20 0 BCADHO CN1CC[C@]2(CC[N@H+](CCn3cncn3)C2)C1 ZINC000336732906 173166707 /nfs/dbraw/zinc/16/67/07/173166707.db2.gz ZWWRQZSJJVKSDA-LBPRGKRZSA-N 1 3 235.335 0.306 20 0 BCADHO CN1CC[C@]2(CC[N@@H+](CCn3cncn3)C2)C1 ZINC000336732906 173166708 /nfs/dbraw/zinc/16/67/08/173166708.db2.gz ZWWRQZSJJVKSDA-LBPRGKRZSA-N 1 3 235.335 0.306 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359089656 173282180 /nfs/dbraw/zinc/28/21/80/173282180.db2.gz BSTVUVJDGVUCAE-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359089656 173282181 /nfs/dbraw/zinc/28/21/81/173282181.db2.gz BSTVUVJDGVUCAE-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000341982826 173282818 /nfs/dbraw/zinc/28/28/18/173282818.db2.gz VLGOFRLSEWLPMX-QJPTWQEYSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000341982826 173282819 /nfs/dbraw/zinc/28/28/19/173282819.db2.gz VLGOFRLSEWLPMX-QJPTWQEYSA-N 1 3 241.379 0.973 20 0 BCADHO C[NH2+]CC(=O)N1CCCN(C(C)C)CC1 ZINC000108329445 173325997 /nfs/dbraw/zinc/32/59/97/173325997.db2.gz GAKLBEQHQSRLJG-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CNCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000366626524 173326358 /nfs/dbraw/zinc/32/63/58/173326358.db2.gz BQCGJVRNGCUVOC-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000237198346 173327082 /nfs/dbraw/zinc/32/70/82/173327082.db2.gz ATJLYEIWINWHIY-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237220744 173328422 /nfs/dbraw/zinc/32/84/22/173328422.db2.gz GWYNPEHUCQNGLG-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CNCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000237220744 173328424 /nfs/dbraw/zinc/32/84/24/173328424.db2.gz GWYNPEHUCQNGLG-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CNCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042279 173328878 /nfs/dbraw/zinc/32/88/78/173328878.db2.gz NKFFBWNUCWHPJK-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237230366 173329572 /nfs/dbraw/zinc/32/95/72/173329572.db2.gz RJZZNEZGHVSIBX-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237230366 173329574 /nfs/dbraw/zinc/32/95/74/173329574.db2.gz RJZZNEZGHVSIBX-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930859 173329645 /nfs/dbraw/zinc/32/96/45/173329645.db2.gz HEUHFVYYJYPJMH-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CNCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670575 173329993 /nfs/dbraw/zinc/32/99/93/173329993.db2.gz HEHFASOARAUEDW-DGCLKSJQSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040420120 173330152 /nfs/dbraw/zinc/33/01/52/173330152.db2.gz OUGZJOSSKQFLJT-GFCCVEGCSA-N 1 3 235.331 0.625 20 0 BCADHO C[NH2+]CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000036999107 173330204 /nfs/dbraw/zinc/33/02/04/173330204.db2.gz FMWPZRZKXPRULZ-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[NH2+]CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000375961688 173330655 /nfs/dbraw/zinc/33/06/55/173330655.db2.gz CTJHGAMCKSCWLA-GFCCVEGCSA-N 1 3 233.315 0.209 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726834 173344985 /nfs/dbraw/zinc/34/49/85/173344985.db2.gz LLKLYSGJQCKSPJ-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](CN)c1ccccc1 ZINC000124633768 173345715 /nfs/dbraw/zinc/34/57/15/173345715.db2.gz VHPJCCWXFXVRPV-CYBMUJFWSA-N 1 3 249.358 0.797 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000121021134 173348135 /nfs/dbraw/zinc/34/81/35/173348135.db2.gz XHRXOKWTOUOISJ-JTQLQIEISA-N 1 3 215.341 0.298 20 0 BCADHO C[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC000237280970 173351062 /nfs/dbraw/zinc/35/10/62/173351062.db2.gz YUBLUGLCSNLHJO-UHFFFAOYSA-N 1 3 201.314 0.004 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000237312532 173351909 /nfs/dbraw/zinc/35/19/09/173351909.db2.gz FZMIEFSRRXLJHU-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000226394658 173374329 /nfs/dbraw/zinc/37/43/29/173374329.db2.gz MDPIFUYNFITDKD-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO COCCOC1CCN(CCOCC[NH3+])CC1 ZINC000357107521 174343627 /nfs/dbraw/zinc/34/36/27/174343627.db2.gz RQSOJCPYIZKDQJ-UHFFFAOYSA-N 1 3 246.351 0.089 20 0 BCADHO COCCOCCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070026698 174353743 /nfs/dbraw/zinc/35/37/43/174353743.db2.gz VPBQYZYYLYLHDU-RYUDHWBXSA-N 1 3 230.352 0.709 20 0 BCADHO C[C@H]1CNC[C@@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640267 487628595 /nfs/dbraw/zinc/62/85/95/487628595.db2.gz GXJPQWPYXWILKB-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO CCN1CCCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000383489544 487629995 /nfs/dbraw/zinc/62/99/95/487629995.db2.gz APEIQBYNIYNETP-ZDUSSCGKSA-N 1 3 243.395 0.327 20 0 BCADHO CCN1CCCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000383489544 487629998 /nfs/dbraw/zinc/62/99/98/487629998.db2.gz APEIQBYNIYNETP-ZDUSSCGKSA-N 1 3 243.395 0.327 20 0 BCADHO C[C@@H](CNC(=O)CC[NH3+])N1CCCCC1 ZINC000038029454 175723849 /nfs/dbraw/zinc/72/38/49/175723849.db2.gz FTHOVCHTDJAIGE-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230831 175794578 /nfs/dbraw/zinc/79/45/78/175794578.db2.gz NKAVIPBFBBBJAX-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237678123 176070911 /nfs/dbraw/zinc/07/09/11/176070911.db2.gz GJXNVXFLCHEJFT-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN ZINC000019471020 176071306 /nfs/dbraw/zinc/07/13/06/176071306.db2.gz BHJJZDCIMMNNJI-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN ZINC000019471020 176071310 /nfs/dbraw/zinc/07/13/10/176071310.db2.gz BHJJZDCIMMNNJI-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C[C@@H]1C[NH3+] ZINC000332446905 176159778 /nfs/dbraw/zinc/15/97/78/176159778.db2.gz MHOQTQKOINDETO-USWWRNFRSA-N 1 3 239.363 0.557 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C[C@@H]1C[NH3+] ZINC000332446903 176161724 /nfs/dbraw/zinc/16/17/24/176161724.db2.gz MHOQTQKOINDETO-ADEWGFFLSA-N 1 3 239.363 0.557 20 0 BCADHO C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)[C@H](C)CN1 ZINC000356371364 176247489 /nfs/dbraw/zinc/24/74/89/176247489.db2.gz GPNXJZVILREXQI-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)[C@H](C)CN1 ZINC000331893675 176251381 /nfs/dbraw/zinc/25/13/81/176251381.db2.gz RJVZYWVANFOEJY-KKZNHRDASA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)[C@H](C)CN1 ZINC000332147131 176252182 /nfs/dbraw/zinc/25/21/82/176252182.db2.gz NRZQIDDNPCYIND-FXPVBKGRSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000362615723 176272210 /nfs/dbraw/zinc/27/22/10/176272210.db2.gz JDIGBEVRYXCMIW-PWSUYJOCSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000362615723 176272211 /nfs/dbraw/zinc/27/22/11/176272211.db2.gz JDIGBEVRYXCMIW-PWSUYJOCSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000362763384 176272734 /nfs/dbraw/zinc/27/27/34/176272734.db2.gz RLIKKLGFQAFBPZ-UTUOFQBUSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000362763384 176272735 /nfs/dbraw/zinc/27/27/35/176272735.db2.gz RLIKKLGFQAFBPZ-UTUOFQBUSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875586 176276354 /nfs/dbraw/zinc/27/63/54/176276354.db2.gz MFPJCHPLBNWYDW-GHMZBOCLSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875586 176276355 /nfs/dbraw/zinc/27/63/55/176276355.db2.gz MFPJCHPLBNWYDW-GHMZBOCLSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[NH2+]1 ZINC000336229368 176372833 /nfs/dbraw/zinc/37/28/33/176372833.db2.gz BXFYXWKSXWIMEO-ZJUUUORDSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CC2)CC[N@@H+]1C ZINC000132918368 176373094 /nfs/dbraw/zinc/37/30/94/176373094.db2.gz TYCFHPUPRDKBDP-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CC2)CC[N@H+]1C ZINC000132918368 176373096 /nfs/dbraw/zinc/37/30/96/176373096.db2.gz TYCFHPUPRDKBDP-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)CCN1C ZINC000132939040 176373974 /nfs/dbraw/zinc/37/39/74/176373974.db2.gz XFKIVMXRIBYQGM-NTZNESFSSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](O)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000336647259 176383254 /nfs/dbraw/zinc/38/32/54/176383254.db2.gz LWBQZYOOKAZLRG-GRYCIOLGSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1C[C@@H](O)CN1CC[C@@H]1CCC[N@H+]1C ZINC000336647259 176383257 /nfs/dbraw/zinc/38/32/57/176383257.db2.gz LWBQZYOOKAZLRG-GRYCIOLGSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1C[C@@H]1C[NH2+]CC1(O)CCN(C)CC1 ZINC000309099406 176395872 /nfs/dbraw/zinc/39/58/72/176395872.db2.gz FBQWBZUYMKRCLD-GHMZBOCLSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCc1cccc(CN(C)C)c1 ZINC000262535365 176656356 /nfs/dbraw/zinc/65/63/56/176656356.db2.gz MOEPNIVMDHHDNT-LLVKDONJSA-N 1 3 249.358 0.959 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)C(C)(C)C[NH3+] ZINC000044752083 176665294 /nfs/dbraw/zinc/66/52/94/176665294.db2.gz SWERDFJOKJADSI-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237510049 177075527 /nfs/dbraw/zinc/07/55/27/177075527.db2.gz BYHFSAHWZBPQAD-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237498604 177098647 /nfs/dbraw/zinc/09/86/47/177098647.db2.gz DTVKHXLHZDETBL-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000346229977 177185963 /nfs/dbraw/zinc/18/59/63/177185963.db2.gz SUGRZBMCZUUYGI-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH2+]CC1 ZINC000336516379 177199429 /nfs/dbraw/zinc/19/94/29/177199429.db2.gz AHMXZACPQVXXJB-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335605719 177236459 /nfs/dbraw/zinc/23/64/59/177236459.db2.gz FPTCYSPKGIFOKC-AAEUAGOBSA-N 1 3 223.364 0.788 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C)CC[NH2+]1 ZINC000235634711 177308381 /nfs/dbraw/zinc/30/83/81/177308381.db2.gz DZTPLJJVIADPMX-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1cnn(C)c1 ZINC000228659139 177324495 /nfs/dbraw/zinc/32/44/95/177324495.db2.gz KMSWJDVTJPBVCL-JQWIXIFHSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[NH2+]1 ZINC000336229366 177328467 /nfs/dbraw/zinc/32/84/67/177328467.db2.gz BXFYXWKSXWIMEO-UWVGGRQHSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CCN1C ZINC000133150785 177329004 /nfs/dbraw/zinc/32/90/04/177329004.db2.gz KYPUKFULLNOADH-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000331759730 177330101 /nfs/dbraw/zinc/33/01/01/177330101.db2.gz JWSFPNGCBJQTNN-KXUCPTDWSA-N 1 3 240.351 0.258 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N(C)C ZINC000037751912 177331065 /nfs/dbraw/zinc/33/10/65/177331065.db2.gz KDNWHEHKQPFKGQ-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC(=O)N(C)C ZINC000037751912 177331068 /nfs/dbraw/zinc/33/10/68/177331068.db2.gz KDNWHEHKQPFKGQ-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC[NH3+])CN1C1CC1 ZINC000237637965 177366917 /nfs/dbraw/zinc/36/69/17/177366917.db2.gz KMUMTAGCFPKNHL-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226864109 177368351 /nfs/dbraw/zinc/36/83/51/177368351.db2.gz MSNJCURMHZQZBY-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1C ZINC000132917231 177368383 /nfs/dbraw/zinc/36/83/83/177368383.db2.gz TVIMEBFVRVYYOQ-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000237564830 177368532 /nfs/dbraw/zinc/36/85/32/177368532.db2.gz FKNVQCUKBXYISZ-AXFHLTTASA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@@H](C)N(C)C ZINC000038089336 487640836 /nfs/dbraw/zinc/64/08/36/487640836.db2.gz CQIVZOUEIXOIHA-SECBINFHSA-N 1 3 201.314 0.051 20 0 BCADHO [NH3+]CCN(Cc1ccccc1)C(=O)CNC1CC1 ZINC000184200106 487646901 /nfs/dbraw/zinc/64/69/01/487646901.db2.gz XRDJBXZWOFORNA-UHFFFAOYSA-N 1 3 247.342 0.726 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649525 226310717 /nfs/dbraw/zinc/31/07/17/226310717.db2.gz KQDZVOVHEXJEOD-WDEREUQCSA-N 1 3 241.335 0.688 20 0 BCADHO CN1CCC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000226047576 487653406 /nfs/dbraw/zinc/65/34/06/487653406.db2.gz FGDDRODDPRZQON-CHWSQXEVSA-N 1 3 241.379 0.127 20 0 BCADHO CC(C)[N@H+](C)C[C@H](O)CN1CCCN(C)CC1 ZINC000383637285 487654210 /nfs/dbraw/zinc/65/42/10/487654210.db2.gz YOVVJYZEFYULMG-ZDUSSCGKSA-N 1 3 243.395 0.325 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCCN(C)CC1 ZINC000383637285 487654213 /nfs/dbraw/zinc/65/42/13/487654213.db2.gz YOVVJYZEFYULMG-ZDUSSCGKSA-N 1 3 243.395 0.325 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000335720943 487661238 /nfs/dbraw/zinc/66/12/38/487661238.db2.gz UWOOMEXHQMZJMF-UWVGGRQHSA-N 1 3 225.336 0.644 20 0 BCADHO CNCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662591971 487664060 /nfs/dbraw/zinc/66/40/60/487664060.db2.gz HKCCKQKOICMFJR-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662591971 487664065 /nfs/dbraw/zinc/66/40/65/487664065.db2.gz HKCCKQKOICMFJR-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](O)CNC(C)(C)C(C)(C)O ZINC000383732791 487669144 /nfs/dbraw/zinc/66/91/44/487669144.db2.gz HGOUQXSECQHFLA-NSHDSACASA-N 1 3 246.395 0.827 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](O)CNC(C)(C)C(C)(C)O ZINC000383732791 487669145 /nfs/dbraw/zinc/66/91/45/487669145.db2.gz HGOUQXSECQHFLA-NSHDSACASA-N 1 3 246.395 0.827 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)CC(C)C ZINC000151328500 487671778 /nfs/dbraw/zinc/67/17/78/487671778.db2.gz CXHYQWXNDGVJRL-SECBINFHSA-N 1 3 201.314 0.086 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775317 487673236 /nfs/dbraw/zinc/67/32/36/487673236.db2.gz OBEKIJRDXMKUDI-YNEHKIRRSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775317 487673238 /nfs/dbraw/zinc/67/32/38/487673238.db2.gz OBEKIJRDXMKUDI-YNEHKIRRSA-N 1 3 244.379 0.390 20 0 BCADHO CC[N@H+](C)C[C@H](O)CNC1(CO)CCCCC1 ZINC000383786601 487674172 /nfs/dbraw/zinc/67/41/72/487674172.db2.gz QEMIBADFEGIFHO-GFCCVEGCSA-N 1 3 244.379 0.584 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CNC1(CO)CCCCC1 ZINC000383786601 487674176 /nfs/dbraw/zinc/67/41/76/487674176.db2.gz QEMIBADFEGIFHO-GFCCVEGCSA-N 1 3 244.379 0.584 20 0 BCADHO NC1(C(=O)NC2CCC([NH3+])CC2)CCC1 ZINC000088050994 487696986 /nfs/dbraw/zinc/69/69/86/487696986.db2.gz GYBPUSCGLCUMRX-UHFFFAOYSA-N 1 3 211.309 0.254 20 0 BCADHO CN(C(=O)N[C@@H]1CCCN(C)C1)C1CC([NH3+])C1 ZINC000669402959 487703815 /nfs/dbraw/zinc/70/38/15/487703815.db2.gz BZTLYTWTRKHWQF-HSOILSAZSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403190 487706252 /nfs/dbraw/zinc/70/62/52/487706252.db2.gz OIVNJJXMLQYDDI-GHMZBOCLSA-N 1 3 242.367 0.363 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CC(C)(C)[NH3+] ZINC000082772560 487729953 /nfs/dbraw/zinc/72/99/53/487729953.db2.gz UPZKKTIUQFUSNN-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000082772398 487731456 /nfs/dbraw/zinc/73/14/56/487731456.db2.gz CFMAJKZJIARGCS-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CCCC1)[N@H+](C)C1CC1 ZINC000226398894 487734485 /nfs/dbraw/zinc/73/44/85/487734485.db2.gz BJCZWBYPYKSZCO-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CCCC1)[N@@H+](C)C1CC1 ZINC000226398894 487734493 /nfs/dbraw/zinc/73/44/93/487734493.db2.gz BJCZWBYPYKSZCO-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000226399040 487734975 /nfs/dbraw/zinc/73/49/75/487734975.db2.gz ABJQLUIEUSCPPD-MWLCHTKSSA-N 1 3 225.336 0.337 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250582294 487735668 /nfs/dbraw/zinc/73/56/68/487735668.db2.gz GEOQCBJKXFMHQQ-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250635489 487737518 /nfs/dbraw/zinc/73/75/18/487737518.db2.gz SADCWKMZYUOLLO-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO CO[C@H](CN[C@@H](C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000668445002 487766603 /nfs/dbraw/zinc/76/66/03/487766603.db2.gz VEAABPVMXUIIHZ-YNEHKIRRSA-N 1 3 244.379 0.968 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000662965756 487774679 /nfs/dbraw/zinc/77/46/79/487774679.db2.gz NEPRDUFPRDXPLS-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC(=O)NCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000394821977 487809029 /nfs/dbraw/zinc/80/90/29/487809029.db2.gz UOLDORFCXIABNG-QWRGUYRKSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106388 487814793 /nfs/dbraw/zinc/81/47/93/487814793.db2.gz ZHYBRKKYFWNATC-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106388 487814797 /nfs/dbraw/zinc/81/47/97/487814797.db2.gz ZHYBRKKYFWNATC-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000234407406 487819219 /nfs/dbraw/zinc/81/92/19/487819219.db2.gz YOBJUTLXEMDLQB-WOPDTQHZSA-N 1 3 212.337 0.953 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000234407406 487819224 /nfs/dbraw/zinc/81/92/24/487819224.db2.gz YOBJUTLXEMDLQB-WOPDTQHZSA-N 1 3 212.337 0.953 20 0 BCADHO CC[C@@]1(CO)CCC[N@H+](CCCN)C1 ZINC000414752710 487821785 /nfs/dbraw/zinc/82/17/85/487821785.db2.gz CLTNPQTUPYSHPS-LLVKDONJSA-N 1 3 200.326 0.820 20 0 BCADHO CC[C@@]1(CO)CCC[N@@H+](CCCN)C1 ZINC000414752710 487821789 /nfs/dbraw/zinc/82/17/89/487821789.db2.gz CLTNPQTUPYSHPS-LLVKDONJSA-N 1 3 200.326 0.820 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000252599362 487827975 /nfs/dbraw/zinc/82/79/75/487827975.db2.gz KRZNIQOLKGCAMM-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000494675836 528499466 /nfs/dbraw/zinc/49/94/66/528499466.db2.gz WODLEYTUKVXNSW-IJLUTSLNSA-N 1 3 241.379 0.959 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747943 487851993 /nfs/dbraw/zinc/85/19/93/487851993.db2.gz OIZXCGDLWPIHQK-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681790968 487863750 /nfs/dbraw/zinc/86/37/50/487863750.db2.gz UNDDUCUILUTHOG-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000224907615 487868899 /nfs/dbraw/zinc/86/88/99/487868899.db2.gz YHRGXKDFFOLXKL-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000224907615 487868905 /nfs/dbraw/zinc/86/89/05/487868905.db2.gz YHRGXKDFFOLXKL-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H](C)C[NH3+])CCN1 ZINC000309369666 487875757 /nfs/dbraw/zinc/87/57/57/487875757.db2.gz BULCQTKRWQNNBY-VHSXEESVSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@H](C[NH3+])CNCc1ccccc1-n1cncn1 ZINC000666825489 487887222 /nfs/dbraw/zinc/88/72/22/487887222.db2.gz QHFHKFNRXGTRFW-LLVKDONJSA-N 1 3 245.330 0.952 20 0 BCADHO C[N@H+](C[C@H](O)CN1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779207 487907725 /nfs/dbraw/zinc/90/77/25/487907725.db2.gz HNASVXNAPMUFOP-LOWVWBTDSA-N 1 3 240.347 0.020 20 0 BCADHO C[N@@H+](C[C@H](O)CN1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779207 487907728 /nfs/dbraw/zinc/90/77/28/487907728.db2.gz HNASVXNAPMUFOP-LOWVWBTDSA-N 1 3 240.347 0.020 20 0 BCADHO CC(C)C[C@H]([NH3+])CNC[C@@H]1C[C@H](F)CN1 ZINC000666948184 487912388 /nfs/dbraw/zinc/91/23/88/487912388.db2.gz UEBIQPFTMMYJKX-DCAQKATOSA-N 1 3 217.332 0.649 20 0 BCADHO COC[C@@H](C)C[NH2+][C@H]1CCNC1(C)C ZINC000666966093 487919768 /nfs/dbraw/zinc/91/97/68/487919768.db2.gz KPYXYSQSIVWPSS-UWVGGRQHSA-N 1 3 200.326 0.999 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCNC1(C)C ZINC000666966092 487919881 /nfs/dbraw/zinc/91/98/81/487919881.db2.gz KPYXYSQSIVWPSS-NXEZZACHSA-N 1 3 200.326 0.999 20 0 BCADHO FC1(F)C[C@]12CCN(CCN1CC[NH2+]CC1)C2 ZINC000652364513 487934458 /nfs/dbraw/zinc/93/44/58/487934458.db2.gz WGLILBUMTNGNQK-NSHDSACASA-N 1 3 245.317 0.623 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)CC[NH2+]1 ZINC000566253062 322979966 /nfs/dbraw/zinc/97/99/66/322979966.db2.gz YGLIDZXBQLIJKX-AXFHLTTASA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1C[C@H](C)N(CCn2cncn2)C[C@H]1C[NH3+] ZINC000397479751 323017737 /nfs/dbraw/zinc/01/77/37/323017737.db2.gz LLDICWZQRXVMEI-GRYCIOLGSA-N 1 3 237.351 0.583 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CC[NH3+] ZINC000566853723 323019189 /nfs/dbraw/zinc/01/91/89/323019189.db2.gz RYWYSAVSDYUVJJ-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000572603565 323039647 /nfs/dbraw/zinc/03/96/47/323039647.db2.gz LMSMEHPDUXWKLR-QMMMGPOBSA-N 1 3 207.277 0.692 20 0 BCADHO [NH3+]C1(CNC(=O)C[C@H]2CSCCN2)CCC1 ZINC000569842644 323042594 /nfs/dbraw/zinc/04/25/94/323042594.db2.gz WYZCXBFTFQUEFG-VIFPVBQESA-N 1 3 243.376 0.079 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000570334706 323056361 /nfs/dbraw/zinc/05/63/61/323056361.db2.gz WROYSJMTZCYKNE-DMDPSCGWSA-N 1 3 249.358 0.971 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CC[C@@H](C)C1 ZINC000570685969 323067217 /nfs/dbraw/zinc/06/72/17/323067217.db2.gz BUUFZTHEPRJPHS-ZJUUUORDSA-N 1 3 213.325 0.039 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CC[C@H](C)C1 ZINC000570685968 323067281 /nfs/dbraw/zinc/06/72/81/323067281.db2.gz BUUFZTHEPRJPHS-VHSXEESVSA-N 1 3 213.325 0.039 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000570716980 323068413 /nfs/dbraw/zinc/06/84/13/323068413.db2.gz ZHOWSGGPUIIKRU-LLVKDONJSA-N 1 3 221.304 0.412 20 0 BCADHO [NH3+]CC[C@@H](NC(=O)CNC1CC1)C(F)(F)F ZINC000562980492 323077826 /nfs/dbraw/zinc/07/78/26/323077826.db2.gz FUHPRQWJQIACDH-SSDOTTSWSA-N 1 3 239.241 0.134 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000562981445 323077931 /nfs/dbraw/zinc/07/79/31/323077931.db2.gz LYIFCZNSGCMAIH-GMTAPVOTSA-N 1 3 227.352 0.380 20 0 BCADHO CN1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000563037253 323080989 /nfs/dbraw/zinc/08/09/89/323080989.db2.gz ZHDPEPDMAFUABK-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CC[NH2+]CCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000518775789 323081532 /nfs/dbraw/zinc/08/15/32/323081532.db2.gz VRPIJSJJAWHRKQ-TXEJJXNPSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000309265519 323081944 /nfs/dbraw/zinc/08/19/44/323081944.db2.gz CAQZMSANJVSYAK-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000040490582 323089945 /nfs/dbraw/zinc/08/99/45/323089945.db2.gz XNDBNJDIBYVZHK-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000040490582 323089946 /nfs/dbraw/zinc/08/99/46/323089946.db2.gz XNDBNJDIBYVZHK-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO N[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000563101868 323092384 /nfs/dbraw/zinc/09/23/84/323092384.db2.gz QZOFVCXROJCQQW-QWHCGFSZSA-N 1 3 247.342 0.506 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000563100188 323092417 /nfs/dbraw/zinc/09/24/17/323092417.db2.gz UDITVOMDGMPZGL-ZYHUDNBSSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000563108935 323092922 /nfs/dbraw/zinc/09/29/22/323092922.db2.gz QZBPYAQKJKSJEG-SKDRFNHKSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000563109725 323092940 /nfs/dbraw/zinc/09/29/40/323092940.db2.gz KXGGNGCBFNLNNE-KOLCDFICSA-N 1 3 221.304 0.192 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000563119134 323093902 /nfs/dbraw/zinc/09/39/02/323093902.db2.gz LEXPSAZYQZWAIX-YPMHNXCESA-N 1 3 247.342 0.727 20 0 BCADHO CN(C)CCN(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000570959670 323101674 /nfs/dbraw/zinc/10/16/74/323101674.db2.gz CYBDRQHRIIYOMC-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1C[C@@H](C)N(C(=O)CNC2CC2)C[C@H]1C[NH3+] ZINC000571037695 323104369 /nfs/dbraw/zinc/10/43/69/323104369.db2.gz IBZIGLVKOBLUHH-GMTAPVOTSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](CC(=O)N(C)C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531729197 323111671 /nfs/dbraw/zinc/11/16/71/323111671.db2.gz NDLJHFNSMMEGLF-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](CC(=O)N(C)C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531729197 323111672 /nfs/dbraw/zinc/11/16/72/323111672.db2.gz NDLJHFNSMMEGLF-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563412355 323124794 /nfs/dbraw/zinc/12/47/94/323124794.db2.gz QGORHMDPAQGKIX-DCAQKATOSA-N 1 3 227.352 0.476 20 0 BCADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1=O ZINC000563635614 323133210 /nfs/dbraw/zinc/13/32/10/323133210.db2.gz LBZWURHMUADQFJ-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](N)C2)CC1=O ZINC000563635631 323133213 /nfs/dbraw/zinc/13/32/13/323133213.db2.gz LBZWURHMUADQFJ-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH2+]CCCNC(=O)NC[C@H](C)N(C)C ZINC000571303772 323140930 /nfs/dbraw/zinc/14/09/30/323140930.db2.gz SRVYGXGYVKWRLB-JTQLQIEISA-N 1 3 230.356 0.235 20 0 BCADHO COC[C@@H](C)[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000571443581 323145046 /nfs/dbraw/zinc/14/50/46/323145046.db2.gz YLXFOGLXFQIXHM-NEPJUHHUSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@@H](C)[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000571443581 323145047 /nfs/dbraw/zinc/14/50/47/323145047.db2.gz YLXFOGLXFQIXHM-NEPJUHHUSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@@H](C)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571443581 323145048 /nfs/dbraw/zinc/14/50/48/323145048.db2.gz YLXFOGLXFQIXHM-NEPJUHHUSA-N 1 3 242.363 0.709 20 0 BCADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000571539640 323147693 /nfs/dbraw/zinc/14/76/93/323147693.db2.gz ZAYKYKOXNKMLGY-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(OC)CC1 ZINC000563816354 323179064 /nfs/dbraw/zinc/17/90/64/323179064.db2.gz LKCDJCXCJGHVTN-LLVKDONJSA-N 1 3 216.325 0.068 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000399238198 323201291 /nfs/dbraw/zinc/20/12/91/323201291.db2.gz SHNIXUCYNYNAKO-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CCN1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530181418 323205553 /nfs/dbraw/zinc/20/55/53/323205553.db2.gz JSCGXTYKRZNMCL-LBPRGKRZSA-N 1 3 227.352 0.049 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2COCCN2)CC1 ZINC000530181418 323205554 /nfs/dbraw/zinc/20/55/54/323205554.db2.gz JSCGXTYKRZNMCL-LBPRGKRZSA-N 1 3 227.352 0.049 20 0 BCADHO CC[C@H](C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000104533135 323275595 /nfs/dbraw/zinc/27/55/95/323275595.db2.gz IVABTLGVBZTLET-LBPRGKRZSA-N 1 3 243.395 0.984 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000309515505 323421868 /nfs/dbraw/zinc/42/18/68/323421868.db2.gz YMRZONWTFFTBPV-ZJUUUORDSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC(=O)N1 ZINC000571820416 323487106 /nfs/dbraw/zinc/48/71/06/323487106.db2.gz CJKNGIIIBYPJQE-JFGNBEQYSA-N 1 3 225.336 0.515 20 0 BCADHO CC1(CNC(=O)[C@@H](N)CC(F)F)CC[NH2+]CC1 ZINC000572000139 323520444 /nfs/dbraw/zinc/52/04/44/323520444.db2.gz NLYUKBFKBYEETH-QMMMGPOBSA-N 1 3 249.305 0.475 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000572122231 323543451 /nfs/dbraw/zinc/54/34/51/323543451.db2.gz WKRGGXWKJYIHDQ-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000572240367 323577534 /nfs/dbraw/zinc/57/75/34/323577534.db2.gz DOWBVVPLUNFELD-CMPLNLGQSA-N 1 3 237.347 0.291 20 0 BCADHO CCCN(C)CC(=O)N(C)CCC[NH+](C)C ZINC000537214679 324038382 /nfs/dbraw/zinc/03/83/82/324038382.db2.gz QMXYUEQWIPGYFB-UHFFFAOYSA-N 1 3 229.368 0.738 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H](C)N1 ZINC000131848110 324081848 /nfs/dbraw/zinc/08/18/48/324081848.db2.gz UBBOJDAZXFOGOS-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO COCCOCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397338432 324213030 /nfs/dbraw/zinc/21/30/30/324213030.db2.gz ZEDIGUHTEZIZBC-AGIUHOORSA-N 1 3 244.379 0.955 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124305754 324613563 /nfs/dbraw/zinc/61/35/63/324613563.db2.gz WLTYLKIQFYCTJX-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO CCCN1CC[C@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000083913539 487965527 /nfs/dbraw/zinc/96/55/27/487965527.db2.gz YIDIZSUUUFLUHJ-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH2+]CC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000071196431 325060098 /nfs/dbraw/zinc/06/00/98/325060098.db2.gz CVSZWIVCDJXECL-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000131924137 325190967 /nfs/dbraw/zinc/19/09/67/325190967.db2.gz LNDHMYNZXRPDNJ-GMTAPVOTSA-N 1 3 225.336 0.372 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000564327714 325382854 /nfs/dbraw/zinc/38/28/54/325382854.db2.gz AMNSGPKHYBJIMQ-ZJUUUORDSA-N 1 3 247.408 0.701 20 0 BCADHO CC[NH2+]CCCNC(=O)C[C@@H]1CSCCN1 ZINC000564328714 325386808 /nfs/dbraw/zinc/38/68/08/325386808.db2.gz QQIAEYCQRDZBRK-SNVBAGLBSA-N 1 3 245.392 0.197 20 0 BCADHO CN(C(=O)CNC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000565479926 325917067 /nfs/dbraw/zinc/91/70/67/325917067.db2.gz CVBQKOWKRTVFJC-FOSCPWQOSA-N 1 3 237.347 0.480 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000565714292 325947319 /nfs/dbraw/zinc/94/73/19/325947319.db2.gz ICHNIEPDBIGHRD-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH3+] ZINC000566195158 326010848 /nfs/dbraw/zinc/01/08/48/326010848.db2.gz BLXNXWXBPCRUME-SNVBAGLBSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000566197545 326011364 /nfs/dbraw/zinc/01/13/64/326011364.db2.gz ICHNIEPDBIGHRD-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)(N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000566201461 326012097 /nfs/dbraw/zinc/01/20/97/326012097.db2.gz BYIKXSIPRLOARV-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000566207626 326013882 /nfs/dbraw/zinc/01/38/82/326013882.db2.gz FHSKYVFKPNVNPY-GUBZILKMSA-N 1 3 245.392 0.263 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566252112 326024902 /nfs/dbraw/zinc/02/49/02/326024902.db2.gz GQHVVPSWWVCJHG-GRYCIOLGSA-N 1 3 237.347 0.196 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566471368 326052537 /nfs/dbraw/zinc/05/25/37/326052537.db2.gz UQURENSWUQOONG-CMPLNLGQSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@H](C)N1 ZINC000566551355 326063105 /nfs/dbraw/zinc/06/31/05/326063105.db2.gz SDTXZBDBVUIIOO-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO NC1(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCC1 ZINC000566972771 326098371 /nfs/dbraw/zinc/09/83/71/326098371.db2.gz YMRSUYRLWDOLBG-XYPYZODXSA-N 1 3 239.363 0.749 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404880395 326102080 /nfs/dbraw/zinc/10/20/80/326102080.db2.gz JDESXNBBZXPWAF-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)CC[NH2+]1 ZINC000567047544 326105981 /nfs/dbraw/zinc/10/59/81/326105981.db2.gz IZPJJOVGFGTQJV-FSDSQADBSA-N 1 3 239.241 0.133 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000567275530 326154790 /nfs/dbraw/zinc/15/47/90/326154790.db2.gz PCYMLEPBLIOMRM-ZNSHCXBVSA-N 1 3 237.347 0.465 20 0 BCADHO C[NH2+]CCC(=O)N1CCc2ccccc2[C@H]1CN ZINC000567353618 326172479 /nfs/dbraw/zinc/17/24/79/326172479.db2.gz BKERZOAJIMCYPC-CYBMUJFWSA-N 1 3 247.342 0.681 20 0 BCADHO CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)N(C)C ZINC000155005123 326178640 /nfs/dbraw/zinc/17/86/40/326178640.db2.gz SSHNFPNRUDEHON-SNVBAGLBSA-N 1 3 229.368 0.783 20 0 BCADHO CSC[C@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000567378086 326178988 /nfs/dbraw/zinc/17/89/88/326178988.db2.gz OPDXFIPZHYGSTJ-VHSXEESVSA-N 1 3 220.382 0.640 20 0 BCADHO COC[C@@H](C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000310250755 326188012 /nfs/dbraw/zinc/18/80/12/326188012.db2.gz NZJXIZZAWVUTME-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO COC[C@@H](C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000310250755 326188015 /nfs/dbraw/zinc/18/80/15/326188015.db2.gz NZJXIZZAWVUTME-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000567673229 326242715 /nfs/dbraw/zinc/24/27/15/326242715.db2.gz HVZWPIKUBGHEHQ-BDAKNGLRSA-N 1 3 211.309 0.111 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813504 326261872 /nfs/dbraw/zinc/26/18/72/326261872.db2.gz FFAHTYCPGVKETN-SRVKXCTJSA-N 1 3 239.363 0.572 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000568050857 326300754 /nfs/dbraw/zinc/30/07/54/326300754.db2.gz JTCFBRMOEVCEHP-NWDGAFQWSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000568050857 326300755 /nfs/dbraw/zinc/30/07/55/326300755.db2.gz JTCFBRMOEVCEHP-NWDGAFQWSA-N 1 3 214.353 0.935 20 0 BCADHO N[C@@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000163273291 326310262 /nfs/dbraw/zinc/31/02/62/326310262.db2.gz HMUKTTAFJGKXSQ-RYUDHWBXSA-N 1 3 233.315 0.555 20 0 BCADHO C[NH2+]CCNC(=O)C[C@H](N)c1ccccc1 ZINC000163275051 326311393 /nfs/dbraw/zinc/31/13/93/326311393.db2.gz QZDRNUOGSFKSML-NSHDSACASA-N 1 3 221.304 0.412 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C1 ZINC000568248188 326334225 /nfs/dbraw/zinc/33/42/25/326334225.db2.gz JVNVFZWPBSUTCC-LOWDOPEQSA-N 1 3 242.363 0.491 20 0 BCADHO CCN1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)CC1=O ZINC000568499515 326359825 /nfs/dbraw/zinc/35/98/25/326359825.db2.gz KKJXHBNNHPUOGS-IJLUTSLNSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H]1CN(C)CCN1C[C@@H](O)C[N@H+](C)CC ZINC000568527089 326363260 /nfs/dbraw/zinc/36/32/60/326363260.db2.gz KWAVDRFAYPRMIK-OLZOCXBDSA-N 1 3 243.395 0.325 20 0 BCADHO CC[C@@H]1CN(C)CCN1C[C@@H](O)C[N@@H+](C)CC ZINC000568527089 326363261 /nfs/dbraw/zinc/36/32/61/326363261.db2.gz KWAVDRFAYPRMIK-OLZOCXBDSA-N 1 3 243.395 0.325 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000568621817 326368175 /nfs/dbraw/zinc/36/81/75/326368175.db2.gz LBSIISGNQQVREC-WCQYABFASA-N 1 3 242.363 0.624 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](N)c1ccccc1 ZINC000568738228 326374082 /nfs/dbraw/zinc/37/40/82/326374082.db2.gz ZJRJDWJEOPUNIE-CYZMBNFOSA-N 1 3 247.342 0.801 20 0 BCADHO COC[C@H](O)CNC[C@H](C)C[NH+]1CCCCC1 ZINC000568975949 326384229 /nfs/dbraw/zinc/38/42/29/326384229.db2.gz MUCIAFAOESZWBV-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000568975949 326384230 /nfs/dbraw/zinc/38/42/30/326384230.db2.gz MUCIAFAOESZWBV-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569117293 326391419 /nfs/dbraw/zinc/39/14/19/326391419.db2.gz FFAHTYCPGVKETN-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](C)NC2CC2)CC1 ZINC000569118136 326391465 /nfs/dbraw/zinc/39/14/65/326391465.db2.gz WTFNPDAUEQQEHQ-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CC2(F)CC2)C1 ZINC000569243781 326397366 /nfs/dbraw/zinc/39/73/66/326397366.db2.gz NBXVIIVOHKSLFY-SNVBAGLBSA-N 1 3 243.326 0.275 20 0 BCADHO C[C@H](NC(=O)[C@H](N)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000572959582 326421022 /nfs/dbraw/zinc/42/10/22/326421022.db2.gz YBBRWMBNBNXBML-ZMLRMANQSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCNCC1(C)C ZINC000309475682 487973423 /nfs/dbraw/zinc/97/34/23/487973423.db2.gz RYDMMXMHDIEZHZ-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446402788 487980292 /nfs/dbraw/zinc/98/02/92/487980292.db2.gz NGVPZNSMJYFIFJ-IVZWLZJFSA-N 1 3 227.352 0.746 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418202270 487982538 /nfs/dbraw/zinc/98/25/38/487982538.db2.gz IUKVZHZPACLANT-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000229963148 488015089 /nfs/dbraw/zinc/01/50/89/488015089.db2.gz PMLPREZNXTZJHF-MXWKQRLJSA-N 1 3 200.326 0.864 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)CO ZINC000643475012 488016101 /nfs/dbraw/zinc/01/61/01/488016101.db2.gz OGUSNISNYOGNDR-MNOVXSKESA-N 1 3 214.353 0.983 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)CO ZINC000643475012 488016104 /nfs/dbraw/zinc/01/61/04/488016104.db2.gz OGUSNISNYOGNDR-MNOVXSKESA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197702 488034322 /nfs/dbraw/zinc/03/43/22/488034322.db2.gz RUBGLOXOLQIUQZ-GRYCIOLGSA-N 1 3 230.352 0.000 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197702 488034326 /nfs/dbraw/zinc/03/43/26/488034326.db2.gz RUBGLOXOLQIUQZ-GRYCIOLGSA-N 1 3 230.352 0.000 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)CC(C)(C)[NH3+] ZINC000084186787 488035764 /nfs/dbraw/zinc/03/57/64/488035764.db2.gz OGEIJQLDGAFRMS-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@]1(F)CNCCN(C[C@]23C[C@H]2C[NH2+]C3)C1 ZINC000663495025 488044763 /nfs/dbraw/zinc/04/47/63/488044763.db2.gz UCPZLOFRGNLPHH-SDDRHHMPSA-N 1 3 227.327 0.229 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NCc1nc2c(s1)CNCC2 ZINC000663500015 488049504 /nfs/dbraw/zinc/04/95/04/488049504.db2.gz YDHRHLUIYXKKBA-HTQZYQBOSA-N 1 3 240.376 0.614 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCNC2=O)C1 ZINC000656200906 488067916 /nfs/dbraw/zinc/06/79/16/488067916.db2.gz YIGINSCMARBBCU-HBNTYKKESA-N 1 3 225.336 0.372 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000044538850 488071181 /nfs/dbraw/zinc/07/11/81/488071181.db2.gz BYXRZXVFZCJYNV-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO O[C@H](C[NH2+]CCOCC1CC1)CN1CCCC1 ZINC000236558986 488071276 /nfs/dbraw/zinc/07/12/76/488071276.db2.gz ZKSQVALUILVZQZ-CYBMUJFWSA-N 1 3 242.363 0.459 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000389138955 488079817 /nfs/dbraw/zinc/07/98/17/488079817.db2.gz GNLACGJSRWLMAL-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000389169808 488080121 /nfs/dbraw/zinc/08/01/21/488080121.db2.gz NNACNANAMJMRME-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO OCC[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000389481901 488098511 /nfs/dbraw/zinc/09/85/11/488098511.db2.gz HDKJLGAUJWLBNT-NWDGAFQWSA-N 1 3 212.337 0.833 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000389661824 488104515 /nfs/dbraw/zinc/10/45/15/488104515.db2.gz RYARRDAZJMHPPR-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN1CC[C@H](NC(=O)C2([NH3+])CCCC2)C1 ZINC000389649397 488104482 /nfs/dbraw/zinc/10/44/82/488104482.db2.gz NOWMJNYJBNNQBP-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000389690323 488105755 /nfs/dbraw/zinc/10/57/55/488105755.db2.gz ZUSIGONXOHUYAW-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO NC(C(=O)NC[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000669509569 488109939 /nfs/dbraw/zinc/10/99/39/488109939.db2.gz CDBSSZDOEIVXTA-BQBZGAKWSA-N 1 3 239.241 0.134 20 0 BCADHO NC(C(=O)NC[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000669509571 488110163 /nfs/dbraw/zinc/11/01/63/488110163.db2.gz CDBSSZDOEIVXTA-RNFRBKRXSA-N 1 3 239.241 0.134 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1ccnn1C ZINC000230775532 488110415 /nfs/dbraw/zinc/11/04/15/488110415.db2.gz BOXPYVJGXXTONR-MNOVXSKESA-N 1 3 222.336 0.632 20 0 BCADHO O=C(CC[NH2+]C1CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000044726835 488111607 /nfs/dbraw/zinc/11/16/07/488111607.db2.gz XRWJXBFTPFXGTO-LLVKDONJSA-N 1 3 237.347 0.481 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000669512529 488118741 /nfs/dbraw/zinc/11/87/41/488118741.db2.gz UBVWVKCQWUTREC-GRYCIOLGSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000669512442 488119056 /nfs/dbraw/zinc/11/90/56/488119056.db2.gz VOBGOPYMYZEHPT-MFKMUULPSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000669512846 488119632 /nfs/dbraw/zinc/11/96/32/488119632.db2.gz AYGLEKYNXACMLN-SNVBAGLBSA-N 1 3 247.342 0.194 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514682 488124107 /nfs/dbraw/zinc/12/41/07/488124107.db2.gz ZJERVRMOEIFZEU-GHMZBOCLSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000669516185 488125790 /nfs/dbraw/zinc/12/57/90/488125790.db2.gz WVMZAZNGJPUKLO-BJDJZHNGSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2([NH3+])CCC2)[C@@H]1C ZINC000669516821 488126756 /nfs/dbraw/zinc/12/67/56/488126756.db2.gz HCNVSAIQWJHPDO-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000669517732 488129323 /nfs/dbraw/zinc/12/93/23/488129323.db2.gz HJNNTAWHSUSNCI-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309744103 487540598 /nfs/dbraw/zinc/54/05/98/487540598.db2.gz FBGLRFFCJWDAEQ-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]1CCC[N@H+](CCCN)[C@@H]1CCO ZINC000662302278 487546703 /nfs/dbraw/zinc/54/67/03/487546703.db2.gz LRNALSWOWCSAHE-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H]1CCC[N@@H+](CCCN)[C@@H]1CCO ZINC000662302278 487546714 /nfs/dbraw/zinc/54/67/14/487546714.db2.gz LRNALSWOWCSAHE-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H]1CCCN(CCC[NH3+])[C@@H]1CCO ZINC000662302278 487546722 /nfs/dbraw/zinc/54/67/22/487546722.db2.gz LRNALSWOWCSAHE-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO NC[C@@H](C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000238024457 487551377 /nfs/dbraw/zinc/55/13/77/487551377.db2.gz MNLHOZVSHWZTDX-CYBMUJFWSA-N 1 3 247.342 0.597 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227153321 487556114 /nfs/dbraw/zinc/55/61/14/487556114.db2.gz VTGTYPJGAXWSJR-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227153321 487556123 /nfs/dbraw/zinc/55/61/23/487556123.db2.gz VTGTYPJGAXWSJR-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CC(C)C ZINC000669520223 488139133 /nfs/dbraw/zinc/13/91/33/488139133.db2.gz BZQFCXNTWXDWDE-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H](CNC(=O)CC(C)(C)[NH3+])N1CCCC1 ZINC000161047341 487474111 /nfs/dbraw/zinc/47/41/11/487474111.db2.gz GBWIXMDBFILIKU-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000391496144 487481602 /nfs/dbraw/zinc/48/16/02/487481602.db2.gz GXOXIUAVCRINLE-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000144673267 487497133 /nfs/dbraw/zinc/49/71/33/487497133.db2.gz SBKLSHBXDRZFQL-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO COC[C@H](CN1CC[C@H]([C@H](C)[NH3+])C1)OC ZINC000662266624 487503358 /nfs/dbraw/zinc/50/33/58/487503358.db2.gz NREQEQKXPSXYIA-DCAQKATOSA-N 1 3 216.325 0.317 20 0 BCADHO C[C@H]([NH3+])CNC(=O)NCCN1CCC(C)CC1 ZINC000669303697 487507637 /nfs/dbraw/zinc/50/76/37/487507637.db2.gz GZNMFRROCXYEQI-NSHDSACASA-N 1 3 242.367 0.365 20 0 BCADHO CCN1CC[C@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662273671 487522009 /nfs/dbraw/zinc/52/20/09/487522009.db2.gz XRBRCSCJBAGQJD-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO CN(C[C@H]1CCC2(CNC2)O1)C1(C[NH3+])CCC1 ZINC000662274101 487522601 /nfs/dbraw/zinc/52/26/01/487522601.db2.gz REYKAOPOEKSAST-LLVKDONJSA-N 1 3 239.363 0.321 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](N)CC(C)C)C1CC1 ZINC000167204435 488146176 /nfs/dbraw/zinc/14/61/76/488146176.db2.gz XXOIOPJVAMFQLY-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](N)CC(C)C)C1CC1 ZINC000167204435 488146181 /nfs/dbraw/zinc/14/61/81/488146181.db2.gz XXOIOPJVAMFQLY-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000669524650 488164828 /nfs/dbraw/zinc/16/48/28/488164828.db2.gz NSVFLLLKXVILCQ-AEJSXWLSSA-N 1 3 240.351 0.258 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000162049921 487534742 /nfs/dbraw/zinc/53/47/42/487534742.db2.gz ZMIHDILHYZNGMA-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)[NH2+]C ZINC000655448107 488036848 /nfs/dbraw/zinc/03/68/48/488036848.db2.gz BSNYNONAMKOODX-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000389434566 488096197 /nfs/dbraw/zinc/09/61/97/488096197.db2.gz ZMGAWGQPKAKBNF-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCSC[C@@H](C)C1 ZINC000379446572 488137446 /nfs/dbraw/zinc/13/74/46/488137446.db2.gz XSPOOWFQSPHWEG-RYUDHWBXSA-N 1 3 246.420 0.984 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCSC[C@@H](C)C1 ZINC000379446572 488137449 /nfs/dbraw/zinc/13/74/49/488137449.db2.gz XSPOOWFQSPHWEG-RYUDHWBXSA-N 1 3 246.420 0.984 20 0 BCADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1CNCCO1 ZINC000258991485 488145686 /nfs/dbraw/zinc/14/56/86/488145686.db2.gz VPAOGBOAOZFPGN-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CNCCO1 ZINC000258991485 488145689 /nfs/dbraw/zinc/14/56/89/488145689.db2.gz VPAOGBOAOZFPGN-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO C[C@H]1CCN(CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000230775654 488156786 /nfs/dbraw/zinc/15/67/86/488156786.db2.gz UZTIIHPDGZEECP-RYUDHWBXSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCc2ccnn2C)C1 ZINC000230775576 488156960 /nfs/dbraw/zinc/15/69/60/488156960.db2.gz FZHIHBBOYKWGGQ-QWRGUYRKSA-N 1 3 222.336 0.632 20 0 BCADHO CCn1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000404432628 488160251 /nfs/dbraw/zinc/16/02/51/488160251.db2.gz AAEJBTZMYGISTJ-QJPTWQEYSA-N 1 3 249.362 0.776 20 0 BCADHO CN1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000380124610 488175328 /nfs/dbraw/zinc/17/53/28/488175328.db2.gz VHJKRDJWJAFRRL-LPEHRKFASA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](CN)[N@H+](C)CCCc1cncn1C ZINC000314698771 490092121 /nfs/dbraw/zinc/09/21/21/490092121.db2.gz DCAQFJNRENQTQS-JTQLQIEISA-N 1 3 210.325 0.632 20 0 BCADHO C[C@@H](CN)[N@@H+](C)CCCc1cncn1C ZINC000314698771 490092123 /nfs/dbraw/zinc/09/21/23/490092123.db2.gz DCAQFJNRENQTQS-JTQLQIEISA-N 1 3 210.325 0.632 20 0 BCADHO C[C@@H](C[NH3+])N(C)CCCc1cncn1C ZINC000314698771 490092124 /nfs/dbraw/zinc/09/21/24/490092124.db2.gz DCAQFJNRENQTQS-JTQLQIEISA-N 1 3 210.325 0.632 20 0 BCADHO OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000070913724 490248801 /nfs/dbraw/zinc/24/88/01/490248801.db2.gz NHNPUTPCEBZWDI-UHFFFAOYSA-N 1 3 221.304 0.586 20 0 BCADHO C[NH2+]CCCN1CCN(CC(C)C)CC1 ZINC000055075709 491086367 /nfs/dbraw/zinc/08/63/67/491086367.db2.gz MNDSCYIBTONOBC-UHFFFAOYSA-N 1 3 213.369 0.870 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000662823598 491115647 /nfs/dbraw/zinc/11/56/47/491115647.db2.gz UDCDQGHGSKKZCD-IUCAKERBSA-N 1 3 201.314 0.226 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559742 491128807 /nfs/dbraw/zinc/12/88/07/491128807.db2.gz ZHNUNLVBNOJWMU-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C1CCN(C)CC1 ZINC000666184249 491131835 /nfs/dbraw/zinc/13/18/35/491131835.db2.gz AYTFDHNTCOOMMT-KGYLQXTDSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)/C=C\C[NH+](C)C ZINC000492927494 533727265 /nfs/dbraw/zinc/72/72/65/533727265.db2.gz WSZSIZCKJBSUMO-GFVADAIESA-N 1 3 213.325 0.171 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810075 535680368 /nfs/dbraw/zinc/68/03/68/535680368.db2.gz BOLWRWIITSUELP-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810075 535680373 /nfs/dbraw/zinc/68/03/73/535680373.db2.gz BOLWRWIITSUELP-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261541102 535759270 /nfs/dbraw/zinc/75/92/70/535759270.db2.gz FNDPLQUSUJXMLY-QXEWZRGKSA-N 1 3 213.325 0.452 20 0 BCADHO CC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084222807 535858223 /nfs/dbraw/zinc/85/82/23/535858223.db2.gz KOFRGVZLRBKJRO-MXWKQRLJSA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000261546023 536138744 /nfs/dbraw/zinc/13/87/44/536138744.db2.gz KOROXIAVZOAAGT-GUBZILKMSA-N 1 3 213.325 0.452 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000494704791 534302861 /nfs/dbraw/zinc/30/28/61/534302861.db2.gz UCMIIZAYEIIDEK-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000335658637 536448530 /nfs/dbraw/zinc/44/85/30/536448530.db2.gz AAPKITKLKQOXCC-MNOVXSKESA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000335658637 536448531 /nfs/dbraw/zinc/44/85/31/536448531.db2.gz AAPKITKLKQOXCC-MNOVXSKESA-N 1 3 237.347 0.291 20 0 BCADHO CCN1CC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493062123 527837046 /nfs/dbraw/zinc/83/70/46/527837046.db2.gz ZKWIPNPDBRIZDV-GZTOBOFZSA-N 1 3 225.336 0.315 20 0 BCADHO CCN1CC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493062132 527837502 /nfs/dbraw/zinc/83/75/02/527837502.db2.gz ZKWIPNPDBRIZDV-QRGHLMKCSA-N 1 3 225.336 0.315 20 0 BCADHO COCCOCCN[C@@](C)(C[NH3+])C1CC1 ZINC000261567784 536515322 /nfs/dbraw/zinc/51/53/22/536515322.db2.gz FCDCNMVXQIQZGQ-NSHDSACASA-N 1 3 216.325 0.366 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000484693703 528355757 /nfs/dbraw/zinc/35/57/57/528355757.db2.gz HWMLFGWYIYLFQT-WOPDTQHZSA-N 1 3 241.379 0.768 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568528 582915407 /nfs/dbraw/zinc/91/54/07/582915407.db2.gz VOBARFZEAFFASN-VLEAKVRGSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N)C1 ZINC000168721594 535131816 /nfs/dbraw/zinc/13/18/16/535131816.db2.gz CLLDMTVQIPSRJG-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N)C1 ZINC000168721594 535131821 /nfs/dbraw/zinc/13/18/21/535131821.db2.gz CLLDMTVQIPSRJG-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000262543959 535138104 /nfs/dbraw/zinc/13/81/04/535138104.db2.gz YNCVCFFLPPRNBW-QWRGUYRKSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)(N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334378566 535194639 /nfs/dbraw/zinc/19/46/39/535194639.db2.gz HHXBCPOJQIJZQM-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335319398 535194694 /nfs/dbraw/zinc/19/46/94/535194694.db2.gz CFEMFDMBZTXDAT-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)N1CC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000336200505 535244839 /nfs/dbraw/zinc/24/48/39/535244839.db2.gz NFMBUEWBPAMZGK-LBPRGKRZSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351754217 535316454 /nfs/dbraw/zinc/31/64/54/535316454.db2.gz IMEJNBYVFHPDPJ-VWYCJHECSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000261806447 535323845 /nfs/dbraw/zinc/32/38/45/535323845.db2.gz MFZBVDHPIVWYML-SDDRHHMPSA-N 1 3 241.379 0.768 20 0 BCADHO CC1(C)CN(C(=O)C[C@H]2CC[NH2+]C2)CCN1 ZINC000335596794 535334853 /nfs/dbraw/zinc/33/48/53/535334853.db2.gz BKGZAXDZJNMJJU-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(CC)CC ZINC000261925205 535417274 /nfs/dbraw/zinc/41/72/74/535417274.db2.gz JXPCGOXLPGZINK-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262572060 535487694 /nfs/dbraw/zinc/48/76/94/535487694.db2.gz BNPXAXRZAMCSBG-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000252440688 535564559 /nfs/dbraw/zinc/56/45/59/535564559.db2.gz KWHBKUNLCDOQQJ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000178826436 535596009 /nfs/dbraw/zinc/59/60/09/535596009.db2.gz APSLVNLQLQVKIE-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[C@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471786 535674055 /nfs/dbraw/zinc/67/40/55/535674055.db2.gz RRDBNGUAIGXKKJ-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251382505 535678791 /nfs/dbraw/zinc/67/87/91/535678791.db2.gz WIYLSNZGYAVMHG-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251382505 535678795 /nfs/dbraw/zinc/67/87/95/535678795.db2.gz WIYLSNZGYAVMHG-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351759484 535760466 /nfs/dbraw/zinc/76/04/66/535760466.db2.gz CZDRLDBUXHSZLY-FOGDFJRCSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342606389 535848324 /nfs/dbraw/zinc/84/83/24/535848324.db2.gz LOWUMPTZVVQZEC-DMDPSCGWSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591319 535950123 /nfs/dbraw/zinc/95/01/23/535950123.db2.gz TXSWSACESAVJGX-UWVGGRQHSA-N 1 3 229.368 0.803 20 0 BCADHO CN(C)Cc1cccc(C(=O)NCC2C[NH2+]C2)c1 ZINC000262049312 536025452 /nfs/dbraw/zinc/02/54/52/536025452.db2.gz VFNBNJDPSSVOER-UHFFFAOYSA-N 1 3 247.342 0.697 20 0 BCADHO CC[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261769426 536138231 /nfs/dbraw/zinc/13/82/31/536138231.db2.gz RGDIOSCHGFCDTN-ZDUSSCGKSA-N 1 3 249.358 0.754 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178407640 536138849 /nfs/dbraw/zinc/13/88/49/536138849.db2.gz KTOCGPZEHXOOQX-WPRPVWTQSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000261743714 536166681 /nfs/dbraw/zinc/16/66/81/536166681.db2.gz GSPXXSMGUOXOFC-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)N ZINC000261743714 536166687 /nfs/dbraw/zinc/16/66/87/536166687.db2.gz GSPXXSMGUOXOFC-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO CN(CCCO)C[C@@H]1CCC[N@H+](C)C1 ZINC000259156322 536357570 /nfs/dbraw/zinc/35/75/70/536357570.db2.gz XTZMDMULZCOMQG-LLVKDONJSA-N 1 3 200.326 0.642 20 0 BCADHO CN(CCCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000259156322 536357572 /nfs/dbraw/zinc/35/75/72/536357572.db2.gz XTZMDMULZCOMQG-LLVKDONJSA-N 1 3 200.326 0.642 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000258416256 536372562 /nfs/dbraw/zinc/37/25/62/536372562.db2.gz IZQHUBGGEJFXMT-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000261534176 536391224 /nfs/dbraw/zinc/39/12/24/536391224.db2.gz NYLCQAUHIAQXSK-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000226082717 536391199 /nfs/dbraw/zinc/39/11/99/536391199.db2.gz ZFUNWELBFSVSTP-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO C[N@@H+]1CCC[C@]2(CCN(CCCO)C2)C1 ZINC000335930952 536395501 /nfs/dbraw/zinc/39/55/01/536395501.db2.gz FLUHLULNQIZFEH-LBPRGKRZSA-N 1 3 212.337 0.787 20 0 BCADHO C[N@H+]1CCC[C@]2(CCN(CCCO)C2)C1 ZINC000335930952 536395503 /nfs/dbraw/zinc/39/55/03/536395503.db2.gz FLUHLULNQIZFEH-LBPRGKRZSA-N 1 3 212.337 0.787 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000178867121 536462759 /nfs/dbraw/zinc/46/27/59/536462759.db2.gz GXZMZFMCLFEAIP-DCAQKATOSA-N 1 3 239.363 0.583 20 0 BCADHO COC[C@H]1CN(CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261823225 536583230 /nfs/dbraw/zinc/58/32/30/536583230.db2.gz IOUGWVZZMCVUFG-WCQYABFASA-N 1 3 242.363 0.722 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H](CN)c1ccccc1 ZINC000289300090 566383669 /nfs/dbraw/zinc/38/36/69/566383669.db2.gz RZEYPEPDJJOOSS-KGYLQXTDSA-N 1 3 247.342 0.677 20 0 BCADHO CC(=O)OC[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000892947242 583015066 /nfs/dbraw/zinc/01/50/66/583015066.db2.gz ZZJKBSDDGKYXIP-CMPLNLGQSA-N 1 3 228.336 0.869 20 0 BCADHO CC(=O)OC[C@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000892947242 583015068 /nfs/dbraw/zinc/01/50/68/583015068.db2.gz ZZJKBSDDGKYXIP-CMPLNLGQSA-N 1 3 228.336 0.869 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000893888573 583243704 /nfs/dbraw/zinc/24/37/04/583243704.db2.gz KCDFASLAQIKBFM-QWHCGFSZSA-N 1 3 224.348 0.642 20 0 BCADHO CN1CCC(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000893888573 583243707 /nfs/dbraw/zinc/24/37/07/583243707.db2.gz KCDFASLAQIKBFM-QWHCGFSZSA-N 1 3 224.348 0.642 20 0 BCADHO COC(=O)N(C)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000854226551 588780446 /nfs/dbraw/zinc/78/04/46/588780446.db2.gz HICBHKHNJPTOAI-RKDXNWHRSA-N 1 3 217.313 0.400 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@H]1CCC[C@H]1N ZINC000854228315 588780959 /nfs/dbraw/zinc/78/09/59/588780959.db2.gz VANJCNZEEVNBBV-BDAKNGLRSA-N 1 3 215.297 0.154 20 0 BCADHO CC(C)NC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000112801278 588817199 /nfs/dbraw/zinc/81/71/99/588817199.db2.gz RSNXHFVXUAIZOL-MNOVXSKESA-N 1 3 240.351 0.372 20 0 BCADHO CCCNC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000112800783 588817410 /nfs/dbraw/zinc/81/74/10/588817410.db2.gz BNXLLKQYSSZWQB-JTQLQIEISA-N 1 3 212.341 0.995 20 0 BCADHO CCN1CCN(c2cc(C)[nH+]c(N)n2)[C@H](C)C1 ZINC000804798388 582559236 /nfs/dbraw/zinc/55/92/36/582559236.db2.gz UTYUNFXWWPNYIY-SNVBAGLBSA-N 1 3 235.335 0.898 20 0 BCADHO CC[N@@H+]1CCN(c2cc(C)nc(N)n2)[C@H](C)C1 ZINC000804798388 582559237 /nfs/dbraw/zinc/55/92/37/582559237.db2.gz UTYUNFXWWPNYIY-SNVBAGLBSA-N 1 3 235.335 0.898 20 0 BCADHO CC[N@H+]1CCN(c2cc(C)nc(N)n2)[C@H](C)C1 ZINC000804798388 582559239 /nfs/dbraw/zinc/55/92/39/582559239.db2.gz UTYUNFXWWPNYIY-SNVBAGLBSA-N 1 3 235.335 0.898 20 0 BCADHO CC(C)(N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226359 582803211 /nfs/dbraw/zinc/80/32/11/582803211.db2.gz XCUWAMHWYBLUBP-UHFFFAOYSA-N 1 3 239.294 0.638 20 0 BCADHO CC[C@H](CNC1=[NH+]C[C@H](C)N1)N1CCCC1 ZINC000848986418 582817269 /nfs/dbraw/zinc/81/72/69/582817269.db2.gz PWOMAOGOMOZNFV-WDEREUQCSA-N 1 3 224.352 0.798 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCCN1C ZINC000892274412 582824989 /nfs/dbraw/zinc/82/49/89/582824989.db2.gz QKVZAIHINBYQHR-GARJFASQSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000892568477 582915775 /nfs/dbraw/zinc/91/57/75/582915775.db2.gz UFIQUWKVKVZHSI-LMLFDSFASA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000892568476 582915833 /nfs/dbraw/zinc/91/58/33/582915833.db2.gz UFIQUWKVKVZHSI-GWOFURMSSA-N 1 3 240.351 0.116 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892614505 582930108 /nfs/dbraw/zinc/93/01/08/582930108.db2.gz QWBAFPOKXFTCOO-CMPLNLGQSA-N 1 3 228.336 0.869 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000394608490 582996723 /nfs/dbraw/zinc/99/67/23/582996723.db2.gz RBRVVGJTQAATFE-FRRDWIJNSA-N 1 3 242.363 0.600 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000394608490 582996727 /nfs/dbraw/zinc/99/67/27/582996727.db2.gz RBRVVGJTQAATFE-FRRDWIJNSA-N 1 3 242.363 0.600 20 0 BCADHO COc1ccc([C@H]2CNCCN2CCC[NH3+])cc1 ZINC000147045046 583154459 /nfs/dbraw/zinc/15/44/59/583154459.db2.gz CWZIWNDUTOUPEW-CQSZACIVSA-N 1 3 249.358 0.990 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000857107073 588888074 /nfs/dbraw/zinc/88/80/74/588888074.db2.gz KBGVJVUDQSPCRB-IVZWLZJFSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000877379753 583312311 /nfs/dbraw/zinc/31/23/11/583312311.db2.gz MAVLSZWWBWBOPS-GMXVVIOVSA-N 1 3 237.347 0.196 20 0 BCADHO CCNCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000841848977 583364492 /nfs/dbraw/zinc/36/44/92/583364492.db2.gz YWAVBXWGQBDWLR-LLVKDONJSA-N 1 3 227.352 0.620 20 0 BCADHO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC1CCN(C)CC1 ZINC000894253490 583393548 /nfs/dbraw/zinc/39/35/48/583393548.db2.gz KEUAHBPCGJZYEH-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC1CCN(C)CC1 ZINC000894253487 583393579 /nfs/dbraw/zinc/39/35/79/583393579.db2.gz KEUAHBPCGJZYEH-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO CNC(=O)CCCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141440 583474458 /nfs/dbraw/zinc/47/44/58/583474458.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)CCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880141440 583474461 /nfs/dbraw/zinc/47/44/61/583474461.db2.gz IMXODQIAWMGENI-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1[C@H](O)CC[N@@H+]1CC1CCN(C)CC1 ZINC000894753161 583515997 /nfs/dbraw/zinc/51/59/97/583515997.db2.gz JOOZYQFCIZUCBR-ZYHUDNBSSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1[C@H](O)CC[N@H+]1CC1CCN(C)CC1 ZINC000894753161 583515998 /nfs/dbraw/zinc/51/59/98/583515998.db2.gz JOOZYQFCIZUCBR-ZYHUDNBSSA-N 1 3 212.337 0.783 20 0 BCADHO C[NH+]1CCC(CN2CCCN(C=O)CC2)CC1 ZINC000895473322 583679714 /nfs/dbraw/zinc/67/97/14/583679714.db2.gz MTEWRUSSUIKLPF-UHFFFAOYSA-N 1 3 239.363 0.492 20 0 BCADHO CN1CCC(C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000895473322 583679716 /nfs/dbraw/zinc/67/97/16/583679716.db2.gz MTEWRUSSUIKLPF-UHFFFAOYSA-N 1 3 239.363 0.492 20 0 BCADHO CN1CCC(C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000895473322 583679717 /nfs/dbraw/zinc/67/97/17/583679717.db2.gz MTEWRUSSUIKLPF-UHFFFAOYSA-N 1 3 239.363 0.492 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)NCCN(C)C)C1 ZINC000897441307 583984884 /nfs/dbraw/zinc/98/48/84/583984884.db2.gz BZIXPEBRANEEDA-NSHDSACASA-N 1 3 242.367 0.189 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)NCCN(C)C)C1 ZINC000897441307 583984885 /nfs/dbraw/zinc/98/48/85/583984885.db2.gz BZIXPEBRANEEDA-NSHDSACASA-N 1 3 242.367 0.189 20 0 BCADHO C[C@H](CNc1ccnc(CO)c1)[NH+](C)C ZINC000858363990 588948774 /nfs/dbraw/zinc/94/87/74/588948774.db2.gz BSELNNKIGMPNCF-SECBINFHSA-N 1 3 209.293 0.936 20 0 BCADHO C[C@H](N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1C[NH2+]C1 ZINC000873238621 584128310 /nfs/dbraw/zinc/12/83/10/584128310.db2.gz CTHBXYISQRAUDE-SSUWSLHESA-N 1 3 222.332 0.607 20 0 BCADHO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)C1CNC1 ZINC000873238621 584128311 /nfs/dbraw/zinc/12/83/11/584128311.db2.gz CTHBXYISQRAUDE-SSUWSLHESA-N 1 3 222.332 0.607 20 0 BCADHO C[C@H](NC(=[NH2+])NCCNc1ccncc1)C1CC1 ZINC000899265200 584189761 /nfs/dbraw/zinc/18/97/61/584189761.db2.gz UIVQMRUBMQEEQQ-JTQLQIEISA-N 1 3 247.346 0.828 20 0 BCADHO C[NH+]1CCC2(CCN2C[C@H](O)C2CC2)CC1 ZINC000899909405 584249466 /nfs/dbraw/zinc/24/94/66/584249466.db2.gz BGPWIWWUYIDKBQ-LBPRGKRZSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC2(CC[N@@H+]2C[C@H](O)C2CC2)CC1 ZINC000899909405 584249467 /nfs/dbraw/zinc/24/94/67/584249467.db2.gz BGPWIWWUYIDKBQ-LBPRGKRZSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC2(CC[N@H+]2C[C@H](O)C2CC2)CC1 ZINC000899909405 584249468 /nfs/dbraw/zinc/24/94/68/584249468.db2.gz BGPWIWWUYIDKBQ-LBPRGKRZSA-N 1 3 224.348 0.927 20 0 BCADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000900366919 584296901 /nfs/dbraw/zinc/29/69/01/584296901.db2.gz IWWPEDWVBVVVAM-UHFFFAOYSA-N 1 3 237.347 0.293 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900694847 584338754 /nfs/dbraw/zinc/33/87/54/584338754.db2.gz KUFJLGTUSKRGJF-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO CN(C)C[C@@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365343 584573488 /nfs/dbraw/zinc/57/34/88/584573488.db2.gz ZGRIWBZLOIEINE-NEPJUHHUSA-N 1 3 243.395 0.277 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CC2(N)CC2)CN1C1CC1 ZINC000902415581 584589436 /nfs/dbraw/zinc/58/94/36/584589436.db2.gz JILNTKMGHPVPGA-UWVGGRQHSA-N 1 3 209.337 0.693 20 0 BCADHO C[C@H]1C[C@H](NCC2([NH3+])CC2)CN1C1CC1 ZINC000902415581 584589439 /nfs/dbraw/zinc/58/94/39/584589439.db2.gz JILNTKMGHPVPGA-UWVGGRQHSA-N 1 3 209.337 0.693 20 0 BCADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCON ZINC000902416602 584590421 /nfs/dbraw/zinc/59/04/21/584590421.db2.gz UPUSDZWERDTNKD-WCQYABFASA-N 1 3 237.347 0.815 20 0 BCADHO CN1CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902472494 584601355 /nfs/dbraw/zinc/60/13/55/584601355.db2.gz BDWQMRZLTBCYIU-GRYCIOLGSA-N 1 3 209.337 0.563 20 0 BCADHO CN1CCC(N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447857 584604927 /nfs/dbraw/zinc/60/49/27/584604927.db2.gz WMHVCUYMMOSWNO-NSHDSACASA-N 1 3 211.353 0.668 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450430 584606828 /nfs/dbraw/zinc/60/68/28/584606828.db2.gz DHFVAWNPHKSWEG-KPXOBLAASA-N 1 3 222.332 0.879 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450419 584606882 /nfs/dbraw/zinc/60/68/82/584606882.db2.gz DHFVAWNPHKSWEG-DDPKUIBDSA-N 1 3 222.332 0.879 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@H](C)C[C@H](C)[NH3+] ZINC000902456217 584610238 /nfs/dbraw/zinc/61/02/38/584610238.db2.gz ODOCJKSWASNHHI-LNFKQOIKSA-N 1 3 216.325 0.506 20 0 BCADHO COC[C@@H](O)C[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000902512592 584623215 /nfs/dbraw/zinc/62/32/15/584623215.db2.gz ASWIYQCGVUDCSR-OUAUKWLOSA-N 1 3 216.325 0.114 20 0 BCADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cnccc1N ZINC000902490183 584617245 /nfs/dbraw/zinc/61/72/45/584617245.db2.gz UICNANQNKNOUJO-OPRDCNLKSA-N 1 3 220.320 0.882 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC[C@H](CC(N)=O)C1 ZINC000903439556 584762833 /nfs/dbraw/zinc/76/28/33/584762833.db2.gz KJTTVSTVJPWHAY-UTUOFQBUSA-N 1 3 239.363 0.429 20 0 BCADHO COCCN1CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441251 584763302 /nfs/dbraw/zinc/76/33/02/584763302.db2.gz JOVJUTXQHSAPIF-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO CON1CC[C@H](N2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000903423640 584764303 /nfs/dbraw/zinc/76/43/03/584764303.db2.gz ZBQLQCOBQAGXGJ-ONGXEEELSA-N 1 3 241.335 0.208 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CC[C@@H](F)[C@H](N)C1 ZINC000903464361 584767467 /nfs/dbraw/zinc/76/74/67/584767467.db2.gz KOARRHBQSIBWOL-LMLFDSFASA-N 1 3 215.316 0.213 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@H](O)CC(C)(C)C1 ZINC000903475767 584776722 /nfs/dbraw/zinc/77/67/22/584776722.db2.gz CJYXQSDKJQRUSK-GRYCIOLGSA-N 1 3 226.364 0.935 20 0 BCADHO CO[C@@H]1COCC[C@H]1N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481810 584778191 /nfs/dbraw/zinc/77/81/91/584778191.db2.gz NKMGCWZDCUAFJH-YVECIDJPSA-N 1 3 242.363 0.578 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903763212 584797335 /nfs/dbraw/zinc/79/73/35/584797335.db2.gz INCXSWXBEPAWSJ-MLGHIDQZSA-N 1 3 240.347 0.650 20 0 BCADHO [NH3+]C[C@]12CC[C@H]1CCCN2C[C@H]1CNCCO1 ZINC000903801471 584802039 /nfs/dbraw/zinc/80/20/39/584802039.db2.gz NPAFSTFMMDGMMB-JHJVBQTASA-N 1 3 239.363 0.178 20 0 BCADHO CO[C@@H]1CC[C@@H]1N(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829600 584805761 /nfs/dbraw/zinc/80/57/61/584805761.db2.gz IDNPGNGKQBRHPT-SDDRHHMPSA-N 1 3 240.347 0.474 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CC[C@H](O)[C@H](F)C2)C1 ZINC000903838837 584807215 /nfs/dbraw/zinc/80/72/15/584807215.db2.gz FXDAFMNPMABEOO-ZDCRXTMVSA-N 1 3 216.300 0.519 20 0 BCADHO O[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903839227 584807378 /nfs/dbraw/zinc/80/73/78/584807378.db2.gz JCXZKJIBYOWDCH-OUAUKWLOSA-N 1 3 216.300 0.391 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CC[C@@H](O)[C@H](F)C2)C1 ZINC000903838835 584807425 /nfs/dbraw/zinc/80/74/25/584807425.db2.gz FXDAFMNPMABEOO-LNFKQOIKSA-N 1 3 216.300 0.519 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903857005 584810425 /nfs/dbraw/zinc/81/04/25/584810425.db2.gz BTPALCMDNYTZPU-DGCLKSJQSA-N 1 3 234.347 0.776 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903857005 584810427 /nfs/dbraw/zinc/81/04/27/584810427.db2.gz BTPALCMDNYTZPU-DGCLKSJQSA-N 1 3 234.347 0.776 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903859144 584811047 /nfs/dbraw/zinc/81/10/47/584811047.db2.gz LGQUOJLFAZJXCH-JQWIXIFHSA-N 1 3 226.320 0.753 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903859144 584811048 /nfs/dbraw/zinc/81/10/48/584811048.db2.gz LGQUOJLFAZJXCH-JQWIXIFHSA-N 1 3 226.320 0.753 20 0 BCADHO CCOCCOCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903864713 584813088 /nfs/dbraw/zinc/81/30/88/584813088.db2.gz VZKZRNFIILGTTO-OLZOCXBDSA-N 1 3 242.363 0.853 20 0 BCADHO CCOCCOCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903864713 584813089 /nfs/dbraw/zinc/81/30/89/584813089.db2.gz VZKZRNFIILGTTO-OLZOCXBDSA-N 1 3 242.363 0.853 20 0 BCADHO C[C@@H]1[C@@H](C)N(C[C@@H]([NH3+])CC(F)F)CCN1C ZINC000903915013 584819267 /nfs/dbraw/zinc/81/92/67/584819267.db2.gz XDLOHIZMAFBCKW-BBBLOLIVSA-N 1 3 235.322 0.993 20 0 BCADHO CN1CCN(C[C@@H]([NH3+])CC(F)F)C(C)(C)C1 ZINC000903894763 584819575 /nfs/dbraw/zinc/81/95/75/584819575.db2.gz DHHKZOOUJGIGIC-VIFPVBQESA-N 1 3 235.322 0.995 20 0 BCADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@@H](C)CN1C ZINC000903908197 584821916 /nfs/dbraw/zinc/82/19/16/584821916.db2.gz FUSQNSIKRWWQDZ-KXUCPTDWSA-N 1 3 235.322 0.993 20 0 BCADHO OC[C@@]1(F)CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918470 584822431 /nfs/dbraw/zinc/82/24/31/584822431.db2.gz ZZOAUAWMGSJTQN-PSEXLTFBSA-N 1 3 242.338 0.923 20 0 BCADHO N[C@H](C[NH2+][C@@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928138 584824220 /nfs/dbraw/zinc/82/42/20/584824220.db2.gz WCLHSPWCSGLWES-JGVFFNPUSA-N 1 3 247.289 0.322 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](NCc2cc(N)ccn2)C1 ZINC000903953318 584831556 /nfs/dbraw/zinc/83/15/56/584831556.db2.gz CXOMEEKTLAHJJX-GXSJLCMTSA-N 1 3 220.320 0.751 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cnc(N)cn1 ZINC000903978494 584833097 /nfs/dbraw/zinc/83/30/97/584833097.db2.gz HIYSTUDZFKTGAY-NXEZZACHSA-N 1 3 235.335 0.394 20 0 BCADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000904301290 584861060 /nfs/dbraw/zinc/86/10/60/584861060.db2.gz DCQQMVXWMIQKTC-MNOVXSKESA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000904301290 584861061 /nfs/dbraw/zinc/86/10/61/584861061.db2.gz DCQQMVXWMIQKTC-MNOVXSKESA-N 1 3 241.379 0.947 20 0 BCADHO C[C@]1(CN2CC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904302878 584862076 /nfs/dbraw/zinc/86/20/76/584862076.db2.gz YCGMEZBJGROJCD-PWSUYJOCSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@]1(C[N@@H+]2CC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904302878 584862077 /nfs/dbraw/zinc/86/20/77/584862077.db2.gz YCGMEZBJGROJCD-PWSUYJOCSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@]1(C[N@H+]2CC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904302878 584862078 /nfs/dbraw/zinc/86/20/78/584862078.db2.gz YCGMEZBJGROJCD-PWSUYJOCSA-N 1 3 225.336 0.183 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000904314433 584863290 /nfs/dbraw/zinc/86/32/90/584863290.db2.gz XDGGQVVDYRGWDZ-WRWGMCAJSA-N 1 3 237.347 0.467 20 0 BCADHO Cn1cc(N2CCN(C[C@H]3C[C@@H]([NH3+])C3)CC2)cn1 ZINC000904320077 584863824 /nfs/dbraw/zinc/86/38/24/584863824.db2.gz CROBPLFPAXFCFQ-TXEJJXNPSA-N 1 3 249.362 0.279 20 0 BCADHO CC(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904322310 584864540 /nfs/dbraw/zinc/86/45/40/584864540.db2.gz WCOAMFPDMSDXKY-ZMLRMANQSA-N 1 3 225.336 0.276 20 0 BCADHO CCN(C[C@@H](O)C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343765 584867917 /nfs/dbraw/zinc/86/79/17/584867917.db2.gz WKMQPKYUXOYVEX-HRDYMLBCSA-N 1 3 240.269 0.969 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCNC[C@@H]2c2ccncc2)C1 ZINC000904350128 584868844 /nfs/dbraw/zinc/86/88/44/584868844.db2.gz GOMBUTNNAFFGMY-KWCYVHTRSA-N 1 3 246.358 0.765 20 0 BCADHO Nc1ccc(CN2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000904349990 584868904 /nfs/dbraw/zinc/86/89/04/584868904.db2.gz FWVNXFWDRTZECZ-UHFFFAOYSA-N 1 3 247.346 0.634 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCNC[C@@H]2C(F)F)C1 ZINC000904350222 584868925 /nfs/dbraw/zinc/86/89/25/584868925.db2.gz IOMZKCWUNPUECG-HRDYMLBCSA-N 1 3 219.279 0.263 20 0 BCADHO Nc1ccc(CN[C@H]2CC23CC[NH2+]CC3)nn1 ZINC000904355051 584870994 /nfs/dbraw/zinc/87/09/94/584870994.db2.gz MGDSYQWCBKUSCY-JTQLQIEISA-N 1 3 233.319 0.291 20 0 BCADHO Cc1c(CNC2CC(C[NH3+])C2)cnn1C ZINC000904369090 584872713 /nfs/dbraw/zinc/87/27/13/584872713.db2.gz XKKFDHSSAZEZRM-UHFFFAOYSA-N 1 3 208.309 0.555 20 0 BCADHO [NH3+]CC1CC(N[C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000904370986 584873426 /nfs/dbraw/zinc/87/34/26/584873426.db2.gz GYMFUSSZHHNIRA-MMVSWEMESA-N 1 3 237.347 0.467 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1ccc(N)nn1 ZINC000904388330 584874855 /nfs/dbraw/zinc/87/48/55/584874855.db2.gz GWTLQRMGALESPL-NXEZZACHSA-N 1 3 235.335 0.394 20 0 BCADHO C[C@@H](NCc1ccc(N)nn1)C1CC[NH2+]CC1 ZINC000904385221 584877991 /nfs/dbraw/zinc/87/79/91/584877991.db2.gz VMIIYVNJMWPMKG-SECBINFHSA-N 1 3 235.335 0.537 20 0 BCADHO [NH3+]CC[C@@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000904405606 584878741 /nfs/dbraw/zinc/87/87/41/584878741.db2.gz KNQDSGQHINMIHY-LLVKDONJSA-N 1 3 245.330 0.900 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCNCC1(C)C ZINC000876537934 584885886 /nfs/dbraw/zinc/88/58/86/584885886.db2.gz HVYLFSVZBZBMKF-ZJUUUORDSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCNCC1(C)C ZINC000876537933 584885981 /nfs/dbraw/zinc/88/59/81/584885981.db2.gz HVYLFSVZBZBMKF-VHSXEESVSA-N 1 3 239.363 0.570 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000876864207 584887476 /nfs/dbraw/zinc/88/74/76/584887476.db2.gz LCHSZDXUFSFUSL-RKDXNWHRSA-N 1 3 245.273 0.147 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CC[C@@H]1[NH3+] ZINC000884033785 584938520 /nfs/dbraw/zinc/93/85/20/584938520.db2.gz SZJXGSMZWSTLLT-MIMYLULJSA-N 1 3 225.336 0.310 20 0 BCADHO CC(=O)NCCCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000741250972 585111850 /nfs/dbraw/zinc/11/18/50/585111850.db2.gz KZIIVZKZVVSVRX-CYBMUJFWSA-N 1 3 241.379 0.786 20 0 BCADHO CC(=O)NCCCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741250972 585111851 /nfs/dbraw/zinc/11/18/51/585111851.db2.gz KZIIVZKZVVSVRX-CYBMUJFWSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=S)NCCN(C)C ZINC000743579873 585137943 /nfs/dbraw/zinc/13/79/43/585137943.db2.gz MTQXRPZRNXYLLR-JTQLQIEISA-N 1 3 246.424 0.352 20 0 BCADHO CN(C)C1(C(=O)NCC[NH+](C)C)CCC1 ZINC000751542581 585232404 /nfs/dbraw/zinc/23/24/04/585232404.db2.gz IVORQLRSFWJMON-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC000763045680 585442531 /nfs/dbraw/zinc/44/25/31/585442531.db2.gz WMHLPQTVGSNMQY-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CN(C)C1(C(=O)N(C)CCC[NH+](C)C)CCC1 ZINC000775817229 585685509 /nfs/dbraw/zinc/68/55/09/585685509.db2.gz FYRBYYOGPTZJSY-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO CCN1CCN(CCC[NH2+][C@@H](C)CCO)CC1 ZINC000779385485 585753079 /nfs/dbraw/zinc/75/30/79/585753079.db2.gz FIWJJYTYAAUDKE-ZDUSSCGKSA-N 1 3 243.395 0.375 20 0 BCADHO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc(N)n1 ZINC000785836791 585881674 /nfs/dbraw/zinc/88/16/74/585881674.db2.gz GFJFGWLPPMNALB-ZJUUUORDSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc(N)n1 ZINC000785836791 585881675 /nfs/dbraw/zinc/88/16/75/585881675.db2.gz GFJFGWLPPMNALB-ZJUUUORDSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@@H](C)N(C)C[C@@H]2C)nc(N)[nH+]1 ZINC000785836791 585881676 /nfs/dbraw/zinc/88/16/76/585881676.db2.gz GFJFGWLPPMNALB-ZJUUUORDSA-N 1 3 235.335 0.896 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(F)F ZINC000787322330 585906759 /nfs/dbraw/zinc/90/67/59/585906759.db2.gz DKACKALUNYXHQD-UHFFFAOYSA-N 1 3 237.294 0.203 20 0 BCADHO C[NH+](C)CC1CCN(CC[S@@](C)=O)CC1 ZINC000787707466 585914221 /nfs/dbraw/zinc/91/42/21/585914221.db2.gz FUVYNTFEUDMGRO-OAHLLOKOSA-N 1 3 232.393 0.639 20 0 BCADHO CCNC(=O)CN(CC)CC1CC[NH+](C)CC1 ZINC000788467930 585925005 /nfs/dbraw/zinc/92/50/05/585925005.db2.gz BDLBLYRZNJMAKK-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CNC(=O)[C@H]1CCCN1CC1CC[NH+](C)CC1 ZINC000788478391 585925208 /nfs/dbraw/zinc/92/52/08/585925208.db2.gz JMVAXGSRJAGDRC-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C(N)=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178462 586165952 /nfs/dbraw/zinc/16/59/52/586165952.db2.gz VQGDRNMYCVURLK-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+]C[C@@H](O)C1CC1 ZINC000843105727 586384754 /nfs/dbraw/zinc/38/47/54/586384754.db2.gz UYXDCPLYRXHGBA-CHWSQXEVSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H]1N ZINC000817914336 586839841 /nfs/dbraw/zinc/83/98/41/586839841.db2.gz VHZMJPJHHPUHOQ-IJLUTSLNSA-N 1 3 211.353 0.940 20 0 BCADHO CCNCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000818574777 586902632 /nfs/dbraw/zinc/90/26/32/586902632.db2.gz NHGGLNMNTDZECX-GARJFASQSA-N 1 3 225.336 0.182 20 0 BCADHO CC[NH2+]CC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000818596986 586904486 /nfs/dbraw/zinc/90/44/86/586904486.db2.gz PGNWMDRHCDRAOY-UHFFFAOYSA-N 1 3 249.314 0.717 20 0 BCADHO CCNCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000818608920 586906184 /nfs/dbraw/zinc/90/61/84/586906184.db2.gz GMJUVQQYNCAEGP-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO OCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820805928 587073582 /nfs/dbraw/zinc/07/35/82/587073582.db2.gz VGMNZICXJWDWAO-CLYYMRHHSA-N 1 3 210.321 0.726 20 0 BCADHO OCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820805928 587073583 /nfs/dbraw/zinc/07/35/83/587073583.db2.gz VGMNZICXJWDWAO-CLYYMRHHSA-N 1 3 210.321 0.726 20 0 BCADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cnnn1C ZINC000820810560 587074366 /nfs/dbraw/zinc/07/43/66/587074366.db2.gz ZGQDMIZZSQRFAT-GHMZBOCLSA-N 1 3 237.351 0.808 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000827777019 587401761 /nfs/dbraw/zinc/40/17/61/587401761.db2.gz KJTQISWFHXUCIG-ZYHUDNBSSA-N 1 3 245.342 0.535 20 0 BCADHO C[C@@H]1CN(C(=O)CCCCC[NH3+])[C@H](C)CN1 ZINC000831540219 587617664 /nfs/dbraw/zinc/61/76/64/587617664.db2.gz MHLIWCYDEFUQIY-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H](N)CC(F)F ZINC000831970397 587639614 /nfs/dbraw/zinc/63/96/14/587639614.db2.gz FYXCRZLRRPBKLA-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H](N)CC(F)F ZINC000831970397 587639615 /nfs/dbraw/zinc/63/96/15/587639615.db2.gz FYXCRZLRRPBKLA-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN1CCC[C@H]1C ZINC000831970979 587640300 /nfs/dbraw/zinc/64/03/00/587640300.db2.gz PARDLFWTBPFRRI-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000831970623 587640332 /nfs/dbraw/zinc/64/03/32/587640332.db2.gz JUKMDHLZUBUPPY-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C(C)(C)[NH3+] ZINC000831970959 587640502 /nfs/dbraw/zinc/64/05/02/587640502.db2.gz OZFPETWXOGESIB-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970603 587640631 /nfs/dbraw/zinc/64/06/31/587640631.db2.gz JJTZXWCULULILF-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970603 587640633 /nfs/dbraw/zinc/64/06/33/587640633.db2.gz JJTZXWCULULILF-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)CC(C)(C)[NH3+] ZINC000831970597 587640875 /nfs/dbraw/zinc/64/08/75/587640875.db2.gz JGPQVCZQMLWKAG-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)(N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606482 587669024 /nfs/dbraw/zinc/66/90/24/587669024.db2.gz JGFQFIFVKKXQEK-UHFFFAOYSA-N 1 3 237.303 0.700 20 0 BCADHO CN(C(=O)[C@@]1(F)CCNC1)C1CCC([NH3+])CC1 ZINC000832829405 587692857 /nfs/dbraw/zinc/69/28/57/587692857.db2.gz VYAYLBHUPNHBMU-RTYFJBAXSA-N 1 3 243.326 0.416 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000834582554 587760022 /nfs/dbraw/zinc/76/00/22/587760022.db2.gz SDAMUXYXMVTDTL-ZJUUUORDSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000834608607 587760574 /nfs/dbraw/zinc/76/05/74/587760574.db2.gz DROVDQCEAVFXOM-KWQFWETISA-N 1 3 239.294 0.331 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC[C@H]1[NH3+] ZINC000834648273 587762627 /nfs/dbraw/zinc/76/26/27/587762627.db2.gz ULAXIFZCGYKCTG-FOGDFJRCSA-N 1 3 243.326 0.274 20 0 BCADHO CN1CCCC(C(=O)OCCC[NH+](C)C)C1=O ZINC000837959533 587906073 /nfs/dbraw/zinc/90/60/73/587906073.db2.gz ODFGCIAFOFGRDS-SNVBAGLBSA-N 1 3 242.319 0.350 20 0 BCADHO C[C@H]([NH3+])CNC(=O)NC[C@H](C)N1CCCCC1 ZINC000841723866 587972984 /nfs/dbraw/zinc/97/29/84/587972984.db2.gz BADUPLHCDHFVLC-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H](CNC(=O)N(C)CC[NH3+])N1CCCCC1 ZINC000841725312 587973011 /nfs/dbraw/zinc/97/30/11/587973011.db2.gz LROINKIBULLHEW-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO C[C@H](C[NH3+])NC(=O)NC[C@@H](C)N1CCCCC1 ZINC000841725590 587973033 /nfs/dbraw/zinc/97/30/33/587973033.db2.gz NRFBEEWWZYHMTN-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)[C@@]2(F)CCNC2)c1 ZINC000841845333 587977246 /nfs/dbraw/zinc/97/72/46/587977246.db2.gz SCCKRNRGUUWAIO-GFCCVEGCSA-N 1 3 237.278 0.785 20 0 BCADHO N[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848029 587977407 /nfs/dbraw/zinc/97/74/07/587977407.db2.gz QRLYAEBCOZGWPZ-QWHCGFSZSA-N 1 3 247.342 0.930 20 0 BCADHO CCNCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000841851046 587978233 /nfs/dbraw/zinc/97/82/33/587978233.db2.gz JVUPARCWTMBPKK-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)CCN1 ZINC000841851263 587978534 /nfs/dbraw/zinc/97/85/34/587978534.db2.gz KBMOTSPJDYDONA-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)(N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327630 588100110 /nfs/dbraw/zinc/10/01/10/588100110.db2.gz LMIRXIZJTKJJRO-UHFFFAOYSA-N 1 3 235.331 0.541 20 0 BCADHO C[C@H](CS(C)(=O)=O)NCCCCCC[NH3+] ZINC000843343341 588101604 /nfs/dbraw/zinc/10/16/04/588101604.db2.gz ZLYSMEBTSNGPCK-SNVBAGLBSA-N 1 3 236.381 0.528 20 0 BCADHO CCNCC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000843352586 588102911 /nfs/dbraw/zinc/10/29/11/588102911.db2.gz INFZIEOEQAOUBJ-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CCCN(C(=O)CNCC)C1CC[NH2+]CC1 ZINC000843450227 588111340 /nfs/dbraw/zinc/11/13/40/588111340.db2.gz XKFVDGKDNREINR-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCCCC[NH3+] ZINC000843474355 588113933 /nfs/dbraw/zinc/11/39/33/588113933.db2.gz YNJHVAZWNGKGDW-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)(N)C(=O)NCCCCCC[NH3+] ZINC000843505794 588117104 /nfs/dbraw/zinc/11/71/04/588117104.db2.gz NFQSVRDXKSIXBP-UHFFFAOYSA-N 1 3 201.314 0.359 20 0 BCADHO CCNCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000843505304 588117161 /nfs/dbraw/zinc/11/71/61/588117161.db2.gz JJIYCUBHUQIOID-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO NC1(C(=O)NCCCCCC[NH3+])CCC1 ZINC000843512445 588117610 /nfs/dbraw/zinc/11/76/10/588117610.db2.gz LMLHIXXVQFJPCH-UHFFFAOYSA-N 1 3 213.325 0.503 20 0 BCADHO CCNCC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000844185032 588170450 /nfs/dbraw/zinc/17/04/50/588170450.db2.gz DJCBSQKFFDXYRB-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCNCC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000844185032 588170451 /nfs/dbraw/zinc/17/04/51/588170451.db2.gz DJCBSQKFFDXYRB-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000844178106 588172288 /nfs/dbraw/zinc/17/22/88/588172288.db2.gz KJNPAWIEHZCZBY-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO CC[NH2+]CC(=O)N1CCCN(C(C)C)CC1 ZINC000844204910 588173763 /nfs/dbraw/zinc/17/37/63/588173763.db2.gz RLAKFHRATWESGQ-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)[N-]OC2CC[NH+](C)CC2)C1 ZINC000846648273 588280915 /nfs/dbraw/zinc/28/09/15/588280915.db2.gz QVYGKXPKKNHKBF-JTQLQIEISA-N 1 3 241.335 0.080 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)[N-]OC2CC[NH+](C)CC2)C1 ZINC000846648273 588280916 /nfs/dbraw/zinc/28/09/16/588280916.db2.gz QVYGKXPKKNHKBF-JTQLQIEISA-N 1 3 241.335 0.080 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846692870 588283112 /nfs/dbraw/zinc/28/31/12/588283112.db2.gz ZUWBJKHKQMMAKI-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]CCC1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000846699711 588283516 /nfs/dbraw/zinc/28/35/16/588283516.db2.gz QCVNZIZDDGVKMO-GFCCVEGCSA-N 1 3 243.326 0.275 20 0 BCADHO NC[C@H](NC(=O)C[C@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438194 588385022 /nfs/dbraw/zinc/38/50/22/588385022.db2.gz QVIATTFJAZJTRJ-BQBZGAKWSA-N 1 3 239.241 0.120 20 0 BCADHO Cn1cc([C@H](O)CN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000848718717 588408288 /nfs/dbraw/zinc/40/82/88/588408288.db2.gz QCBMHDNGKGFCQO-SDDRHHMPSA-N 1 3 238.335 0.313 20 0 BCADHO CN(C)CC(C)(C)CNC(=[NH2+])N1CCC1 ZINC000848980962 588423568 /nfs/dbraw/zinc/42/35/68/588423568.db2.gz NTXSJQHBLNRGMH-UHFFFAOYSA-N 1 3 212.341 0.804 20 0 BCADHO CC[C@@H](C)NC(=[NH2+])NCCCN(C)CCOC ZINC000848993175 588428002 /nfs/dbraw/zinc/42/80/02/588428002.db2.gz CZNVBQYFHPWHMK-LLVKDONJSA-N 1 3 244.383 0.867 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)NCC1CCC1 ZINC000848995373 588428802 /nfs/dbraw/zinc/42/88/02/588428802.db2.gz ONZCXRUYXZHYNP-UHFFFAOYSA-N 1 3 247.346 0.829 20 0 BCADHO C[C@@H]1CCN(CCNC(=[NH2+])NC2CCC2)C1 ZINC000849004614 588431777 /nfs/dbraw/zinc/43/17/77/588431777.db2.gz RMNZVZDTAHDZFD-SNVBAGLBSA-N 1 3 224.352 0.995 20 0 BCADHO C[C@@H]1CCN(CCNC(=[NH2+])NC2CC2)C1 ZINC000849004778 588432210 /nfs/dbraw/zinc/43/22/10/588432210.db2.gz ZEDSVNROSHSDID-SECBINFHSA-N 1 3 210.325 0.605 20 0 BCADHO C[C@H](CNC(=[NH2+])N1CCSCC1)CN(C)C ZINC000849030713 588442779 /nfs/dbraw/zinc/44/27/79/588442779.db2.gz TYVKCAAXNFRNIT-SNVBAGLBSA-N 1 3 244.408 0.757 20 0 BCADHO COCCNC(=[NH2+])NCCN1CCCC1(C)C ZINC000849039305 588446899 /nfs/dbraw/zinc/44/68/99/588446899.db2.gz RGZDSJDVOMZASX-UHFFFAOYSA-N 1 3 242.367 0.621 20 0 BCADHO CON(C)CC[NH2+]C1CCN(C(C)C)CC1 ZINC000850481185 588551527 /nfs/dbraw/zinc/55/15/27/588551527.db2.gz YSEPQUCSWGUTIS-UHFFFAOYSA-N 1 3 229.368 0.942 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852824069 588705773 /nfs/dbraw/zinc/70/57/73/588705773.db2.gz OZKXTVOVVGETQX-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO O=C(C=C1CC[NH2+]CC1)NCCN1CCCC1 ZINC000852856278 588708555 /nfs/dbraw/zinc/70/85/55/588708555.db2.gz XUBBSSBWMUZEFK-UHFFFAOYSA-N 1 3 237.347 0.508 20 0 BCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000852861829 588709210 /nfs/dbraw/zinc/70/92/10/588709210.db2.gz KPYJFMDZGNYKRE-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(C=C1CC[NH2+]CC1)N[C@H]1CCN(C2CC2)C1 ZINC000852862515 588709232 /nfs/dbraw/zinc/70/92/32/588709232.db2.gz HALJWELWDSGAAW-LBPRGKRZSA-N 1 3 249.358 0.649 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)NC1CC1 ZINC000852868712 588709584 /nfs/dbraw/zinc/70/95/84/588709584.db2.gz VJNAWBRSOHHNDC-GXSJLCMTSA-N 1 3 227.352 0.617 20 0 BCADHO NC[C@H]1CC(C(=O)Nc2ccc(C[NH3+])cc2)=NO1 ZINC000852876489 588710352 /nfs/dbraw/zinc/71/03/52/588710352.db2.gz JQJJTVNFBBISGM-SNVBAGLBSA-N 1 3 248.286 0.187 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCCN1C ZINC000861565084 589168619 /nfs/dbraw/zinc/16/86/19/589168619.db2.gz FJWUICPETYPSJE-ZJUUUORDSA-N 1 3 228.340 0.069 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000863541887 589296875 /nfs/dbraw/zinc/29/68/75/589296875.db2.gz LVADZQQAZCLPHJ-NGZCFLSTSA-N 1 3 226.320 0.964 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000863541887 589296877 /nfs/dbraw/zinc/29/68/77/589296877.db2.gz LVADZQQAZCLPHJ-NGZCFLSTSA-N 1 3 226.320 0.964 20 0 BCADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000864456580 589367219 /nfs/dbraw/zinc/36/72/19/589367219.db2.gz JPSPENXDHGTUAN-MXWKQRLJSA-N 1 3 224.352 0.851 20 0 BCADHO CCC(CC)NC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000864464037 589370166 /nfs/dbraw/zinc/37/01/66/589370166.db2.gz PLRKWZWOAXOQLV-GFCCVEGCSA-N 1 3 242.367 0.356 20 0 BCADHO C[C@@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000864643423 589387240 /nfs/dbraw/zinc/38/72/40/589387240.db2.gz LVOJHDIQCMHKFZ-MRVPVSSYSA-N 1 3 217.276 0.746 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594606 589440609 /nfs/dbraw/zinc/44/06/09/589440609.db2.gz VBPBPVGRASWCHZ-NWDGAFQWSA-N 1 3 240.347 0.823 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120594606 589440610 /nfs/dbraw/zinc/44/06/10/589440610.db2.gz VBPBPVGRASWCHZ-NWDGAFQWSA-N 1 3 240.347 0.823 20 0 BCADHO CC1(C)C[C@@H](O)CN(CCOCC[NH3+])C1 ZINC000866702393 589513697 /nfs/dbraw/zinc/51/36/97/589513697.db2.gz AIKZNGYZQGJMMT-SNVBAGLBSA-N 1 3 216.325 0.055 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868006665 589543828 /nfs/dbraw/zinc/54/38/28/589543828.db2.gz FADSFTMOVKDJDC-BDAKNGLRSA-N 1 3 213.325 0.099 20 0 BCADHO C[C@H](NC(=O)[C@@H]1NCC1(C)C)C1CC[NH2+]CC1 ZINC000868012998 589544273 /nfs/dbraw/zinc/54/42/73/589544273.db2.gz YKTLYZBJIZNANT-ONGXEEELSA-N 1 3 239.363 0.489 20 0 BCADHO CC[C@@H](C[NH+](C)C)OC(=O)C1CCN(C)C1=O ZINC000870553156 589675058 /nfs/dbraw/zinc/67/50/58/589675058.db2.gz HSEHGSSPIJECDO-UWVGGRQHSA-N 1 3 242.319 0.348 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000870871536 589693447 /nfs/dbraw/zinc/69/34/47/589693447.db2.gz DPDJHYZWLALFHX-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000870907546 589695932 /nfs/dbraw/zinc/69/59/32/589695932.db2.gz YVSGLVHKLAHNFD-NGZCFLSTSA-N 1 3 225.336 0.323 20 0 BCADHO CN(C)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870914650 589696700 /nfs/dbraw/zinc/69/67/00/589696700.db2.gz PJNLVFPMNQVESE-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N(C)C ZINC000870965224 589702316 /nfs/dbraw/zinc/70/23/16/589702316.db2.gz LLBBQCLAGSDOFF-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870965624 589702420 /nfs/dbraw/zinc/70/24/20/589702420.db2.gz LZFIZBYEFBDOIA-AOOOYVTPSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870968740 589702983 /nfs/dbraw/zinc/70/29/83/589702983.db2.gz CGBHZDHKDVFRCB-GUBZILKMSA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981481 589703079 /nfs/dbraw/zinc/70/30/79/589703079.db2.gz IXTCKXWOFKATSV-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981481 589703081 /nfs/dbraw/zinc/70/30/81/589703081.db2.gz IXTCKXWOFKATSV-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N(C)C ZINC000870971423 589703225 /nfs/dbraw/zinc/70/32/25/589703225.db2.gz LLBBQCLAGSDOFF-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N(C)C ZINC000870971638 589703268 /nfs/dbraw/zinc/70/32/68/589703268.db2.gz QJPRSYRKMVKVPT-DCAQKATOSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)N(C)C ZINC000870971424 589703285 /nfs/dbraw/zinc/70/32/85/589703285.db2.gz LLBBQCLAGSDOFF-OPRDCNLKSA-N 1 3 213.325 0.180 20 0 BCADHO NC[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870972235 589703507 /nfs/dbraw/zinc/70/35/07/589703507.db2.gz WYNFUZVTBKTDNG-RAIGVLPGSA-N 1 3 247.342 0.582 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974755 589703962 /nfs/dbraw/zinc/70/39/62/589703962.db2.gz PNJGZNQEQBHPNP-USZNOCQGSA-N 1 3 239.363 0.617 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975720 589704086 /nfs/dbraw/zinc/70/40/86/589704086.db2.gz ZELYAWSTKKXQPK-LMLFDSFASA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981523 589704741 /nfs/dbraw/zinc/70/47/41/589704741.db2.gz JGKAZQOBRMKGBL-GRYCIOLGSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981523 589704742 /nfs/dbraw/zinc/70/47/42/589704742.db2.gz JGKAZQOBRMKGBL-GRYCIOLGSA-N 1 3 239.363 0.522 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985470 589706185 /nfs/dbraw/zinc/70/61/85/589706185.db2.gz FARGRIZKSHPVLB-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986054 589706190 /nfs/dbraw/zinc/70/61/90/589706190.db2.gz CZIBHQLFONZMNQ-WCBMZHEXSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994919 589707718 /nfs/dbraw/zinc/70/77/18/589707718.db2.gz YDSDFMKJZQOIDK-ZWNOBZJWSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870991650 589708227 /nfs/dbraw/zinc/70/82/27/589708227.db2.gz FXQDZWDVTIXCES-JOYOIKCWSA-N 1 3 227.352 0.557 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000872141056 589881910 /nfs/dbraw/zinc/88/19/10/589881910.db2.gz JLUAMZFODFUSIP-FDYHWXHSSA-N 1 3 240.347 0.353 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872141056 589881918 /nfs/dbraw/zinc/88/19/18/589881918.db2.gz JLUAMZFODFUSIP-FDYHWXHSSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CC(C)(C)O ZINC000872201712 589891034 /nfs/dbraw/zinc/89/10/34/589891034.db2.gz HXKXTPSUUIIIEX-GHMZBOCLSA-N 1 3 232.368 0.438 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)CC(C)(C)O)CC[N@@H+]1C ZINC000872204363 589891539 /nfs/dbraw/zinc/89/15/39/589891539.db2.gz OUHSBDPRZYLEEP-WOPDTQHZSA-N 1 3 244.379 0.581 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204363 589891542 /nfs/dbraw/zinc/89/15/42/589891542.db2.gz OUHSBDPRZYLEEP-WOPDTQHZSA-N 1 3 244.379 0.581 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCNCCC1(C)C ZINC000872298592 589907902 /nfs/dbraw/zinc/90/79/02/589907902.db2.gz NZRUNDVOBQPAMK-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCNCCC1(C)C ZINC000872297611 589908371 /nfs/dbraw/zinc/90/83/71/589908371.db2.gz SCCYJQWHAZQLGZ-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO O[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873202988 589992685 /nfs/dbraw/zinc/99/26/85/589992685.db2.gz LARADPZGPGUBBI-JTQLQIEISA-N 1 3 238.356 0.960 20 0 BCADHO Nc1cnc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000873210206 589994934 /nfs/dbraw/zinc/99/49/34/589994934.db2.gz YUDRDMJKHCZIPW-SNVBAGLBSA-N 1 3 235.335 0.620 20 0 BCADHO FC1(F)CCNC[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000873212728 589997130 /nfs/dbraw/zinc/99/71/30/589997130.db2.gz RCBAXXQDVQFEPQ-KYHHOPLUSA-N 1 3 231.290 0.325 20 0 BCADHO Nc1cnc(CN[C@H]2CC[C@H](C[NH3+])C2)cn1 ZINC000873212897 589997511 /nfs/dbraw/zinc/99/75/11/589997511.db2.gz RRYVVQQFYOZTRO-IUCAKERBSA-N 1 3 221.308 0.276 20 0 BCADHO C[C@]1(CN[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC[NH2+]C1 ZINC000873217348 589998083 /nfs/dbraw/zinc/99/80/83/589998083.db2.gz JXCQXKMWVOLZKX-GLBINXAQSA-N 1 3 236.359 0.999 20 0 BCADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1nccn1C ZINC000873252211 590009214 /nfs/dbraw/zinc/00/92/14/590009214.db2.gz QDGQQLBMDGPWCB-LPEHRKFASA-N 1 3 208.309 0.808 20 0 BCADHO Cn1ccc(CNC2CCC([NH3+])CC2)n1 ZINC000124710255 590075908 /nfs/dbraw/zinc/07/59/08/590075908.db2.gz KQAWAZLYKOENKU-UHFFFAOYSA-N 1 3 208.309 0.780 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514729 590206437 /nfs/dbraw/zinc/20/64/37/590206437.db2.gz YLVMJDLYEXAIEU-VXGBXAGGSA-N 1 3 241.379 0.947 20 0 BCADHO CC1(C)CNCCN1C(=O)CC[NH2+]CC1CC1 ZINC000876537760 590211599 /nfs/dbraw/zinc/21/15/99/590211599.db2.gz BMKPXNQISMMZOJ-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876538529 590211605 /nfs/dbraw/zinc/21/16/05/590211605.db2.gz SDQJFWFTDTWLGM-ZJUUUORDSA-N 1 3 243.326 0.144 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876538526 590211781 /nfs/dbraw/zinc/21/17/81/590211781.db2.gz SDQJFWFTDTWLGM-NXEZZACHSA-N 1 3 243.326 0.144 20 0 BCADHO CN(CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876737458 590234766 /nfs/dbraw/zinc/23/47/66/590234766.db2.gz QWADFSUOYIZTLG-ONGXEEELSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@@H](C)CN1 ZINC000876796794 590242882 /nfs/dbraw/zinc/24/28/82/590242882.db2.gz JDLLUUBAMZISJY-RCWTZXSCSA-N 1 3 239.363 0.569 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CNCCC2(F)F)C1 ZINC000876864195 590251234 /nfs/dbraw/zinc/25/12/34/590251234.db2.gz LCHSZDXUFSFUSL-DTWKUNHWSA-N 1 3 245.273 0.147 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000876865176 590251493 /nfs/dbraw/zinc/25/14/93/590251493.db2.gz VAJCRGLXCFBIES-JGVFFNPUSA-N 1 3 235.278 0.098 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925080 590257845 /nfs/dbraw/zinc/25/78/45/590257845.db2.gz SXRVUEYNECVTAT-CMPLNLGQSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877081423 590279785 /nfs/dbraw/zinc/27/97/85/590279785.db2.gz AWRGAOXEDCFLNT-AXFHLTTASA-N 1 3 239.363 0.570 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877081474 590280116 /nfs/dbraw/zinc/28/01/16/590280116.db2.gz CGNIGQKYXLSANW-GARJFASQSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000877095025 590282112 /nfs/dbraw/zinc/28/21/12/590282112.db2.gz GTVNNLALYVQYMY-JQWIXIFHSA-N 1 3 235.331 0.362 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000877095224 590282186 /nfs/dbraw/zinc/28/21/86/590282186.db2.gz JBAVNWVNDCUHKK-JTQLQIEISA-N 1 3 247.342 0.288 20 0 BCADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877102505 590283830 /nfs/dbraw/zinc/28/38/30/590283830.db2.gz JDSBDKKDOLGIBG-SECBINFHSA-N 1 3 201.314 0.132 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000877102677 590283860 /nfs/dbraw/zinc/28/38/60/590283860.db2.gz LAORDQKEHWPHND-MXWKQRLJSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103646 590284206 /nfs/dbraw/zinc/28/42/06/590284206.db2.gz XCSFCZPOAAGHLI-YIZRAAEISA-N 1 3 201.314 0.165 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103923 590284246 /nfs/dbraw/zinc/28/42/46/590284246.db2.gz WUNAYMQSOVPWBY-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103920 590284366 /nfs/dbraw/zinc/28/43/66/590284366.db2.gz WUNAYMQSOVPWBY-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000877105348 590284945 /nfs/dbraw/zinc/28/49/45/590284945.db2.gz OJPXFDFXZRFBKG-GWCFXTLKSA-N 1 3 247.342 0.679 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877126407 590289895 /nfs/dbraw/zinc/28/98/95/590289895.db2.gz JYTCGFGTMUGHAL-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO CCNCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877128097 590290109 /nfs/dbraw/zinc/29/01/09/590290109.db2.gz DDFYXKGLPSHMKZ-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877152659 590292637 /nfs/dbraw/zinc/29/26/37/590292637.db2.gz PICQIBZYKKLZRB-GHMZBOCLSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877152660 590292639 /nfs/dbraw/zinc/29/26/39/590292639.db2.gz PICQIBZYKKLZRB-WDEREUQCSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(CN)c1 ZINC000877174119 590296534 /nfs/dbraw/zinc/29/65/34/590296534.db2.gz AOPLNSMQNWFDSE-CABZTGNLSA-N 1 3 233.315 0.707 20 0 BCADHO N[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)C1CCC1 ZINC000877185495 590298461 /nfs/dbraw/zinc/29/84/61/590298461.db2.gz CDOIQHIBEUSVGV-QWKFWESOSA-N 1 3 237.347 0.596 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192039 590298906 /nfs/dbraw/zinc/29/89/06/590298906.db2.gz ISAWZZBUGSIZHL-RUETXSTFSA-N 1 3 239.363 0.842 20 0 BCADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCCCN1 ZINC000877191714 590298937 /nfs/dbraw/zinc/29/89/37/590298937.db2.gz CKCZYRQFWXFPLO-AKJDGMEZSA-N 1 3 237.347 0.611 20 0 BCADHO CCNCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877248936 590301623 /nfs/dbraw/zinc/30/16/23/590301623.db2.gz GJJSLFAKVADMHI-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CCNCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877248936 590301621 /nfs/dbraw/zinc/30/16/21/590301621.db2.gz GJJSLFAKVADMHI-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243406 590302505 /nfs/dbraw/zinc/30/25/05/590302505.db2.gz KHTREEAJRYFYES-NAKRPEOUSA-N 1 3 225.336 0.228 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243416 590302807 /nfs/dbraw/zinc/30/28/07/590302807.db2.gz KTZXTHSRUFOCEY-DCAQKATOSA-N 1 3 239.363 0.618 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCCC1 ZINC000877244873 590302993 /nfs/dbraw/zinc/30/29/93/590302993.db2.gz SUIJUTYOLJJVAZ-AOOOYVTPSA-N 1 3 225.336 0.502 20 0 BCADHO C[C@H](NC(=O)[C@@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000877255009 590304335 /nfs/dbraw/zinc/30/43/35/590304335.db2.gz MIPGHIAZEJOFIE-JQWIXIFHSA-N 1 3 239.363 0.633 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272292 590305645 /nfs/dbraw/zinc/30/56/45/590305645.db2.gz HIVBKTAJHCAEEU-OUAUKWLOSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877284752 590306802 /nfs/dbraw/zinc/30/68/02/590306802.db2.gz VZKKAZGWQUVWQI-VXGBXAGGSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877288473 590307348 /nfs/dbraw/zinc/30/73/48/590307348.db2.gz PFBNTBFCBQXQAY-GUBZILKMSA-N 1 3 211.309 0.077 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877340022 590317771 /nfs/dbraw/zinc/31/77/71/590317771.db2.gz ITLLYVXJNOCFFL-GXFFZTMASA-N 1 3 247.342 0.425 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877342830 590318285 /nfs/dbraw/zinc/31/82/85/590318285.db2.gz FWWKABKVOPGZFB-MFKMUULPSA-N 1 3 247.342 0.412 20 0 BCADHO CC(C)NCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386071 590320463 /nfs/dbraw/zinc/32/04/63/590320463.db2.gz GIJWZIITYRJCPN-JQWIXIFHSA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)N(C)C ZINC000877385548 590320695 /nfs/dbraw/zinc/32/06/95/590320695.db2.gz LKKPMCXKCLWWSR-NTZNESFSSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386073 590321075 /nfs/dbraw/zinc/32/10/75/590321075.db2.gz GIJWZIITYRJCPN-PWSUYJOCSA-N 1 3 225.336 0.385 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393150 590322050 /nfs/dbraw/zinc/32/20/50/590322050.db2.gz WDASVUHAHSVEIA-CWSCBRNRSA-N 1 3 237.347 0.385 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391082 590322114 /nfs/dbraw/zinc/32/21/14/590322114.db2.gz MLQBBYSAXATDDX-VHSKPIJISA-N 1 3 247.289 0.370 20 0 BCADHO CCN(CC)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391489 590322329 /nfs/dbraw/zinc/32/23/29/590322329.db2.gz NZERPMMRIICRPQ-YPMHNXCESA-N 1 3 239.363 0.729 20 0 BCADHO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@]1(F)CCNC1 ZINC000877398013 590323083 /nfs/dbraw/zinc/32/30/83/590323083.db2.gz ADZDIPSELRNMJN-JLLWLGSASA-N 1 3 241.310 0.089 20 0 BCADHO CC[C@H](N)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399271 590323342 /nfs/dbraw/zinc/32/33/42/590323342.db2.gz LVNOLGBWUGXOLR-QXEWZRGKSA-N 1 3 211.309 0.125 20 0 BCADHO NCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401696 590323789 /nfs/dbraw/zinc/32/37/89/590323789.db2.gz MPALGAYTUHULHV-JTQLQIEISA-N 1 3 225.336 0.374 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)[C@H]1NCC1(C)C ZINC000877438097 590328111 /nfs/dbraw/zinc/32/81/11/590328111.db2.gz JLWJTBQDCRCQIS-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580011 590816903 /nfs/dbraw/zinc/81/69/03/590816903.db2.gz DCFGUYSDARTESU-UTUOFQBUSA-N 1 3 244.404 0.736 20 0 BCADHO CSC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580011 590816905 /nfs/dbraw/zinc/81/69/05/590816905.db2.gz DCFGUYSDARTESU-UTUOFQBUSA-N 1 3 244.404 0.736 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132930 590935216 /nfs/dbraw/zinc/93/52/16/590935216.db2.gz RDMGQQYBVDBKOD-NEPJUHHUSA-N 1 3 239.363 0.633 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880132930 590935221 /nfs/dbraw/zinc/93/52/21/590935221.db2.gz RDMGQQYBVDBKOD-NEPJUHHUSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)C[C@@H](C(N)=O)N(C)CC1CC[NH2+]CC1 ZINC000883414688 591652625 /nfs/dbraw/zinc/65/26/25/591652625.db2.gz CYMYBALNPICMPT-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883430075 591661609 /nfs/dbraw/zinc/66/16/09/591661609.db2.gz MQNXUJJOCGMWQV-LDMBFOFVSA-N 1 3 229.343 0.663 20 0 BCADHO CC1(C)[C@H](NCCN2CCOC2=O)C[C@@H]1[NH3+] ZINC000883441146 591668554 /nfs/dbraw/zinc/66/85/54/591668554.db2.gz IHBCNQUQGPUWIO-DTWKUNHWSA-N 1 3 227.308 0.154 20 0 BCADHO CC1(C)[C@H]([NH2+]CCN2CCOC2=O)C[C@@H]1N ZINC000883441146 591668557 /nfs/dbraw/zinc/66/85/57/591668557.db2.gz IHBCNQUQGPUWIO-DTWKUNHWSA-N 1 3 227.308 0.154 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883441221 591668804 /nfs/dbraw/zinc/66/88/04/591668804.db2.gz KCBUACNVPLZROE-XKNYDFJKSA-N 1 3 215.316 0.402 20 0 BCADHO C[C@H]1CN(CC[NH3+])CCN1c1ccncc1 ZINC000883447486 591671510 /nfs/dbraw/zinc/67/15/10/591671510.db2.gz CWBQCJBRTRGRQO-NSHDSACASA-N 1 3 220.320 0.551 20 0 BCADHO CN(C[C@H]1CNCCO1)C1(C[NH3+])CCCCC1 ZINC000883455179 591672996 /nfs/dbraw/zinc/67/29/96/591672996.db2.gz WDDZIQUEOBFHKP-GFCCVEGCSA-N 1 3 241.379 0.568 20 0 BCADHO CO[C@@H]1COCC[C@H]1N(C)C[C@@H]1CC[NH2+]C1 ZINC000883461028 591673776 /nfs/dbraw/zinc/67/37/76/591673776.db2.gz MKYYDODJZWPLHJ-IJLUTSLNSA-N 1 3 228.336 0.332 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132889253 591745272 /nfs/dbraw/zinc/74/52/72/591745272.db2.gz ILURUOMDZPQLPV-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132889253 591745277 /nfs/dbraw/zinc/74/52/77/591745277.db2.gz ILURUOMDZPQLPV-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132888460 591745595 /nfs/dbraw/zinc/74/55/95/591745595.db2.gz LFCLZMVLVCROBQ-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132888460 591745596 /nfs/dbraw/zinc/74/55/96/591745596.db2.gz LFCLZMVLVCROBQ-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](NC(=O)[C@H](N)CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000884019411 591800779 /nfs/dbraw/zinc/80/07/79/591800779.db2.gz SLEWWYWVIGUMLP-ZMLRMANQSA-N 1 3 239.363 0.618 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884021511 591802392 /nfs/dbraw/zinc/80/23/92/591802392.db2.gz CXLGTRQDXGRGPE-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884021509 591802795 /nfs/dbraw/zinc/80/27/95/591802795.db2.gz CXLGTRQDXGRGPE-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884026629 591809297 /nfs/dbraw/zinc/80/92/97/591809297.db2.gz IGWWIRCWJHDMKB-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026744 591809873 /nfs/dbraw/zinc/80/98/73/591809873.db2.gz KVLHBHKUHJJJNI-WDEREUQCSA-N 1 3 225.336 0.230 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000884028514 591813006 /nfs/dbraw/zinc/81/30/06/591813006.db2.gz JCPTVOZWCUAEDH-GFCCVEGCSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000884028515 591813084 /nfs/dbraw/zinc/81/30/84/591813084.db2.gz JCPTVOZWCUAEDH-LBPRGKRZSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@](C[NH3+])(NC(=O)[C@H](N)CC1CC1)C1CC1 ZINC000884031459 591815591 /nfs/dbraw/zinc/81/55/91/591815591.db2.gz PRVZAWZIIPIMTM-PWSUYJOCSA-N 1 3 225.336 0.357 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884032785 591815862 /nfs/dbraw/zinc/81/58/62/591815862.db2.gz BQFJPRONMRNQMP-QWRGUYRKSA-N 1 3 227.352 0.603 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)[C@@H]1C[NH3+] ZINC000884034405 591816156 /nfs/dbraw/zinc/81/61/56/591816156.db2.gz DGUOMRYFKIJPLJ-YUSALJHKSA-N 1 3 239.363 0.700 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884039007 591820748 /nfs/dbraw/zinc/82/07/48/591820748.db2.gz BCXHFPNLVJLEGN-WOPDTQHZSA-N 1 3 237.347 0.467 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CC1CC1 ZINC000884040295 591821804 /nfs/dbraw/zinc/82/18/04/591821804.db2.gz PPOYANUCKZDWAS-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H](N)CC2CC2)C1 ZINC000884227646 591875198 /nfs/dbraw/zinc/87/51/98/591875198.db2.gz VARWXFITIACMSP-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](N)CC2CC2)C1 ZINC000884227646 591875201 /nfs/dbraw/zinc/87/52/01/591875201.db2.gz VARWXFITIACMSP-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CCN1 ZINC000884266728 591888088 /nfs/dbraw/zinc/88/80/88/591888088.db2.gz GGSGBJAYOGMEIA-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000884272633 591889431 /nfs/dbraw/zinc/88/94/31/591889431.db2.gz ZPVIZVCUBVYEOD-UTUOFQBUSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)CC[NH2+]1 ZINC000884274744 591889575 /nfs/dbraw/zinc/88/95/75/591889575.db2.gz UDVYMFMFYDOWGF-FBIMIBRVSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884271747 591889733 /nfs/dbraw/zinc/88/97/33/591889733.db2.gz JXOPJEQKLKFCGY-HBNTYKKESA-N 1 3 239.363 0.441 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](N)CC1CC1 ZINC000884282424 591893829 /nfs/dbraw/zinc/89/38/29/591893829.db2.gz HNRXMGQCCOMLGW-DCAQKATOSA-N 1 3 243.326 0.272 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884287021 591895134 /nfs/dbraw/zinc/89/51/34/591895134.db2.gz QVXZRIPMQOXKGT-MNOVXSKESA-N 1 3 243.351 0.080 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C[C@H]1C[NH3+] ZINC000884341333 591906804 /nfs/dbraw/zinc/90/68/04/591906804.db2.gz WSAFQPHEDXRSFV-JLLWLGSASA-N 1 3 239.363 0.557 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884347217 591908983 /nfs/dbraw/zinc/90/89/83/591908983.db2.gz MQWJDDDTUMTBDQ-SECBINFHSA-N 1 3 213.325 0.357 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000884348083 591910097 /nfs/dbraw/zinc/91/00/97/591910097.db2.gz NSOGEQMIICIYBJ-GUBZILKMSA-N 1 3 225.336 0.371 20 0 BCADHO CC1(C)[C@H](NC(=O)[C@H]2CCCCN2)C[C@@H]1[NH3+] ZINC000884348085 591910133 /nfs/dbraw/zinc/91/01/33/591910133.db2.gz NSOGEQMIICIYBJ-KXUCPTDWSA-N 1 3 225.336 0.371 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884357770 591913098 /nfs/dbraw/zinc/91/30/98/591913098.db2.gz FCKCSHFOVVJQLH-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360310 591913899 /nfs/dbraw/zinc/91/38/99/591913899.db2.gz YFAZLZIPFJOPCK-HRDYMLBCSA-N 1 3 213.325 0.212 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCCCCCC[NH3+] ZINC000884375740 591920079 /nfs/dbraw/zinc/92/00/79/591920079.db2.gz KGFMMVNVCBUPLV-LLVKDONJSA-N 1 3 227.352 0.749 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000884375656 591920087 /nfs/dbraw/zinc/92/00/87/591920087.db2.gz HNOMODOUZZCQAV-ZDUSSCGKSA-N 1 3 247.342 0.889 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000884426878 591930544 /nfs/dbraw/zinc/93/05/44/591930544.db2.gz XOYSOYSLRPKGOL-LOWVWBTDSA-N 1 3 237.347 0.454 20 0 BCADHO CN(CCC1CC[NH2+]CC1)CC(=O)NC1CC1 ZINC000134490578 591931960 /nfs/dbraw/zinc/93/19/60/591931960.db2.gz NTOGGCHCCJQFRO-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464483 591942125 /nfs/dbraw/zinc/94/21/25/591942125.db2.gz QTKABNYDNQCXSE-NSHDSACASA-N 1 3 239.363 0.892 20 0 BCADHO Cc1cc(NCCN(C)CCO)cc[nH+]1 ZINC000884825312 592023565 /nfs/dbraw/zinc/02/35/65/592023565.db2.gz PSBJZBMYNWGALS-UHFFFAOYSA-N 1 3 209.293 0.148 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000137801495 592222488 /nfs/dbraw/zinc/22/24/88/592222488.db2.gz VLIQUERDMKELIH-JTQLQIEISA-N 1 3 215.341 0.605 20 0 BCADHO NC[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886826979 592348458 /nfs/dbraw/zinc/34/84/58/592348458.db2.gz BBOOSSBZJZEEJZ-QJPTWQEYSA-N 1 3 210.321 0.694 20 0 BCADHO NC[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886826979 592348462 /nfs/dbraw/zinc/34/84/62/592348462.db2.gz BBOOSSBZJZEEJZ-QJPTWQEYSA-N 1 3 210.321 0.694 20 0 BCADHO NC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886826980 592348664 /nfs/dbraw/zinc/34/86/64/592348664.db2.gz BBOOSSBZJZEEJZ-SDDRHHMPSA-N 1 3 210.321 0.694 20 0 BCADHO NC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886826980 592348670 /nfs/dbraw/zinc/34/86/70/592348670.db2.gz BBOOSSBZJZEEJZ-SDDRHHMPSA-N 1 3 210.321 0.694 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1C[C@]12CCOC2 ZINC000886840330 592360320 /nfs/dbraw/zinc/36/03/20/592360320.db2.gz ZEXRCWRUUPSTOG-USZNOCQGSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)CCCO1 ZINC000886839916 592361719 /nfs/dbraw/zinc/36/17/19/592361719.db2.gz OPCWVGPRIMSHBO-YNEHKIRRSA-N 1 3 240.347 0.463 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1C[C@@]12CCOC2 ZINC000886841376 592362107 /nfs/dbraw/zinc/36/21/07/592362107.db2.gz JLPSCWLKLLQGJK-WISYIIOYSA-N 1 3 210.321 0.835 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859970 592371809 /nfs/dbraw/zinc/37/18/09/592371809.db2.gz MDDJTPFFENTYKB-UPJWGTAASA-N 1 3 242.363 0.458 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859970 592371815 /nfs/dbraw/zinc/37/18/15/592371815.db2.gz MDDJTPFFENTYKB-UPJWGTAASA-N 1 3 242.363 0.458 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886859970 592371820 /nfs/dbraw/zinc/37/18/20/592371820.db2.gz MDDJTPFFENTYKB-UPJWGTAASA-N 1 3 242.363 0.458 20 0 BCADHO CC[C@H](C)[C@H]([NH2+]CC[C@@H]1CCCN1C)C(N)=O ZINC000887057480 592434124 /nfs/dbraw/zinc/43/41/24/592434124.db2.gz HTLDXMWJUIUGCF-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H]([NH2+]CC[C@H]1CCCN1C)C(N)=O ZINC000887057481 592434144 /nfs/dbraw/zinc/43/41/44/592434144.db2.gz HTLDXMWJUIUGCF-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CNC(=[NH2+])NCC(F)F)N1CCCC1 ZINC000887348788 592484867 /nfs/dbraw/zinc/48/48/67/592484867.db2.gz XMHFLGDKVPKFLN-MRVPVSSYSA-N 1 3 234.294 0.850 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000302695370 592552772 /nfs/dbraw/zinc/55/27/72/592552772.db2.gz UKKQJSQPUSYBQH-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027070471 634435963 /nfs/dbraw/zinc/43/59/63/634435963.db2.gz RRRGQPNZPMBAHV-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CN1CCC[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925719417 634456845 /nfs/dbraw/zinc/45/68/45/634456845.db2.gz ROQLVSUIIVTNCU-SNIKSBKOSA-N 1 3 235.375 0.667 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335642040 634502978 /nfs/dbraw/zinc/50/29/78/634502978.db2.gz XZJQBSGBCPBACG-ONGXEEELSA-N 1 3 211.309 0.078 20 0 BCADHO N[C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638357 634505001 /nfs/dbraw/zinc/50/50/01/634505001.db2.gz KGHJXGZJWAVPED-YPMHNXCESA-N 1 3 237.347 0.468 20 0 BCADHO CN1CC[C@@H](c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000258031206 634548667 /nfs/dbraw/zinc/54/86/67/634548667.db2.gz NVVWALHHVDJKHT-SNVBAGLBSA-N 1 3 236.319 0.956 20 0 BCADHO COC[C@H](N[C@H](C)C1C[NH2+]C1)[C@@H]1CCCOC1 ZINC000925777832 635260620 /nfs/dbraw/zinc/26/06/20/635260620.db2.gz HJPLSCDAVSIIIZ-WZRBSPASSA-N 1 3 242.363 0.626 20 0 BCADHO C[C@H](NCCO[C@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925874401 635596585 /nfs/dbraw/zinc/59/65/85/635596585.db2.gz JIZFZAQIGIYQPT-AVGNSLFASA-N 1 3 242.363 0.770 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000925888917 635614969 /nfs/dbraw/zinc/61/49/69/635614969.db2.gz HCHGEHSXYVAZRL-CKYFFXLPSA-N 1 3 238.335 0.313 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000083367381 631423289 /nfs/dbraw/zinc/42/32/89/631423289.db2.gz ZIHBCIXEAHSLAX-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000083367381 631423294 /nfs/dbraw/zinc/42/32/94/631423294.db2.gz ZIHBCIXEAHSLAX-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CCCS(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000085869718 631464392 /nfs/dbraw/zinc/46/43/92/631464392.db2.gz ZDKCOMMDMOXPKV-UHFFFAOYSA-N 1 3 248.392 0.623 20 0 BCADHO CN1C[C@@H]2C[N@H+](CCn3cncn3)C[C@]2(C)C1 ZINC000933734692 631495728 /nfs/dbraw/zinc/49/57/28/631495728.db2.gz VMQVLFQAEHCNNV-NEPJUHHUSA-N 1 3 235.335 0.162 20 0 BCADHO CN1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@]2(C)C1 ZINC000933734692 631495734 /nfs/dbraw/zinc/49/57/34/631495734.db2.gz VMQVLFQAEHCNNV-NEPJUHHUSA-N 1 3 235.335 0.162 20 0 BCADHO CN(CC[C@@H]1CCC[NH2+]C1)CC(=O)NC1CC1 ZINC000051919351 632012419 /nfs/dbraw/zinc/01/24/19/632012419.db2.gz FWEJMTNQFMLRTG-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427044 632031179 /nfs/dbraw/zinc/03/11/79/632031179.db2.gz SOCKGYZJVDUXMY-NSHDSACASA-N 1 3 236.319 0.505 20 0 BCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427044 632031184 /nfs/dbraw/zinc/03/11/84/632031184.db2.gz SOCKGYZJVDUXMY-NSHDSACASA-N 1 3 236.319 0.505 20 0 BCADHO CC(C)CNC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251523460 635704971 /nfs/dbraw/zinc/70/49/71/635704971.db2.gz AANNFPAGAOUKDM-NEPJUHHUSA-N 1 3 241.379 0.675 20 0 BCADHO CC[C@H](C)NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251941069 635707529 /nfs/dbraw/zinc/70/75/29/635707529.db2.gz SMCCBDBBJSPTQV-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310287374 632714319 /nfs/dbraw/zinc/71/43/19/632714319.db2.gz YCXUBYRMPXAIMJ-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310287374 632714322 /nfs/dbraw/zinc/71/43/22/632714322.db2.gz YCXUBYRMPXAIMJ-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO CCNC(=[NH2+])NCCN1CCCCCC1 ZINC000052043197 632782211 /nfs/dbraw/zinc/78/22/11/632782211.db2.gz VONCLMRIWJENDF-UHFFFAOYSA-N 1 3 212.341 0.996 20 0 BCADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOC ZINC000066244979 632860064 /nfs/dbraw/zinc/86/00/64/632860064.db2.gz HZSFGNOHIBUONF-JTQLQIEISA-N 1 3 228.340 0.021 20 0 BCADHO C[C@@H](CCNc1ccncc1CO)[NH+](C)C ZINC000894520525 635903310 /nfs/dbraw/zinc/90/33/10/635903310.db2.gz BEHMFNBWCIBSIE-JTQLQIEISA-N 1 3 223.320 0.748 20 0 BCADHO C[C@@H]1CN(CC(=O)NCC2CC2)CC[C@@H]1C[NH3+] ZINC000122303327 633206377 /nfs/dbraw/zinc/20/63/77/633206377.db2.gz KQKFVCSHRANLGP-ZYHUDNBSSA-N 1 3 239.363 0.429 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000310135447 636005610 /nfs/dbraw/zinc/00/56/10/636005610.db2.gz BJXDTNWMZGYWDA-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000310135447 636005614 /nfs/dbraw/zinc/00/56/14/636005614.db2.gz BJXDTNWMZGYWDA-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774863 633791426 /nfs/dbraw/zinc/79/14/26/633791426.db2.gz LKOCTKIJZLGOEY-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO C(CN1CCCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925525564 633904503 /nfs/dbraw/zinc/90/45/03/633904503.db2.gz IBMIODYBFLCTRW-ZDUSSCGKSA-N 1 3 241.379 0.440 20 0 BCADHO C[C@@H](NCc1cc(N)ccn1)C1C[NH2+]C1 ZINC000925769157 635192525 /nfs/dbraw/zinc/19/25/25/635192525.db2.gz YRSDMRYEQDBGKM-MRVPVSSYSA-N 1 3 206.293 0.361 20 0 BCADHO CC[C@@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CCOC1 ZINC000925782349 635278358 /nfs/dbraw/zinc/27/83/58/635278358.db2.gz JNOLGCZTRIICAX-DDHJBXDOSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2nnn(C)c2C1 ZINC000925892884 635617682 /nfs/dbraw/zinc/61/76/82/635617682.db2.gz HFFGIBINYQCQLZ-AEJSXWLSSA-N 1 3 237.351 0.388 20 0 BCADHO CC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990279623 636927208 /nfs/dbraw/zinc/92/72/08/636927208.db2.gz XVFDSROCCYHFON-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NCCOCCO)C1 ZINC000902363784 637301172 /nfs/dbraw/zinc/30/11/72/637301172.db2.gz NJXRFPWJGJFUIQ-LLVKDONJSA-N 1 3 230.352 0.363 20 0 BCADHO N[C@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000903551319 637371633 /nfs/dbraw/zinc/37/16/33/637371633.db2.gz FHGVDZOGHXMAHV-GRYCIOLGSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000903551319 637371641 /nfs/dbraw/zinc/37/16/41/637371641.db2.gz FHGVDZOGHXMAHV-GRYCIOLGSA-N 1 3 210.321 0.836 20 0 BCADHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCCOCC1 ZINC000903722926 637380149 /nfs/dbraw/zinc/38/01/49/637380149.db2.gz QQFFHVIADWKXFK-QWHCGFSZSA-N 1 3 240.347 0.477 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)C2(O)CCC2)CC[N@@H+]1C ZINC000905132585 637643421 /nfs/dbraw/zinc/64/34/21/637643421.db2.gz BKGXLTLZPFUMND-IJLUTSLNSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132585 637643426 /nfs/dbraw/zinc/64/34/26/637643426.db2.gz BKGXLTLZPFUMND-IJLUTSLNSA-N 1 3 242.363 0.335 20 0 BCADHO CCO[C@H](CNC[C@@H](O)CC)C[NH+](C)C ZINC000905581074 637854011 /nfs/dbraw/zinc/85/40/11/637854011.db2.gz SHUJHMZDLCOTQS-WDEREUQCSA-N 1 3 218.341 0.314 20 0 BCADHO CCO[C@H](CNC[C@H](O)CC)C[NH+](C)C ZINC000905581069 637854239 /nfs/dbraw/zinc/85/42/39/637854239.db2.gz SHUJHMZDLCOTQS-GHMZBOCLSA-N 1 3 218.341 0.314 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000906091957 638048056 /nfs/dbraw/zinc/04/80/56/638048056.db2.gz QZUDPOONIFWNIC-OUAUKWLOSA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000906092022 638049249 /nfs/dbraw/zinc/04/92/49/638049249.db2.gz SCVXTOXHTFCQNP-OUAUKWLOSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000906092207 638049484 /nfs/dbraw/zinc/04/94/84/638049484.db2.gz UYIOECQVOJPVTM-SDDRHHMPSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000906091955 638049688 /nfs/dbraw/zinc/04/96/88/638049688.db2.gz QZUDPOONIFWNIC-GMTAPVOTSA-N 1 3 227.352 0.746 20 0 BCADHO CN(CC(=O)N1CC(C[NH+](C)C)C1)C1CCC1 ZINC000908532904 639005175 /nfs/dbraw/zinc/00/51/75/639005175.db2.gz ILXCVAKXJITPIQ-UHFFFAOYSA-N 1 3 239.363 0.491 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911619483 639682818 /nfs/dbraw/zinc/68/28/18/639682818.db2.gz IYONNGIUEHHUFW-GXSJLCMTSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672398 639698994 /nfs/dbraw/zinc/69/89/94/639698994.db2.gz DNNVXMWGYUINPT-HBNTYKKESA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698801 639734085 /nfs/dbraw/zinc/73/40/85/639734085.db2.gz KRARGMRKEVKKHC-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO CN1CCN(C(=O)[C@H]2CC[NH2+]2)CCC1(C)C ZINC000712620395 711473960 /nfs/dbraw/zinc/47/39/60/711473960.db2.gz YWPSHPPKXCKYMV-SNVBAGLBSA-N 1 3 225.336 0.291 20 0 BCADHO N[C@H](C(=O)N[C@H]1CC[NH2+]C1)C1CCCCCC1 ZINC000911698859 639733355 /nfs/dbraw/zinc/73/33/55/639733355.db2.gz LUXZFGFFASGMFO-RYUDHWBXSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750980 639778164 /nfs/dbraw/zinc/77/81/64/639778164.db2.gz HJUDXEBLCVRYIG-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786355 639804434 /nfs/dbraw/zinc/80/44/34/639804434.db2.gz AIFZQRGEVSZBDF-RYUDHWBXSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000035663371 639811075 /nfs/dbraw/zinc/81/10/75/639811075.db2.gz MIGYCXIDUDGFHM-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911832228 639843730 /nfs/dbraw/zinc/84/37/30/639843730.db2.gz GXLLIMWDFRRMFJ-LSJOCFKGSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)(C)[C@H]([NH3+])CC(=O)N1CCNCC1(C)C ZINC000911847792 639857117 /nfs/dbraw/zinc/85/71/17/639857117.db2.gz QENQBNNTNZBGRQ-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](CO)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931441448 640205488 /nfs/dbraw/zinc/20/54/88/640205488.db2.gz IOXUHLZJUHVLOF-TUAOUCFPSA-N 1 3 212.337 0.641 20 0 BCADHO CC[C@@H](CO)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931441448 640205495 /nfs/dbraw/zinc/20/54/95/640205495.db2.gz IOXUHLZJUHVLOF-TUAOUCFPSA-N 1 3 212.337 0.641 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443439 640207076 /nfs/dbraw/zinc/20/70/76/640207076.db2.gz XTDULUBMCBXQQF-JFGNBEQYSA-N 1 3 248.317 0.886 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443439 640207079 /nfs/dbraw/zinc/20/70/79/640207079.db2.gz XTDULUBMCBXQQF-JFGNBEQYSA-N 1 3 248.317 0.886 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726828 640463034 /nfs/dbraw/zinc/46/30/34/640463034.db2.gz IEFITJFYOJKWMI-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO CCN(CCC(N)=O)CC[C@@H]1CCC[N@@H+]1C ZINC000932478697 640544500 /nfs/dbraw/zinc/54/45/00/640544500.db2.gz KIOYEKTZYXVIOM-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CCN(CCC(N)=O)CC[C@@H]1CCC[N@H+]1C ZINC000932478697 640544507 /nfs/dbraw/zinc/54/45/07/640544507.db2.gz KIOYEKTZYXVIOM-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CNC(=O)CCCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735009 640759285 /nfs/dbraw/zinc/75/92/85/640759285.db2.gz ZXEQIYZPKSSMGX-WCQYABFASA-N 1 3 239.363 0.396 20 0 BCADHO CNC(=O)CCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735009 640759279 /nfs/dbraw/zinc/75/92/79/640759279.db2.gz ZXEQIYZPKSSMGX-WCQYABFASA-N 1 3 239.363 0.396 20 0 BCADHO CN1CCN(C[C@H]2CCC[NH2+]2)CC1(C)C ZINC000227649609 640844219 /nfs/dbraw/zinc/84/42/19/640844219.db2.gz YYXILKXXTQBKJF-LLVKDONJSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000929848472 641763319 /nfs/dbraw/zinc/76/33/19/641763319.db2.gz SJVWFSQPQMNIHD-WUHRBBMRSA-N 1 3 242.363 0.144 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000929848472 641763325 /nfs/dbraw/zinc/76/33/25/641763325.db2.gz SJVWFSQPQMNIHD-WUHRBBMRSA-N 1 3 242.363 0.144 20 0 BCADHO CCC[N@H+](C[C@H](O)COC)C1CCNCC1 ZINC000068892316 642383193 /nfs/dbraw/zinc/38/31/93/642383193.db2.gz QGDIXQJASDTVTE-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CCC[N@@H+](C[C@H](O)COC)C1CCNCC1 ZINC000068892316 642383201 /nfs/dbraw/zinc/38/32/01/642383201.db2.gz QGDIXQJASDTVTE-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCCN(C)C1 ZINC000891403536 642484025 /nfs/dbraw/zinc/48/40/25/642484025.db2.gz SFVKWVMZGDKEIH-MXWKQRLJSA-N 1 3 240.351 0.212 20 0 BCADHO CN1CCC[C@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891403429 642484915 /nfs/dbraw/zinc/48/49/15/642484915.db2.gz PVHWVUPVUWNLOF-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018617438 643003958 /nfs/dbraw/zinc/00/39/58/643003958.db2.gz VCQBMNOFVGHHSZ-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CCN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948471 643094186 /nfs/dbraw/zinc/09/41/86/643094186.db2.gz BZXPLGOIMVEUCX-UHFFFAOYSA-N 1 3 239.363 0.396 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)N(C)C ZINC000969986430 643263100 /nfs/dbraw/zinc/26/31/00/643263100.db2.gz ZDTZLPSZFGUMAL-MNOVXSKESA-N 1 3 245.342 0.487 20 0 BCADHO C[NH2+]CC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000082681388 643366701 /nfs/dbraw/zinc/36/67/01/643366701.db2.gz PDISPTKMNJBUGA-SECBINFHSA-N 1 3 240.269 0.841 20 0 BCADHO CCOC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000068953518 643437299 /nfs/dbraw/zinc/43/72/99/643437299.db2.gz CISVCRYDICWQSD-GHMZBOCLSA-N 1 3 216.325 0.055 20 0 BCADHO Cc1cc(NC2CC[NH+](C)CC2)nc(N)n1 ZINC000045724681 643559843 /nfs/dbraw/zinc/55/98/43/643559843.db2.gz GOORMMRDGOWJOE-UHFFFAOYSA-N 1 3 221.308 0.873 20 0 BCADHO CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001000228384 643760265 /nfs/dbraw/zinc/76/02/65/643760265.db2.gz SJGZFNNJDABBBA-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCO ZINC000086500851 644145284 /nfs/dbraw/zinc/14/52/84/644145284.db2.gz YPODRGLJQTVOGU-MNOVXSKESA-N 1 3 200.326 0.879 20 0 BCADHO OC[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000923004480 644227929 /nfs/dbraw/zinc/22/79/29/644227929.db2.gz FDZIICJRLYUAJT-ZDEQEGDKSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000923004480 644227934 /nfs/dbraw/zinc/22/79/34/644227934.db2.gz FDZIICJRLYUAJT-ZDEQEGDKSA-N 1 3 224.348 0.974 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000923279168 644312559 /nfs/dbraw/zinc/31/25/59/644312559.db2.gz GWWNIUQPNKRFBA-GMTAPVOTSA-N 1 3 232.393 0.912 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000923279168 644312566 /nfs/dbraw/zinc/31/25/66/644312566.db2.gz GWWNIUQPNKRFBA-GMTAPVOTSA-N 1 3 232.393 0.912 20 0 BCADHO CCOCCOCCN1CC[C@H](C[NH3+])C1 ZINC000923282518 644318088 /nfs/dbraw/zinc/31/80/88/644318088.db2.gz VIHRAFXXOPFGHY-LLVKDONJSA-N 1 3 216.325 0.320 20 0 BCADHO CC(C)COC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923295710 644331239 /nfs/dbraw/zinc/33/12/39/644331239.db2.gz FJZAZJQWVWATPR-STQMWFEESA-N 1 3 246.395 0.983 20 0 BCADHO CC(C)COC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923295364 644333145 /nfs/dbraw/zinc/33/31/45/644333145.db2.gz YWWBMPALEMOPCD-LBPRGKRZSA-N 1 3 246.395 0.937 20 0 BCADHO CCOC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296670 644334479 /nfs/dbraw/zinc/33/44/79/644334479.db2.gz VOYBAHNSMPMNGA-MNOVXSKESA-N 1 3 216.325 0.101 20 0 BCADHO CC(C)OC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296035 644335448 /nfs/dbraw/zinc/33/54/48/644335448.db2.gz NLIMHIFEVXZPOW-VXGBXAGGSA-N 1 3 232.368 0.735 20 0 BCADHO CCOC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296671 644335686 /nfs/dbraw/zinc/33/56/86/644335686.db2.gz VOYBAHNSMPMNGA-QWRGUYRKSA-N 1 3 216.325 0.101 20 0 BCADHO C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCSCC1 ZINC000923301010 644336994 /nfs/dbraw/zinc/33/69/94/644336994.db2.gz NHQPTOADYPJOHA-JTQLQIEISA-N 1 3 228.361 0.414 20 0 BCADHO C[C@@H]1CSCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315291 644342994 /nfs/dbraw/zinc/34/29/94/644342994.db2.gz FWHFWNPRZMMCTG-MNOVXSKESA-N 1 3 242.388 0.802 20 0 BCADHO C[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)S1 ZINC000923309254 644345694 /nfs/dbraw/zinc/34/56/94/644345694.db2.gz OPHUHLKFLCJSOE-SSRBZLIGSA-N 1 3 230.377 0.663 20 0 BCADHO CCOCCOCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923330423 644350532 /nfs/dbraw/zinc/35/05/32/644350532.db2.gz FDGUIVMZLUIRRA-NWDGAFQWSA-N 1 3 230.352 0.709 20 0 BCADHO CCN(C[C@@H](O)COC)[C@H]1CCC[NH2+]CC1 ZINC000923336548 644356285 /nfs/dbraw/zinc/35/62/85/644356285.db2.gz UPAGZVHYKBUJSU-NWDGAFQWSA-N 1 3 230.352 0.458 20 0 BCADHO CCOC[C@H](O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000923336169 644357440 /nfs/dbraw/zinc/35/74/40/644357440.db2.gz QXUKSJMTTMFRKX-QWHCGFSZSA-N 1 3 244.379 0.848 20 0 BCADHO CC[C@@H]1CN(C[C@H](O)CSC)CC[C@H]1[NH3+] ZINC000923344320 644364751 /nfs/dbraw/zinc/36/47/51/644364751.db2.gz GHMBKYPGYNUVCM-OUAUKWLOSA-N 1 3 232.393 0.770 20 0 BCADHO CCOCC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923357679 644366390 /nfs/dbraw/zinc/36/63/90/644366390.db2.gz ZWCSCAWZYUGUBM-NEPJUHHUSA-N 1 3 230.352 0.445 20 0 BCADHO NCC(C[NH3+])NCc1ncccc1C(F)(F)F ZINC000923354417 644369022 /nfs/dbraw/zinc/36/90/22/644369022.db2.gz NDOMPJPSRCQMDB-UHFFFAOYSA-N 1 3 248.252 0.476 20 0 BCADHO COc1ccc(Cl)c(CNC(CN)C[NH3+])c1 ZINC000923353850 644369119 /nfs/dbraw/zinc/36/91/19/644369119.db2.gz CMOOCALJUSCLFA-UHFFFAOYSA-N 1 3 243.738 0.724 20 0 BCADHO COCc1cccc(CNC(CN)C[NH3+])c1 ZINC000923359055 644369419 /nfs/dbraw/zinc/36/94/19/644369419.db2.gz KLBVGKCDZIUEEU-UHFFFAOYSA-N 1 3 223.320 0.209 20 0 BCADHO COc1cccc(CCC[NH2+]C(CN)CN)c1 ZINC000923352211 644369502 /nfs/dbraw/zinc/36/95/02/644369502.db2.gz RGCGLMJRQBFSSW-UHFFFAOYSA-N 1 3 237.347 0.503 20 0 BCADHO CSC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923355102 644371483 /nfs/dbraw/zinc/37/14/83/644371483.db2.gz GSSSWCWRQOEIQZ-UWVGGRQHSA-N 1 3 218.366 0.381 20 0 BCADHO CSC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923355101 644372340 /nfs/dbraw/zinc/37/23/40/644372340.db2.gz GSSSWCWRQOEIQZ-NXEZZACHSA-N 1 3 218.366 0.381 20 0 BCADHO CCOCC[C@@H](O)CN(C)C1CC([NH3+])C1 ZINC000923363313 644375292 /nfs/dbraw/zinc/37/52/92/644375292.db2.gz RNSCQGMWABEBLD-VQXHTEKXSA-N 1 3 216.325 0.195 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCO[C@@H]1CCOC1 ZINC000923368234 644380484 /nfs/dbraw/zinc/38/04/84/644380484.db2.gz OJPXCKFOICBMPK-GHMZBOCLSA-N 1 3 230.352 0.755 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NCCO[C@H]1CCOC1 ZINC000923371085 644383620 /nfs/dbraw/zinc/38/36/20/644383620.db2.gz VLYRKMZVWPUXIQ-NWDGAFQWSA-N 1 3 242.363 0.770 20 0 BCADHO Cc1ccc2ncc(CNC(CN)C[NH3+])cc2c1 ZINC000923360256 644384369 /nfs/dbraw/zinc/38/43/69/644384369.db2.gz ZIHZDYROMLJQRS-UHFFFAOYSA-N 1 3 244.342 0.919 20 0 BCADHO CCOCC[C@@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000923412645 644415224 /nfs/dbraw/zinc/41/52/24/644415224.db2.gz RYRJGHWVBNMZKV-QWHCGFSZSA-N 1 3 244.379 0.977 20 0 BCADHO CCOCC[C@@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000923412645 644415229 /nfs/dbraw/zinc/41/52/29/644415229.db2.gz RYRJGHWVBNMZKV-QWHCGFSZSA-N 1 3 244.379 0.977 20 0 BCADHO CSC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421905 644416526 /nfs/dbraw/zinc/41/65/26/644416526.db2.gz PEFIGNNRHFUZTA-HLTSFMKQSA-N 1 3 218.366 0.426 20 0 BCADHO CSC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923421905 644416528 /nfs/dbraw/zinc/41/65/28/644416528.db2.gz PEFIGNNRHFUZTA-HLTSFMKQSA-N 1 3 218.366 0.426 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000923413854 644416970 /nfs/dbraw/zinc/41/69/70/644416970.db2.gz IVUVMCWTZRPTIK-JTQLQIEISA-N 1 3 232.393 0.784 20 0 BCADHO CSC[C@@H](O)C[N@H+]1CCNCCC1(C)C ZINC000923413854 644416974 /nfs/dbraw/zinc/41/69/74/644416974.db2.gz IVUVMCWTZRPTIK-JTQLQIEISA-N 1 3 232.393 0.784 20 0 BCADHO COC[C@H](O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923429274 644422296 /nfs/dbraw/zinc/42/22/96/644422296.db2.gz YJQADAQGUOYFTQ-OLZOCXBDSA-N 1 3 242.363 0.459 20 0 BCADHO CCCCOC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923419475 644423491 /nfs/dbraw/zinc/42/34/91/644423491.db2.gz APPFANBUKVWOSJ-WOPDTQHZSA-N 1 3 244.379 0.879 20 0 BCADHO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923419475 644423503 /nfs/dbraw/zinc/42/35/03/644423503.db2.gz APPFANBUKVWOSJ-WOPDTQHZSA-N 1 3 244.379 0.879 20 0 BCADHO CC(C)OCCCN1CCNCC[NH2+]CC1 ZINC000923461701 644447677 /nfs/dbraw/zinc/44/76/77/644447677.db2.gz SETIRBPZDNQVPD-UHFFFAOYSA-N 1 3 229.368 0.296 20 0 BCADHO CCCNC(=O)[C@H](C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923497757 644473319 /nfs/dbraw/zinc/47/33/19/644473319.db2.gz DLAXMOLLGSCWRP-GRYCIOLGSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)OC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515572 644479469 /nfs/dbraw/zinc/47/94/69/644479469.db2.gz HIXSFIIFNBQTNU-YNEHKIRRSA-N 1 3 242.363 0.314 20 0 BCADHO O=C(C[C@@H]1CC[NH2+]C1)NCCN1CCCCC1 ZINC000089747323 644564101 /nfs/dbraw/zinc/56/41/01/644564101.db2.gz ZWDCZRHJYIRJBW-LBPRGKRZSA-N 1 3 239.363 0.588 20 0 BCADHO COC[C@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000251514589 644807952 /nfs/dbraw/zinc/80/79/52/644807952.db2.gz ITYHMKRSPRLNGQ-GARJFASQSA-N 1 3 216.325 0.053 20 0 BCADHO COC[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000251514591 644808217 /nfs/dbraw/zinc/80/82/17/644808217.db2.gz ITYHMKRSPRLNGQ-HBNTYKKESA-N 1 3 216.325 0.053 20 0 BCADHO CC[C@@H]1CN(C[C@@H](O)COC)CC[C@H]1[NH3+] ZINC000251572141 644810275 /nfs/dbraw/zinc/81/02/75/644810275.db2.gz BXYXYMQGJFHTTF-GMTAPVOTSA-N 1 3 216.325 0.053 20 0 BCADHO C[C@H]1CN(CC(=O)N(C)C2CC2)CC[C@H]1C[NH3+] ZINC000251566827 644810854 /nfs/dbraw/zinc/81/08/54/644810854.db2.gz BVRNVUKXYYMBLF-QWRGUYRKSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H]1CN(CC(=O)NCC2CC2)CC[C@H]1C[NH3+] ZINC000251736969 644818048 /nfs/dbraw/zinc/81/80/48/644818048.db2.gz KQKFVCSHRANLGP-PWSUYJOCSA-N 1 3 239.363 0.429 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CC1CC1 ZINC000304319140 644889390 /nfs/dbraw/zinc/88/93/90/644889390.db2.gz FJUDOZLTSLURBV-ONGXEEELSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CC1CC1 ZINC000304319136 644889897 /nfs/dbraw/zinc/88/98/97/644889897.db2.gz FJUDOZLTSLURBV-KOLCDFICSA-N 1 3 227.352 0.570 20 0 BCADHO CON(C)C(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000819106856 645005148 /nfs/dbraw/zinc/00/51/48/645005148.db2.gz ZGIVETWXQIAWME-GHMZBOCLSA-N 1 3 243.351 0.469 20 0 BCADHO CON(C)C(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000819106856 645005155 /nfs/dbraw/zinc/00/51/55/645005155.db2.gz ZGIVETWXQIAWME-GHMZBOCLSA-N 1 3 243.351 0.469 20 0 BCADHO CC[C@@](C)(CC(=O)OC)NC[C@@H]1CC[NH2+]C1 ZINC000843390102 645288276 /nfs/dbraw/zinc/28/82/76/645288276.db2.gz KOGBPFMDMVJTDC-PWSUYJOCSA-N 1 3 228.336 0.917 20 0 BCADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C ZINC000928428235 645742013 /nfs/dbraw/zinc/74/20/13/645742013.db2.gz VUVVBODZGLHZGS-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884269489 645871591 /nfs/dbraw/zinc/87/15/91/645871591.db2.gz PCMRLXYTUPKPIC-FBIMIBRVSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CN(C[C@@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000886839328 645890975 /nfs/dbraw/zinc/89/09/75/645890975.db2.gz BTFCQHUGECWZMX-WRWGMCAJSA-N 1 3 210.321 0.692 20 0 BCADHO C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCOC2)CN1C1CC1 ZINC000925543595 646324177 /nfs/dbraw/zinc/32/41/77/646324177.db2.gz VNFLTJAEJNHVBV-UTUOFQBUSA-N 1 3 239.363 0.190 20 0 BCADHO C[C@@H]1CCCN(CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925550388 646326212 /nfs/dbraw/zinc/32/62/12/646326212.db2.gz LUDUNSGZYZGCBZ-CHWSQXEVSA-N 1 3 241.379 0.296 20 0 BCADHO CC1CCN(CCN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925547390 646327100 /nfs/dbraw/zinc/32/71/00/646327100.db2.gz OGFGSQDUQNWXRP-ZDUSSCGKSA-N 1 3 241.379 0.296 20 0 BCADHO CCc1nc(CC[NH2+][C@@H]2CCCN[C@H]2C)no1 ZINC000925590306 646349215 /nfs/dbraw/zinc/34/92/15/646349215.db2.gz OWKMNXZMPAFHDX-VHSXEESVSA-N 1 3 238.335 0.905 20 0 BCADHO CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925622843 646369626 /nfs/dbraw/zinc/36/96/26/646369626.db2.gz NHVIDTQAYBIAKH-GMTAPVOTSA-N 1 3 212.337 0.863 20 0 BCADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@H]1CCNCC1(F)F ZINC000925711808 646436390 /nfs/dbraw/zinc/43/63/90/646436390.db2.gz RZRCHZLEAOFVSQ-AXFHLTTASA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCNCC1(F)F ZINC000925711808 646436396 /nfs/dbraw/zinc/43/63/96/646436396.db2.gz RZRCHZLEAOFVSQ-AXFHLTTASA-N 1 3 247.333 0.961 20 0 BCADHO Nc1ccnc(CN[C@H]2CCC[C@H]2[NH3+])c1 ZINC000925765780 646466894 /nfs/dbraw/zinc/46/68/94/646466894.db2.gz FHFWPGLLORQFSN-MNOVXSKESA-N 1 3 206.293 0.633 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000925771201 646470179 /nfs/dbraw/zinc/47/01/79/646470179.db2.gz NAJDLRIAPUBEAI-NHCYSSNCSA-N 1 3 239.363 0.713 20 0 BCADHO C1=C[C@@H](C[NH2+][C@@H]2CCNC2)[C@H]2CO[C@@H]1C2 ZINC000925832729 646500950 /nfs/dbraw/zinc/50/09/50/646500950.db2.gz SOBBRUHZZYBVDF-QCNOEVLYSA-N 1 3 208.305 0.529 20 0 BCADHO [NH3+][C@@H]1C[C@H](NCCO[C@H]2CCOC2)C12CCC2 ZINC000925876162 646525529 /nfs/dbraw/zinc/52/55/29/646525529.db2.gz XXTVAJGNHQOCNC-TUAOUCFPSA-N 1 3 240.347 0.651 20 0 BCADHO CCOCCOCCN[C@@H]1CCC[NH2+]CC1 ZINC000925874371 646525900 /nfs/dbraw/zinc/52/59/00/646525900.db2.gz IXCVOOKRVTVYLJ-GFCCVEGCSA-N 1 3 230.352 0.771 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCO[C@H]2CCOC2)C1 ZINC000724920459 711628547 /nfs/dbraw/zinc/62/85/47/711628547.db2.gz GEYIRBZPLGPJTF-SRVKXCTJSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NCCCOCCO ZINC000396726467 711703449 /nfs/dbraw/zinc/70/34/49/711703449.db2.gz YWLCUEQROGNJBA-GHMZBOCLSA-N 1 3 216.325 0.116 20 0 BCADHO CNC(=O)CCCN[C@H]1CCC[NH2+][C@H]1C ZINC000398310750 711709915 /nfs/dbraw/zinc/70/99/15/711709915.db2.gz LBHPFQZHILSKLH-UWVGGRQHSA-N 1 3 213.325 0.243 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335625070 711728116 /nfs/dbraw/zinc/72/81/16/711728116.db2.gz RSQXWQJAACEYRS-AAEUAGOBSA-N 1 3 239.363 0.714 20 0 BCADHO CCN1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000722355743 711745434 /nfs/dbraw/zinc/74/54/34/711745434.db2.gz GUAOCEQILQZCIK-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](CN1CCOCC1)N[C@H](C)C[C@@H](C)[NH3+] ZINC000925819371 711755667 /nfs/dbraw/zinc/75/56/67/711755667.db2.gz AZZNTYNQSXUVSO-JHJVBQTASA-N 1 3 243.395 0.813 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](CO)[C@H](CO)C1 ZINC000704770086 712115729 /nfs/dbraw/zinc/11/57/29/712115729.db2.gz GMOBJLIHJJZRCE-FRRDWIJNSA-N 1 3 242.363 0.003 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](CO)[C@H](CO)C1 ZINC000704770086 712115730 /nfs/dbraw/zinc/11/57/30/712115730.db2.gz GMOBJLIHJJZRCE-FRRDWIJNSA-N 1 3 242.363 0.003 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711312676 712293682 /nfs/dbraw/zinc/29/36/82/712293682.db2.gz YKMMPIVVQLKEGS-MNOVXSKESA-N 1 3 239.363 0.442 20 0 BCADHO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000712577585 712432953 /nfs/dbraw/zinc/43/29/53/712432953.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000712577585 712432954 /nfs/dbraw/zinc/43/29/54/712432954.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712577585 712432956 /nfs/dbraw/zinc/43/29/56/712432956.db2.gz GTYNJGOTMVJWCR-CHWSQXEVSA-N 1 3 241.379 0.125 20 0 BCADHO CN(C[C@H]1C[C@@H]([NH3+])C1)CC(C)(C)S(C)(=O)=O ZINC000714010941 712477529 /nfs/dbraw/zinc/47/75/29/712477529.db2.gz ZXLDNUVGWJBFSQ-AOOOYVTPSA-N 1 3 248.392 0.479 20 0 BCADHO C[C@H](C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1)CN(C)C ZINC000380093651 712685553 /nfs/dbraw/zinc/68/55/53/712685553.db2.gz VMXMZWFUUZZCKZ-GRYCIOLGSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029464 712800212 /nfs/dbraw/zinc/80/02/12/712800212.db2.gz ACBMTIJIOPACQO-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890775 712874864 /nfs/dbraw/zinc/87/48/64/712874864.db2.gz UEEVYSPVVMPREQ-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720896715 712876457 /nfs/dbraw/zinc/87/64/57/712876457.db2.gz DHSIGCVARHPOKH-SDDRHHMPSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720897473 712876998 /nfs/dbraw/zinc/87/69/98/712876998.db2.gz HSURDQRJWJVYGB-VXGBXAGGSA-N 1 3 239.363 0.680 20 0 BCADHO Cc1ccc(F)cc1CNC(CN)C[NH3+] ZINC000381505540 710647382 /nfs/dbraw/zinc/64/73/82/710647382.db2.gz DVKTUCLECDINNL-UHFFFAOYSA-N 1 3 211.284 0.510 20 0 BCADHO CC(C)NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133090168 710968268 /nfs/dbraw/zinc/96/82/68/710968268.db2.gz IHVIVCITQCQPPB-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H](N[C@@H]1CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000386183629 711025112 /nfs/dbraw/zinc/02/51/12/711025112.db2.gz YMMVWWHRWSOOEM-QJPTWQEYSA-N 1 3 211.353 0.811 20 0 BCADHO CC[NH+]1CCC(NCCN2CCNC2=O)CC1 ZINC000387466657 711044558 /nfs/dbraw/zinc/04/45/58/711044558.db2.gz YCPYEMZZQOVASL-UHFFFAOYSA-N 1 3 240.351 0.086 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000389638138 711083822 /nfs/dbraw/zinc/08/38/22/711083822.db2.gz KCDUZFHDMPSXEV-CMPLNLGQSA-N 1 3 239.363 0.727 20 0 BCADHO C(CN1CCCC1)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392848778 711153066 /nfs/dbraw/zinc/15/30/66/711153066.db2.gz BZIHOCVZQZJSQI-YHQUGGNUSA-N 1 3 235.375 0.668 20 0 BCADHO C[C@H](N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCOC1 ZINC000392939452 711154874 /nfs/dbraw/zinc/15/48/74/711154874.db2.gz ZFIXZIHLJUFMPM-ISCIKXKRSA-N 1 3 236.359 0.997 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NCCCC(=O)N(C)C ZINC000396591674 711357685 /nfs/dbraw/zinc/35/76/85/711357685.db2.gz CLWLVGDAGZTNQU-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO COCC(COC)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000385010349 711003418 /nfs/dbraw/zinc/00/34/18/711003418.db2.gz XRUUXXHKVMFZTE-MNOVXSKESA-N 1 3 230.352 0.565 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NCCC1(CO)CC1 ZINC000396645278 711363218 /nfs/dbraw/zinc/36/32/18/711363218.db2.gz BYKUTBHWONTIDL-MNOVXSKESA-N 1 3 212.337 0.879 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000396707762 711366344 /nfs/dbraw/zinc/36/63/44/711366344.db2.gz NWOCVKZXVDQBRR-DMDPSCGWSA-N 1 3 223.364 0.953 20 0 BCADHO NCC(C[NH3+])NCc1ccc(Cl)nc1 ZINC000309081653 711589015 /nfs/dbraw/zinc/58/90/15/711589015.db2.gz QLXWUSQDFHYREZ-UHFFFAOYSA-N 1 3 214.700 0.111 20 0 BCADHO C[C@@H]1CN(C[C@@H]2C[C@H]3COC[C@H]3O2)C[C@H]1C[NH3+] ZINC000724560879 711590783 /nfs/dbraw/zinc/59/07/83/711590783.db2.gz XMQJQPDCHARBPF-RXGFPQBGSA-N 1 3 240.347 0.317 20 0 BCADHO C[C@@H]1CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724560875 711590815 /nfs/dbraw/zinc/59/08/15/711590815.db2.gz XMQJQPDCHARBPF-KVSVUVNWSA-N 1 3 240.347 0.317 20 0 BCADHO CC[C@H](CCO)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396562495 711701891 /nfs/dbraw/zinc/70/18/91/711701891.db2.gz ILUMXSWYJNOZEQ-HBNTYKKESA-N 1 3 200.326 0.878 20 0 BCADHO CC(C)[C@@H](C)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000125541908 711730240 /nfs/dbraw/zinc/73/02/40/711730240.db2.gz MHCBBCLUKGKVDM-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000722355749 711745242 /nfs/dbraw/zinc/74/52/42/711745242.db2.gz GUAOCEQILQZCIK-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CCOCCOCCN[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925875546 711761653 /nfs/dbraw/zinc/76/16/53/711761653.db2.gz UMIUSYQXXLPSFQ-NWDGAFQWSA-N 1 3 242.363 0.899 20 0 BCADHO CC[C@@H](C)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000160040483 711805538 /nfs/dbraw/zinc/80/55/38/711805538.db2.gz VYSOBWKLKZBVPD-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CN(Cc1cnccn1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000700086053 711985836 /nfs/dbraw/zinc/98/58/36/711985836.db2.gz WHWWXJOZFPCTSH-AOOOYVTPSA-N 1 3 206.293 0.646 20 0 BCADHO C[NH2+]CCN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000703679177 712083512 /nfs/dbraw/zinc/08/35/12/712083512.db2.gz BERUMCNUVOSMCC-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CCOC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000705805557 712135929 /nfs/dbraw/zinc/13/59/29/712135929.db2.gz DAGOQPGMDPBZCJ-TUAOUCFPSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@@H](CN1CC[C@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567662 712149692 /nfs/dbraw/zinc/14/96/92/712149692.db2.gz AFPRHAMFSPIXGF-QWRGUYRKSA-N 1 3 248.392 0.338 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000709038925 712206213 /nfs/dbraw/zinc/20/62/13/712206213.db2.gz MUZRCTRPFXDUDX-QWRGUYRKSA-N 1 3 216.325 0.197 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000709038925 712206214 /nfs/dbraw/zinc/20/62/14/712206214.db2.gz MUZRCTRPFXDUDX-QWRGUYRKSA-N 1 3 216.325 0.197 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCN(C)C1)[NH2+]2 ZINC000709430425 712221804 /nfs/dbraw/zinc/22/18/04/712221804.db2.gz AJSODDFUPLXUCR-NZEXEKPDSA-N 1 3 223.364 0.809 20 0 BCADHO C[C@@H]1COC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463329 712222418 /nfs/dbraw/zinc/22/24/18/712222418.db2.gz DUZLLFAQGBMEGE-NXQJVVEESA-N 1 3 210.321 0.894 20 0 BCADHO CSc1ccc(CNC(CN)C[NH3+])cc1 ZINC000710079376 712244312 /nfs/dbraw/zinc/24/43/12/712244312.db2.gz KPZBNFYNASASCA-UHFFFAOYSA-N 1 3 225.361 0.784 20 0 BCADHO C[C@@H](C(N)=O)N(C)CCCCCC[NH3+] ZINC000711185563 712288124 /nfs/dbraw/zinc/28/81/24/712288124.db2.gz DHYLRAOVWOVHMO-VIFPVBQESA-N 1 3 201.314 0.311 20 0 BCADHO COC[C@@H](C[N@@H+]1CCNCCC1(C)C)OC ZINC000712586632 712434940 /nfs/dbraw/zinc/43/49/40/712434940.db2.gz BPUIBJRXJQNVGB-LLVKDONJSA-N 1 3 230.352 0.722 20 0 BCADHO COC[C@@H](C[N@H+]1CCNCCC1(C)C)OC ZINC000712586632 712434941 /nfs/dbraw/zinc/43/49/41/712434941.db2.gz BPUIBJRXJQNVGB-LLVKDONJSA-N 1 3 230.352 0.722 20 0 BCADHO CN1CCN(C(=O)[C@H]2CCC[NH2+]2)CCC1(C)C ZINC000712668248 712439954 /nfs/dbraw/zinc/43/99/54/712439954.db2.gz HTXNKTBAWQUHBW-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000713183921 712453378 /nfs/dbraw/zinc/45/33/78/712453378.db2.gz AVSHTCXFNBAIKX-BBGACYKPSA-N 1 3 249.358 0.467 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CCNCCC12CCC2 ZINC000713159905 712453407 /nfs/dbraw/zinc/45/34/07/712453407.db2.gz UAWQCHKYSZRBFD-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CCNCCC12CCC2 ZINC000713159905 712453408 /nfs/dbraw/zinc/45/34/08/712453408.db2.gz UAWQCHKYSZRBFD-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO CC[C@H](O)CN1CC[NH2+]CCC12CCC2 ZINC000713175045 712453586 /nfs/dbraw/zinc/45/35/86/712453586.db2.gz MDWFPYYARAXYNB-NSHDSACASA-N 1 3 212.337 0.975 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCNCCC12CCC2 ZINC000713204517 712454681 /nfs/dbraw/zinc/45/46/81/712454681.db2.gz NGANFWGWPXOVHJ-NSHDSACASA-N 1 3 228.336 0.212 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCNCCC12CCC2 ZINC000713204517 712454683 /nfs/dbraw/zinc/45/46/83/712454683.db2.gz NGANFWGWPXOVHJ-NSHDSACASA-N 1 3 228.336 0.212 20 0 BCADHO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCCO ZINC000717427201 712658156 /nfs/dbraw/zinc/65/81/56/712658156.db2.gz UYAMMORHTMRSEH-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCCO ZINC000717427201 712658157 /nfs/dbraw/zinc/65/81/57/712658157.db2.gz UYAMMORHTMRSEH-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO C[C@H](NC[C@@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605477 712662236 /nfs/dbraw/zinc/66/22/36/712662236.db2.gz AQCPGPSKSIOGEK-ONGXEEELSA-N 1 3 212.337 0.999 20 0 BCADHO OC[C@@H](NC[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644502 712662750 /nfs/dbraw/zinc/66/27/50/712662750.db2.gz HBFKJCFEGIYPJV-QWHCGFSZSA-N 1 3 242.363 0.194 20 0 BCADHO OC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644490 712662927 /nfs/dbraw/zinc/66/29/27/712662927.db2.gz HBFKJCFEGIYPJV-CHWSQXEVSA-N 1 3 242.363 0.194 20 0 BCADHO C[N@H+](CCCC(C)(F)F)C[C@H](O)CN ZINC000718721598 712778708 /nfs/dbraw/zinc/77/87/08/712778708.db2.gz ILSSQODUWAFUKM-MRVPVSSYSA-N 1 3 210.268 0.673 20 0 BCADHO C[N@@H+](CCCC(C)(F)F)C[C@H](O)CN ZINC000718721598 712778709 /nfs/dbraw/zinc/77/87/09/712778709.db2.gz ILSSQODUWAFUKM-MRVPVSSYSA-N 1 3 210.268 0.673 20 0 BCADHO CN(CCCC(C)(F)F)C[C@H](O)C[NH3+] ZINC000718721598 712778711 /nfs/dbraw/zinc/77/87/11/712778711.db2.gz ILSSQODUWAFUKM-MRVPVSSYSA-N 1 3 210.268 0.673 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029515 712800282 /nfs/dbraw/zinc/80/02/82/712800282.db2.gz MVPOBBQROZFIMN-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO [NH3+]CC1(O)CCN(CCc2ccns2)CC1 ZINC000719873673 712824731 /nfs/dbraw/zinc/82/47/31/712824731.db2.gz QJILIGLYZQAIRG-UHFFFAOYSA-N 1 3 241.360 0.471 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000720900114 712875201 /nfs/dbraw/zinc/87/52/01/712875201.db2.gz OTFKHKBOYUATMO-OUAUKWLOSA-N 1 3 223.320 0.043 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901465 712875854 /nfs/dbraw/zinc/87/58/54/712875854.db2.gz SALRTASNGGPNAT-KXNHARMFSA-N 1 3 237.347 0.419 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896453 712876364 /nfs/dbraw/zinc/87/63/64/712876364.db2.gz DGHKLVVFSITYJB-UWVGGRQHSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720897456 712876317 /nfs/dbraw/zinc/87/63/17/712876317.db2.gz HSURDQRJWJVYGB-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720896709 712876323 /nfs/dbraw/zinc/87/63/23/712876323.db2.gz DHSIGCVARHPOKH-IJLUTSLNSA-N 1 3 239.363 0.665 20 0 BCADHO CNC(=O)C1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000721038880 712887460 /nfs/dbraw/zinc/88/74/60/712887460.db2.gz ASBBCHAJPHKQKU-PWSUYJOCSA-N 1 3 239.363 0.300 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000721051037 712888666 /nfs/dbraw/zinc/88/86/66/712888666.db2.gz VONJMTWJYGBBEK-ZNSHCXBVSA-N 1 3 225.336 0.038 20 0 BCADHO CC(C)[C@@H](C(=O)NCCC[NH3+])N1CCCCC1 ZINC000236660808 167341434 /nfs/dbraw/zinc/34/14/34/167341434.db2.gz UBXLSULFIZEKDW-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973206 349502995 /nfs/dbraw/zinc/50/29/95/349502995.db2.gz VWGRGQKDTGHGSC-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCC(=O)N(C)C ZINC000422941655 398159334 /nfs/dbraw/zinc/15/93/34/398159334.db2.gz VGONUYSHYKTRDK-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649341573 398157653 /nfs/dbraw/zinc/15/76/53/398157653.db2.gz INNNRDHAYAPGRS-GHMZBOCLSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CN1C1CC1 ZINC000649348145 398161750 /nfs/dbraw/zinc/16/17/50/398161750.db2.gz AEBNGQIYOWIDST-QTCIEIIFSA-N 1 3 249.358 0.478 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348468 398162324 /nfs/dbraw/zinc/16/23/24/398162324.db2.gz LRDKJXYBIUMOGJ-ZMHPAJMFSA-N 1 3 249.358 0.051 20 0 BCADHO NC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000649349553 398162462 /nfs/dbraw/zinc/16/24/62/398162462.db2.gz LYZBJJPAHXDFAJ-UHFFFAOYSA-N 1 3 246.314 0.222 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CN1C1CC1 ZINC000649348483 398162607 /nfs/dbraw/zinc/16/26/07/398162607.db2.gz MBUJQNJZNPJONZ-WXDOIIRRSA-N 1 3 249.358 0.193 20 0 BCADHO CCCCN(CC[C@@H]1CC[NH2+]C1)CC(N)=O ZINC000396737558 398167069 /nfs/dbraw/zinc/16/70/69/398167069.db2.gz LVADBDQHJUJQDI-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000576226177 365528494 /nfs/dbraw/zinc/52/84/94/365528494.db2.gz WNBQSMZQINMSTN-ZYHUDNBSSA-N 1 3 235.331 0.410 20 0 BCADHO CCN(CC)C(=O)[C@H](C)[NH2+]CC1(N)CCC1 ZINC000342136621 398189053 /nfs/dbraw/zinc/18/90/53/398189053.db2.gz HLGCSKKBZYZXJN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000576228255 365529993 /nfs/dbraw/zinc/52/99/93/365529993.db2.gz CVRJMLBFWIQYJT-GMTAPVOTSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncnn1C ZINC000647795789 398194354 /nfs/dbraw/zinc/19/43/54/398194354.db2.gz WDNLUYIYVNEHOW-NNYUYHANSA-N 1 3 249.362 0.854 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000446411022 398206671 /nfs/dbraw/zinc/20/66/71/398206671.db2.gz DXLBAGXHOGIBNY-WOPDTQHZSA-N 1 3 241.379 0.959 20 0 BCADHO C[NH2+]CCCN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649412584 398215082 /nfs/dbraw/zinc/21/50/82/398215082.db2.gz ULFQOPHZTYOVDO-CHWSQXEVSA-N 1 3 241.379 0.127 20 0 BCADHO C[NH2+]CCCN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649412585 398215117 /nfs/dbraw/zinc/21/51/17/398215117.db2.gz ULFQOPHZTYOVDO-OLZOCXBDSA-N 1 3 241.379 0.127 20 0 BCADHO CC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H](C)O ZINC000386680845 398216449 /nfs/dbraw/zinc/21/64/49/398216449.db2.gz IFBUMRZMDJKMBW-UTUOFQBUSA-N 1 3 230.352 0.192 20 0 BCADHO C[C@@H]([NH3+])CN1CCN(c2ccncc2)CC1 ZINC000649414663 398218592 /nfs/dbraw/zinc/21/85/92/398218592.db2.gz QAKRPFOOGXHTDP-LLVKDONJSA-N 1 3 220.320 0.551 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)CCN(C)C ZINC000418381391 192030396 /nfs/dbraw/zinc/03/03/96/192030396.db2.gz GHVQLQGYUIZILZ-SNVBAGLBSA-N 1 3 230.356 0.173 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCCN1CCOCC1 ZINC000430564828 398227523 /nfs/dbraw/zinc/22/75/23/398227523.db2.gz CPNJLBPVWUUSMM-CYBMUJFWSA-N 1 3 243.395 0.672 20 0 BCADHO C[C@H](CN[C@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563909 398228264 /nfs/dbraw/zinc/22/82/64/398228264.db2.gz XYRDOUNNWFLZOS-MWLCHTKSSA-N 1 3 248.392 0.384 20 0 BCADHO CN(CC(=O)NC[C@@H]1CC[N@H+](C)C1)C1CCC1 ZINC000629951714 361800314 /nfs/dbraw/zinc/80/03/14/361800314.db2.gz ZUHUXTXOUKLQCT-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000629951714 361800319 /nfs/dbraw/zinc/80/03/19/361800319.db2.gz ZUHUXTXOUKLQCT-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)NCC(C)(C)[NH3+] ZINC000418437083 192036129 /nfs/dbraw/zinc/03/61/29/192036129.db2.gz XUXJTVJBIPFJRD-UHFFFAOYSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576475559 365606427 /nfs/dbraw/zinc/60/64/27/365606427.db2.gz KNPFXUPDVQNSPR-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCN(CCc2cn[nH]c2)C[C@@H]1C[NH3+] ZINC000381253837 398244190 /nfs/dbraw/zinc/24/41/90/398244190.db2.gz PJSYVQFAKDPKIB-JQWIXIFHSA-N 1 3 222.336 0.869 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167528042 488176026 /nfs/dbraw/zinc/17/60/26/488176026.db2.gz XPYQBTPMGIMFMN-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167528042 488176030 /nfs/dbraw/zinc/17/60/30/488176030.db2.gz XPYQBTPMGIMFMN-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CC1(C)NC(=O)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000576507385 365612241 /nfs/dbraw/zinc/61/22/41/365612241.db2.gz LKUHBSRBJFVDQE-GHMZBOCLSA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000134102461 398240454 /nfs/dbraw/zinc/24/04/54/398240454.db2.gz QYEVCICQNHDDPN-VHSXEESVSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)NCCN(C)C ZINC000418421497 192037451 /nfs/dbraw/zinc/03/74/51/192037451.db2.gz BLKZAQHPHSQPTO-SNVBAGLBSA-N 1 3 230.356 0.221 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000576515222 365615152 /nfs/dbraw/zinc/61/51/52/365615152.db2.gz FJNZKZDQIUKBAF-OUAUKWLOSA-N 1 3 225.336 0.134 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000061645015 398245603 /nfs/dbraw/zinc/24/56/03/398245603.db2.gz CLKRLHOOUJPSSF-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000381283778 398247546 /nfs/dbraw/zinc/24/75/46/398247546.db2.gz YYXZIYHYZXFPNO-NXEZZACHSA-N 1 3 213.325 0.167 20 0 BCADHO Cc1nccn1CCCN(C)CCC[NH3+] ZINC000381459031 398253689 /nfs/dbraw/zinc/25/36/89/398253689.db2.gz KKEWCNPLJUVJNA-UHFFFAOYSA-N 1 3 210.325 0.862 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000576701633 365663582 /nfs/dbraw/zinc/66/35/82/365663582.db2.gz LDNWKMHRUQEXEM-IUCAKERBSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000381462467 398258756 /nfs/dbraw/zinc/25/87/56/398258756.db2.gz LMYAIIPLTZEFNI-IVZWLZJFSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000381462463 398258763 /nfs/dbraw/zinc/25/87/63/398258763.db2.gz LMYAIIPLTZEFNI-GUBZILKMSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000130530085 398269326 /nfs/dbraw/zinc/26/93/26/398269326.db2.gz NOBNJLNNGAMAKA-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602550994 349593031 /nfs/dbraw/zinc/59/30/31/349593031.db2.gz ATEROQYYDIYAPM-GUBZILKMSA-N 1 3 245.392 0.324 20 0 BCADHO CCC[NH2+]CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418493547 192042029 /nfs/dbraw/zinc/04/20/29/192042029.db2.gz YSHKHDJSAKCTOU-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000165436450 361840826 /nfs/dbraw/zinc/84/08/26/361840826.db2.gz KEDFNDNBRSLJEN-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165422595 361841070 /nfs/dbraw/zinc/84/10/70/361841070.db2.gz OFOAUTAFIAEXLA-DTWKUNHWSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418496533 192042416 /nfs/dbraw/zinc/04/24/16/192042416.db2.gz VKFSXLJWSATHSC-WDEREUQCSA-N 1 3 242.367 0.317 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)N ZINC000167197532 361861757 /nfs/dbraw/zinc/86/17/57/361861757.db2.gz MBTIKOZIVUQAAG-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)N ZINC000167197532 361861760 /nfs/dbraw/zinc/86/17/60/361861760.db2.gz MBTIKOZIVUQAAG-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)N ZINC000167325009 361863637 /nfs/dbraw/zinc/86/36/37/361863637.db2.gz BCJDSSFXBIFODY-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)N ZINC000167325009 361863640 /nfs/dbraw/zinc/86/36/40/361863640.db2.gz BCJDSSFXBIFODY-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]1CN(C(=O)NCC[NH3+])CCN(C2CC2)C1 ZINC000335610446 136236713 /nfs/dbraw/zinc/23/67/13/136236713.db2.gz XMHKFIXKTRJXRL-JTQLQIEISA-N 1 3 240.351 0.071 20 0 BCADHO CC(C)[C@@H](C(=O)NC1CCN(C)CC1)[C@@H](C)[NH3+] ZINC000399628576 342739539 /nfs/dbraw/zinc/73/95/39/342739539.db2.gz FIXKPTGQTRLGNN-ZYHUDNBSSA-N 1 3 241.379 0.816 20 0 BCADHO CN(CC(=O)NC1CC([NH+](C)C)C1)C1CCC1 ZINC000629990479 361877092 /nfs/dbraw/zinc/87/70/92/361877092.db2.gz UKZQUJWVMGEEON-UHFFFAOYSA-N 1 3 239.363 0.680 20 0 BCADHO CCN(CC)CC(=O)NCC1([NH2+]C)CCC1 ZINC000629999349 361883902 /nfs/dbraw/zinc/88/39/02/361883902.db2.gz DPSPLPXBPRUABP-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCC[NH+](C)C ZINC000131249728 323012792 /nfs/dbraw/zinc/01/27/92/323012792.db2.gz LGJNGUWSLXCDPW-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO Cc1c[nH+]ccc1NCCN1CC[C@H](O)C1 ZINC000624778153 342828121 /nfs/dbraw/zinc/82/81/21/342828121.db2.gz XKVMINHQMFJBRU-NSHDSACASA-N 1 3 221.304 0.290 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335681815 398292894 /nfs/dbraw/zinc/29/28/94/398292894.db2.gz ZNLUDLQURXUBOH-DGCLKSJQSA-N 1 3 239.363 0.572 20 0 BCADHO NC1(C(=O)N2CCC[C@H](CC[NH3+])C2)CCC1 ZINC000335479946 398291200 /nfs/dbraw/zinc/29/12/00/398291200.db2.gz PRIITWNYLHVOPY-SNVBAGLBSA-N 1 3 225.336 0.455 20 0 BCADHO CN(Cc1cn[nH]c1)CC1CC[NH2+]CC1 ZINC000379864744 538980969 /nfs/dbraw/zinc/98/09/69/538980969.db2.gz NPLBKVHPJSFINJ-UHFFFAOYSA-N 1 3 208.309 0.841 20 0 BCADHO CN(CCC[NH3+])Cc1ccn(C)c(=O)c1 ZINC000381995888 398294924 /nfs/dbraw/zinc/29/49/24/398294924.db2.gz XQYYMHXBKNPUIH-UHFFFAOYSA-N 1 3 209.293 0.166 20 0 BCADHO CCN1CCN(CCC[NH2+]C2CSC2)CC1 ZINC000390431957 539021795 /nfs/dbraw/zinc/02/17/95/539021795.db2.gz PXCPRLPJFYJNJS-UHFFFAOYSA-N 1 3 243.420 0.719 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618670 539026624 /nfs/dbraw/zinc/02/66/24/539026624.db2.gz HRVZOCJCULIFPX-NDBYEHHHSA-N 1 3 224.348 0.953 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@H]1CCC[NH2+]C1 ZINC000087646623 259325290 /nfs/dbraw/zinc/32/52/90/259325290.db2.gz LALQJOHYSQZCDC-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCNC1 ZINC000087646623 259325291 /nfs/dbraw/zinc/32/52/91/259325291.db2.gz LALQJOHYSQZCDC-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C[NH3+] ZINC000418532186 192048246 /nfs/dbraw/zinc/04/82/46/192048246.db2.gz XFKCAENUCTUOAO-SNVBAGLBSA-N 1 3 230.356 0.315 20 0 BCADHO CCO[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000625096996 342852214 /nfs/dbraw/zinc/85/22/14/342852214.db2.gz IBHZEOMKLHLXTG-JHJVBQTASA-N 1 3 224.348 0.953 20 0 BCADHO CC[NH+](CC)CCCNC(=O)CNC(C)C ZINC000037477074 488185682 /nfs/dbraw/zinc/18/56/82/488185682.db2.gz LYSDFFAMMYOHTL-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000167340295 136245697 /nfs/dbraw/zinc/24/56/97/136245697.db2.gz BHULJQABRSTKKV-WPRPVWTQSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000167340295 136245698 /nfs/dbraw/zinc/24/56/98/136245698.db2.gz BHULJQABRSTKKV-WPRPVWTQSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309744634 398323006 /nfs/dbraw/zinc/32/30/06/398323006.db2.gz FEJCEYJZEIBGME-UWVGGRQHSA-N 1 3 215.341 0.459 20 0 BCADHO C[NH+](C)Cc1cccc(NC(=O)CN)c1 ZINC000037019486 342916104 /nfs/dbraw/zinc/91/61/04/342916104.db2.gz WMMZIQLMPVLZQK-UHFFFAOYSA-N 1 3 207.277 0.645 20 0 BCADHO C[NH+](C)C1CCN(C(=O)CNC2CC2)CC1 ZINC000037477010 398327629 /nfs/dbraw/zinc/32/76/29/398327629.db2.gz NPIVYGSXPSJJCE-UHFFFAOYSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000164995605 529441346 /nfs/dbraw/zinc/44/13/46/529441346.db2.gz QOYNFWIKKGVYEU-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000164995605 529441348 /nfs/dbraw/zinc/44/13/48/529441348.db2.gz QOYNFWIKKGVYEU-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000164995741 529441855 /nfs/dbraw/zinc/44/18/55/529441855.db2.gz QOYNFWIKKGVYEU-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000164995741 529441857 /nfs/dbraw/zinc/44/18/57/529441857.db2.gz QOYNFWIKKGVYEU-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000037616059 398332615 /nfs/dbraw/zinc/33/26/15/398332615.db2.gz OFKKFRAXBJHXOV-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000381462455 398344269 /nfs/dbraw/zinc/34/42/69/398344269.db2.gz LMYAIIPLTZEFNI-AEJSXWLSSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351769720 136253290 /nfs/dbraw/zinc/25/32/90/136253290.db2.gz LFMOBWAIINOQMC-MMWGEVLESA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334156076 187205658 /nfs/dbraw/zinc/20/56/58/187205658.db2.gz XKCYHARKZLFPSG-WCQYABFASA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000356343316 187212593 /nfs/dbraw/zinc/21/25/93/187212593.db2.gz JYIKJYCETVDRBY-OUAUKWLOSA-N 1 3 225.336 0.337 20 0 BCADHO CC/C=C/C[NH2+]C[C@H](O)CN1CCCC1 ZINC000384730102 344022485 /nfs/dbraw/zinc/02/24/85/344022485.db2.gz AZPCGOIUKXEILD-PCAWENJQSA-N 1 3 212.337 0.999 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000359384741 187216953 /nfs/dbraw/zinc/21/69/53/187216953.db2.gz SNZDQINYYSFLMC-SDDRHHMPSA-N 1 3 239.363 0.250 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C ZINC000368684621 187221234 /nfs/dbraw/zinc/22/12/34/187221234.db2.gz VQQHJUPZLJZYOE-QWRGUYRKSA-N 1 3 227.352 0.298 20 0 BCADHO CC[C@@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309517935 259343197 /nfs/dbraw/zinc/34/31/97/259343197.db2.gz ZFXBJSUTSICTDJ-VHSXEESVSA-N 1 3 211.309 0.077 20 0 BCADHO CC(=O)NCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377390498 187225548 /nfs/dbraw/zinc/22/55/48/187225548.db2.gz JVSMREPSQNGFOH-CYBMUJFWSA-N 1 3 241.379 0.929 20 0 BCADHO CC(=O)NCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377390498 187225550 /nfs/dbraw/zinc/22/55/50/187225550.db2.gz JVSMREPSQNGFOH-CYBMUJFWSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N2CCCNCC2)CC[NH2+]1 ZINC000235682662 343055342 /nfs/dbraw/zinc/05/53/42/343055342.db2.gz UZURUDDMXOKOMN-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236649537 343105515 /nfs/dbraw/zinc/10/55/15/343105515.db2.gz TXFKHYQAZRRMQC-MNOVXSKESA-N 1 3 227.352 0.557 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000236874396 343113154 /nfs/dbraw/zinc/11/31/54/343113154.db2.gz RDWYGPJQVIOKNL-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000236874396 343113155 /nfs/dbraw/zinc/11/31/55/343113155.db2.gz RDWYGPJQVIOKNL-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000236887992 343113683 /nfs/dbraw/zinc/11/36/83/343113683.db2.gz WGBLTYXHJDEVSR-KOLCDFICSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)C1 ZINC000092956348 343150236 /nfs/dbraw/zinc/15/02/36/343150236.db2.gz KGDFTQXJXFQISV-SRVKXCTJSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCCCC1 ZINC000092956241 343149942 /nfs/dbraw/zinc/14/99/42/343149942.db2.gz HTCKKOVSIDOEPS-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]CCN(C)C(=O)c1ccc2c(c1)CNC2 ZINC000131169148 343183406 /nfs/dbraw/zinc/18/34/06/343183406.db2.gz QJFVOPPEYPJUKA-UHFFFAOYSA-N 1 3 233.315 0.581 20 0 BCADHO CN1CCN(C)[C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000093216157 343151148 /nfs/dbraw/zinc/15/11/48/343151148.db2.gz SKLUKIFSVJSGGH-YNEHKIRRSA-N 1 3 240.395 0.092 20 0 BCADHO CN[C@@H](C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000125166356 343165855 /nfs/dbraw/zinc/16/58/55/343165855.db2.gz XCZRFLSJECLGJC-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N1CCCCCC1 ZINC000237468901 136272311 /nfs/dbraw/zinc/27/23/11/136272311.db2.gz KDKMAJQKHGVSEF-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(N)CCC2)C1 ZINC000148069856 343196098 /nfs/dbraw/zinc/19/60/98/343196098.db2.gz WZRWVNJSNBQBJM-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C2(N)CCC2)C1 ZINC000148069856 343196099 /nfs/dbraw/zinc/19/60/99/343196099.db2.gz WZRWVNJSNBQBJM-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCCCCC1 ZINC000156740519 343199018 /nfs/dbraw/zinc/19/90/18/343199018.db2.gz KKXFUMLQMSVJDM-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CNC(=O)C[NH2+]CC1CC1)N1CCCC1 ZINC000161051015 343204115 /nfs/dbraw/zinc/20/41/15/343204115.db2.gz IIKKXGGJSNUQEH-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCN(CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000167779760 343209549 /nfs/dbraw/zinc/20/95/49/343209549.db2.gz PTKYRODKOMMLAX-STQMWFEESA-N 1 3 241.379 0.235 20 0 BCADHO C[C@@H]1CCN(CCN2CCOCC2)C[C@@H]1C[NH3+] ZINC000167779641 343209622 /nfs/dbraw/zinc/20/96/22/343209622.db2.gz PTKYRODKOMMLAX-OLZOCXBDSA-N 1 3 241.379 0.235 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C1(N)CCCC1 ZINC000087471663 136281414 /nfs/dbraw/zinc/28/14/14/136281414.db2.gz WKEAVSXSRVMOMT-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H](C)N ZINC000308836502 187250861 /nfs/dbraw/zinc/25/08/61/187250861.db2.gz LNOAMCKVHPOMPK-SCZZXKLOSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]1CN(CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000634688255 343246557 /nfs/dbraw/zinc/24/65/57/343246557.db2.gz NGNWUBDIBMRLQA-GHMZBOCLSA-N 1 3 222.336 0.489 20 0 BCADHO C[C@H]1CC[C@@H](C[NH2+]C2(CO)CCNCC2)O1 ZINC000634688311 343247094 /nfs/dbraw/zinc/24/70/94/343247094.db2.gz PBLYUSRGQZSHNI-QWRGUYRKSA-N 1 3 228.336 0.258 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000019512866 343249414 /nfs/dbraw/zinc/24/94/14/343249414.db2.gz QNCTYLPLEIVUAZ-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000019512866 343249416 /nfs/dbraw/zinc/24/94/16/343249416.db2.gz QNCTYLPLEIVUAZ-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)COC)CC1 ZINC000070589347 343333552 /nfs/dbraw/zinc/33/35/52/343333552.db2.gz DRBBHYRMBUKRIG-LLVKDONJSA-N 1 3 216.325 0.068 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089243 187254872 /nfs/dbraw/zinc/25/48/72/187254872.db2.gz QMZHSJOYNSSBNM-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCN1 ZINC000335626774 136299694 /nfs/dbraw/zinc/29/96/94/136299694.db2.gz ISTRKFXXOVYNNB-GWCFXTLKSA-N 1 3 237.347 0.196 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCN1 ZINC000335626777 136299940 /nfs/dbraw/zinc/29/99/40/136299940.db2.gz ISTRKFXXOVYNNB-ZWNOBZJWSA-N 1 3 237.347 0.196 20 0 BCADHO CC1(C)CN(C(=O)[C@@]2(C)CCC[NH2+]C2)CCN1 ZINC000335627373 136299957 /nfs/dbraw/zinc/29/99/57/136299957.db2.gz QIWSIXKHFBRYBI-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CCN1 ZINC000335626776 136299965 /nfs/dbraw/zinc/29/99/65/136299965.db2.gz ISTRKFXXOVYNNB-MFKMUULPSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)[NH+](C)C ZINC000038089227 343370390 /nfs/dbraw/zinc/37/03/90/343370390.db2.gz LCGLZGUTFIYPSW-YPMHNXCESA-N 1 3 249.358 0.623 20 0 BCADHO C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNC2 ZINC000335652798 136305487 /nfs/dbraw/zinc/30/54/87/136305487.db2.gz BDETYYSGJJXVQC-MRVPVSSYSA-N 1 3 219.288 0.966 20 0 BCADHO C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CNC2 ZINC000335652799 136305864 /nfs/dbraw/zinc/30/58/64/136305864.db2.gz BDETYYSGJJXVQC-QMMMGPOBSA-N 1 3 219.288 0.966 20 0 BCADHO C[C@H]1CCN(C(=O)C(C)(C)N)C[C@H]1C[NH3+] ZINC000335659229 136307409 /nfs/dbraw/zinc/30/74/09/136307409.db2.gz ZPBCBSUDAOQPSI-DTWKUNHWSA-N 1 3 213.325 0.167 20 0 BCADHO CNCC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335641829 136308443 /nfs/dbraw/zinc/30/84/43/136308443.db2.gz VWXGVNCJIYOOIS-LBPRGKRZSA-N 1 3 239.363 0.442 20 0 BCADHO CNCC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000335641828 136308464 /nfs/dbraw/zinc/30/84/64/136308464.db2.gz VWXGVNCJIYOOIS-GFCCVEGCSA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335678317 136319643 /nfs/dbraw/zinc/31/96/43/136319643.db2.gz YZGWJTUFLGNJFN-OLZOCXBDSA-N 1 3 239.363 0.716 20 0 BCADHO CNC[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000082419861 343440783 /nfs/dbraw/zinc/44/07/83/343440783.db2.gz RJZNSPMAGCBQSP-GFCCVEGCSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000082419861 343440784 /nfs/dbraw/zinc/44/07/84/343440784.db2.gz RJZNSPMAGCBQSP-GFCCVEGCSA-N 1 3 212.337 0.954 20 0 BCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCO)C1 ZINC000350244463 136357081 /nfs/dbraw/zinc/35/70/81/136357081.db2.gz CWZNMNXJZOGROW-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000310344640 343451281 /nfs/dbraw/zinc/45/12/81/343451281.db2.gz DWWSXALQQNPCNV-IUCAKERBSA-N 1 3 249.305 0.522 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167466588 136370631 /nfs/dbraw/zinc/37/06/31/136370631.db2.gz IATKBIPGRJJALH-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO COC(=O)[C@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000260219625 136374263 /nfs/dbraw/zinc/37/42/63/136374263.db2.gz VZGYLIOQWPEORO-NWDGAFQWSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000260219625 136374264 /nfs/dbraw/zinc/37/42/64/136374264.db2.gz VZGYLIOQWPEORO-NWDGAFQWSA-N 1 3 240.347 0.966 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000616489345 343475971 /nfs/dbraw/zinc/47/59/71/343475971.db2.gz YFZUQSKEEZXEPE-SRVKXCTJSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000616489345 343475972 /nfs/dbraw/zinc/47/59/72/343475972.db2.gz YFZUQSKEEZXEPE-SRVKXCTJSA-N 1 3 241.379 0.783 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1C[C@H](C)O ZINC000310401736 343472379 /nfs/dbraw/zinc/47/23/79/343472379.db2.gz NFOSVSYUBLMSPZ-AVGNSLFASA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C[C@H](C)O ZINC000310401736 343472381 /nfs/dbraw/zinc/47/23/81/343472381.db2.gz NFOSVSYUBLMSPZ-AVGNSLFASA-N 1 3 244.379 0.534 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420020 343530529 /nfs/dbraw/zinc/53/05/29/343530529.db2.gz LPRDYPCPWVKSST-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000580560550 365764529 /nfs/dbraw/zinc/76/45/29/365764529.db2.gz LFENLKKDWXUNFD-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCc2cn[nH]c2)C1 ZINC000379585168 343577673 /nfs/dbraw/zinc/57/76/73/343577673.db2.gz XPGYOKJUCCUYEO-QWRGUYRKSA-N 1 3 208.309 0.812 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585168 343577675 /nfs/dbraw/zinc/57/76/75/343577675.db2.gz XPGYOKJUCCUYEO-QWRGUYRKSA-N 1 3 208.309 0.812 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1CCO ZINC000380004297 365794855 /nfs/dbraw/zinc/79/48/55/365794855.db2.gz YWEUKMMRPYSLAC-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1CCO ZINC000380004297 365794857 /nfs/dbraw/zinc/79/48/57/365794857.db2.gz YWEUKMMRPYSLAC-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1CCO ZINC000380004303 365795423 /nfs/dbraw/zinc/79/54/23/365795423.db2.gz YWEUKMMRPYSLAC-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1CCO ZINC000380004303 365795425 /nfs/dbraw/zinc/79/54/25/365795425.db2.gz YWEUKMMRPYSLAC-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N(C)CCN1CCCC1 ZINC000418714458 192063950 /nfs/dbraw/zinc/06/39/50/192063950.db2.gz QIGRQIYWFIARGZ-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000418732999 192065053 /nfs/dbraw/zinc/06/50/53/192065053.db2.gz UZHFOIAZHWQZDB-NXEZZACHSA-N 1 3 242.367 0.458 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000262637346 349860925 /nfs/dbraw/zinc/86/09/25/349860925.db2.gz INDQVYNDVMPBDX-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(N)CC1 ZINC000262133544 349853013 /nfs/dbraw/zinc/85/30/13/349853013.db2.gz NBWWPAZRYQPODY-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(N)CC1 ZINC000262133544 349853015 /nfs/dbraw/zinc/85/30/15/349853015.db2.gz NBWWPAZRYQPODY-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@]1(C)CO ZINC000576644440 343756160 /nfs/dbraw/zinc/75/61/60/343756160.db2.gz FUZHMGNNXHJVHF-JHJVBQTASA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@]1(C)CO ZINC000576644440 343756162 /nfs/dbraw/zinc/75/61/62/343756162.db2.gz FUZHMGNNXHJVHF-JHJVBQTASA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000576644441 343756175 /nfs/dbraw/zinc/75/61/75/343756175.db2.gz FUZHMGNNXHJVHF-UPJWGTAASA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CCC[C@@]1(C)CO ZINC000576644441 343756177 /nfs/dbraw/zinc/75/61/77/343756177.db2.gz FUZHMGNNXHJVHF-UPJWGTAASA-N 1 3 244.379 0.440 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418731496 192065364 /nfs/dbraw/zinc/06/53/64/192065364.db2.gz SVYONPPIHKTRAJ-WDEREUQCSA-N 1 3 244.383 0.704 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418738174 192065442 /nfs/dbraw/zinc/06/54/42/192065442.db2.gz WUSAVLIAKPMMAO-UTLUCORTSA-N 1 3 228.340 0.116 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)C1CCC1 ZINC000422534824 529845471 /nfs/dbraw/zinc/84/54/71/529845471.db2.gz BRALFUZFAXZWQJ-JTQLQIEISA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159051715 346994184 /nfs/dbraw/zinc/99/41/84/346994184.db2.gz NXZJLBIZFUKMMU-MFKMUULPSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000577178663 343907342 /nfs/dbraw/zinc/90/73/42/343907342.db2.gz LYXCZQOKCDDFIN-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000040922648 187355062 /nfs/dbraw/zinc/35/50/62/187355062.db2.gz PYZOMOXTUIFUMC-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000040922648 187355063 /nfs/dbraw/zinc/35/50/63/187355063.db2.gz PYZOMOXTUIFUMC-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000129072402 343961744 /nfs/dbraw/zinc/96/17/44/343961744.db2.gz KOROXIAVZOAAGT-BBBLOLIVSA-N 1 3 213.325 0.452 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)CC(F)F ZINC000393802398 343963620 /nfs/dbraw/zinc/96/36/20/343963620.db2.gz UDCSGGCNCGQFEU-NKWVEPMBSA-N 1 3 223.267 0.068 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000155239062 344108722 /nfs/dbraw/zinc/10/87/22/344108722.db2.gz XBTQQLFEDXMCAZ-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625789986 344077433 /nfs/dbraw/zinc/07/74/33/344077433.db2.gz AAMUYKIGWUSCHP-GFCCVEGCSA-N 1 3 244.379 0.656 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625789986 344077434 /nfs/dbraw/zinc/07/74/34/344077434.db2.gz AAMUYKIGWUSCHP-GFCCVEGCSA-N 1 3 244.379 0.656 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)C2(N)CCCC2)C1 ZINC000335904620 344083536 /nfs/dbraw/zinc/08/35/36/344083536.db2.gz KGIWCDBIEJSBOA-NSHDSACASA-N 1 3 225.336 0.455 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130203504 344121845 /nfs/dbraw/zinc/12/18/45/344121845.db2.gz CHNAFPBWGWIAHM-MNOVXSKESA-N 1 3 227.352 0.476 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000130334246 344131164 /nfs/dbraw/zinc/13/11/64/344131164.db2.gz QOYNFWIKKGVYEU-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000130334246 344131165 /nfs/dbraw/zinc/13/11/65/344131165.db2.gz QOYNFWIKKGVYEU-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000130559189 344147989 /nfs/dbraw/zinc/14/79/89/344147989.db2.gz JAICIVGZINGAJC-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000518359290 344210510 /nfs/dbraw/zinc/21/05/10/344210510.db2.gz WYSUMEYSBUKLDC-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000518359290 344210511 /nfs/dbraw/zinc/21/05/11/344210511.db2.gz WYSUMEYSBUKLDC-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CN1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CCC1=O ZINC000086404515 344216780 /nfs/dbraw/zinc/21/67/80/344216780.db2.gz CDUGVOHVQVACLC-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO CN1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)CCC1=O ZINC000086404515 344216781 /nfs/dbraw/zinc/21/67/81/344216781.db2.gz CDUGVOHVQVACLC-GARJFASQSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH2+]CCCN(C)CC[C@H]1CCOC1 ZINC000400616404 529964577 /nfs/dbraw/zinc/96/45/77/529964577.db2.gz IZTIGNHGTFZCDZ-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@H+](C)CC[C@H]1CCOC1 ZINC000400616404 529964578 /nfs/dbraw/zinc/96/45/78/529964578.db2.gz IZTIGNHGTFZCDZ-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+](C)CC[C@H]1CCOC1 ZINC000400616404 529964579 /nfs/dbraw/zinc/96/45/79/529964579.db2.gz IZTIGNHGTFZCDZ-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000084420058 344192066 /nfs/dbraw/zinc/19/20/66/344192066.db2.gz NPKCJGFGKCXMSA-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000132008310 344249814 /nfs/dbraw/zinc/24/98/14/344249814.db2.gz XAPHNVWAYSPLNZ-UWVGGRQHSA-N 1 3 215.341 0.556 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000309450577 344283418 /nfs/dbraw/zinc/28/34/18/344283418.db2.gz MLMYIFWUBUDSOD-NXEZZACHSA-N 1 3 215.341 0.618 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000093210364 344312153 /nfs/dbraw/zinc/31/21/53/344312153.db2.gz GMVHTLIHGMCHSR-QWHCGFSZSA-N 1 3 241.379 0.568 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCCN2CCOCC2)C1 ZINC000093210364 344312155 /nfs/dbraw/zinc/31/21/55/344312155.db2.gz GMVHTLIHGMCHSR-QWHCGFSZSA-N 1 3 241.379 0.568 20 0 BCADHO NC(=O)C1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000093214320 344312449 /nfs/dbraw/zinc/31/24/49/344312449.db2.gz VDRMBFNVLZHHQU-ADPBJBESSA-N 1 3 239.363 0.890 20 0 BCADHO NC(=O)C1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000093214321 344312751 /nfs/dbraw/zinc/31/27/51/344312751.db2.gz VDRMBFNVLZHHQU-RSJDFQLWSA-N 1 3 239.363 0.890 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309395564 347046093 /nfs/dbraw/zinc/04/60/93/347046093.db2.gz GNVWMHMPTFNPOZ-AEJSXWLSSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000131707988 344325194 /nfs/dbraw/zinc/32/51/94/344325194.db2.gz UUAOILRZBOSUNN-ZJUUUORDSA-N 1 3 213.325 0.086 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000131764202 344333559 /nfs/dbraw/zinc/33/35/59/344333559.db2.gz FHYGREVZVFTNOS-UWVGGRQHSA-N 1 3 245.392 0.277 20 0 BCADHO COC(=O)CCCCN1CCC(O)(C[NH3+])CC1 ZINC000600707593 344360129 /nfs/dbraw/zinc/36/01/29/344360129.db2.gz BWZVYOWPELIATJ-UHFFFAOYSA-N 1 3 244.335 0.115 20 0 BCADHO COC(=O)CCCC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000600709056 344361229 /nfs/dbraw/zinc/36/12/29/344361229.db2.gz NXFOCDQSEJAQLA-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000600709056 344361230 /nfs/dbraw/zinc/36/12/30/344361230.db2.gz NXFOCDQSEJAQLA-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000577278358 344481671 /nfs/dbraw/zinc/48/16/71/344481671.db2.gz CPXXBLVDOCFUPG-OUAUKWLOSA-N 1 3 225.336 0.038 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577278356 344481707 /nfs/dbraw/zinc/48/17/07/344481707.db2.gz CPXXBLVDOCFUPG-GMTAPVOTSA-N 1 3 225.336 0.038 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)CCC[NH3+] ZINC000036999102 344484862 /nfs/dbraw/zinc/48/48/62/344484862.db2.gz BOCFJBWCMUIDFP-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000036999033 344485269 /nfs/dbraw/zinc/48/52/69/344485269.db2.gz QQWSFKHPAOXHMA-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO C(CN1CCCCC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000080961042 344489316 /nfs/dbraw/zinc/48/93/16/344489316.db2.gz NWBFOYQNVCOQBI-CHWSQXEVSA-N 1 3 223.364 0.624 20 0 BCADHO C(CN1CCCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000080961040 344489324 /nfs/dbraw/zinc/48/93/24/344489324.db2.gz NWBFOYQNVCOQBI-BETUJISGSA-N 1 3 223.364 0.624 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484944 344508631 /nfs/dbraw/zinc/50/86/31/344508631.db2.gz IIDFUFANGWLBQH-JQWIXIFHSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484944 344508633 /nfs/dbraw/zinc/50/86/33/344508633.db2.gz IIDFUFANGWLBQH-JQWIXIFHSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NC1CCN(C)CC1 ZINC000037481391 344508977 /nfs/dbraw/zinc/50/89/77/344508977.db2.gz QTKCEGJKYWNAQV-LBPRGKRZSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC(C[NH3+])CC1 ZINC000044514354 344541181 /nfs/dbraw/zinc/54/11/81/344541181.db2.gz RCQQCCSMTFTHAS-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO COC(=O)CCCN1CCC(C[NH3+])CC1 ZINC000044513177 344541226 /nfs/dbraw/zinc/54/12/26/344541226.db2.gz MYDOPPOHACGMER-UHFFFAOYSA-N 1 3 214.309 0.610 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000672754382 488265536 /nfs/dbraw/zinc/26/55/36/488265536.db2.gz NTLQBRRBFBQECZ-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812639 344590861 /nfs/dbraw/zinc/59/08/61/344590861.db2.gz BCJNEUKROUPJDA-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812639 344590864 /nfs/dbraw/zinc/59/08/64/344590864.db2.gz BCJNEUKROUPJDA-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037826224 344593249 /nfs/dbraw/zinc/59/32/49/344593249.db2.gz ZBBGEDIFJXLUGD-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCCC[N@H+](C)CC1CCN(C(=O)CN)CC1 ZINC000037825966 344593317 /nfs/dbraw/zinc/59/33/17/344593317.db2.gz JGNMTHUXXOBQBC-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN)CC1 ZINC000037825966 344593320 /nfs/dbraw/zinc/59/33/20/344593320.db2.gz JGNMTHUXXOBQBC-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000309834007 259377921 /nfs/dbraw/zinc/37/79/21/259377921.db2.gz ZLNREVROHMXUPI-UTINFBMNSA-N 1 3 213.325 0.226 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)CC(F)F ZINC000309414156 347057192 /nfs/dbraw/zinc/05/71/92/347057192.db2.gz IZHJBWFAAKYGBU-ZETCQYMHSA-N 1 3 223.267 0.085 20 0 BCADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H](C)[NH3+])C1 ZINC000641423672 362408183 /nfs/dbraw/zinc/40/81/83/362408183.db2.gz DNRIWVRFLPEXGX-QWRGUYRKSA-N 1 3 242.367 0.458 20 0 BCADHO CC[NH+]1CCC(CCNC(=O)CN)CC1 ZINC000237065947 344587290 /nfs/dbraw/zinc/58/72/90/344587290.db2.gz FZPNJEDITMCPJH-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N(C)CCN(C)C1CC1 ZINC000641494345 362461193 /nfs/dbraw/zinc/46/11/93/362461193.db2.gz VIYVZTQLNMADID-SECBINFHSA-N 1 3 228.340 0.069 20 0 BCADHO CCN(CC)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152625143 344648862 /nfs/dbraw/zinc/64/88/62/344648862.db2.gz JCVIAWWPSCYFPV-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578191569 344723636 /nfs/dbraw/zinc/72/36/36/344723636.db2.gz YCIPPMJNKXGECU-HBNTYKKESA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000370798438 187292477 /nfs/dbraw/zinc/29/24/77/187292477.db2.gz NVCMBTQMNIVZHF-KOLCDFICSA-N 1 3 231.315 0.178 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027663 344847955 /nfs/dbraw/zinc/84/79/55/344847955.db2.gz WODLEYTUKVXNSW-GRYCIOLGSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)(N)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000675072881 537870535 /nfs/dbraw/zinc/87/05/35/537870535.db2.gz OGVUMVKEBPHNMT-SNVBAGLBSA-N 1 3 237.351 0.862 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)C1CCN(C)CC1 ZINC000429351833 192080950 /nfs/dbraw/zinc/08/09/50/192080950.db2.gz GMNWEQDHUJWSIW-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H](C)N1 ZINC000153595589 344914350 /nfs/dbraw/zinc/91/43/50/344914350.db2.gz DDRXAVSYGVDAKX-DTORHVGOSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H](C)N1 ZINC000153595692 344915902 /nfs/dbraw/zinc/91/59/02/344915902.db2.gz DDRXAVSYGVDAKX-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO C([C@H]1CCSC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000224617570 344954002 /nfs/dbraw/zinc/95/40/02/344954002.db2.gz CCFGJHWGJNKRNF-MXWKQRLJSA-N 1 3 212.362 0.891 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000154395876 345030837 /nfs/dbraw/zinc/03/08/37/345030837.db2.gz XDIHQQKFEGDROS-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(CC)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634949562 345125870 /nfs/dbraw/zinc/12/58/70/345125870.db2.gz UWDPVGXJNQVBBH-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CC(C)NCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000566507887 345130801 /nfs/dbraw/zinc/13/08/01/345130801.db2.gz MSVNPEIQTMWAID-SNVBAGLBSA-N 1 3 213.325 0.100 20 0 BCADHO CN(C[C@H]1CCCN1C)CC12CC(C1)C[NH2+]2 ZINC000634996567 345189071 /nfs/dbraw/zinc/18/90/71/345189071.db2.gz NWRAMEDIDNXXAZ-OTTFEQOBSA-N 1 3 223.364 0.764 20 0 BCADHO CN(C[C@@H]1CCCN1C)CC12CC(C1)C[NH2+]2 ZINC000634996566 345189084 /nfs/dbraw/zinc/18/90/84/345189084.db2.gz NWRAMEDIDNXXAZ-CPCZMJQVSA-N 1 3 223.364 0.764 20 0 BCADHO C[C@@H]1CN(C)[C@@H](C)CN1CC12CC(C1)C[NH2+]2 ZINC000634994215 345192802 /nfs/dbraw/zinc/19/28/02/345192802.db2.gz VWOFQFXFBXWPOL-ZFDZMSFRSA-N 1 3 223.364 0.763 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CCN1C ZINC000565042187 345194053 /nfs/dbraw/zinc/19/40/53/345194053.db2.gz XTJUMPKPOBKWKL-DCQANWLSSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)[C@H](C[NH3+])CN1CC[C@@H](F)[C@H](N)C1 ZINC000634997550 345196682 /nfs/dbraw/zinc/19/66/82/345196682.db2.gz NSIOOEQDSOZVNU-GMTAPVOTSA-N 1 3 217.332 0.588 20 0 BCADHO COC[C@@H](C)C[NH+]1CCC(NCCO)CC1 ZINC000635002675 345205122 /nfs/dbraw/zinc/20/51/22/345205122.db2.gz XKVIWYFPMREFBW-NSHDSACASA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)OCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000635012039 345213475 /nfs/dbraw/zinc/21/34/75/345213475.db2.gz IVOGUSGSEZHESL-IJLUTSLNSA-N 1 3 230.352 0.753 20 0 BCADHO C[C@@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)C1C[NH2+]C1 ZINC000563087791 323091224 /nfs/dbraw/zinc/09/12/24/323091224.db2.gz PYNYCWOWVCEQEE-KXUCPTDWSA-N 1 3 225.336 0.051 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H]1CO ZINC000196724675 345743537 /nfs/dbraw/zinc/74/35/37/345743537.db2.gz UADKQUVEIVBWKQ-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CCC[C@@H]1CO ZINC000196724675 345743539 /nfs/dbraw/zinc/74/35/39/345743539.db2.gz UADKQUVEIVBWKQ-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000143801049 345707125 /nfs/dbraw/zinc/70/71/25/345707125.db2.gz PDRPOPQXTNHZFH-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635557992 345717057 /nfs/dbraw/zinc/71/70/57/345717057.db2.gz GJNGCNUQELVCRX-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]CCN1CCNC[C@@H]1c1ccccc1 ZINC000165680169 345721220 /nfs/dbraw/zinc/72/12/20/345721220.db2.gz POGULABTNNMVHZ-GFCCVEGCSA-N 1 3 205.305 0.592 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(CCCO)CC1 ZINC000211705200 345737878 /nfs/dbraw/zinc/73/78/78/345737878.db2.gz AMQKILZDRJETKP-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CN(C)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000211705200 345737881 /nfs/dbraw/zinc/73/78/81/345737881.db2.gz AMQKILZDRJETKP-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CN(C)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000211705200 345737884 /nfs/dbraw/zinc/73/78/84/345737884.db2.gz AMQKILZDRJETKP-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO NC[C@H]1c2ccccc2CCN1CCC[NH3+] ZINC000140683499 345856955 /nfs/dbraw/zinc/85/69/55/345856955.db2.gz VOHIHDSYOSCODG-ZDUSSCGKSA-N 1 3 219.332 0.893 20 0 BCADHO C[NH+](C)CC1(C(=O)N2CCNC(C)(C)C2)CC1 ZINC000635646805 345922717 /nfs/dbraw/zinc/92/27/17/345922717.db2.gz YWVFRHUBHAFRCF-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000563171319 323099825 /nfs/dbraw/zinc/09/98/25/323099825.db2.gz WEPVDXQCFIUGJN-CIUDSAMLSA-N 1 3 213.325 0.369 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(C)CC1 ZINC000570973444 323102423 /nfs/dbraw/zinc/10/24/23/323102423.db2.gz BCAUGESACKULPY-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H]1C[C@H](C)N(C(=O)CNC2CC2)C[C@H]1C[NH3+] ZINC000571037697 323104390 /nfs/dbraw/zinc/10/43/90/323104390.db2.gz IBZIGLVKOBLUHH-OUAUKWLOSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000380161466 346200500 /nfs/dbraw/zinc/20/05/00/346200500.db2.gz BMEBYYLGUASHJT-MRVPVSSYSA-N 1 3 201.314 0.357 20 0 BCADHO CN(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000069626539 349950662 /nfs/dbraw/zinc/95/06/62/349950662.db2.gz DTXJQIBRVINGJJ-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC(CC[NH3+])CC1 ZINC000069729904 349953809 /nfs/dbraw/zinc/95/38/09/349953809.db2.gz LPGCQDQVUMFSGQ-SNVBAGLBSA-N 1 3 227.352 0.524 20 0 BCADHO CCCN(CCN(C)C)C(=O)CCCC[NH3+] ZINC000069734087 349956342 /nfs/dbraw/zinc/95/63/42/349956342.db2.gz SNBZVMCHIUSCST-UHFFFAOYSA-N 1 3 229.368 0.916 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CCCC[NH3+] ZINC000069734277 349956355 /nfs/dbraw/zinc/95/63/55/349956355.db2.gz HIQQHZXYXRAZMP-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CCN(C)CCNC(=O)CCCC[NH3+] ZINC000069734226 349956408 /nfs/dbraw/zinc/95/64/08/349956408.db2.gz LIBFAZUWOHKMAT-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO C[C@H]1CN(CCc2cncn2C)CC[C@@H]1[NH3+] ZINC000641795865 362736779 /nfs/dbraw/zinc/73/67/79/362736779.db2.gz APDPFBASMYPSBI-JQWIXIFHSA-N 1 3 222.336 0.632 20 0 BCADHO Cn1cncc1CC[N@H+](C)CC(C)(C)CN ZINC000641795879 362736839 /nfs/dbraw/zinc/73/68/39/362736839.db2.gz ASDSMUCNUPZJPJ-UHFFFAOYSA-N 1 3 224.352 0.879 20 0 BCADHO Cn1cncc1CC[N@@H+](C)CC(C)(C)CN ZINC000641795879 362736843 /nfs/dbraw/zinc/73/68/43/362736843.db2.gz ASDSMUCNUPZJPJ-UHFFFAOYSA-N 1 3 224.352 0.879 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000069840024 349962147 /nfs/dbraw/zinc/96/21/47/349962147.db2.gz KHXXMVWCDNFTLB-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@](C[NH3+])(NCCc1cn[nH]c1)C1CC1 ZINC000641797540 362742583 /nfs/dbraw/zinc/74/25/83/362742583.db2.gz DZAVXUJMBSEWGJ-NSHDSACASA-N 1 3 208.309 0.669 20 0 BCADHO Cn1cncc1CCN1CC[C@@](C)(C[NH3+])C1 ZINC000641799213 362746808 /nfs/dbraw/zinc/74/68/08/362746808.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000641799213 362746813 /nfs/dbraw/zinc/74/68/13/362746813.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000641799213 362746820 /nfs/dbraw/zinc/74/68/20/362746820.db2.gz OIKRABUMOOEKPC-LBPRGKRZSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]1N ZINC000641799437 362748751 /nfs/dbraw/zinc/74/87/51/362748751.db2.gz MWGBQIYGOOAATC-VXGBXAGGSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1cncc1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000641799437 362748759 /nfs/dbraw/zinc/74/87/59/362748759.db2.gz MWGBQIYGOOAATC-VXGBXAGGSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1cncc1CCN[C@H](C[NH3+])C(C)(C)C ZINC000641799721 362749025 /nfs/dbraw/zinc/74/90/25/362749025.db2.gz QBFVZKMBBGYYIC-LLVKDONJSA-N 1 3 224.352 0.926 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000580071858 346511861 /nfs/dbraw/zinc/51/18/61/346511861.db2.gz OVUSLKQSLXIHOG-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000641801494 362755289 /nfs/dbraw/zinc/75/52/89/362755289.db2.gz RFNQMBRXROUQCU-AEJSXWLSSA-N 1 3 235.335 0.481 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCc2ncnn21 ZINC000641801494 362755292 /nfs/dbraw/zinc/75/52/92/362755292.db2.gz RFNQMBRXROUQCU-AEJSXWLSSA-N 1 3 235.335 0.481 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000580631938 365833481 /nfs/dbraw/zinc/83/34/81/365833481.db2.gz GQVABUKVVWVSPR-MNOVXSKESA-N 1 3 229.368 0.864 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000300419969 346673057 /nfs/dbraw/zinc/67/30/57/346673057.db2.gz BIHCHFYVRFRIFT-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CSCCN1 ZINC000563617204 323131742 /nfs/dbraw/zinc/13/17/42/323131742.db2.gz DQTONIZYRCUWTG-GUBZILKMSA-N 1 3 243.376 0.030 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580650419 365844730 /nfs/dbraw/zinc/84/47/30/365844730.db2.gz QMMALZARLGRCQH-WZRBSPASSA-N 1 3 237.347 0.196 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484941 346699795 /nfs/dbraw/zinc/69/97/95/346699795.db2.gz TWGJYSXRARKWDZ-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484941 346699799 /nfs/dbraw/zinc/69/97/99/346699799.db2.gz TWGJYSXRARKWDZ-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000622004683 370655617 /nfs/dbraw/zinc/65/56/17/370655617.db2.gz SKDOXFHEYDHGGQ-FRRDWIJNSA-N 1 3 226.364 0.936 20 0 BCADHO C[NH2+]CCOCCN(C)CCc1cncn1C ZINC000641819953 362771256 /nfs/dbraw/zinc/77/12/56/362771256.db2.gz JJHGJUNTHSBSEA-UHFFFAOYSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325517 347207178 /nfs/dbraw/zinc/20/71/78/347207178.db2.gz DQDRBJYGELVINO-GHMZBOCLSA-N 1 3 228.336 0.855 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000336753025 347217061 /nfs/dbraw/zinc/21/70/61/347217061.db2.gz WDTPBUVHEGQWNE-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019425554 347323436 /nfs/dbraw/zinc/32/34/36/347323436.db2.gz YMXSPVBRYFATPH-QMMMGPOBSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C1(N)CCC1 ZINC000088050872 362840544 /nfs/dbraw/zinc/84/05/44/362840544.db2.gz GJXZTEGJYHYRHZ-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH+](C)C ZINC000571579716 323148363 /nfs/dbraw/zinc/14/83/63/323148363.db2.gz KJWJCBVAORVXAV-RYUDHWBXSA-N 1 3 241.379 0.642 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[N@H+](C)CC ZINC000054133343 347468850 /nfs/dbraw/zinc/46/88/50/347468850.db2.gz RMVLIUYOWRDXKN-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054133343 347468854 /nfs/dbraw/zinc/46/88/54/347468854.db2.gz RMVLIUYOWRDXKN-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000382974017 347517676 /nfs/dbraw/zinc/51/76/76/347517676.db2.gz SACAVOJCOBFFEM-ZYHUDNBSSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]([NH3+])C1CCN(Cc2cnn(C)c2)CC1 ZINC000082474650 347615411 /nfs/dbraw/zinc/61/54/11/347615411.db2.gz YLHNKAKRHMATGC-JTQLQIEISA-N 1 3 222.336 0.979 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000591430092 347655333 /nfs/dbraw/zinc/65/53/33/347655333.db2.gz XTCXSEATEJXJQT-NXEZZACHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000591430092 347655335 /nfs/dbraw/zinc/65/53/35/347655335.db2.gz XTCXSEATEJXJQT-NXEZZACHSA-N 1 3 213.325 0.004 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591423104 347657600 /nfs/dbraw/zinc/65/76/00/347657600.db2.gz CRGSVPJXVNDYTD-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591423104 347657605 /nfs/dbraw/zinc/65/76/05/347657605.db2.gz CRGSVPJXVNDYTD-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333390282 537991992 /nfs/dbraw/zinc/99/19/92/537991992.db2.gz OSKFXMYUQHZAJA-QWRGUYRKSA-N 1 3 239.363 0.490 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C1CC1 ZINC000591456799 347664857 /nfs/dbraw/zinc/66/48/57/347664857.db2.gz YGECWXNEVFFUGQ-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C1CC1 ZINC000591456799 347664861 /nfs/dbraw/zinc/66/48/61/347664861.db2.gz YGECWXNEVFFUGQ-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)C(C)C ZINC000041680070 347799478 /nfs/dbraw/zinc/79/94/78/347799478.db2.gz PJNBBBYNBFLDHM-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CCOC(=O)CC[NH2+]CC1(N)CCC1 ZINC000592485580 347786482 /nfs/dbraw/zinc/78/64/82/347786482.db2.gz NCBXTOHUSWDPPO-UHFFFAOYSA-N 1 3 200.282 0.411 20 0 BCADHO CC(C)OC(=O)CCN(C)CCC[NH3+] ZINC000592474256 347790717 /nfs/dbraw/zinc/79/07/17/347790717.db2.gz MDTNTBQMNILTHB-UHFFFAOYSA-N 1 3 202.298 0.609 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000577392120 365944477 /nfs/dbraw/zinc/94/44/77/365944477.db2.gz OQOPVWAUIDSSIC-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000577399537 365945942 /nfs/dbraw/zinc/94/59/42/365945942.db2.gz LQLJSVIEKFNKSK-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000577399026 365946027 /nfs/dbraw/zinc/94/60/27/365946027.db2.gz HOXJHKLGBVDTNR-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000577399026 365946028 /nfs/dbraw/zinc/94/60/28/365946028.db2.gz HOXJHKLGBVDTNR-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CCN1C[C@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1=O ZINC000391613368 323179014 /nfs/dbraw/zinc/17/90/14/323179014.db2.gz DWCKDAXZDCRMDB-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1C[C@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1=O ZINC000391613368 323179015 /nfs/dbraw/zinc/17/90/15/323179015.db2.gz DWCKDAXZDCRMDB-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939131 348409283 /nfs/dbraw/zinc/40/92/83/348409283.db2.gz FACYNVYJYNZCMH-UWVGGRQHSA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000595955024 348404153 /nfs/dbraw/zinc/40/41/53/348404153.db2.gz HMGIBJDDBNTKDK-SECBINFHSA-N 1 3 245.392 0.455 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000207820435 348826352 /nfs/dbraw/zinc/82/63/52/348826352.db2.gz DNQGFKUKDWIMFO-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000054076104 348878789 /nfs/dbraw/zinc/87/87/89/348878789.db2.gz DWZXVGSVBCZHNO-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@H](C)NC)CC1 ZINC000054076230 348879245 /nfs/dbraw/zinc/87/92/45/348879245.db2.gz WJHNXHMTMQIXIX-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH+]1CCC(CNC(=O)[C@H](C)NC)CC1 ZINC000054076740 348879831 /nfs/dbraw/zinc/87/98/31/348879831.db2.gz PQKUJPSBFDQROF-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133678 349082891 /nfs/dbraw/zinc/08/28/91/349082891.db2.gz JFKRGQUKNXQGEN-LLVKDONJSA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133678 349082894 /nfs/dbraw/zinc/08/28/94/349082894.db2.gz JFKRGQUKNXQGEN-LLVKDONJSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](C)O)C1 ZINC000250028578 349166124 /nfs/dbraw/zinc/16/61/24/349166124.db2.gz RXFYIRWIPGXFBJ-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CCC[N@H+]1CC[C@H](CNC[C@H](C)O)C1 ZINC000250028578 349166127 /nfs/dbraw/zinc/16/61/27/349166127.db2.gz RXFYIRWIPGXFBJ-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000250028578 349166130 /nfs/dbraw/zinc/16/61/30/349166130.db2.gz RXFYIRWIPGXFBJ-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](C)O)C1 ZINC000250028571 349166532 /nfs/dbraw/zinc/16/65/32/349166532.db2.gz RXFYIRWIPGXFBJ-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNC[C@H](C)O)C1 ZINC000250028571 349166533 /nfs/dbraw/zinc/16/65/33/349166533.db2.gz RXFYIRWIPGXFBJ-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC000250028571 349166539 /nfs/dbraw/zinc/16/65/39/349166539.db2.gz RXFYIRWIPGXFBJ-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252851469 349218937 /nfs/dbraw/zinc/21/89/37/349218937.db2.gz IBQUEOKFVAYRRW-QCNOEVLYSA-N 1 3 239.363 0.665 20 0 BCADHO [NH3+]CCCN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000212153144 349303006 /nfs/dbraw/zinc/30/30/06/349303006.db2.gz CKVUTCWIOHESMQ-LBPRGKRZSA-N 1 3 239.363 0.670 20 0 BCADHO CN(C)Cc1cccc(NC(=O)NC2C[NH2+]C2)c1 ZINC000623057316 349331510 /nfs/dbraw/zinc/33/15/10/349331510.db2.gz LYOBLGCNXMNBKA-UHFFFAOYSA-N 1 3 248.330 0.842 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCC[C@H]1CN(C)C ZINC000061645194 349376612 /nfs/dbraw/zinc/37/66/12/349376612.db2.gz WFCRIVVQKRVPSJ-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000422545898 192425552 /nfs/dbraw/zinc/42/55/52/192425552.db2.gz XXYWJQWUVJCSLT-SCZZXKLOSA-N 1 3 213.325 0.228 20 0 BCADHO CCN(C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070542280 350019258 /nfs/dbraw/zinc/01/92/58/350019258.db2.gz NKKWFVQFUPCCIQ-UHFFFAOYSA-N 1 3 249.358 0.869 20 0 BCADHO COCC[C@H](CO)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000300898429 349418877 /nfs/dbraw/zinc/41/88/77/349418877.db2.gz QPBUXUQZJBPZEJ-GARJFASQSA-N 1 3 216.325 0.243 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334242401 538061842 /nfs/dbraw/zinc/06/18/42/538061842.db2.gz XKCYHARKZLFPSG-YPMHNXCESA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000133789492 191042510 /nfs/dbraw/zinc/04/25/10/191042510.db2.gz BHGXIKBYMBENEH-NEPJUHHUSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000133789492 191042512 /nfs/dbraw/zinc/04/25/12/191042512.db2.gz BHGXIKBYMBENEH-NEPJUHHUSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000236647796 191059903 /nfs/dbraw/zinc/05/99/03/191059903.db2.gz CRIJTGTZLGDVOB-VIFPVBQESA-N 1 3 201.314 0.132 20 0 BCADHO CC(C)N(C)CC(=O)NC1CCC([NH3+])CC1 ZINC000236648541 191060077 /nfs/dbraw/zinc/06/00/77/191060077.db2.gz ZJQCLJVHUBABAP-UHFFFAOYSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236701264 191061071 /nfs/dbraw/zinc/06/10/71/191061071.db2.gz IMFKOAALTULNCO-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484902 323284081 /nfs/dbraw/zinc/28/40/81/323284081.db2.gz SFONRDQYIAQCBS-VWYCJHECSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484902 323284083 /nfs/dbraw/zinc/28/40/83/323284083.db2.gz SFONRDQYIAQCBS-VWYCJHECSA-N 1 3 227.352 0.428 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CNC1(CO)CCCC1 ZINC000309233666 350215161 /nfs/dbraw/zinc/21/51/61/350215161.db2.gz JDZLAQHBLSFEIG-NSHDSACASA-N 1 3 230.352 0.194 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CNC1(CO)CCCC1 ZINC000309233666 350215165 /nfs/dbraw/zinc/21/51/65/350215165.db2.gz JDZLAQHBLSFEIG-NSHDSACASA-N 1 3 230.352 0.194 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427604377 191083585 /nfs/dbraw/zinc/08/35/85/191083585.db2.gz PBJYPOAVNGOWLW-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000427565301 191082040 /nfs/dbraw/zinc/08/20/40/191082040.db2.gz NDTDFJYDKSSMBD-UTUOFQBUSA-N 1 3 241.379 0.687 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000427614382 191085064 /nfs/dbraw/zinc/08/50/64/191085064.db2.gz WPUSACYJBKDKKA-NHCYSSNCSA-N 1 3 227.352 0.618 20 0 BCADHO CCC[C@H](C(=O)N1CCC[C@H]([NH2+]C)C1)N(C)C ZINC000422775039 192463304 /nfs/dbraw/zinc/46/33/04/192463304.db2.gz ZNIBPWOLNQFUSQ-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)CC[NH3+] ZINC000309101791 323317420 /nfs/dbraw/zinc/31/74/20/323317420.db2.gz GDMYIIRUHUAQBE-SCZZXKLOSA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000428207147 191092107 /nfs/dbraw/zinc/09/21/07/191092107.db2.gz UTVUPKFVPSRNTB-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465047 350343573 /nfs/dbraw/zinc/34/35/73/350343573.db2.gz FELAXHGUNUOFBT-AXFHLTTASA-N 1 3 227.352 0.426 20 0 BCADHO CCN1CCC[C@@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000069839778 350415021 /nfs/dbraw/zinc/41/50/21/350415021.db2.gz UNJCFRKZNNDVCV-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C1(N)CCOCC1 ZINC000338134204 350671039 /nfs/dbraw/zinc/67/10/39/350671039.db2.gz NJCFJVBPOGUYHY-JTQLQIEISA-N 1 3 243.351 0.128 20 0 BCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCCO1 ZINC000346608336 365990369 /nfs/dbraw/zinc/99/03/69/365990369.db2.gz PKCKBXKGXMWLQS-NWDGAFQWSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@H](N)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000309517933 350694060 /nfs/dbraw/zinc/69/40/60/350694060.db2.gz ZFXBJSUTSICTDJ-UWVGGRQHSA-N 1 3 211.309 0.077 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398051669 362993295 /nfs/dbraw/zinc/99/32/95/362993295.db2.gz ASCIDUBSHXANJL-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520646 351071085 /nfs/dbraw/zinc/07/10/85/351071085.db2.gz ZVQJUSGUCPKEOZ-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000088051444 351540552 /nfs/dbraw/zinc/54/05/52/351540552.db2.gz XQZDJOANQFQXPE-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000637802711 351634850 /nfs/dbraw/zinc/63/48/50/351634850.db2.gz SZGANNASKXXHNH-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637803257 351638945 /nfs/dbraw/zinc/63/89/45/351638945.db2.gz BPLDSSKEINGUEM-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](N)CCC(C)C ZINC000637805475 351641622 /nfs/dbraw/zinc/64/16/22/351641622.db2.gz IJZJZYOEMBKTRD-JTQLQIEISA-N 1 3 215.341 0.476 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000637806644 351643954 /nfs/dbraw/zinc/64/39/54/351643954.db2.gz ZORSYJJEJNPVMI-GFCCVEGCSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637815811 351654631 /nfs/dbraw/zinc/65/46/31/351654631.db2.gz XVCLJDAFGOZTBT-RYUDHWBXSA-N 1 3 241.379 0.866 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000637835348 351686315 /nfs/dbraw/zinc/68/63/15/351686315.db2.gz MJBQPDJYHIKGIR-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000637837377 351691511 /nfs/dbraw/zinc/69/15/11/351691511.db2.gz FMPFNIXGXSJZNM-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH3+])N(C)C ZINC000637843124 351701788 /nfs/dbraw/zinc/70/17/88/351701788.db2.gz VVGBILPODNQQQF-RKDXNWHRSA-N 1 3 201.314 0.132 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000637846069 351704473 /nfs/dbraw/zinc/70/44/73/351704473.db2.gz URKTZWSUTCERAJ-SRVKXCTJSA-N 1 3 241.379 0.946 20 0 BCADHO CC1(C)CNCCN1C(=O)CCC1C[NH2+]C1 ZINC000637857971 351718468 /nfs/dbraw/zinc/71/84/68/351718468.db2.gz VUEFGBSMMSBDGV-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CCC(C)C ZINC000637861305 351721942 /nfs/dbraw/zinc/72/19/42/351721942.db2.gz FBZPXJLQSCRBQA-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCN1C ZINC000626986082 363084851 /nfs/dbraw/zinc/08/48/51/363084851.db2.gz ADMLFSCBNCVFTH-GARJFASQSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000637853075 351708911 /nfs/dbraw/zinc/70/89/11/351708911.db2.gz KWJOOBMKJCBALC-JTQLQIEISA-N 1 3 215.341 0.557 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000637854132 351713287 /nfs/dbraw/zinc/71/32/87/351713287.db2.gz DKOBTHMEOADOKD-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638076332 351948480 /nfs/dbraw/zinc/94/84/80/351948480.db2.gz KKWDNYZVQARALJ-MNOVXSKESA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000638069359 351941291 /nfs/dbraw/zinc/94/12/91/351941291.db2.gz JMNCTBKFKPFMIA-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638076983 351948646 /nfs/dbraw/zinc/94/86/46/351948646.db2.gz NYPFEYKZAVZGCC-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638076623 351949805 /nfs/dbraw/zinc/94/98/05/351949805.db2.gz ZQLGWTHJSWBWOZ-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638076623 351949808 /nfs/dbraw/zinc/94/98/08/351949808.db2.gz ZQLGWTHJSWBWOZ-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO CN1CCC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638077837 351950717 /nfs/dbraw/zinc/95/07/17/351950717.db2.gz BHBRBMHFGPZHKT-GHMZBOCLSA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C ZINC000638080223 351953468 /nfs/dbraw/zinc/95/34/68/351953468.db2.gz MYVHYGXIYQYAMO-BDAKNGLRSA-N 1 3 201.314 0.051 20 0 BCADHO CN(CCNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638081631 351954355 /nfs/dbraw/zinc/95/43/55/351954355.db2.gz BAIONYCNGOMFHM-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000638081128 351954497 /nfs/dbraw/zinc/95/44/97/351954497.db2.gz VBTPMQBDDYFRQJ-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000638082001 351955577 /nfs/dbraw/zinc/95/55/77/351955577.db2.gz RPUDUBBZLCHYJQ-QWRGUYRKSA-N 1 3 235.331 0.387 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN(C)C1CC1 ZINC000638085458 351962173 /nfs/dbraw/zinc/96/21/73/351962173.db2.gz ZXMPSVXAYJREBN-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000638093138 351971680 /nfs/dbraw/zinc/97/16/80/351971680.db2.gz BOOVQHQVJWTNCV-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638095637 351975663 /nfs/dbraw/zinc/97/56/63/351975663.db2.gz AENKMULSFQOGDL-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638096586 351976867 /nfs/dbraw/zinc/97/68/67/351976867.db2.gz JZBATHXDWVILRC-LLVKDONJSA-N 1 3 237.347 0.634 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000638100577 351980926 /nfs/dbraw/zinc/98/09/26/351980926.db2.gz KFRATBXVYWMEBL-UWVGGRQHSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CC[C@@H](C)C1 ZINC000638125981 351997255 /nfs/dbraw/zinc/99/72/55/351997255.db2.gz HUNPEORFRSLLND-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000638175937 352041920 /nfs/dbraw/zinc/04/19/20/352041920.db2.gz ACPVIAUBGWANQX-KCJUWKMLSA-N 1 3 236.319 0.375 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638175934 352042040 /nfs/dbraw/zinc/04/20/40/352042040.db2.gz ACPVIAUBGWANQX-GZMMTYOYSA-N 1 3 236.319 0.375 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)Cc1nc[nH]c1C ZINC000638212865 352075351 /nfs/dbraw/zinc/07/53/51/352075351.db2.gz OIVFRXXXPHWBSC-MRVPVSSYSA-N 1 3 224.308 0.375 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638196143 352060095 /nfs/dbraw/zinc/06/00/95/352060095.db2.gz WEUOYLNWMJBZJE-ZJUUUORDSA-N 1 3 213.325 0.243 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000638199570 352063544 /nfs/dbraw/zinc/06/35/44/352063544.db2.gz DDBZLTZIFNJQAQ-SRVKXCTJSA-N 1 3 241.379 0.864 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638201943 352066335 /nfs/dbraw/zinc/06/63/35/352066335.db2.gz NOLLYNXXVTXHSW-IVZWLZJFSA-N 1 3 213.325 0.099 20 0 BCADHO C[C@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907643 352069790 /nfs/dbraw/zinc/06/97/90/352069790.db2.gz DHNHIRIDJWBWLF-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CC[NH2+][C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000638156060 352019173 /nfs/dbraw/zinc/01/91/73/352019173.db2.gz RGEPXZXLZWDCDE-SECBINFHSA-N 1 3 248.330 0.664 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214325 352076455 /nfs/dbraw/zinc/07/64/55/352076455.db2.gz YXXYKKBCAQANQX-TUAOUCFPSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@H]1CN(C(=O)CCC2C[NH2+]C2)[C@@H](C)CN1 ZINC000638157108 352021505 /nfs/dbraw/zinc/02/15/05/352021505.db2.gz BVKHOTHIQPVEPL-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)CN1 ZINC000638160469 352024508 /nfs/dbraw/zinc/02/45/08/352024508.db2.gz XXTFDDMBLAWKPK-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000638160210 352024850 /nfs/dbraw/zinc/02/48/50/352024850.db2.gz HPCCENDLZVJUFV-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000638160207 352024920 /nfs/dbraw/zinc/02/49/20/352024920.db2.gz HPCCENDLZVJUFV-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000638287979 352124458 /nfs/dbraw/zinc/12/44/58/352124458.db2.gz YOFFKZQAVDHQRA-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000638211169 352077031 /nfs/dbraw/zinc/07/70/31/352077031.db2.gz SCRKBYGAWHJZIW-AEJSXWLSSA-N 1 3 213.325 0.241 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000638211174 352077135 /nfs/dbraw/zinc/07/71/35/352077135.db2.gz SCRKBYGAWHJZIW-OPRDCNLKSA-N 1 3 213.325 0.241 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243404 352089563 /nfs/dbraw/zinc/08/95/63/352089563.db2.gz OMXZVBCGPIBZCX-VHSXEESVSA-N 1 3 215.341 0.618 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000638255834 352099477 /nfs/dbraw/zinc/09/94/77/352099477.db2.gz OGPDRRISLHODDO-VQXHTEKXSA-N 1 3 227.352 0.698 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000638255833 352099525 /nfs/dbraw/zinc/09/95/25/352099525.db2.gz OGPDRRISLHODDO-ILDUYXDCSA-N 1 3 227.352 0.698 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)Cc1nc[nH]c1C ZINC000638260253 352104441 /nfs/dbraw/zinc/10/44/41/352104441.db2.gz XKELTUVPUYPVRX-MRVPVSSYSA-N 1 3 210.281 0.114 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638276222 352113027 /nfs/dbraw/zinc/11/30/27/352113027.db2.gz RPEAPLIEWRWZQF-VXGBXAGGSA-N 1 3 237.347 0.587 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)N(C)C ZINC000638333355 352151885 /nfs/dbraw/zinc/15/18/85/352151885.db2.gz QDOBTPLMWOPHAQ-UWVGGRQHSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N(C)C ZINC000638331404 352153239 /nfs/dbraw/zinc/15/32/39/352153239.db2.gz HQTLMDYJWWTEKK-MNOVXSKESA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638369952 352180305 /nfs/dbraw/zinc/18/03/05/352180305.db2.gz JQQIXTDIBNUFDU-MXWKQRLJSA-N 1 3 229.368 0.992 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638368971 352181398 /nfs/dbraw/zinc/18/13/98/352181398.db2.gz CPBBZMMBACLOMR-SFYZADRCSA-N 1 3 224.308 0.503 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375926 352185899 /nfs/dbraw/zinc/18/58/99/352185899.db2.gz JUMKUDKCKZUWRX-MNOVXSKESA-N 1 3 239.363 0.775 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)[C@H]2C1 ZINC000638313325 352140125 /nfs/dbraw/zinc/14/01/25/352140125.db2.gz UAEZXTVRPIBFLO-RTXFEEFZSA-N 1 3 249.358 0.587 20 0 BCADHO CCN[C@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000638394432 352200877 /nfs/dbraw/zinc/20/08/77/352200877.db2.gz UTNMWXNKCYVCNE-SNVBAGLBSA-N 1 3 227.352 0.490 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000236719777 187628943 /nfs/dbraw/zinc/62/89/43/187628943.db2.gz CVYLBVQINLQVJX-GFCCVEGCSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417701 352227545 /nfs/dbraw/zinc/22/75/45/352227545.db2.gz IZZVQZSMPUNCGN-QWKFWESOSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638437770 352245292 /nfs/dbraw/zinc/24/52/92/352245292.db2.gz UVRVECMYPOEZDT-JQWIXIFHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000627052810 363172079 /nfs/dbraw/zinc/17/20/79/363172079.db2.gz SWDIGWHNQDHYDZ-DCAQKATOSA-N 1 3 242.367 0.376 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(CC)CC[NH3+] ZINC000638519485 352352665 /nfs/dbraw/zinc/35/26/65/352352665.db2.gz VTVCMFDLVFPHDB-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638500961 352321218 /nfs/dbraw/zinc/32/12/18/352321218.db2.gz WUVMGXKEPOHICJ-IUCAKERBSA-N 1 3 211.309 0.125 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505311 352326016 /nfs/dbraw/zinc/32/60/16/352326016.db2.gz KWZJQTIDBJNLLA-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506906 352328645 /nfs/dbraw/zinc/32/86/45/352328645.db2.gz ZWBIYDJZWNECBN-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[C@](C)(N)C(=O)N(CC)CC[NH3+] ZINC000638522485 352355664 /nfs/dbraw/zinc/35/56/64/352355664.db2.gz HURBUBVGHMUKMQ-JTQLQIEISA-N 1 3 201.314 0.311 20 0 BCADHO CCN(CC[NH3+])C(=O)C1(NC2CC2)CCC1 ZINC000638515870 352342944 /nfs/dbraw/zinc/34/29/44/352342944.db2.gz HNORIXWBGAVGLL-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CCN(CC[NH3+])C(=O)C1CCN(C)CC1 ZINC000638518186 352349946 /nfs/dbraw/zinc/34/99/46/352349946.db2.gz HRDKETGKAYMXOY-UHFFFAOYSA-N 1 3 213.325 0.135 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000638567516 352395073 /nfs/dbraw/zinc/39/50/73/352395073.db2.gz NMKKHJKKRNINAC-HBNTYKKESA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000638572012 352396874 /nfs/dbraw/zinc/39/68/74/352396874.db2.gz CYYKHHMNUUQPEJ-AEJSXWLSSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638641166 352483338 /nfs/dbraw/zinc/48/33/38/352483338.db2.gz BXULFSJYAKDKSE-RHYQMDGZSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)C[NH2+]1 ZINC000638653764 352494968 /nfs/dbraw/zinc/49/49/68/352494968.db2.gz HBRNITLEMYCTBK-DCAQKATOSA-N 1 3 225.336 0.385 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653910 352496670 /nfs/dbraw/zinc/49/66/70/352496670.db2.gz IQTWELHZXCQJBK-SCVCMEIPSA-N 1 3 227.352 0.761 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638654157 352496825 /nfs/dbraw/zinc/49/68/25/352496825.db2.gz JJQGATWXAZCJRA-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO NC1(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000638668092 352512672 /nfs/dbraw/zinc/51/26/72/352512672.db2.gz HPDSCWLABYGANC-UHFFFAOYSA-N 1 3 247.298 0.598 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638730069 352592495 /nfs/dbraw/zinc/59/24/95/352592495.db2.gz RELDJENSIIENGC-DMDPSCGWSA-N 1 3 237.347 0.196 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165697 352613826 /nfs/dbraw/zinc/61/38/26/352613826.db2.gz RZYGVPRTGOOPLS-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000042165622 352613930 /nfs/dbraw/zinc/61/39/30/352613930.db2.gz KHFMNUNZINUWRK-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CSC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000300848642 352577063 /nfs/dbraw/zinc/57/70/63/352577063.db2.gz NIBRTFBXQCEUDH-UHFFFAOYSA-N 1 3 243.420 0.719 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000044751164 352655687 /nfs/dbraw/zinc/65/56/87/352655687.db2.gz LJSJUQXBVXOQOQ-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806156 352657149 /nfs/dbraw/zinc/65/71/49/352657149.db2.gz UCIVEVHYWBZIKI-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767209 352706999 /nfs/dbraw/zinc/70/69/99/352706999.db2.gz AXANPWUKSHNJGK-RGOKHQFPSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000638767933 352708293 /nfs/dbraw/zinc/70/82/93/352708293.db2.gz MMZBIORHYMJCSF-HBNTYKKESA-N 1 3 227.352 0.439 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000638776546 352725249 /nfs/dbraw/zinc/72/52/49/352725249.db2.gz FPMRCYBRRBBSEP-GXSJLCMTSA-N 1 3 225.336 0.195 20 0 BCADHO [NH3+]Cc1ccc2c(c1)N(C(=O)[C@H]1CCN1)CCO2 ZINC000638804559 352979526 /nfs/dbraw/zinc/97/95/26/352979526.db2.gz CDXMEZBHHSHOCE-SNVBAGLBSA-N 1 3 247.298 0.233 20 0 BCADHO CCOCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000638853249 353024299 /nfs/dbraw/zinc/02/42/99/353024299.db2.gz BRCNXEPNDMQJJJ-UHFFFAOYSA-N 1 3 244.379 0.848 20 0 BCADHO CC[C@@H](N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638844812 353025535 /nfs/dbraw/zinc/02/55/35/353025535.db2.gz AVAXBMPPKYRQIM-CYBMUJFWSA-N 1 3 247.342 0.686 20 0 BCADHO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000638854624 353029166 /nfs/dbraw/zinc/02/91/66/353029166.db2.gz SAGNNPOYAMBHBM-IJLUTSLNSA-N 1 3 237.347 0.276 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638818724 352999446 /nfs/dbraw/zinc/99/94/46/352999446.db2.gz FHQMRCMRPNSSIT-RKDXNWHRSA-N 1 3 249.305 0.699 20 0 BCADHO [NH3+][C@H]1CCCCCN(C(=O)CNC2CC2)C1 ZINC000638819269 352999474 /nfs/dbraw/zinc/99/94/74/352999474.db2.gz IJZNDGRNFJIOBX-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1cnccc1N ZINC000629531120 538107773 /nfs/dbraw/zinc/10/77/73/538107773.db2.gz ARXQXHSNEAUWAQ-JTQLQIEISA-N 1 3 238.335 0.381 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484910 358474290 /nfs/dbraw/zinc/47/42/90/358474290.db2.gz ZUKCLACBZNMPEL-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484910 358474293 /nfs/dbraw/zinc/47/42/93/358474293.db2.gz ZUKCLACBZNMPEL-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000638884057 353051318 /nfs/dbraw/zinc/05/13/18/353051318.db2.gz FBCKLJIQEYNLOJ-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc2c(c1)CNC2 ZINC000638937680 353111668 /nfs/dbraw/zinc/11/16/68/353111668.db2.gz UOVXKWWZSAXYNC-NOZJJQNGSA-N 1 3 245.326 0.852 20 0 BCADHO O=C([C@H]1CCCCN1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638918491 353082962 /nfs/dbraw/zinc/08/29/62/353082962.db2.gz RQXBJNJHVUHBTN-OUAUKWLOSA-N 1 3 223.320 0.091 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c1CNC2 ZINC000638929683 353090403 /nfs/dbraw/zinc/09/04/03/353090403.db2.gz HTBJGPHDRDVXEE-GXSJLCMTSA-N 1 3 245.326 0.852 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000127131653 188047767 /nfs/dbraw/zinc/04/77/67/188047767.db2.gz HKOHWBUYNKXXKS-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000127131653 188047768 /nfs/dbraw/zinc/04/77/68/188047768.db2.gz HKOHWBUYNKXXKS-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)N)CC1 ZINC000638974994 353180708 /nfs/dbraw/zinc/18/07/08/353180708.db2.gz GCOLKTYNORUWIY-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)CNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070074274 353253399 /nfs/dbraw/zinc/25/33/99/353253399.db2.gz ZSUSTEGATMSNSO-LBPRGKRZSA-N 1 3 241.379 0.819 20 0 BCADHO [NH3+]CC1(NC(=O)CNC2CC2)CCCCC1 ZINC000638997490 353243738 /nfs/dbraw/zinc/24/37/38/353243738.db2.gz UPFRVDDGYWLQLG-UHFFFAOYSA-N 1 3 225.336 0.516 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021155 353279155 /nfs/dbraw/zinc/27/91/55/353279155.db2.gz CUVAXKDREAVRBE-OPRDCNLKSA-N 1 3 227.352 0.746 20 0 BCADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N ZINC000251786760 353288122 /nfs/dbraw/zinc/28/81/22/353288122.db2.gz NFMISMLWBUSGDI-UWVGGRQHSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N ZINC000251786760 353288124 /nfs/dbraw/zinc/28/81/24/353288124.db2.gz NFMISMLWBUSGDI-UWVGGRQHSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639028260 353288676 /nfs/dbraw/zinc/28/86/76/353288676.db2.gz XSZIJIUNLAFHQC-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)([NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000378187402 188251852 /nfs/dbraw/zinc/25/18/52/188251852.db2.gz KKPBKHLFHDEPCH-UHFFFAOYSA-N 1 3 247.342 0.336 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N(C)C1CCN(C)CC1 ZINC000044793720 188258117 /nfs/dbraw/zinc/25/81/17/188258117.db2.gz SPVNAHNUXKSRGS-LBPRGKRZSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186718687 188274660 /nfs/dbraw/zinc/27/46/60/188274660.db2.gz WNMHTWXDLAOTFN-OUAUKWLOSA-N 1 3 227.352 0.474 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000252439753 353299678 /nfs/dbraw/zinc/29/96/78/353299678.db2.gz SFONRDQYIAQCBS-HBNTYKKESA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000252439753 353299680 /nfs/dbraw/zinc/29/96/80/353299680.db2.gz SFONRDQYIAQCBS-HBNTYKKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000363668704 188322654 /nfs/dbraw/zinc/32/26/54/188322654.db2.gz GNEAPEXKLYIUEE-IVZWLZJFSA-N 1 3 225.336 0.310 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000639040420 353316208 /nfs/dbraw/zinc/31/62/08/353316208.db2.gz DUJLNZCPVJONEO-HAQNSBGRSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000253232419 353327306 /nfs/dbraw/zinc/32/73/06/353327306.db2.gz FERDSJRTCNHISX-VLEAKVRGSA-N 1 3 227.352 0.474 20 0 BCADHO CCC[C@H](CNC[C@@]1(O)CC[N@H+](C)C1)OC ZINC000639049612 353344156 /nfs/dbraw/zinc/34/41/56/353344156.db2.gz WCDDDVFOMUHJMF-NEPJUHHUSA-N 1 3 230.352 0.458 20 0 BCADHO CCC[C@H](CNC[C@@]1(O)CC[N@@H+](C)C1)OC ZINC000639049612 353344158 /nfs/dbraw/zinc/34/41/58/353344158.db2.gz WCDDDVFOMUHJMF-NEPJUHHUSA-N 1 3 230.352 0.458 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000165430980 353348466 /nfs/dbraw/zinc/34/84/66/353348466.db2.gz LLOUMQKGFNBOFO-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639072858 353390278 /nfs/dbraw/zinc/39/02/78/353390278.db2.gz ZZBJBBLIHCMTTR-VHSXEESVSA-N 1 3 233.315 0.813 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000337502503 188363096 /nfs/dbraw/zinc/36/30/96/188363096.db2.gz DWGSFBZJCASDLQ-DCAQKATOSA-N 1 3 227.352 0.556 20 0 BCADHO CO[C@H](C)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639091139 353452356 /nfs/dbraw/zinc/45/23/56/353452356.db2.gz MHAQSODLPLEGAL-LLVKDONJSA-N 1 3 244.379 0.846 20 0 BCADHO CNCC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000193131719 353575520 /nfs/dbraw/zinc/57/55/20/353575520.db2.gz LCCLJVYBTJVFSW-UHFFFAOYSA-N 1 3 229.368 0.831 20 0 BCADHO C[C@H](CNC(=O)CC[C@H](C)[NH3+])N(C)C1CC1 ZINC000193309843 353590445 /nfs/dbraw/zinc/59/04/45/353590445.db2.gz NKQBHHFIDNAJBQ-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639530 353603837 /nfs/dbraw/zinc/60/38/37/353603837.db2.gz NACZGKGFOFYYJN-ZDCRXTMVSA-N 1 3 227.352 0.617 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112410 353550797 /nfs/dbraw/zinc/55/07/97/353550797.db2.gz QFFWTMABOORHKT-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195227083 353734950 /nfs/dbraw/zinc/73/49/50/353734950.db2.gz PGNVPRJMHYLQPE-PHIMTYICSA-N 1 3 225.336 0.006 20 0 BCADHO CNCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178217174 366106244 /nfs/dbraw/zinc/10/62/44/366106244.db2.gz XJVANCMNIXKXQK-QMMMGPOBSA-N 1 3 207.277 0.864 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCN[C@H](C)C1 ZINC000261545241 535247217 /nfs/dbraw/zinc/24/72/17/535247217.db2.gz JRYKRNYLEPHZAB-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCN[C@H](C)C1 ZINC000261545241 535247221 /nfs/dbraw/zinc/24/72/21/535247221.db2.gz JRYKRNYLEPHZAB-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000627096889 363257376 /nfs/dbraw/zinc/25/73/76/363257376.db2.gz FOCFDDOHPOSSAH-OPRDCNLKSA-N 1 3 228.340 0.116 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](CN)c1ccccc1 ZINC000178410598 366122648 /nfs/dbraw/zinc/12/26/48/366122648.db2.gz JBSAJLANATWPBQ-LBPRGKRZSA-N 1 3 235.331 0.455 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366844079 353983717 /nfs/dbraw/zinc/98/37/17/353983717.db2.gz MRWCWPGFTVPIMW-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(CC)CC[NH3+])C1 ZINC000627117709 363283840 /nfs/dbraw/zinc/28/38/40/363283840.db2.gz WBBQXBIHIXZCBB-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO COC[C@H](C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344044226 354110809 /nfs/dbraw/zinc/11/08/09/354110809.db2.gz JBWVHANGBUWTGB-ZDUSSCGKSA-N 1 3 245.411 0.837 20 0 BCADHO COC[C@H](C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344044226 354110811 /nfs/dbraw/zinc/11/08/11/354110811.db2.gz JBWVHANGBUWTGB-ZDUSSCGKSA-N 1 3 245.411 0.837 20 0 BCADHO C[C@@H]1C[C@@H](C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000344182375 354176610 /nfs/dbraw/zinc/17/66/10/354176610.db2.gz HKZXGRTXHIPVSQ-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1C[C@@H](C(=O)NCCN(C)C)CC[N@H+]1C ZINC000344182375 354176613 /nfs/dbraw/zinc/17/66/13/354176613.db2.gz HKZXGRTXHIPVSQ-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726414 202008029 /nfs/dbraw/zinc/00/80/29/202008029.db2.gz KXLUZSHNTJHFFT-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000334581120 354199090 /nfs/dbraw/zinc/19/90/90/354199090.db2.gz LXYXRPLUQMIVPS-BDAKNGLRSA-N 1 3 247.289 0.242 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334582496 354202283 /nfs/dbraw/zinc/20/22/83/354202283.db2.gz QQLTYFVSCKLUQN-JGVFFNPUSA-N 1 3 249.305 0.473 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000627135094 363351273 /nfs/dbraw/zinc/35/12/73/363351273.db2.gz NCHFJLYKVQCHFM-GHMZBOCLSA-N 1 3 240.351 0.071 20 0 BCADHO CN(CCC[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000627134882 363351345 /nfs/dbraw/zinc/35/13/45/363351345.db2.gz GMIUDSDISVEHLY-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO C[C@H](CC(=O)N(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000344306821 354215892 /nfs/dbraw/zinc/21/58/92/354215892.db2.gz YEMVDVXXIABXFW-LLVKDONJSA-N 1 3 239.363 0.705 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1(N)CCCCC1 ZINC000334621317 354358571 /nfs/dbraw/zinc/35/85/71/354358571.db2.gz SWXMXOXLBVCZBD-IUCAKERBSA-N 1 3 213.325 0.500 20 0 BCADHO CC[N@@H+]1CC[C@@H](N[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750950 202019389 /nfs/dbraw/zinc/01/93/89/202019389.db2.gz KIDIEYJJHBGPEF-NNYUYHANSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@@H](N[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750950 202019392 /nfs/dbraw/zinc/01/93/92/202019392.db2.gz KIDIEYJJHBGPEF-NNYUYHANSA-N 1 3 212.337 0.830 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCN2CCC1CC2 ZINC000578011067 366177844 /nfs/dbraw/zinc/17/78/44/366177844.db2.gz OSWCFBPXLLJEPB-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN(C(=O)CNC1CC1)[C@H]1CC[NH2+]C1 ZINC000178907776 366179894 /nfs/dbraw/zinc/17/98/94/366179894.db2.gz VBVLFZNZUFPYNK-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H](CN1CCOCC1)N1CC[C@](C)(C[NH3+])C1 ZINC000578013522 366179987 /nfs/dbraw/zinc/17/99/87/366179987.db2.gz RJWSQKWNLQNJHU-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@](C)(CN)C1 ZINC000578013522 366179991 /nfs/dbraw/zinc/17/99/91/366179991.db2.gz RJWSQKWNLQNJHU-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](CN1CCOCC1)[N@H+]1CC[C@](C)(CN)C1 ZINC000578013522 366179996 /nfs/dbraw/zinc/17/99/96/366179996.db2.gz RJWSQKWNLQNJHU-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750354 202019505 /nfs/dbraw/zinc/01/95/05/202019505.db2.gz IRYVKFHOODGZJC-WCBMZHEXSA-N 1 3 225.336 0.384 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000578026513 366191726 /nfs/dbraw/zinc/19/17/26/366191726.db2.gz WFHDPTJUYZICGW-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000578026514 366192085 /nfs/dbraw/zinc/19/20/85/366192085.db2.gz WFHDPTJUYZICGW-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CN(C)C(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000345709062 354755625 /nfs/dbraw/zinc/75/56/25/354755625.db2.gz HUJXEBFYRMDHNN-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO CN(C)C(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345709062 354755626 /nfs/dbraw/zinc/75/56/26/354755626.db2.gz HUJXEBFYRMDHNN-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C[C@H](C)O ZINC000398644109 363394077 /nfs/dbraw/zinc/39/40/77/363394077.db2.gz WANSXFPBASAWFQ-AGIUHOORSA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750953 202020881 /nfs/dbraw/zinc/02/08/81/202020881.db2.gz KIDIEYJJHBGPEF-YFKTTZPYSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2)[C@@H](C)C1 ZINC000449750953 202020884 /nfs/dbraw/zinc/02/08/84/202020884.db2.gz KIDIEYJJHBGPEF-YFKTTZPYSA-N 1 3 212.337 0.830 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCCN1C ZINC000235468793 363445352 /nfs/dbraw/zinc/44/53/52/363445352.db2.gz CYKDOZDUCXFPPU-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218777 324537267 /nfs/dbraw/zinc/53/72/67/324537267.db2.gz HBLRMGDVRMRREV-UPOSSJBDSA-N 1 3 210.321 0.882 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335963672 134027791 /nfs/dbraw/zinc/02/77/91/134027791.db2.gz VFMWCSVIZIGRMZ-QWRGUYRKSA-N 1 3 239.363 0.844 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503643 358493942 /nfs/dbraw/zinc/49/39/42/358493942.db2.gz WXLANANQACWFBT-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346850237 355137570 /nfs/dbraw/zinc/13/75/70/355137570.db2.gz PUJYHNBPWYFGTG-NEPJUHHUSA-N 1 3 239.363 0.716 20 0 BCADHO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346850237 355137574 /nfs/dbraw/zinc/13/75/74/355137574.db2.gz PUJYHNBPWYFGTG-NEPJUHHUSA-N 1 3 239.363 0.716 20 0 BCADHO CC1CC[NH+](CC(=O)N2CCN[C@@H](C)C2)CC1 ZINC000335244938 355158924 /nfs/dbraw/zinc/15/89/24/355158924.db2.gz CPAYLWLZLJLGGS-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)([NH3+])CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000346971226 355175689 /nfs/dbraw/zinc/17/56/89/355175689.db2.gz GLWFDJAYNCMKLY-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO CCC[C@H]1C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000347008729 355204066 /nfs/dbraw/zinc/20/40/66/355204066.db2.gz SAXZWSLMMMLZBT-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295241 487527637 /nfs/dbraw/zinc/52/76/37/487527637.db2.gz GNKDJQSRJOPHOV-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C1CCN(C)CC1 ZINC000349910948 355524635 /nfs/dbraw/zinc/52/46/35/355524635.db2.gz BAWHXAPDPGOEJW-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000417886838 355632026 /nfs/dbraw/zinc/63/20/26/355632026.db2.gz ZGUDSWHAQZDEOW-WCABBAIRSA-N 1 3 240.351 0.116 20 0 BCADHO CC[NH+](CC)[C@H](C)CNC(=O)NCCN(C)C ZINC000350732702 355752730 /nfs/dbraw/zinc/75/27/30/355752730.db2.gz RPMBPWIRYFNMFP-LLVKDONJSA-N 1 3 244.383 0.578 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371018494 355877491 /nfs/dbraw/zinc/87/74/91/355877491.db2.gz NKAVIPBFBBBJAX-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000417632818 191909870 /nfs/dbraw/zinc/90/98/70/191909870.db2.gz XIWYZYKOGBENLU-BDAKNGLRSA-N 1 3 228.340 0.116 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@@H]1CCC[NH2+]C1 ZINC000583630699 355940756 /nfs/dbraw/zinc/94/07/56/355940756.db2.gz PBDARNWFSPXIAJ-ZJUUUORDSA-N 1 3 233.306 0.525 20 0 BCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(N)CC1 ZINC000167321949 355991472 /nfs/dbraw/zinc/99/14/72/355991472.db2.gz CBBGEVOFXZLBPX-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(N)CC1 ZINC000167321949 355991475 /nfs/dbraw/zinc/99/14/75/355991475.db2.gz CBBGEVOFXZLBPX-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000583640978 355947041 /nfs/dbraw/zinc/94/70/41/355947041.db2.gz AIWMRGFVJHFQJW-GWOFURMSSA-N 1 3 214.309 0.260 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000336059650 134067514 /nfs/dbraw/zinc/06/75/14/134067514.db2.gz XAPFYMJUNYQTOA-ZDUSSCGKSA-N 1 3 245.326 0.853 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000584352294 356093231 /nfs/dbraw/zinc/09/32/31/356093231.db2.gz LAGKJCJKYFVSGU-MDZLAQPJSA-N 1 3 249.358 0.798 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](C)N(C)C ZINC000418254912 192005440 /nfs/dbraw/zinc/00/54/40/192005440.db2.gz LDVCVLCCQPHHAM-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)[NH+](C)C ZINC000418248980 192006838 /nfs/dbraw/zinc/00/68/38/192006838.db2.gz FWDXHKAQXBUNSA-GARJFASQSA-N 1 3 242.367 0.328 20 0 BCADHO [NH3+]CCNC(=O)NC[C@H]1NCCc2ccccc21 ZINC000418297230 192020267 /nfs/dbraw/zinc/02/02/67/192020267.db2.gz NIPGSMFEKHDTHW-GFCCVEGCSA-N 1 3 248.330 0.131 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000336103575 134084279 /nfs/dbraw/zinc/08/42/79/134084279.db2.gz KQTYALODUYBDFA-MNOVXSKESA-N 1 3 239.363 0.762 20 0 BCADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCF ZINC000420319084 192195237 /nfs/dbraw/zinc/19/52/37/192195237.db2.gz XBFPUCRTKUIZKU-LLVKDONJSA-N 1 3 245.342 0.666 20 0 BCADHO CC[C@H](C(N)=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420320691 192195968 /nfs/dbraw/zinc/19/59/68/192195968.db2.gz UMIDFQKTANSIGI-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420303128 192207298 /nfs/dbraw/zinc/20/72/98/192207298.db2.gz HCVVTUOMCYUUJS-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C1(N)CC1 ZINC000336426026 356368182 /nfs/dbraw/zinc/36/81/82/356368182.db2.gz OGYKQVOEMZNVGA-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000336359996 356347704 /nfs/dbraw/zinc/34/77/04/356347704.db2.gz WTQRADYMKDPXDG-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000336359996 356347707 /nfs/dbraw/zinc/34/77/07/356347707.db2.gz WTQRADYMKDPXDG-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@@H]1C(=O)NCCN1CC[C@H]1CC[NH2+]C1 ZINC000420307586 192209196 /nfs/dbraw/zinc/20/91/96/192209196.db2.gz RLSDGOVOUSEVFN-VXGBXAGGSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)OC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420313490 192212115 /nfs/dbraw/zinc/21/21/15/192212115.db2.gz UCPFVKWWCYYLOG-WDEREUQCSA-N 1 3 228.336 0.997 20 0 BCADHO COC(=O)CCN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420322633 192227999 /nfs/dbraw/zinc/22/79/99/192227999.db2.gz WXUBKNBKVSOZQD-LBPRGKRZSA-N 1 3 240.347 0.871 20 0 BCADHO COC(=O)[C@@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420357030 192220724 /nfs/dbraw/zinc/22/07/24/192220724.db2.gz HJYSHGKAHPDBIQ-QWRGUYRKSA-N 1 3 226.320 0.623 20 0 BCADHO CCC[C@@H]1CN(C[C@@H](C)[NH3+])CCN1CCOC ZINC000420363683 192223442 /nfs/dbraw/zinc/22/34/42/192223442.db2.gz BVXSHFRWYJGIEU-CHWSQXEVSA-N 1 3 243.395 0.766 20 0 BCADHO CN(C)C(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420373198 192232183 /nfs/dbraw/zinc/23/21/83/192232183.db2.gz QWYPJYHZCPMBEA-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC(C)C ZINC000019511327 356484022 /nfs/dbraw/zinc/48/40/22/356484022.db2.gz KLHMAELHTCGRPJ-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC(C)C ZINC000019511327 356484027 /nfs/dbraw/zinc/48/40/27/356484027.db2.gz KLHMAELHTCGRPJ-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000381339072 356491107 /nfs/dbraw/zinc/49/11/07/356491107.db2.gz WXGYTVHGTISKSD-AEJSXWLSSA-N 1 3 213.325 0.165 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000578132910 366295429 /nfs/dbraw/zinc/29/54/29/366295429.db2.gz FSASBSPULWJEGN-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684164 356600898 /nfs/dbraw/zinc/60/08/98/356600898.db2.gz SJHVFHWKROMYBI-GFCCVEGCSA-N 1 3 235.331 0.975 20 0 BCADHO C[C@@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684164 356600899 /nfs/dbraw/zinc/60/08/99/356600899.db2.gz SJHVFHWKROMYBI-GFCCVEGCSA-N 1 3 235.331 0.975 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000167718941 134153888 /nfs/dbraw/zinc/15/38/88/134153888.db2.gz WTVNYTVJYHHCAN-PWSUYJOCSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000167718941 134153889 /nfs/dbraw/zinc/15/38/89/134153889.db2.gz WTVNYTVJYHHCAN-PWSUYJOCSA-N 1 3 239.363 0.857 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582248206 356679123 /nfs/dbraw/zinc/67/91/23/356679123.db2.gz OYOJCKPYTWWGAL-WDEREUQCSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H](O)CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764023 356690343 /nfs/dbraw/zinc/69/03/43/356690343.db2.gz SEDUNWUFCVMQAY-VXGBXAGGSA-N 1 3 230.352 0.146 20 0 BCADHO CC[C@](C)(O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767144 356696547 /nfs/dbraw/zinc/69/65/47/356696547.db2.gz PZHBZSFKYRYFNS-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582300348 357036946 /nfs/dbraw/zinc/03/69/46/357036946.db2.gz YCIPPMJNKXGECU-MXWKQRLJSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000582302355 357040352 /nfs/dbraw/zinc/04/03/52/357040352.db2.gz QQYRSARCSQJMGI-LPEHRKFASA-N 1 3 227.352 0.556 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC2(CCC2)C1 ZINC000582306425 357043670 /nfs/dbraw/zinc/04/36/70/357043670.db2.gz OQCZNWOLYYQZKZ-LLVKDONJSA-N 1 3 212.337 0.833 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC2(CCC2)C1 ZINC000582306425 357043671 /nfs/dbraw/zinc/04/36/71/357043671.db2.gz OQCZNWOLYYQZKZ-LLVKDONJSA-N 1 3 212.337 0.833 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC2(CCC2)C1 ZINC000582306425 357043672 /nfs/dbraw/zinc/04/36/72/357043672.db2.gz OQCZNWOLYYQZKZ-LLVKDONJSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)[NH2+]CCN1CCO[C@H](CN(C)C)C1 ZINC000193439932 357072995 /nfs/dbraw/zinc/07/29/95/357072995.db2.gz AAAHTLATGGUOGM-GFCCVEGCSA-N 1 3 229.368 0.247 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000390406369 357097690 /nfs/dbraw/zinc/09/76/90/357097690.db2.gz BNMYPXDTMWHSKE-IVZWLZJFSA-N 1 3 213.325 0.357 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@H]2CCN(C)C[C@H]2C)n1 ZINC000392383411 357150726 /nfs/dbraw/zinc/15/07/26/357150726.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 1 3 237.351 0.585 20 0 BCADHO Cc1nc(CC[NH2+][C@H]2CCN(C)C[C@H]2C)n[nH]1 ZINC000392383411 357150730 /nfs/dbraw/zinc/15/07/30/357150730.db2.gz HCUPISVDBBGHCA-KOLCDFICSA-N 1 3 237.351 0.585 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217362452 357260326 /nfs/dbraw/zinc/26/03/26/357260326.db2.gz JHOFEGXERBREBJ-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217362452 357260331 /nfs/dbraw/zinc/26/03/31/357260331.db2.gz JHOFEGXERBREBJ-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CN(CC[NH3+])C(=O)[C@H](CN)c1ccccc1 ZINC000582486317 357318480 /nfs/dbraw/zinc/31/84/80/357318480.db2.gz GUQSUPBCTUZZOW-LLVKDONJSA-N 1 3 221.304 0.146 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000582903599 357427275 /nfs/dbraw/zinc/42/72/75/357427275.db2.gz ATPXMFZHMZLTJH-GXFFZTMASA-N 1 3 247.342 0.727 20 0 BCADHO [NH3+]C[C@H]1CCCN(CCCN2CCOCC2)C1 ZINC000582907481 357433146 /nfs/dbraw/zinc/43/31/46/357433146.db2.gz IIGWPSCXTYTQHL-CYBMUJFWSA-N 1 3 241.379 0.379 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000582975718 357450264 /nfs/dbraw/zinc/45/02/64/357450264.db2.gz PSAQEMZADNTXCL-ONGXEEELSA-N 1 3 245.392 0.148 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000583024252 357452362 /nfs/dbraw/zinc/45/23/62/357452362.db2.gz ROBLEYROIKGUNM-KOLCDFICSA-N 1 3 239.363 0.631 20 0 BCADHO CC(=O)NCCN(C)CC[C@@H]1CC[NH2+]C1 ZINC000396746359 357482442 /nfs/dbraw/zinc/48/24/42/357482442.db2.gz ZAOYOOWRINSUMZ-NSHDSACASA-N 1 3 213.325 0.054 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188689048 357571307 /nfs/dbraw/zinc/57/13/07/357571307.db2.gz NVFYAFDJJLFKGX-WDEREUQCSA-N 1 3 245.342 0.535 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](N)C(C)C ZINC000230711356 357573628 /nfs/dbraw/zinc/57/36/28/357573628.db2.gz IJFFYDQSNJKLFT-LLVKDONJSA-N 1 3 229.368 0.770 20 0 BCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000189013097 357600494 /nfs/dbraw/zinc/60/04/94/357600494.db2.gz NEESTKJRWVTVKA-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN[C@H](C)C1 ZINC000189013097 357600499 /nfs/dbraw/zinc/60/04/99/357600499.db2.gz NEESTKJRWVTVKA-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)CCOCC[NH2+]C[C@@H]1CCCOC1 ZINC000231676245 357619537 /nfs/dbraw/zinc/61/95/37/357619537.db2.gz KCJONKWLFOXBBN-LBPRGKRZSA-N 1 3 230.352 0.581 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000233969402 357764177 /nfs/dbraw/zinc/76/41/77/357764177.db2.gz GWMBNQDZEWDBRF-GHMZBOCLSA-N 1 3 245.367 0.054 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H]1NCCCC1(C)C ZINC000234255583 357788414 /nfs/dbraw/zinc/78/84/14/357788414.db2.gz RWVVSKHXKFPEFW-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)CC[N@@H+]1C ZINC000399068244 357894978 /nfs/dbraw/zinc/89/49/78/357894978.db2.gz MZBKUDXFLSFRLO-USWWRNFRSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C2CCC2)CC[N@H+]1C ZINC000399068244 357894982 /nfs/dbraw/zinc/89/49/82/357894982.db2.gz MZBKUDXFLSFRLO-USWWRNFRSA-N 1 3 239.363 0.713 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399082184 357896203 /nfs/dbraw/zinc/89/62/03/357896203.db2.gz SJTNNHGZFJYXED-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399082184 357896206 /nfs/dbraw/zinc/89/62/06/357896206.db2.gz SJTNNHGZFJYXED-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)CC[N@@H+]1C ZINC000399068230 357894493 /nfs/dbraw/zinc/89/44/93/357894493.db2.gz MZBKUDXFLSFRLO-ADEWGFFLSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)CC[N@H+]1C ZINC000399068230 357894496 /nfs/dbraw/zinc/89/44/96/357894496.db2.gz MZBKUDXFLSFRLO-ADEWGFFLSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C1CCN(C2CC2)CC1 ZINC000583321201 357902954 /nfs/dbraw/zinc/90/29/54/357902954.db2.gz QXVOJGPFFKZRFT-SNVBAGLBSA-N 1 3 239.363 0.572 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000583822595 357957935 /nfs/dbraw/zinc/95/79/35/357957935.db2.gz QRVVMCHVKAXTHS-VIFPVBQESA-N 1 3 201.314 0.099 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000085975716 358000951 /nfs/dbraw/zinc/00/09/51/358000951.db2.gz WBIBOJLNCHCNTP-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO NC1(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000584524440 358038996 /nfs/dbraw/zinc/03/89/96/358038996.db2.gz FBXSLZYFHUEYHB-SECBINFHSA-N 1 3 246.314 0.327 20 0 BCADHO O=C(CNC1CC1)NCCC[NH+]1CCCC1 ZINC000037476927 358071400 /nfs/dbraw/zinc/07/14/00/358071400.db2.gz FFPHJTABPSKGMO-UHFFFAOYSA-N 1 3 225.336 0.341 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037609490 358083538 /nfs/dbraw/zinc/08/35/38/358083538.db2.gz WODMKDYOSDZPBF-NEPJUHHUSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037609490 358083540 /nfs/dbraw/zinc/08/35/40/358083540.db2.gz WODMKDYOSDZPBF-NEPJUHHUSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423304177 192692834 /nfs/dbraw/zinc/69/28/34/192692834.db2.gz NKGPZKOINXECST-SRVKXCTJSA-N 1 3 223.364 0.953 20 0 BCADHO CC(C)(C)[NH2+]CCN1CCNC[C@@H]1C(F)F ZINC000584782896 358176613 /nfs/dbraw/zinc/17/66/13/358176613.db2.gz WEIPQRSOFNQMFI-SECBINFHSA-N 1 3 235.322 0.913 20 0 BCADHO CN(C)Cc1ccccc1C(=O)NCCC[NH3+] ZINC000584781756 358177187 /nfs/dbraw/zinc/17/71/87/358177187.db2.gz POVBRWHRCZCEFZ-UHFFFAOYSA-N 1 3 235.331 0.827 20 0 BCADHO CC(C)(N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000584836140 358196740 /nfs/dbraw/zinc/19/67/40/358196740.db2.gz AKDYNOUWJUDIAD-UHFFFAOYSA-N 1 3 237.303 0.700 20 0 BCADHO CN1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1=O ZINC000223026777 358213986 /nfs/dbraw/zinc/21/39/86/358213986.db2.gz CDUGVOHVQVACLC-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO CN1C[C@H]([NH2+][C@@H]2CCC[C@@H](N)C2)CCC1=O ZINC000223026777 358213988 /nfs/dbraw/zinc/21/39/88/358213988.db2.gz CDUGVOHVQVACLC-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO N[C@H](CC(=O)NCCC[NH3+])c1ccccc1 ZINC000041043482 358241614 /nfs/dbraw/zinc/24/16/14/358241614.db2.gz CTTQVZQZQNGXKS-LLVKDONJSA-N 1 3 221.304 0.542 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000042288189 358344279 /nfs/dbraw/zinc/34/42/79/358344279.db2.gz GCPFYBLAYINSJC-LLVKDONJSA-N 1 3 221.304 0.021 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228243400 358370145 /nfs/dbraw/zinc/37/01/45/358370145.db2.gz DPTCFWPEQQAINK-MXWKQRLJSA-N 1 3 216.325 0.243 20 0 BCADHO COC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000227638827 358361490 /nfs/dbraw/zinc/36/14/90/358361490.db2.gz UGFGMDUNAQNLSK-PSEXLTFBSA-N 1 3 242.363 0.599 20 0 BCADHO COC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000227638827 358361495 /nfs/dbraw/zinc/36/14/95/358361495.db2.gz UGFGMDUNAQNLSK-PSEXLTFBSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)[C@H](C)[NH3+])N1CCCC1 ZINC000228621093 358383013 /nfs/dbraw/zinc/38/30/13/358383013.db2.gz IRHILZFQYKHCQM-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO CC[NH+]1CCC(CNC(=O)[C@@H](C)N)CC1 ZINC000044526707 358390169 /nfs/dbraw/zinc/39/01/69/358390169.db2.gz CJARJAWVLBUYDR-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000044538999 358391056 /nfs/dbraw/zinc/39/10/56/358391056.db2.gz CLNWRKSPKQQHNO-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000044538999 358391059 /nfs/dbraw/zinc/39/10/59/358391059.db2.gz CLNWRKSPKQQHNO-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCSCCCO)C1 ZINC000230784306 358410886 /nfs/dbraw/zinc/41/08/86/358410886.db2.gz OLEXZZKNSGABOU-QWRGUYRKSA-N 1 3 232.393 0.962 20 0 BCADHO CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)C(N)=O ZINC000230382132 358397820 /nfs/dbraw/zinc/39/78/20/358397820.db2.gz OZDGVPANFKEEGR-RKDXNWHRSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H](N)C1)C(N)=O ZINC000230382132 358397822 /nfs/dbraw/zinc/39/78/22/358397822.db2.gz OZDGVPANFKEEGR-RKDXNWHRSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCNC(=O)C2CC2)C1 ZINC000229357904 358402651 /nfs/dbraw/zinc/40/26/51/358402651.db2.gz CZAAUHZRNBKFRF-QWRGUYRKSA-N 1 3 225.336 0.372 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000230948490 358412911 /nfs/dbraw/zinc/41/29/11/358412911.db2.gz BIHCHFYVRFRIFT-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO Cn1nccc1CNCC1CC[NH+](C)CC1 ZINC000044516388 358550301 /nfs/dbraw/zinc/55/03/01/358550301.db2.gz TZPBPGYJDAFPMD-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCCCN1 ZINC000049559648 358695001 /nfs/dbraw/zinc/69/50/01/358695001.db2.gz VYWYJENXRJJBEP-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559633 358695364 /nfs/dbraw/zinc/69/53/64/358695364.db2.gz XKPCFEPKSPLAQH-PWSUYJOCSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000133914611 358772427 /nfs/dbraw/zinc/77/24/27/358772427.db2.gz NYWPMZZRILMBFW-JHJVBQTASA-N 1 3 243.395 0.683 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000133914210 358772492 /nfs/dbraw/zinc/77/24/92/358772492.db2.gz NYWPMZZRILMBFW-FRRDWIJNSA-N 1 3 243.395 0.683 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000578320887 366505478 /nfs/dbraw/zinc/50/54/78/366505478.db2.gz JBMLYKNNMDNHBZ-SRVKXCTJSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@H]1CC[N@H+](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000516979946 358965395 /nfs/dbraw/zinc/96/53/95/358965395.db2.gz SPJMLRQVTLYJJT-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1CC[N@@H+](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000516979946 358965400 /nfs/dbraw/zinc/96/54/00/358965400.db2.gz SPJMLRQVTLYJJT-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403838 358968739 /nfs/dbraw/zinc/96/87/39/358968739.db2.gz VYGLIHCLUMJSHK-GHMZBOCLSA-N 1 3 227.352 0.762 20 0 BCADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086403838 358968742 /nfs/dbraw/zinc/96/87/42/358968742.db2.gz VYGLIHCLUMJSHK-GHMZBOCLSA-N 1 3 227.352 0.762 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000061645008 358936248 /nfs/dbraw/zinc/93/62/48/358936248.db2.gz CWEGHCYKXCXQDO-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000578351365 366533863 /nfs/dbraw/zinc/53/38/63/366533863.db2.gz UMPITGKKBJTUAE-PWSUYJOCSA-N 1 3 228.336 0.234 20 0 BCADHO CN(C(=O)C[NH2+]C1CC1)[C@@H]1CCN(C2CC2)C1 ZINC000572282827 359349568 /nfs/dbraw/zinc/34/95/68/359349568.db2.gz QFTAHIPAYCVQBP-GFCCVEGCSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CNCCC1(F)F ZINC000423471387 192784873 /nfs/dbraw/zinc/78/48/73/192784873.db2.gz FDHWDAYJUPNAIK-UTLUCORTSA-N 1 3 233.306 0.571 20 0 BCADHO CC[C@H](N)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423479934 192787660 /nfs/dbraw/zinc/78/76/60/192787660.db2.gz VQCVKAFCXLSNMC-JFGNBEQYSA-N 1 3 211.353 0.796 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000423488881 192793098 /nfs/dbraw/zinc/79/30/98/192793098.db2.gz ZJFQOXBVALFXOR-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1C ZINC000379605831 359565654 /nfs/dbraw/zinc/56/56/54/359565654.db2.gz QAHAFEBFGZSFAP-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C ZINC000379605831 359565657 /nfs/dbraw/zinc/56/56/57/359565657.db2.gz QAHAFEBFGZSFAP-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C ZINC000379605832 359565677 /nfs/dbraw/zinc/56/56/77/359565677.db2.gz QAHAFEBFGZSFAP-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C ZINC000379605832 359565680 /nfs/dbraw/zinc/56/56/80/359565680.db2.gz QAHAFEBFGZSFAP-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](CC(N)=O)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454903 359616232 /nfs/dbraw/zinc/61/62/32/359616232.db2.gz SZUJMUSPYWWFGH-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](CC(N)=O)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454903 359616233 /nfs/dbraw/zinc/61/62/33/359616233.db2.gz SZUJMUSPYWWFGH-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO CN(C)C(=O)CCNC[C@]1(C)CC[NH2+]C1 ZINC000578532202 366593309 /nfs/dbraw/zinc/59/33/09/366593309.db2.gz FWGDAHJYGYHMCU-NSHDSACASA-N 1 3 213.325 0.054 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000087122770 359900373 /nfs/dbraw/zinc/90/03/73/359900373.db2.gz QECSGCRPSMSQJA-OUAUKWLOSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000578631053 366614332 /nfs/dbraw/zinc/61/43/32/366614332.db2.gz OCAGDRRPDXBYEN-WDEREUQCSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091209 359937357 /nfs/dbraw/zinc/93/73/57/359937357.db2.gz ZCHJCGYUQQDBTN-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091209 359937359 /nfs/dbraw/zinc/93/73/59/359937359.db2.gz ZCHJCGYUQQDBTN-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164349 359939457 /nfs/dbraw/zinc/93/94/57/359939457.db2.gz WVTWMOCBLLQVCN-YATPEIPISA-N 1 3 239.363 0.855 20 0 BCADHO CC[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164349 359939464 /nfs/dbraw/zinc/93/94/64/359939464.db2.gz WVTWMOCBLLQVCN-YATPEIPISA-N 1 3 239.363 0.855 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000092136971 360153747 /nfs/dbraw/zinc/15/37/47/360153747.db2.gz YRCCNJCLAISKJL-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626922894 360510048 /nfs/dbraw/zinc/51/00/48/360510048.db2.gz IBSKZGFHKGMNHI-LLVKDONJSA-N 1 3 240.351 0.132 20 0 BCADHO OC[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000631197067 360709919 /nfs/dbraw/zinc/70/99/19/360709919.db2.gz FDZIICJRLYUAJT-FVCCEPFGSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000631197067 360709923 /nfs/dbraw/zinc/70/99/23/360709923.db2.gz FDZIICJRLYUAJT-FVCCEPFGSA-N 1 3 224.348 0.974 20 0 BCADHO CCCC[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000154393971 360796572 /nfs/dbraw/zinc/79/65/72/360796572.db2.gz GAGUSUDQONWLQI-UWVGGRQHSA-N 1 3 213.325 0.454 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444175821 200706599 /nfs/dbraw/zinc/70/65/99/200706599.db2.gz MFUBIUSLUBFCLG-OSMZGAPFSA-N 1 3 249.358 0.339 20 0 BCADHO C[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156114018 360948921 /nfs/dbraw/zinc/94/89/21/360948921.db2.gz KFNZBTPDCRCACF-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156114018 360948926 /nfs/dbraw/zinc/94/89/26/360948926.db2.gz KFNZBTPDCRCACF-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO Cc1ccc(CNCCOCCC[NH3+])nc1 ZINC000629400487 361051869 /nfs/dbraw/zinc/05/18/69/361051869.db2.gz ZFABSTIGZMFGQI-UHFFFAOYSA-N 1 3 223.320 0.845 20 0 BCADHO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)CN1C1CC1 ZINC000629408655 361059149 /nfs/dbraw/zinc/05/91/49/361059149.db2.gz YBUHJOWKOKIDAU-MEWQQHAOSA-N 1 3 223.364 0.952 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424155754 200869879 /nfs/dbraw/zinc/86/98/79/200869879.db2.gz OFQXBRRUERQQDP-MNOVXSKESA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[C@H]1COCCN1 ZINC000629528051 361135510 /nfs/dbraw/zinc/13/55/10/361135510.db2.gz NNTILMXEHDCAKW-ZDEQEGDKSA-N 1 3 241.379 0.484 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC[C@H]1COCCN1C ZINC000629532823 361155269 /nfs/dbraw/zinc/15/52/69/361155269.db2.gz VGVZTNUWQUANRL-AXFHLTTASA-N 1 3 215.341 0.032 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525031 361125499 /nfs/dbraw/zinc/12/54/99/361125499.db2.gz XZRNURBBYMQLGV-XWLWVQCSSA-N 1 3 225.336 0.357 20 0 BCADHO N[C@H](C(=O)NCC1([NH3+])CCC1)C1CCC1 ZINC000579003782 366692474 /nfs/dbraw/zinc/69/24/74/366692474.db2.gz QNCVEHIXQXSAHT-VIFPVBQESA-N 1 3 211.309 0.111 20 0 BCADHO C[NH+](C)[C@@H](CNCCC(N)=O)C1CCCCC1 ZINC000579111230 366713631 /nfs/dbraw/zinc/71/36/31/366713631.db2.gz YAZZGUCFWFTZSQ-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227116 366738051 /nfs/dbraw/zinc/73/80/51/366738051.db2.gz MTZCMGMUJCVCRZ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000622044450 370675673 /nfs/dbraw/zinc/67/56/73/370675673.db2.gz GAKOZCLFBHLHEN-IJLUTSLNSA-N 1 3 225.336 0.467 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000622044560 370676996 /nfs/dbraw/zinc/67/69/96/370676996.db2.gz KOHHRQASFIVUSE-RAIGVLPGSA-N 1 3 239.363 0.585 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000622044766 370677414 /nfs/dbraw/zinc/67/74/14/370677414.db2.gz RXVFYYFFOCQRML-JHJVBQTASA-N 1 3 239.363 0.714 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000622044766 370677418 /nfs/dbraw/zinc/67/74/18/370677418.db2.gz RXVFYYFFOCQRML-JHJVBQTASA-N 1 3 239.363 0.714 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000622044919 370678612 /nfs/dbraw/zinc/67/86/12/370678612.db2.gz XXCZAWVZCTUSIH-ATZCPNFKSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](CC[NH+](C)C)N[C@@H](C)Cn1cncn1 ZINC000309793161 491156675 /nfs/dbraw/zinc/15/66/75/491156675.db2.gz UUUCACBPGSZFMX-MNOVXSKESA-N 1 3 225.340 0.596 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC(C[NH3+])CC1 ZINC000428798234 201043918 /nfs/dbraw/zinc/04/39/18/201043918.db2.gz ASBDQIVRIUXHHQ-UHFFFAOYSA-N 1 3 227.352 0.524 20 0 BCADHO [NH3+]C1(CNC(=O)c2ccc3c(c2)CNC3)CCC1 ZINC000336533100 181330719 /nfs/dbraw/zinc/33/07/19/181330719.db2.gz CLEJIXVLRMGLFU-UHFFFAOYSA-N 1 3 245.326 0.901 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)C(C)(C)C ZINC000162933703 361372335 /nfs/dbraw/zinc/37/23/35/361372335.db2.gz LHRXAFSFIDNESR-VIFPVBQESA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428957085 201052436 /nfs/dbraw/zinc/05/24/36/201052436.db2.gz ZTVBPMIYZOVXAL-USZNOCQGSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428983122 201054587 /nfs/dbraw/zinc/05/45/87/201054587.db2.gz UYIOECQVOJPVTM-UTUOFQBUSA-N 1 3 241.379 0.864 20 0 BCADHO CC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000429085195 201065921 /nfs/dbraw/zinc/06/59/21/201065921.db2.gz ZITOYQXAVRHQRX-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO [NH3+]C1(CNC(=O)[C@@]2(F)CCNC2)CCCCC1 ZINC000363762833 181330909 /nfs/dbraw/zinc/33/09/09/181330909.db2.gz WYDWDTUCVPYDJV-GFCCVEGCSA-N 1 3 243.326 0.466 20 0 BCADHO CC(C)(C[NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000429102698 201068537 /nfs/dbraw/zinc/06/85/37/201068537.db2.gz AVUITMWVIGRAFS-NSHDSACASA-N 1 3 235.331 0.788 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429189619 201079211 /nfs/dbraw/zinc/07/92/11/201079211.db2.gz CLKJHOKHHVAMDN-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429239479 201083059 /nfs/dbraw/zinc/08/30/59/201083059.db2.gz QPVCEONDNUEIFP-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN(C)CC(=O)NC1(C[NH3+])CCCC1 ZINC000429410057 201107135 /nfs/dbraw/zinc/10/71/35/201107135.db2.gz ZDNLRWCSBAWMTK-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(CC)CC ZINC000429557921 201116500 /nfs/dbraw/zinc/11/65/00/201116500.db2.gz DDPUOSSTCVVWFV-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)[NH3+] ZINC000429651250 201124333 /nfs/dbraw/zinc/12/43/33/201124333.db2.gz RTQDMXIFEDQIMM-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO CN(CCNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000579452071 366805915 /nfs/dbraw/zinc/80/59/15/366805915.db2.gz OTQIGUYHKYJDKU-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO Cc1ncsc1CCN(C)CCOCC[NH3+] ZINC000629578182 361464443 /nfs/dbraw/zinc/46/44/43/361464443.db2.gz NWEOZDJQBCNRRZ-UHFFFAOYSA-N 1 3 243.376 0.901 20 0 BCADHO CN(CCOCC[NH3+])CCOC[C@H]1CCCO1 ZINC000629579337 361465072 /nfs/dbraw/zinc/46/50/72/361465072.db2.gz SDBFNNYESRGCMQ-GFCCVEGCSA-N 1 3 246.351 0.089 20 0 BCADHO CCO[C@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629579835 361465863 /nfs/dbraw/zinc/46/58/63/361465863.db2.gz KAVQOHKVGCPHOF-UPJWGTAASA-N 1 3 242.363 0.600 20 0 BCADHO CN(CCOCC[NH3+])CCOC1CCOCC1 ZINC000629581072 361470843 /nfs/dbraw/zinc/47/08/43/361470843.db2.gz MCZXAHGUNYZNOW-UHFFFAOYSA-N 1 3 246.351 0.089 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)N(C)C ZINC000629612700 361499084 /nfs/dbraw/zinc/49/90/84/361499084.db2.gz GKFSNMJRNAZIOM-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](C(=O)NCC1CC[NH2+]CC1)N(C)C ZINC000629610399 361500354 /nfs/dbraw/zinc/50/03/54/361500354.db2.gz BOFWLIBCDRYOJM-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)N(C)C ZINC000629611735 361501129 /nfs/dbraw/zinc/50/11/29/361501129.db2.gz CXRHNIXTXZXWOW-WCQYABFASA-N 1 3 241.379 0.833 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](CC)N(C)C ZINC000629611719 361501265 /nfs/dbraw/zinc/50/12/65/361501265.db2.gz BZDBHOOKCYHYNU-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC000629612258 361501998 /nfs/dbraw/zinc/50/19/98/361501998.db2.gz ZQHLAJNICBPVLU-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000629612001 361502705 /nfs/dbraw/zinc/50/27/05/361502705.db2.gz OGKTWTFCBIICAP-OUAUKWLOSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@H](C(=O)NCC1=CC[NH2+]CC1)N(C)C ZINC000629611927 361502791 /nfs/dbraw/zinc/50/27/91/361502791.db2.gz KKFLOODBJKQFLT-LLVKDONJSA-N 1 3 225.336 0.363 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)N(C)C ZINC000629615395 361503467 /nfs/dbraw/zinc/50/34/67/361503467.db2.gz OMKTULVUTOZJSH-SDDRHHMPSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000629615619 361505188 /nfs/dbraw/zinc/50/51/88/361505188.db2.gz WODQBZVDCTZIOZ-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H](C(=O)N1CCC(CC[NH3+])CC1)N(C)C ZINC000629615965 361505658 /nfs/dbraw/zinc/50/56/58/361505658.db2.gz USVDIPPCGQSGCN-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N(C)C ZINC000629614314 361509789 /nfs/dbraw/zinc/50/97/89/361509789.db2.gz YIQNHJXKRANROW-LPEHRKFASA-N 1 3 213.325 0.275 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000629614422 361510034 /nfs/dbraw/zinc/51/00/34/361510034.db2.gz JMISDJLXXVEVLL-IJLUTSLNSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000629612266 361497753 /nfs/dbraw/zinc/49/77/53/361497753.db2.gz ZWBZDJPTFNZDSF-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO C[NH2+]CCOCCN(C)CC1=CCCOC1 ZINC000629654962 361558409 /nfs/dbraw/zinc/55/84/09/361558409.db2.gz UUGMVPXGECGAOB-UHFFFAOYSA-N 1 3 228.336 0.501 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCOC)[C@H](C)C1 ZINC000152108428 201188925 /nfs/dbraw/zinc/18/89/25/201188925.db2.gz HMFIFEJCTXNYAI-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCOC)[C@H](C)C1 ZINC000152108428 201188926 /nfs/dbraw/zinc/18/89/26/201188926.db2.gz HMFIFEJCTXNYAI-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NCC1=CCCOC1 ZINC000379739504 361574347 /nfs/dbraw/zinc/57/43/47/361574347.db2.gz ZNQBGXOPSDHICA-ZYHUDNBSSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@@H]1CNCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739504 361574352 /nfs/dbraw/zinc/57/43/52/361574352.db2.gz ZNQBGXOPSDHICA-ZYHUDNBSSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)N1 ZINC000153242073 201229738 /nfs/dbraw/zinc/22/97/38/201229738.db2.gz UBBOJDAZXFOGOS-OUAUKWLOSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000195157525 361639402 /nfs/dbraw/zinc/63/94/02/361639402.db2.gz GOELIICOPAXDHI-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000195157525 361639405 /nfs/dbraw/zinc/63/94/05/361639405.db2.gz GOELIICOPAXDHI-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO CCCC[C@@H](COC)NC[C@H](O)C[NH+](C)C ZINC000154329602 201274520 /nfs/dbraw/zinc/27/45/20/201274520.db2.gz RCHXPAOHYUAZHN-RYUDHWBXSA-N 1 3 232.368 0.704 20 0 BCADHO c1cc(N2CCNCC2)ncc1C1=CC[NH2+]CC1 ZINC000629722459 361662645 /nfs/dbraw/zinc/66/26/45/361662645.db2.gz AWFQANDCHWPWOW-UHFFFAOYSA-N 1 3 244.342 0.868 20 0 BCADHO CC[C@@H]1CN(CCC[NH2+]C)CCN1C[C@H](C)O ZINC000435872907 201293000 /nfs/dbraw/zinc/29/30/00/201293000.db2.gz SIWSFGHGPQPUMQ-QWHCGFSZSA-N 1 3 243.395 0.373 20 0 BCADHO CC[C@@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822572 201353879 /nfs/dbraw/zinc/35/38/79/201353879.db2.gz NTRFOANFQOITMM-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](CO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822572 201353881 /nfs/dbraw/zinc/35/38/81/201353881.db2.gz NTRFOANFQOITMM-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO NCC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000335063269 181351799 /nfs/dbraw/zinc/35/17/99/181351799.db2.gz QQBROKXHIFYOCZ-UHFFFAOYSA-N 1 3 237.347 0.215 20 0 BCADHO NCC(=O)NCCC[NH+]1CCCCCC1 ZINC000237967046 181352775 /nfs/dbraw/zinc/35/27/75/181352775.db2.gz RHTVUIIERUANMO-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO NCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375959773 181355007 /nfs/dbraw/zinc/35/50/07/181355007.db2.gz VIKNAZIKELDQAK-UHFFFAOYSA-N 1 3 205.261 0.230 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000630409056 364141547 /nfs/dbraw/zinc/14/15/47/364141547.db2.gz YWGDEIILAVSQQX-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C)CC[N@H+]1C ZINC000630409056 364141549 /nfs/dbraw/zinc/14/15/49/364141549.db2.gz YWGDEIILAVSQQX-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)(N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604534 364328800 /nfs/dbraw/zinc/32/88/00/364328800.db2.gz SSFYSJATLBPVQF-QMMMGPOBSA-N 1 3 209.297 0.224 20 0 BCADHO [NH3+]CCC(=O)N1CCCN(C2CC2)CC1 ZINC000108325574 181367044 /nfs/dbraw/zinc/36/70/44/181367044.db2.gz VRRWDYBSUQMHEZ-UHFFFAOYSA-N 1 3 211.309 0.032 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615310745 364685430 /nfs/dbraw/zinc/68/54/30/364685430.db2.gz XUXYPARZLJGXNB-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000573325823 364801186 /nfs/dbraw/zinc/80/11/86/364801186.db2.gz SZYVWNYPVLHXAI-OPRDCNLKSA-N 1 3 227.352 0.603 20 0 BCADHO CC1(C)OCC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000336898974 364852490 /nfs/dbraw/zinc/85/24/90/364852490.db2.gz QUPPAYBYRLBBGB-NWDGAFQWSA-N 1 3 242.363 0.600 20 0 BCADHO CC1(C)OCC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000336898976 364852545 /nfs/dbraw/zinc/85/25/45/364852545.db2.gz QUPPAYBYRLBBGB-RYUDHWBXSA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@@H](N)CC(F)F ZINC000573442627 364833441 /nfs/dbraw/zinc/83/34/41/364833441.db2.gz MFVLQUFXOUNPDG-ZETCQYMHSA-N 1 3 237.294 0.473 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573815122 364924195 /nfs/dbraw/zinc/92/41/95/364924195.db2.gz LWMKHWKBFUZWGT-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@H](CCS(C)(=O)=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573862041 364933407 /nfs/dbraw/zinc/93/34/07/364933407.db2.gz CAFJLQOAXKPNJN-MXWKQRLJSA-N 1 3 248.392 0.669 20 0 BCADHO C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000573862041 364933411 /nfs/dbraw/zinc/93/34/11/364933411.db2.gz CAFJLQOAXKPNJN-MXWKQRLJSA-N 1 3 248.392 0.669 20 0 BCADHO C[C@@H](O)CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573860555 364933854 /nfs/dbraw/zinc/93/38/54/364933854.db2.gz XNRBFTVFQOTAQK-GRYCIOLGSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H](O)CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573860555 364933859 /nfs/dbraw/zinc/93/38/59/364933859.db2.gz XNRBFTVFQOTAQK-GRYCIOLGSA-N 1 3 212.337 0.926 20 0 BCADHO CCCCNC(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000573966977 364955670 /nfs/dbraw/zinc/95/56/70/364955670.db2.gz ICUYJYJSEPXMMC-GFCCVEGCSA-N 1 3 241.379 0.964 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CCC1CCOCC1 ZINC000574046942 364975048 /nfs/dbraw/zinc/97/50/48/364975048.db2.gz QSUVOAHGXJZTAO-ZDUSSCGKSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)CCC1CCOCC1 ZINC000574046942 364975051 /nfs/dbraw/zinc/97/50/51/364975051.db2.gz QSUVOAHGXJZTAO-ZDUSSCGKSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)CCC1CCOCC1 ZINC000574046942 364975055 /nfs/dbraw/zinc/97/50/55/364975055.db2.gz QSUVOAHGXJZTAO-ZDUSSCGKSA-N 1 3 244.379 0.705 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000574210703 365001400 /nfs/dbraw/zinc/00/14/00/365001400.db2.gz XCFMMINSNNVBNR-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)N(C)C ZINC000162174314 541446695 /nfs/dbraw/zinc/44/66/95/541446695.db2.gz PECIJZIQCARMPP-CMPLNLGQSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000162174314 541446699 /nfs/dbraw/zinc/44/66/99/541446699.db2.gz PECIJZIQCARMPP-CMPLNLGQSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000574281922 365027078 /nfs/dbraw/zinc/02/70/78/365027078.db2.gz YZYWPXZIPVMLGK-NNYUYHANSA-N 1 3 239.363 0.665 20 0 BCADHO CNC[C@](C)(O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000574284208 365029353 /nfs/dbraw/zinc/02/93/53/365029353.db2.gz PGNSQXUNFJHCHB-SRVKXCTJSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000574284208 365029360 /nfs/dbraw/zinc/02/93/60/365029360.db2.gz PGNSQXUNFJHCHB-SRVKXCTJSA-N 1 3 214.353 0.935 20 0 BCADHO CC[NH2+]CCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000574548908 365088019 /nfs/dbraw/zinc/08/80/19/365088019.db2.gz UIBQRNYMKHPAGW-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000574516887 365078992 /nfs/dbraw/zinc/07/89/92/365078992.db2.gz IHVXBHYKKABVFZ-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000659299181 541455438 /nfs/dbraw/zinc/45/54/38/541455438.db2.gz GEACWRRAANXGDN-JTQLQIEISA-N 1 3 237.347 0.468 20 0 BCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183516 193039496 /nfs/dbraw/zinc/03/94/96/193039496.db2.gz NNLWTDPFCFBRDT-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260751 193042385 /nfs/dbraw/zinc/04/23/85/193042385.db2.gz BQTWQQDKKRQDHH-ZYHUDNBSSA-N 1 3 227.352 0.762 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260628 193042535 /nfs/dbraw/zinc/04/25/35/193042535.db2.gz SVIATWUEFQZOMC-MXWKQRLJSA-N 1 3 227.352 0.618 20 0 BCADHO CNCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575748621 365350947 /nfs/dbraw/zinc/35/09/47/365350947.db2.gz ONIPMZGTAKXKNI-SECBINFHSA-N 1 3 234.303 0.056 20 0 BCADHO C[C@@H](CN1CCOCC1)N1CCC[C@@H](C[NH3+])C1 ZINC000575923541 365415213 /nfs/dbraw/zinc/41/52/13/365415213.db2.gz VLZIKTJCOHZRKN-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000579590696 366894256 /nfs/dbraw/zinc/89/42/56/366894256.db2.gz AIKHOXFJRYSSQK-JTQLQIEISA-N 1 3 237.347 0.481 20 0 BCADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000576099222 365482464 /nfs/dbraw/zinc/48/24/64/365482464.db2.gz LHVYSLIYAJAWSB-CSYMLDBXSA-N 1 3 228.336 0.506 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000576105609 365487156 /nfs/dbraw/zinc/48/71/56/365487156.db2.gz GSNBTLWHWKXLCN-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CCCC[NH3+])C1 ZINC000576110991 365491412 /nfs/dbraw/zinc/49/14/12/365491412.db2.gz GMBBQGMXLMPIPN-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)C2CC2)C1 ZINC000576122056 365492411 /nfs/dbraw/zinc/49/24/11/365492411.db2.gz VFWUTJGNWXZDGX-TUAOUCFPSA-N 1 3 212.337 0.864 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000579961774 367103500 /nfs/dbraw/zinc/10/35/00/367103500.db2.gz QOGJVHSMZZBNGD-DTWKUNHWSA-N 1 3 247.289 0.322 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000579961773 367105157 /nfs/dbraw/zinc/10/51/57/367105157.db2.gz QOGJVHSMZZBNGD-BDAKNGLRSA-N 1 3 247.289 0.322 20 0 BCADHO [NH3+]CCCNC(=O)C1CCN(C2CC2)CC1 ZINC000580891808 367198769 /nfs/dbraw/zinc/19/87/69/367198769.db2.gz HJUMTMAEVSMFJP-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[C@@H]1[NH3+] ZINC000580891973 367199157 /nfs/dbraw/zinc/19/91/57/367199157.db2.gz VDSYBHCJLMUEEQ-DVVUODLYSA-N 1 3 225.336 0.310 20 0 BCADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCC1 ZINC000581311464 367339915 /nfs/dbraw/zinc/33/99/15/367339915.db2.gz KQMPEZQPVNHZPT-LURJTMIESA-N 1 3 239.241 0.264 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CNC1CC1 ZINC000581180490 367285442 /nfs/dbraw/zinc/28/54/42/367285442.db2.gz PAJIJDMLELTJIJ-GXSJLCMTSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](N)C(C)(C)C ZINC000581252479 367310085 /nfs/dbraw/zinc/31/00/85/367310085.db2.gz USFLCQXCXFXLOI-LPEHRKFASA-N 1 3 227.352 0.556 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H](N)C(C)(C)C ZINC000581252480 367310919 /nfs/dbraw/zinc/31/09/19/367310919.db2.gz USFLCQXCXFXLOI-OPRDCNLKSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000381417063 367397741 /nfs/dbraw/zinc/39/77/41/367397741.db2.gz VBQALCPADZHATO-JEZHCXPESA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@H](COC)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381215502 367365109 /nfs/dbraw/zinc/36/51/09/367365109.db2.gz FTKLRXANHPHARI-ZYHUDNBSSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@H](COC)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381215502 367365116 /nfs/dbraw/zinc/36/51/16/367365116.db2.gz FTKLRXANHPHARI-ZYHUDNBSSA-N 1 3 230.352 0.456 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000581437605 367471578 /nfs/dbraw/zinc/47/15/78/367471578.db2.gz QSGIBFVJUHATSM-UPJWGTAASA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C ZINC000581437605 367471584 /nfs/dbraw/zinc/47/15/84/367471584.db2.gz QSGIBFVJUHATSM-UPJWGTAASA-N 1 3 243.395 0.323 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000381712138 367450789 /nfs/dbraw/zinc/45/07/89/367450789.db2.gz KLHWWMNGHHVGFE-MWLCHTKSSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH+](C)C/C=C\C(=O)N1CCNC(C)(C)C1 ZINC000381767366 367455325 /nfs/dbraw/zinc/45/53/25/367455325.db2.gz VLBBXNFOQOBUKZ-WAYWQWQTSA-N 1 3 225.336 0.315 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000381785018 367458450 /nfs/dbraw/zinc/45/84/50/367458450.db2.gz YQELTNROUAZZPB-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H](N(C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865950 367565440 /nfs/dbraw/zinc/56/54/40/367565440.db2.gz NYNSPOBPORGDDY-ZYHUDNBSSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H](N(C)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)O ZINC000382865950 367565445 /nfs/dbraw/zinc/56/54/45/367565445.db2.gz NYNSPOBPORGDDY-ZYHUDNBSSA-N 1 3 244.379 0.533 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382555818 367538631 /nfs/dbraw/zinc/53/86/31/367538631.db2.gz JOPWTJZSYKEBCR-OUAUKWLOSA-N 1 3 216.325 0.243 20 0 BCADHO COC[C@@](C)(O)CNC1CC[NH+](C(C)C)CC1 ZINC000382569206 367542540 /nfs/dbraw/zinc/54/25/40/367542540.db2.gz QAEOBKLILLAUQV-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000581488185 367518703 /nfs/dbraw/zinc/51/87/03/367518703.db2.gz SYGFDVMBQICIOZ-XPUUQOCRSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000382979685 367580585 /nfs/dbraw/zinc/58/05/85/367580585.db2.gz UBBALRASEQVEPK-VHSXEESVSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCCC[NH+](C)C ZINC000382986614 367581805 /nfs/dbraw/zinc/58/18/05/367581805.db2.gz WFVAMEYQTFPQMN-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CCOC(C)(C)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000383794727 367654334 /nfs/dbraw/zinc/65/43/34/367654334.db2.gz RUGYSGSZCNZTCV-LBPRGKRZSA-N 1 3 244.379 0.846 20 0 BCADHO CCOC(C)(C)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000383794727 367654336 /nfs/dbraw/zinc/65/43/36/367654336.db2.gz RUGYSGSZCNZTCV-LBPRGKRZSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)[C@H](C)O1 ZINC000384961210 367765190 /nfs/dbraw/zinc/76/51/90/367765190.db2.gz SEGPEPQCIZIWOF-GRYCIOLGSA-N 1 3 230.352 0.720 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386556139 367990490 /nfs/dbraw/zinc/99/04/90/367990490.db2.gz HYZRRFUERMGSIK-KXUCPTDWSA-N 1 3 213.325 0.371 20 0 BCADHO COCCOCC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386564312 367992764 /nfs/dbraw/zinc/99/27/64/367992764.db2.gz JZFHVVZNNUTYHM-NEPJUHHUSA-N 1 3 230.352 0.770 20 0 BCADHO COCCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386564315 367994241 /nfs/dbraw/zinc/99/42/41/367994241.db2.gz JZFHVVZNNUTYHM-RYUDHWBXSA-N 1 3 230.352 0.770 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442614256 201575784 /nfs/dbraw/zinc/57/57/84/201575784.db2.gz GNWZCTGPJZNORU-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)COC(C)C)CC1 ZINC000387423775 368178410 /nfs/dbraw/zinc/17/84/10/368178410.db2.gz OQHAROCBKKCXFG-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086402286 368880050 /nfs/dbraw/zinc/88/00/50/368880050.db2.gz JGWFZNCBHXXDBG-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO CN(Cc1c[nH]cn1)CC1CC[NH2+]CC1 ZINC000086702671 368883721 /nfs/dbraw/zinc/88/37/21/368883721.db2.gz URMGRZUMMVXNJH-UHFFFAOYSA-N 1 3 208.309 0.841 20 0 BCADHO CN(Cc1cnc[nH]1)CC1CC[NH2+]CC1 ZINC000086702671 368883726 /nfs/dbraw/zinc/88/37/26/368883726.db2.gz URMGRZUMMVXNJH-UHFFFAOYSA-N 1 3 208.309 0.841 20 0 BCADHO O[C@H](CNCC1(O)CCCC1)C[NH+]1CCCC1 ZINC000087028961 368887995 /nfs/dbraw/zinc/88/79/95/368887995.db2.gz CYCOPGUJKRPPNP-GFCCVEGCSA-N 1 3 242.363 0.338 20 0 BCADHO [NH3+]CCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000087618518 368895514 /nfs/dbraw/zinc/89/55/14/368895514.db2.gz POGGWTMKNSBCSF-CYBMUJFWSA-N 1 3 247.342 0.729 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000156172179 326221487 /nfs/dbraw/zinc/22/14/87/326221487.db2.gz COHZOHIZHCXMBH-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000631840879 369311308 /nfs/dbraw/zinc/31/13/08/369311308.db2.gz VSCOAATYTSFOGK-JHJVBQTASA-N 1 3 242.363 0.709 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000404952072 369440069 /nfs/dbraw/zinc/44/00/69/369440069.db2.gz JBQXDTWQWUGFMH-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1C[C@@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861868 369473466 /nfs/dbraw/zinc/47/34/66/369473466.db2.gz JILQHMGOJZPJRM-GHMZBOCLSA-N 1 3 212.337 0.689 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCCC[C@@H]2O)CCCO1 ZINC000313349203 326264091 /nfs/dbraw/zinc/26/40/91/326264091.db2.gz LLPAAIZVDDVYRB-XQQFMLRXSA-N 1 3 242.363 0.587 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000567847294 326269376 /nfs/dbraw/zinc/26/93/76/326269376.db2.gz HAKQXFMNDQYCON-NHCYSSNCSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)C2(N)CCC2)C1 ZINC000567837231 326266928 /nfs/dbraw/zinc/26/69/28/326266928.db2.gz CGQNDMZBDBPDTL-JTQLQIEISA-N 1 3 211.309 0.065 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567925539 326284079 /nfs/dbraw/zinc/28/40/79/326284079.db2.gz OASMBNLCYJVDEP-XKNYDFJKSA-N 1 3 215.341 0.602 20 0 BCADHO C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000514252343 369712083 /nfs/dbraw/zinc/71/20/83/369712083.db2.gz BUFWUJYCDMQNBG-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H](C)[NH2+]1 ZINC000620903366 370051233 /nfs/dbraw/zinc/05/12/33/370051233.db2.gz ONIPFSMHVKDSDP-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CCN(CCn2cccn2)C[C@H]1C[NH3+] ZINC000253237566 370167583 /nfs/dbraw/zinc/16/75/83/370167583.db2.gz PAECRHUXAXVWOQ-VXGBXAGGSA-N 1 3 222.336 0.800 20 0 BCADHO C[C@H]1CN(C(=O)CCCC[NH3+])[C@@H](C)CN1 ZINC000309760653 370255382 /nfs/dbraw/zinc/25/53/82/370255382.db2.gz IPQBNYLMVMUKTF-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000568254147 326335574 /nfs/dbraw/zinc/33/55/74/326335574.db2.gz KHEVVDXNTALQSP-JTQLQIEISA-N 1 3 223.276 0.058 20 0 BCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000621685345 370435545 /nfs/dbraw/zinc/43/55/45/370435545.db2.gz CUGGFKHRARXNLR-DMDPSCGWSA-N 1 3 237.347 0.468 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682723 370431459 /nfs/dbraw/zinc/43/14/59/370431459.db2.gz JZNPBRUNUKKDQN-OPQQBVKSSA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621683513 370432817 /nfs/dbraw/zinc/43/28/17/370432817.db2.gz XDZMARXFFRHJQB-BXKDBHETSA-N 1 3 223.320 0.208 20 0 BCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000621683865 370433986 /nfs/dbraw/zinc/43/39/86/370433986.db2.gz CUGGFKHRARXNLR-MDZLAQPJSA-N 1 3 237.347 0.468 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000621704520 370452199 /nfs/dbraw/zinc/45/21/99/370452199.db2.gz XDPGKSCATDOOMB-YUMQZZPRSA-N 1 3 235.278 0.085 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621690155 370438794 /nfs/dbraw/zinc/43/87/94/370438794.db2.gz QFQRTKJRZCUBLI-WCQYABFASA-N 1 3 239.363 0.668 20 0 BCADHO CN(C)CCN(C(=O)C[NH2+]CC1CC1)C1CC1 ZINC000568627950 326368488 /nfs/dbraw/zinc/36/84/88/326368488.db2.gz GLMNQDAGLAOKFU-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](O)CNC[C@@H](C)C[NH+]1CCCCC1 ZINC000568975948 326384284 /nfs/dbraw/zinc/38/42/84/326384284.db2.gz MUCIAFAOESZWBV-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000568975948 326384285 /nfs/dbraw/zinc/38/42/85/326384285.db2.gz MUCIAFAOESZWBV-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO C[C@@H](C(=O)N(CCN(C)C)C1CC1)[C@H](C)[NH3+] ZINC000568879363 326380855 /nfs/dbraw/zinc/38/08/55/326380855.db2.gz XOIOFOHYCSBEKW-ZJUUUORDSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)CCN1C ZINC000624228536 371416454 /nfs/dbraw/zinc/41/64/54/371416454.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228536 371416458 /nfs/dbraw/zinc/41/64/58/371416458.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228536 371416465 /nfs/dbraw/zinc/41/64/65/371416465.db2.gz VDJHLJIOBJBOQB-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO CCO[C@@H]1COC[C@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572900248 326418025 /nfs/dbraw/zinc/41/80/25/326418025.db2.gz ZXXCNHRWYPJQGV-DDHJBXDOSA-N 1 3 228.336 0.650 20 0 BCADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627650984 371810211 /nfs/dbraw/zinc/81/02/11/371810211.db2.gz ZJABJFPMCSKLPQ-WHOHXGKFSA-N 1 3 237.347 0.099 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)CCSC ZINC000163637217 372022538 /nfs/dbraw/zinc/02/25/38/372022538.db2.gz YAEVCYQJABMYNV-SECBINFHSA-N 1 3 233.381 0.135 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631822251 372599468 /nfs/dbraw/zinc/59/94/68/372599468.db2.gz XVXBTSSXZSFDLC-SRVKXCTJSA-N 1 3 249.362 0.825 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@H]1CCc2ncnn21 ZINC000631829096 372610535 /nfs/dbraw/zinc/61/05/35/372610535.db2.gz GVYKMTSXKAULKC-GMTAPVOTSA-N 1 3 235.335 0.625 20 0 BCADHO C[C@H]1OCC[C@H]1CNC1(CO)CC[NH2+]CC1 ZINC000631829485 372611513 /nfs/dbraw/zinc/61/15/13/372611513.db2.gz RIMYQELMCDSSKB-MNOVXSKESA-N 1 3 228.336 0.116 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1CCc2ncnn21 ZINC000631829097 372611562 /nfs/dbraw/zinc/61/15/62/372611562.db2.gz GVYKMTSXKAULKC-HBNTYKKESA-N 1 3 235.335 0.625 20 0 BCADHO C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000631839707 372635665 /nfs/dbraw/zinc/63/56/65/372635665.db2.gz JTWNXBQRIPXPCI-ZYHUDNBSSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000631839707 372635672 /nfs/dbraw/zinc/63/56/72/372635672.db2.gz JTWNXBQRIPXPCI-ZYHUDNBSSA-N 1 3 212.337 0.940 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631840574 372636164 /nfs/dbraw/zinc/63/61/64/372636164.db2.gz UEILAJSBHOSYCK-VXGBXAGGSA-N 1 3 241.379 0.819 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631840574 372636168 /nfs/dbraw/zinc/63/61/68/372636168.db2.gz UEILAJSBHOSYCK-VXGBXAGGSA-N 1 3 241.379 0.819 20 0 BCADHO CCCCNC(=O)CCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840574 372636174 /nfs/dbraw/zinc/63/61/74/372636174.db2.gz UEILAJSBHOSYCK-VXGBXAGGSA-N 1 3 241.379 0.819 20 0 BCADHO C[C@@H]1OCC[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825861 372603961 /nfs/dbraw/zinc/60/39/61/372603961.db2.gz XKGBHIXTPOEVAX-FIQHERPVSA-N 1 3 210.321 0.563 20 0 BCADHO CC[C@@H]1CN(C[C@H]2CCc3ncnn32)CC[C@H]1[NH3+] ZINC000631824780 372604226 /nfs/dbraw/zinc/60/42/26/372604226.db2.gz QBDXSEYSPHXPBL-IJLUTSLNSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@H]1OCC[C@@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861699 372663674 /nfs/dbraw/zinc/66/36/74/372663674.db2.gz HFGUZXLZRVJTRP-VXGBXAGGSA-N 1 3 242.363 0.458 20 0 BCADHO COCC[C@@H](C)[NH+]1CCC(NCCO)CC1 ZINC000631863859 372666987 /nfs/dbraw/zinc/66/69/87/372666987.db2.gz DNZSCLCYNXIPGH-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO COC[C@H](CN1CCC[C@@H]2C[NH2+]CC[C@H]21)OC ZINC000631890550 372687220 /nfs/dbraw/zinc/68/72/20/372687220.db2.gz QHFOHYLJZYIZOE-FRRDWIJNSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@@H+]1CCC[C@@H]2CNCC[C@H]21)OC ZINC000631890550 372687224 /nfs/dbraw/zinc/68/72/24/372687224.db2.gz QHFOHYLJZYIZOE-FRRDWIJNSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@H+]1CCC[C@@H]2CNCC[C@H]21)OC ZINC000631890550 372687225 /nfs/dbraw/zinc/68/72/25/372687225.db2.gz QHFOHYLJZYIZOE-FRRDWIJNSA-N 1 3 242.363 0.722 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)NCCN1CCCCC1 ZINC000049575444 182017417 /nfs/dbraw/zinc/01/74/17/182017417.db2.gz OXPXRBKFHDOVPG-LBPRGKRZSA-N 1 3 239.363 0.731 20 0 BCADHO NC1(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)CC1 ZINC000632869569 373200168 /nfs/dbraw/zinc/20/01/68/373200168.db2.gz QZGJTZWTKNVLTG-SNVBAGLBSA-N 1 3 245.326 0.642 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632869326 373200306 /nfs/dbraw/zinc/20/03/06/373200306.db2.gz JHRGIMIDMYMRHD-WDEREUQCSA-N 1 3 247.342 0.759 20 0 BCADHO O=C(NCCC[NH+]1CCCC1)[C@@]1(F)CCNC1 ZINC000366331045 182166822 /nfs/dbraw/zinc/16/68/22/182166822.db2.gz SVQUSRVGRIOHOH-GFCCVEGCSA-N 1 3 243.326 0.290 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(N)=O)C1 ZINC000309028815 170017242 /nfs/dbraw/zinc/01/72/42/170017242.db2.gz CJEQMBPTFJRVEQ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(N)=O)C1 ZINC000309028815 170017240 /nfs/dbraw/zinc/01/72/40/170017240.db2.gz CJEQMBPTFJRVEQ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCN(C)C)[C@@H](C)C1 ZINC000308864807 170020190 /nfs/dbraw/zinc/02/01/90/170020190.db2.gz ABRMKFZHJSRNDV-RYUDHWBXSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@H+]1CC[C@H](NCCN(C)C)[C@@H](C)C1 ZINC000308864807 170020191 /nfs/dbraw/zinc/02/01/91/170020191.db2.gz ABRMKFZHJSRNDV-RYUDHWBXSA-N 1 3 213.369 0.868 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCN1 ZINC000368705260 182294804 /nfs/dbraw/zinc/29/48/04/182294804.db2.gz ZDDVBLIYVJXAIX-GHMZBOCLSA-N 1 3 225.336 0.387 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000368705261 182294895 /nfs/dbraw/zinc/29/48/95/182294895.db2.gz ZDDVBLIYVJXAIX-MNOVXSKESA-N 1 3 225.336 0.387 20 0 BCADHO COCCOCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155884409 206069617 /nfs/dbraw/zinc/06/96/17/206069617.db2.gz YXTCKQAQXUHLQB-VXGBXAGGSA-N 1 3 230.352 0.722 20 0 BCADHO COCCOCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155884409 206069618 /nfs/dbraw/zinc/06/96/18/206069618.db2.gz YXTCKQAQXUHLQB-VXGBXAGGSA-N 1 3 230.352 0.722 20 0 BCADHO C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)[C@H](C)[NH3+] ZINC000449598928 206099334 /nfs/dbraw/zinc/09/93/34/206099334.db2.gz DVGOYZIOTNLMRE-HOSYDEDBSA-N 1 3 235.331 0.928 20 0 BCADHO CCCCN(C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000166638317 206142949 /nfs/dbraw/zinc/14/29/49/206142949.db2.gz LQAZFINVPYUEBN-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)CN(CC)CC ZINC000162741690 168961856 /nfs/dbraw/zinc/96/18/56/168961856.db2.gz SEDPBGGCMVEJON-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236877711 169002271 /nfs/dbraw/zinc/00/22/71/169002271.db2.gz JFYKKCDNWGJCPF-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000336753026 169005922 /nfs/dbraw/zinc/00/59/22/169005922.db2.gz WDTPBUVHEGQWNE-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000337515963 169006158 /nfs/dbraw/zinc/00/61/58/169006158.db2.gz QBNZROOBCVYUAX-VWYCJHECSA-N 1 3 227.352 0.700 20 0 BCADHO O[C@@H](CNCC[C@H]1CCCO1)C[NH+]1CCCC1 ZINC000038096756 183178976 /nfs/dbraw/zinc/17/89/76/183178976.db2.gz XBOIQOUNAGSEAQ-QWHCGFSZSA-N 1 3 242.363 0.602 20 0 BCADHO CCCN(C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340139700 169069638 /nfs/dbraw/zinc/06/96/38/169069638.db2.gz VZRNHLGTSGCJSN-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CCCN(C)CC(=O)NCCC[NH+]1CCCC1 ZINC000355473008 169071680 /nfs/dbraw/zinc/07/16/80/169071680.db2.gz NALIVTLLEMUADW-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C ZINC000309653825 169071717 /nfs/dbraw/zinc/07/17/17/169071717.db2.gz UVAHUYXYVWCEKK-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCNC3)C[C@@H]12 ZINC000228125913 183203874 /nfs/dbraw/zinc/20/38/74/183203874.db2.gz APCRVSADWOGUKO-FDYHWXHSSA-N 1 3 224.348 0.689 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCNC3)C[C@@H]12 ZINC000228125913 183203876 /nfs/dbraw/zinc/20/38/76/183203876.db2.gz APCRVSADWOGUKO-FDYHWXHSSA-N 1 3 224.348 0.689 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357290727 169075617 /nfs/dbraw/zinc/07/56/17/169075617.db2.gz DIDGNZGUYHMXLM-NTZNESFSSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000309616759 169066279 /nfs/dbraw/zinc/06/62/79/169066279.db2.gz OACSLOMRDDYWHT-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)N)CC1 ZINC000038100753 169187088 /nfs/dbraw/zinc/18/70/88/169187088.db2.gz UESDLQADMJTXJA-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@H](C)N)CC1 ZINC000040829687 169188329 /nfs/dbraw/zinc/18/83/29/169188329.db2.gz NBNSMKJNMGMLKU-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CCCN1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000035140070 169189352 /nfs/dbraw/zinc/18/93/52/169189352.db2.gz SOMDOXRMVAXKTR-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CCCN1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000373799135 169193857 /nfs/dbraw/zinc/19/38/57/169193857.db2.gz HGEUDIAFGWLZTP-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)C ZINC000358828130 169195785 /nfs/dbraw/zinc/19/57/85/169195785.db2.gz JZVGGEPQCBZSAI-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)C ZINC000358828130 169195787 /nfs/dbraw/zinc/19/57/87/169195787.db2.gz JZVGGEPQCBZSAI-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000236783108 169257886 /nfs/dbraw/zinc/25/78/86/169257886.db2.gz SPFQGVSVPKRFQM-UWVGGRQHSA-N 1 3 215.341 0.476 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1CCCN1CCC ZINC000236803991 169259253 /nfs/dbraw/zinc/25/92/53/169259253.db2.gz ZSDNGXBJSFZXMA-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCC[C@@H](N)C(=O)NCC[N@H+](C)CC ZINC000054133306 169389809 /nfs/dbraw/zinc/38/98/09/169389809.db2.gz WPCCMUFYEUTMIF-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCC[C@@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054133306 169389811 /nfs/dbraw/zinc/38/98/11/169389811.db2.gz WPCCMUFYEUTMIF-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309014965 169389237 /nfs/dbraw/zinc/38/92/37/169389237.db2.gz UAEYGDSEPLLSJH-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368648965 169390830 /nfs/dbraw/zinc/39/08/30/169390830.db2.gz YWWYPDLQLVPNFT-NXEZZACHSA-N 1 3 225.336 0.372 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000223954888 134343754 /nfs/dbraw/zinc/34/37/54/134343754.db2.gz BZBKUXGHTDSPSR-QNWHQSFQSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000223954888 134343755 /nfs/dbraw/zinc/34/37/55/134343755.db2.gz BZBKUXGHTDSPSR-QNWHQSFQSA-N 1 3 244.379 0.702 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@H]1[NH3+] ZINC000648124748 383845868 /nfs/dbraw/zinc/84/58/68/383845868.db2.gz BQPKTWLVLRGTTR-GMTAPVOTSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262658165 383879763 /nfs/dbraw/zinc/87/97/63/383879763.db2.gz DTVKHXLHZDETBL-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000648124830 383850816 /nfs/dbraw/zinc/85/08/16/383850816.db2.gz CXLAJNZRLBVHID-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH+](C)CCN(C(=O)CN)C1CCCC1 ZINC000037825027 383865941 /nfs/dbraw/zinc/86/59/41/383865941.db2.gz LMQCKURDGMESDX-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO C[C@@H]1CC[C@@H](CN(C)CCOCC[NH3+])O1 ZINC000301051483 383881011 /nfs/dbraw/zinc/88/10/11/383881011.db2.gz UPCPDLTXURQSEE-MNOVXSKESA-N 1 3 216.325 0.461 20 0 BCADHO OCCOCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227501604 134381978 /nfs/dbraw/zinc/38/19/78/134381978.db2.gz WYEFZKMYSGHMFL-QWHCGFSZSA-N 1 3 242.363 0.602 20 0 BCADHO OCCOCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000227501604 134381979 /nfs/dbraw/zinc/38/19/79/134381979.db2.gz WYEFZKMYSGHMFL-QWHCGFSZSA-N 1 3 242.363 0.602 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000309319042 383875799 /nfs/dbraw/zinc/87/57/99/383875799.db2.gz ZTTAOFLPMSWUTN-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000309319042 383875801 /nfs/dbraw/zinc/87/58/01/383875801.db2.gz ZTTAOFLPMSWUTN-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC(C(=O)N[C@](C)(C[NH3+])C2CC2)CC1 ZINC000237105715 383887979 /nfs/dbraw/zinc/88/79/79/383887979.db2.gz OFZQCWHHCNJDOU-CYBMUJFWSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)C ZINC000155666348 383996142 /nfs/dbraw/zinc/99/61/42/383996142.db2.gz BCFKYPWYVIENES-AAEUAGOBSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000357234011 383964633 /nfs/dbraw/zinc/96/46/33/383964633.db2.gz AFSNEXVQTZKIGB-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566295672 383974188 /nfs/dbraw/zinc/97/41/88/383974188.db2.gz DXBRVEGUTKNDRU-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186830240 384027063 /nfs/dbraw/zinc/02/70/63/384027063.db2.gz RUCUIRFNAMFXMQ-QWRGUYRKSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C ZINC000309400673 384034426 /nfs/dbraw/zinc/03/44/26/384034426.db2.gz VFSMYSVJXKRUHU-RKDXNWHRSA-N 1 3 215.341 0.459 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000569455635 384062732 /nfs/dbraw/zinc/06/27/32/384062732.db2.gz OMTDNCCTSFFJRQ-LPEHRKFASA-N 1 3 213.325 0.213 20 0 BCADHO C[NH2+]CCCN1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000517373053 384064225 /nfs/dbraw/zinc/06/42/25/384064225.db2.gz AHWSRIMKWCYFQZ-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000517373053 384064232 /nfs/dbraw/zinc/06/42/32/384064232.db2.gz AHWSRIMKWCYFQZ-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000517373053 384064236 /nfs/dbraw/zinc/06/42/36/384064236.db2.gz AHWSRIMKWCYFQZ-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1C ZINC000237378324 384159524 /nfs/dbraw/zinc/15/95/24/384159524.db2.gz QJGNEKICBIXYTA-NXEZZACHSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1C ZINC000237378324 384159533 /nfs/dbraw/zinc/15/95/33/384159533.db2.gz QJGNEKICBIXYTA-NXEZZACHSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000648140107 384167557 /nfs/dbraw/zinc/16/75/57/384167557.db2.gz DFXIQIIYFADJNW-MXWKQRLJSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000235436181 384231628 /nfs/dbraw/zinc/23/16/28/384231628.db2.gz OEKKUUMFGWNBMJ-ZYHUDNBSSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000235436181 384231634 /nfs/dbraw/zinc/23/16/34/384231634.db2.gz OEKKUUMFGWNBMJ-ZYHUDNBSSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCCN1 ZINC000237506598 384255776 /nfs/dbraw/zinc/25/57/76/384255776.db2.gz MIXMDEXLXUOKOB-AAEUAGOBSA-N 1 3 239.363 0.634 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cccn3)C[C@H]21 ZINC000228471740 384258312 /nfs/dbraw/zinc/25/83/12/384258312.db2.gz HPLZQRKEVJVMPY-JHJVBQTASA-N 1 3 234.347 0.942 20 0 BCADHO CO[C@H](C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309467453 384309507 /nfs/dbraw/zinc/30/95/07/384309507.db2.gz PTYSVJKCNFYGLK-GHMZBOCLSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@H](CN[C@H]1CO[C@H](C)C1)C[NH+](C)C ZINC000401936144 384313909 /nfs/dbraw/zinc/31/39/09/384313909.db2.gz MSJFKHRPOADUNF-GMTAPVOTSA-N 1 3 200.326 0.951 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCN1CCCC1=O ZINC000405429526 384316161 /nfs/dbraw/zinc/31/61/61/384316161.db2.gz IZPBSHAQFOLWQL-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405429526 384316166 /nfs/dbraw/zinc/31/61/66/384316166.db2.gz IZPBSHAQFOLWQL-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000648144905 384409758 /nfs/dbraw/zinc/40/97/58/384409758.db2.gz HLVKSBVXNPWWBM-JFGNBEQYSA-N 1 3 235.331 0.408 20 0 BCADHO C[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084217085 384376892 /nfs/dbraw/zinc/37/68/92/384376892.db2.gz HABDTNKAVPPOEF-AXFHLTTASA-N 1 3 200.326 0.722 20 0 BCADHO C[C@@H](NC(=O)[C@H]1CNCCC1(F)F)[C@H](C)[NH3+] ZINC000648145237 384446301 /nfs/dbraw/zinc/44/63/01/384446301.db2.gz VBMMZCVLNUREPN-XLPZGREQSA-N 1 3 235.278 0.083 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248642218 384453349 /nfs/dbraw/zinc/45/33/49/384453349.db2.gz RMXFKBHAUMKELA-SDDRHHMPSA-N 1 3 239.363 0.524 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000648180289 384461070 /nfs/dbraw/zinc/46/10/70/384461070.db2.gz QKTRFFXPMJNDOV-OPRDCNLKSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180391 384468336 /nfs/dbraw/zinc/46/83/36/384468336.db2.gz AKYPHWZYPCQZJX-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@H](N2CCCC2)C1 ZINC000334388406 384479245 /nfs/dbraw/zinc/47/92/45/384479245.db2.gz QNGNDPJJVSPBAW-NWDGAFQWSA-N 1 3 237.347 0.435 20 0 BCADHO C[C@H]1CC2(CN1C(=O)[C@@H]1C[C@@H]1N)CC[NH2+]CC2 ZINC000643844944 384536454 /nfs/dbraw/zinc/53/64/54/384536454.db2.gz IQNHICHIWXEDKL-AXFHLTTASA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCOC1 ZINC000354406201 384552181 /nfs/dbraw/zinc/55/21/81/384552181.db2.gz JTPULUJFMYVBIX-VXGBXAGGSA-N 1 3 242.363 0.458 20 0 BCADHO CC(C)CC[NH+]1CCC(CNC(=O)CN)CC1 ZINC000236711988 384555289 /nfs/dbraw/zinc/55/52/89/384555289.db2.gz CSQRAAAJDJWTAL-UHFFFAOYSA-N 1 3 241.379 0.819 20 0 BCADHO CO[C@@H](C)[C@@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000517926060 384574403 /nfs/dbraw/zinc/57/44/03/384574403.db2.gz WPSFQRZHWHJSKE-JFGNBEQYSA-N 1 3 230.352 0.455 20 0 BCADHO CO[C@@H](C)[C@@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000517926060 384574407 /nfs/dbraw/zinc/57/44/07/384574407.db2.gz WPSFQRZHWHJSKE-JFGNBEQYSA-N 1 3 230.352 0.455 20 0 BCADHO CCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531118694 384619884 /nfs/dbraw/zinc/61/98/84/384619884.db2.gz ODCWKCIFXREZGX-UHFFFAOYSA-N 1 3 215.341 0.348 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000258678270 384632211 /nfs/dbraw/zinc/63/22/11/384632211.db2.gz TUVDASMWGDUZAW-LLVKDONJSA-N 1 3 240.351 0.132 20 0 BCADHO CNCc1cccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000647671785 384666068 /nfs/dbraw/zinc/66/60/68/384666068.db2.gz URWHCRSZUKTKOT-ITGUQSILSA-N 1 3 245.326 0.810 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000044538763 384656759 /nfs/dbraw/zinc/65/67/59/384656759.db2.gz UXEMOPCRHTUVJA-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185968 384739888 /nfs/dbraw/zinc/73/98/88/384739888.db2.gz KOTGDVYJRLGBOL-NXEZZACHSA-N 1 3 225.336 0.515 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648186375 384744495 /nfs/dbraw/zinc/74/44/95/384744495.db2.gz TVVMMMDFBZWQPF-NSHDSACASA-N 1 3 237.347 0.529 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@]1(C)CC[NH2+]C1 ZINC000647549716 384746207 /nfs/dbraw/zinc/74/62/07/384746207.db2.gz NXPSYFOLQWRGBB-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@@]1(C)CC[NH2+]C1 ZINC000647549715 384747356 /nfs/dbraw/zinc/74/73/56/384747356.db2.gz NXPSYFOLQWRGBB-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@]1(CNC[C@@H]2C[C@H](F)CN2)CC[NH2+]C1 ZINC000647548197 384749784 /nfs/dbraw/zinc/74/97/84/384749784.db2.gz YQJGCUYPSGGGCX-GARJFASQSA-N 1 3 215.316 0.276 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368381333 384824465 /nfs/dbraw/zinc/82/44/65/384824465.db2.gz XNVNLUYSKNLHMS-JQWIXIFHSA-N 1 3 239.363 0.762 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368381337 384825436 /nfs/dbraw/zinc/82/54/36/384825436.db2.gz XNVNLUYSKNLHMS-PWSUYJOCSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000648190278 384803423 /nfs/dbraw/zinc/80/34/23/384803423.db2.gz NFIYJZGCNCOKDS-DJLDLDEBSA-N 1 3 213.325 0.226 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397179 384806105 /nfs/dbraw/zinc/80/61/05/384806105.db2.gz KMRCRNQSCJDQPU-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397179 384806111 /nfs/dbraw/zinc/80/61/11/384806111.db2.gz KMRCRNQSCJDQPU-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO C[C@H](CC[NH+](C)C)N[C@@H](C)CC(N)=O ZINC000308558765 384807683 /nfs/dbraw/zinc/80/76/83/384807683.db2.gz CXEMYHLHEBTWJL-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158918463 384812898 /nfs/dbraw/zinc/81/28/98/384812898.db2.gz XCNSGLJVZNJBTF-MDZLAQPJSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205934 384840781 /nfs/dbraw/zinc/84/07/81/384840781.db2.gz PATMRZPAYXYNPJ-RKDXNWHRSA-N 1 3 211.309 0.125 20 0 BCADHO C[N@H+](CCC1CCCC1)C[C@@H](O)CN ZINC000258846323 384948933 /nfs/dbraw/zinc/94/89/33/384948933.db2.gz DXTXUAJOVVOULE-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCC1CCCC1)C[C@@H](O)CN ZINC000258846323 384948936 /nfs/dbraw/zinc/94/89/36/384948936.db2.gz DXTXUAJOVVOULE-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO CN(CCC1CCCC1)C[C@@H](O)C[NH3+] ZINC000258846323 384948942 /nfs/dbraw/zinc/94/89/42/384948942.db2.gz DXTXUAJOVVOULE-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO CCN1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491846575 384894543 /nfs/dbraw/zinc/89/45/43/384894543.db2.gz LFCBKCLXGPMVPW-ALCCZGGFSA-N 1 3 239.363 0.658 20 0 BCADHO COC[C@@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000251001566 384912095 /nfs/dbraw/zinc/91/20/95/384912095.db2.gz PRMZYXSKTLODAM-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO COC[C@H](C)N(C)C[C@H]1CCC[NH2+]C1 ZINC000251001568 384912120 /nfs/dbraw/zinc/91/21/20/384912120.db2.gz PRMZYXSKTLODAM-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO O=C(NC1CC[NH2+]CC1)[C@H]1CNCCC1(F)F ZINC000647605576 384929601 /nfs/dbraw/zinc/92/96/01/384929601.db2.gz XPYWBRGOGXVHLL-SECBINFHSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339194047 384971782 /nfs/dbraw/zinc/97/17/82/384971782.db2.gz QXWQPMHMAGQKTA-YIBTVLSRSA-N 1 3 212.337 0.924 20 0 BCADHO C[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339194047 384971787 /nfs/dbraw/zinc/97/17/87/384971787.db2.gz QXWQPMHMAGQKTA-YIBTVLSRSA-N 1 3 212.337 0.924 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041683 384997425 /nfs/dbraw/zinc/99/74/25/384997425.db2.gz AVJZRQMQIBXMFQ-GFCCVEGCSA-N 1 3 241.379 0.959 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000310354567 385001628 /nfs/dbraw/zinc/00/16/28/385001628.db2.gz QIZHPEDQUPDZNR-FDYHWXHSSA-N 1 3 244.379 0.702 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000310354567 385001633 /nfs/dbraw/zinc/00/16/33/385001633.db2.gz QIZHPEDQUPDZNR-FDYHWXHSSA-N 1 3 244.379 0.702 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000310354570 385002653 /nfs/dbraw/zinc/00/26/53/385002653.db2.gz QIZHPEDQUPDZNR-WUHRBBMRSA-N 1 3 244.379 0.702 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000310354570 385002658 /nfs/dbraw/zinc/00/26/58/385002658.db2.gz QIZHPEDQUPDZNR-WUHRBBMRSA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000644601525 385004427 /nfs/dbraw/zinc/00/44/27/385004427.db2.gz SAEGKPWNZXQTDF-WXHSDQCUSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000644601522 385005167 /nfs/dbraw/zinc/00/51/67/385005167.db2.gz SAEGKPWNZXQTDF-KGYLQXTDSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000226399613 385006377 /nfs/dbraw/zinc/00/63/77/385006377.db2.gz XOAAQPXVQOIIHW-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000226398338 385006720 /nfs/dbraw/zinc/00/67/20/385006720.db2.gz NXFLQGNHFNVOAH-ZYHUDNBSSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000226394902 385007277 /nfs/dbraw/zinc/00/72/77/385007277.db2.gz AUGYUSCLOPLOFF-PWSUYJOCSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(CCNC(=O)[C@H](C)C[NH2+]C)C1CC1 ZINC000226397957 385007359 /nfs/dbraw/zinc/00/73/59/385007359.db2.gz FDMANNNGJLBVLK-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CCN(CCNC(=O)[C@H]1CCCC[NH2+]1)C1CC1 ZINC000226397328 385008063 /nfs/dbraw/zinc/00/80/63/385008063.db2.gz PPQRAZYIAGHRTB-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CCN(CCNC(=O)[C@@H](C)C[NH2+]C)C1CC1 ZINC000226397947 385009063 /nfs/dbraw/zinc/00/90/63/385009063.db2.gz FDMANNNGJLBVLK-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CCN(CCNC(=O)CCC[NH2+]C)C1CC1 ZINC000226397395 385009411 /nfs/dbraw/zinc/00/94/11/385009411.db2.gz XUORLBGELLCRGP-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000226403436 385012349 /nfs/dbraw/zinc/01/23/49/385012349.db2.gz XFKIVMXRIBYQGM-WZRBSPASSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)[C@H](NCCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000404758761 385051149 /nfs/dbraw/zinc/05/11/49/385051149.db2.gz BBAIKYZUXFMECL-NWDGAFQWSA-N 1 3 241.379 0.424 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCCN1CCOCC1 ZINC000404758758 385052059 /nfs/dbraw/zinc/05/20/59/385052059.db2.gz BBAIKYZUXFMECL-NEPJUHHUSA-N 1 3 241.379 0.424 20 0 BCADHO Cc1cnn(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)c1 ZINC000404787474 385061553 /nfs/dbraw/zinc/06/15/53/385061553.db2.gz PYGUMWIVCKBTSA-MNOVXSKESA-N 1 3 222.336 0.907 20 0 BCADHO Cc1cnn(CC[NH2+][C@H]2C[C@@H](N)C2(C)C)c1 ZINC000404787474 385061572 /nfs/dbraw/zinc/06/15/72/385061572.db2.gz PYGUMWIVCKBTSA-MNOVXSKESA-N 1 3 222.336 0.907 20 0 BCADHO Cc1cnn(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000404787479 385062197 /nfs/dbraw/zinc/06/21/97/385062197.db2.gz PYGUMWIVCKBTSA-WDEREUQCSA-N 1 3 222.336 0.907 20 0 BCADHO Cc1cnn(CC[NH2+][C@@H]2C[C@H](N)C2(C)C)c1 ZINC000404787479 385062202 /nfs/dbraw/zinc/06/22/02/385062202.db2.gz PYGUMWIVCKBTSA-WDEREUQCSA-N 1 3 222.336 0.907 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000569354216 385063021 /nfs/dbraw/zinc/06/30/21/385063021.db2.gz GEZDYPGFMTUNJJ-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[C@@H]1[NH3+] ZINC000647005503 385141469 /nfs/dbraw/zinc/14/14/69/385141469.db2.gz AXSDTHJKXVMPIU-USWWRNFRSA-N 1 3 239.363 0.700 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000646983403 385115258 /nfs/dbraw/zinc/11/52/58/385115258.db2.gz PUGJVKLINDWHSO-SFYZADRCSA-N 1 3 235.278 0.227 20 0 BCADHO O=C([C@@H]1CCCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000157253563 385117958 /nfs/dbraw/zinc/11/79/58/385117958.db2.gz RTISIMNQMCYPQL-RYUDHWBXSA-N 1 3 237.347 0.435 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646988415 385119734 /nfs/dbraw/zinc/11/97/34/385119734.db2.gz PBPHBWOQKLNEDF-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO [NH3+]CCC(=O)NCc1ccc2c(c1)CNC2 ZINC000646990532 385125350 /nfs/dbraw/zinc/12/53/50/385125350.db2.gz NFFSBRLHNZBILJ-UHFFFAOYSA-N 1 3 219.288 0.255 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998186 385132409 /nfs/dbraw/zinc/13/24/09/385132409.db2.gz UIMYXVDWPUCYOF-KXUCPTDWSA-N 1 3 225.336 0.371 20 0 BCADHO c1c(C2CC[NH2+]CC2)nnn1CCN1CCCC1 ZINC000404891422 385140279 /nfs/dbraw/zinc/14/02/79/385140279.db2.gz WXZOHXVLYACRQT-UHFFFAOYSA-N 1 3 249.362 0.841 20 0 BCADHO CCC[NH+](CCC)CCCNC(=O)[C@H](C)N ZINC000165834231 385196763 /nfs/dbraw/zinc/19/67/63/385196763.db2.gz JSMNNYPRGXYVIA-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056275 385197800 /nfs/dbraw/zinc/19/78/00/385197800.db2.gz YOIIVJCVFVNNCH-WDEREUQCSA-N 1 3 237.347 0.372 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647024441 385157479 /nfs/dbraw/zinc/15/74/79/385157479.db2.gz WKLVPPFEEACCCR-OUAUKWLOSA-N 1 3 225.336 0.038 20 0 BCADHO N[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000647026806 385160344 /nfs/dbraw/zinc/16/03/44/385160344.db2.gz VYYNACVNESVQTN-CMPLNLGQSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1cccc2c1CNCC2 ZINC000367495878 385165971 /nfs/dbraw/zinc/16/59/71/385165971.db2.gz AOUJFQMTKKZYLM-SECBINFHSA-N 1 3 233.315 0.866 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404911746 385172690 /nfs/dbraw/zinc/17/26/90/385172690.db2.gz UVILAPUDEOGLOR-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404911743 385173181 /nfs/dbraw/zinc/17/31/81/385173181.db2.gz UVILAPUDEOGLOR-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404911745 385173420 /nfs/dbraw/zinc/17/34/20/385173420.db2.gz UVILAPUDEOGLOR-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000647062720 385213064 /nfs/dbraw/zinc/21/30/64/385213064.db2.gz VYGXNBMHMFADFS-NXEZZACHSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@H]1CCN(CCn2cccn2)C[C@@H]1C[NH3+] ZINC000164647994 385226127 /nfs/dbraw/zinc/22/61/27/385226127.db2.gz PAECRHUXAXVWOQ-RYUDHWBXSA-N 1 3 222.336 0.800 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)CCC[NH3+] ZINC000405003134 385233145 /nfs/dbraw/zinc/23/31/45/385233145.db2.gz ZMCFLMUJKOUPRH-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO COC(=O)[C@H](C)C[N@H+](C)CC(C)(C)N ZINC000308897664 385251187 /nfs/dbraw/zinc/25/11/87/385251187.db2.gz AUPYDXNEDIHQSD-MRVPVSSYSA-N 1 3 202.298 0.465 20 0 BCADHO COC(=O)[C@H](C)C[N@@H+](C)CC(C)(C)N ZINC000308897664 385251191 /nfs/dbraw/zinc/25/11/91/385251191.db2.gz AUPYDXNEDIHQSD-MRVPVSSYSA-N 1 3 202.298 0.465 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C[C@H]1C[NH3+] ZINC000647086839 385251278 /nfs/dbraw/zinc/25/12/78/385251278.db2.gz MVCSJZCOMXSISE-GMTAPVOTSA-N 1 3 239.363 0.428 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058234 385203111 /nfs/dbraw/zinc/20/31/11/385203111.db2.gz XAVWVKFAMPRRFQ-GUBZILKMSA-N 1 3 231.315 0.191 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H]1C[C@H](C)CCN1 ZINC000167466809 385318406 /nfs/dbraw/zinc/31/84/06/385318406.db2.gz IATKBIPGRJJALH-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095553 385265680 /nfs/dbraw/zinc/26/56/80/385265680.db2.gz ZOMHECMPAKOQLA-SNVBAGLBSA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000647094913 385267338 /nfs/dbraw/zinc/26/73/38/385267338.db2.gz DXHDBIXMMBEHCD-GMTAPVOTSA-N 1 3 227.352 0.617 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000333495705 385280238 /nfs/dbraw/zinc/28/02/38/385280238.db2.gz CUNXPRJMOAYIPS-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO CO[C@H](C[NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000400117949 385289636 /nfs/dbraw/zinc/28/96/36/385289636.db2.gz JRZPMGFUWZEHGM-GFCCVEGCSA-N 1 3 242.363 0.458 20 0 BCADHO COCCN(CCN(C)C)C(=O)CCCC[NH3+] ZINC000648152552 385294331 /nfs/dbraw/zinc/29/43/31/385294331.db2.gz DBHIMVQTNGZFSK-UHFFFAOYSA-N 1 3 245.367 0.152 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000164990139 385333159 /nfs/dbraw/zinc/33/31/59/385333159.db2.gz WAYIDDJVMCZYIP-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000164992384 385334947 /nfs/dbraw/zinc/33/49/47/385334947.db2.gz YTJDKMQWBPUULC-NXEZZACHSA-N 1 3 227.352 0.522 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000643973995 385337713 /nfs/dbraw/zinc/33/77/13/385337713.db2.gz QTQXHLCFWJJPTR-IUCAKERBSA-N 1 3 247.289 0.181 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165018865 385340480 /nfs/dbraw/zinc/34/04/80/385340480.db2.gz GMCPABWEOTXCMX-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165018865 385340482 /nfs/dbraw/zinc/34/04/82/385340482.db2.gz GMCPABWEOTXCMX-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000165101455 385349693 /nfs/dbraw/zinc/34/96/93/385349693.db2.gz XQYGFVYQCUFAHS-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@@]2(O)CCOC2)CC1 ZINC000180461683 385390816 /nfs/dbraw/zinc/39/08/16/385390816.db2.gz MHYOILHWAYPZTN-ZDUSSCGKSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374310 385414145 /nfs/dbraw/zinc/41/41/45/385414145.db2.gz UPBDSHCVTWSCDQ-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000644078910 385422107 /nfs/dbraw/zinc/42/21/07/385422107.db2.gz UILGNPMSZQVLHX-UWVGGRQHSA-N 1 3 225.336 0.100 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000644089819 385441862 /nfs/dbraw/zinc/44/18/62/385441862.db2.gz NKDDZMNYBDDXSR-RKDXNWHRSA-N 1 3 247.289 0.052 20 0 BCADHO C[C@@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCCN1 ZINC000195272025 385466180 /nfs/dbraw/zinc/46/61/80/385466180.db2.gz WBFSHOHMWRULHI-LOWVWBTDSA-N 1 3 237.347 0.196 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000644099502 385472850 /nfs/dbraw/zinc/47/28/50/385472850.db2.gz JTEBNOIRPPANNA-MNOVXSKESA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)(C[NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000644102483 385472983 /nfs/dbraw/zinc/47/29/83/385472983.db2.gz KXNXQJZCGNKFTL-UHFFFAOYSA-N 1 3 248.330 0.651 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000644131447 385511571 /nfs/dbraw/zinc/51/15/71/385511571.db2.gz FBTNMXCYUFAORF-UWVGGRQHSA-N 1 3 239.363 0.489 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000644132349 385513086 /nfs/dbraw/zinc/51/30/86/385513086.db2.gz QIHHTTUHFLYHQJ-WDEREUQCSA-N 1 3 239.363 0.633 20 0 BCADHO NC1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000644132167 385514037 /nfs/dbraw/zinc/51/40/37/385514037.db2.gz MSIJVWOHJYGHRG-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000644132346 385514136 /nfs/dbraw/zinc/51/41/36/385514136.db2.gz QIHHTTUHFLYHQJ-GHMZBOCLSA-N 1 3 239.363 0.633 20 0 BCADHO COC1(C[N@@H+]2CCCO[C@@H](CN)C2)CCCC1 ZINC000318931464 385522031 /nfs/dbraw/zinc/52/20/31/385522031.db2.gz AKRFKFOTJNHIBI-LBPRGKRZSA-N 1 3 242.363 0.995 20 0 BCADHO COC1(C[N@H+]2CCCO[C@@H](CN)C2)CCCC1 ZINC000318931464 385522033 /nfs/dbraw/zinc/52/20/33/385522033.db2.gz AKRFKFOTJNHIBI-LBPRGKRZSA-N 1 3 242.363 0.995 20 0 BCADHO COC1(CN2CCCO[C@@H](C[NH3+])C2)CCCC1 ZINC000318931464 385522035 /nfs/dbraw/zinc/52/20/35/385522035.db2.gz AKRFKFOTJNHIBI-LBPRGKRZSA-N 1 3 242.363 0.995 20 0 BCADHO COC1(C[N@@H+]2CCCO[C@H](CN)C2)CCCC1 ZINC000318931463 385522853 /nfs/dbraw/zinc/52/28/53/385522853.db2.gz AKRFKFOTJNHIBI-GFCCVEGCSA-N 1 3 242.363 0.995 20 0 BCADHO COC1(C[N@H+]2CCCO[C@H](CN)C2)CCCC1 ZINC000318931463 385522856 /nfs/dbraw/zinc/52/28/56/385522856.db2.gz AKRFKFOTJNHIBI-GFCCVEGCSA-N 1 3 242.363 0.995 20 0 BCADHO COC1(CN2CCCO[C@H](C[NH3+])C2)CCCC1 ZINC000318931463 385522860 /nfs/dbraw/zinc/52/28/60/385522860.db2.gz AKRFKFOTJNHIBI-GFCCVEGCSA-N 1 3 242.363 0.995 20 0 BCADHO [NH3+]CC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCCC1 ZINC000644141904 385524178 /nfs/dbraw/zinc/52/41/78/385524178.db2.gz LLZWSEUHMKFMEG-UWVGGRQHSA-N 1 3 243.326 0.322 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142163 385526619 /nfs/dbraw/zinc/52/66/19/385526619.db2.gz DMRWPVCRGZNCCK-XWLWVQCSSA-N 1 3 243.326 0.191 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)[C@H](C)[NH3+] ZINC000644142294 385526919 /nfs/dbraw/zinc/52/69/19/385526919.db2.gz MGMLNMPBVYQWDC-NAKRPEOUSA-N 1 3 245.342 0.422 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C ZINC000309400667 385571391 /nfs/dbraw/zinc/57/13/91/385571391.db2.gz VFSMYSVJXKRUHU-DTWKUNHWSA-N 1 3 215.341 0.459 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)C(C)(C)C ZINC000309400670 385571652 /nfs/dbraw/zinc/57/16/52/385571652.db2.gz VFSMYSVJXKRUHU-IUCAKERBSA-N 1 3 215.341 0.459 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000107891100 385590602 /nfs/dbraw/zinc/59/06/02/385590602.db2.gz FKQOKSXMQVYUAM-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000107891100 385590606 /nfs/dbraw/zinc/59/06/06/385590606.db2.gz FKQOKSXMQVYUAM-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CC(C)N1CCN(CCC[N@H+](C)CCO)CC1 ZINC000337342108 385609341 /nfs/dbraw/zinc/60/93/41/385609341.db2.gz VVICYJHWXBVWQV-UHFFFAOYSA-N 1 3 243.395 0.327 20 0 BCADHO CC(C)N1CCN(CCC[N@@H+](C)CCO)CC1 ZINC000337342108 385609347 /nfs/dbraw/zinc/60/93/47/385609347.db2.gz VVICYJHWXBVWQV-UHFFFAOYSA-N 1 3 243.395 0.327 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309516535 385648760 /nfs/dbraw/zinc/64/87/60/385648760.db2.gz YWEZJXWSJPGVPV-UTLUCORTSA-N 1 3 211.309 0.077 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337433579 385657269 /nfs/dbraw/zinc/65/72/69/385657269.db2.gz BMXSCUASBPLHGH-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337433579 385657273 /nfs/dbraw/zinc/65/72/73/385657273.db2.gz BMXSCUASBPLHGH-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000337479823 385679220 /nfs/dbraw/zinc/67/92/20/385679220.db2.gz VXWVQNCOIKJWIP-UHFFFAOYSA-N 1 3 239.363 0.706 20 0 BCADHO CCN(CC)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000337479823 385679224 /nfs/dbraw/zinc/67/92/24/385679224.db2.gz VXWVQNCOIKJWIP-UHFFFAOYSA-N 1 3 239.363 0.706 20 0 BCADHO C[C@H](Cn1cccn1)NCCC[NH+](C)C ZINC000116399462 385734070 /nfs/dbraw/zinc/73/40/70/385734070.db2.gz OZTVNNRSCCENBT-LLVKDONJSA-N 1 3 210.325 0.813 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000262518520 385854523 /nfs/dbraw/zinc/85/45/23/385854523.db2.gz HMWADAHRFQJFED-JBLDHEPKSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000186809088 385796778 /nfs/dbraw/zinc/79/67/78/385796778.db2.gz NPEHFRDXZYORBE-VWYCJHECSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CNCCN1C(=O)C1CC[NH2+]CC1 ZINC000647840036 385887709 /nfs/dbraw/zinc/88/77/09/385887709.db2.gz NXQNRPIIPFOMFA-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO COC(=O)C(C)(C)CC[NH2+]C[C@H](C)CN ZINC000414875240 385895119 /nfs/dbraw/zinc/89/51/19/385895119.db2.gz JOHRISNZRVXOAM-SECBINFHSA-N 1 3 216.325 0.760 20 0 BCADHO COC(=O)C(C)(C)CCNC[C@H](C)C[NH3+] ZINC000414875240 385895123 /nfs/dbraw/zinc/89/51/23/385895123.db2.gz JOHRISNZRVXOAM-SECBINFHSA-N 1 3 216.325 0.760 20 0 BCADHO Cc1noc(CCCN(C)CCC[NH3+])n1 ZINC000647847527 385898327 /nfs/dbraw/zinc/89/83/27/385898327.db2.gz QUWTZUIQXZCPLM-UHFFFAOYSA-N 1 3 212.297 0.591 20 0 BCADHO CN(C[C@@H](O)C[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000308820438 385873230 /nfs/dbraw/zinc/87/32/30/385873230.db2.gz BUCSCEMCEOFQOY-BDAKNGLRSA-N 1 3 222.279 0.673 20 0 BCADHO Cn1ccc(CN2CC[C@H](C[NH3+])C2)cc1=O ZINC000647829407 385877778 /nfs/dbraw/zinc/87/77/78/385877778.db2.gz AIPVMEAXFNJOOY-LLVKDONJSA-N 1 3 221.304 0.166 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)CN1C1CC1 ZINC000638136485 385879988 /nfs/dbraw/zinc/87/99/88/385879988.db2.gz ZAAMHXHESUZDNB-ADEWGFFLSA-N 1 3 249.358 0.775 20 0 BCADHO CC[C@H](C(=O)NC1(C[NH+](C)C)CCC1)N(C)C ZINC000413777080 385882229 /nfs/dbraw/zinc/88/22/29/385882229.db2.gz XRCIHOACVXHSBP-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000295173093 385983761 /nfs/dbraw/zinc/98/37/61/385983761.db2.gz LRKWRXDKUKAJSK-OLZOCXBDSA-N 1 3 249.358 0.828 20 0 BCADHO Cn1ccc(CN[C@](C)(C[NH3+])C2CC2)cc1=O ZINC000647867924 385987305 /nfs/dbraw/zinc/98/73/05/385987305.db2.gz GKORMMGLPKIWJC-CYBMUJFWSA-N 1 3 235.331 0.602 20 0 BCADHO NC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222369 385993186 /nfs/dbraw/zinc/99/31/86/385993186.db2.gz RDMRYNLCFXQZGX-OLZOCXBDSA-N 1 3 247.342 0.582 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000295214208 385993223 /nfs/dbraw/zinc/99/32/23/385993223.db2.gz LYRWLQCNZHIDLK-RYUDHWBXSA-N 1 3 235.331 0.930 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335059974 385961462 /nfs/dbraw/zinc/96/14/62/385961462.db2.gz GASDDPRONFLTRX-ZYHUDNBSSA-N 1 3 247.342 0.759 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000295072641 385961697 /nfs/dbraw/zinc/96/16/97/385961697.db2.gz HMWADAHRFQJFED-CKYFFXLPSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000111612045 385968544 /nfs/dbraw/zinc/96/85/44/385968544.db2.gz FDJVUESBGIHKLE-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC1(C(=O)NCc2ccc3c(c2)CNC3)C[NH2+]C1 ZINC000335014680 385971802 /nfs/dbraw/zinc/97/18/02/385971802.db2.gz ULLGRFIZTMQKKR-UHFFFAOYSA-N 1 3 245.326 0.516 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335061312 386026887 /nfs/dbraw/zinc/02/68/87/386026887.db2.gz MOXLHYGEKCXIMC-ONGXEEELSA-N 1 3 233.315 0.640 20 0 BCADHO CCN(C)CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000129027728 386043902 /nfs/dbraw/zinc/04/39/02/386043902.db2.gz VZDTXFMGPQDRBH-LBPRGKRZSA-N 1 3 227.352 0.587 20 0 BCADHO CC[N@H+](C)CCNC(=O)C1(N)CCCCC1 ZINC000054133166 386109941 /nfs/dbraw/zinc/10/99/41/386109941.db2.gz WWQCQURDLILMQI-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC[N@@H+](C)CCNC(=O)C1(N)CCCCC1 ZINC000054133166 386109943 /nfs/dbraw/zinc/10/99/43/386109943.db2.gz WWQCQURDLILMQI-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCN(C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000054133166 386109945 /nfs/dbraw/zinc/10/99/45/386109945.db2.gz WWQCQURDLILMQI-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133385 386110127 /nfs/dbraw/zinc/11/01/27/386110127.db2.gz PFLRTCYYAPXDBB-JTQLQIEISA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133385 386110132 /nfs/dbraw/zinc/11/01/32/386110132.db2.gz PFLRTCYYAPXDBB-JTQLQIEISA-N 1 3 247.408 0.523 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NCC[NH2+]C1CC1 ZINC000647754570 386110628 /nfs/dbraw/zinc/11/06/28/386110628.db2.gz RPSGDMHKLVAJKR-CYBMUJFWSA-N 1 3 247.342 0.425 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133552 386111423 /nfs/dbraw/zinc/11/14/23/386111423.db2.gz UONFLPAJNFMHRA-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133552 386111426 /nfs/dbraw/zinc/11/14/26/386111426.db2.gz UONFLPAJNFMHRA-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000054133394 386111442 /nfs/dbraw/zinc/11/14/42/386111442.db2.gz FZTOVARPIITJTE-SNVBAGLBSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000054133394 386111449 /nfs/dbraw/zinc/11/14/49/386111449.db2.gz FZTOVARPIITJTE-SNVBAGLBSA-N 1 3 229.368 0.816 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@@H](CCO)COC)[C@H](C)C1 ZINC000345238535 386076270 /nfs/dbraw/zinc/07/62/70/386076270.db2.gz IMPGKHGOHPWNSX-AGIUHOORSA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@@H](CCO)COC)[C@H](C)C1 ZINC000345238535 386076273 /nfs/dbraw/zinc/07/62/73/386076273.db2.gz IMPGKHGOHPWNSX-AGIUHOORSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404399 386077914 /nfs/dbraw/zinc/07/79/14/386077914.db2.gz PQETYIFGGAUISK-NEPJUHHUSA-N 1 3 230.352 0.410 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365404399 386077915 /nfs/dbraw/zinc/07/79/15/386077915.db2.gz PQETYIFGGAUISK-NEPJUHHUSA-N 1 3 230.352 0.410 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404405 386077996 /nfs/dbraw/zinc/07/79/96/386077996.db2.gz PQETYIFGGAUISK-RYUDHWBXSA-N 1 3 230.352 0.410 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404405 386078001 /nfs/dbraw/zinc/07/80/01/386078001.db2.gz PQETYIFGGAUISK-RYUDHWBXSA-N 1 3 230.352 0.410 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000414673131 386145232 /nfs/dbraw/zinc/14/52/32/386145232.db2.gz QHLRRBONSZGRNA-VHSXEESVSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000414673131 386145236 /nfs/dbraw/zinc/14/52/36/386145236.db2.gz QHLRRBONSZGRNA-VHSXEESVSA-N 1 3 213.325 0.167 20 0 BCADHO COCCNCCN[C@H](C)C[C@H]1CCC[NH2+]1 ZINC000414892435 386148405 /nfs/dbraw/zinc/14/84/05/386148405.db2.gz XAXPTQDRQKJTHB-VXGBXAGGSA-N 1 3 229.368 0.343 20 0 BCADHO CCNC(=O)CN(CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414677518 386158289 /nfs/dbraw/zinc/15/82/89/386158289.db2.gz JEUKSLBCPIYKCF-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346181841 386161636 /nfs/dbraw/zinc/16/16/36/386161636.db2.gz BVNMDPATBBTYAA-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346181841 386161639 /nfs/dbraw/zinc/16/16/39/386161639.db2.gz BVNMDPATBBTYAA-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC000338896870 386169963 /nfs/dbraw/zinc/16/99/63/386169963.db2.gz PNYNSVFHVUFFGN-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000336754078 386175257 /nfs/dbraw/zinc/17/52/57/386175257.db2.gz WSPZONLSPASNBE-BBBLOLIVSA-N 1 3 213.325 0.323 20 0 BCADHO CNCC(=O)N1CC[C@@H]([NH3+])c2cc(OC)ccc21 ZINC000365493473 386130382 /nfs/dbraw/zinc/13/03/82/386130382.db2.gz ONWLJXWPBNPHCZ-LLVKDONJSA-N 1 3 249.314 0.651 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN[C@H]1CNCCC1(F)F ZINC000414998416 386200592 /nfs/dbraw/zinc/20/05/92/386200592.db2.gz IZANJZWUYRDNFI-ZJUUUORDSA-N 1 3 235.322 0.947 20 0 BCADHO [NH3+]CCOCCN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000647880910 386202382 /nfs/dbraw/zinc/20/23/82/386202382.db2.gz BAEXCIHEGHKDFK-LLVKDONJSA-N 1 3 238.335 0.564 20 0 BCADHO CC(C)(C)[NH2+]CCN[C@@H]1CNCCC1(F)F ZINC000414998732 386206247 /nfs/dbraw/zinc/20/62/47/386206247.db2.gz JHOUREWSFUKXTL-SECBINFHSA-N 1 3 235.322 0.961 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H](N)CC(C)C)C1 ZINC000414702219 386207110 /nfs/dbraw/zinc/20/71/10/386207110.db2.gz UVUORUODCMBLLM-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](N)CC(C)C)C1 ZINC000414702219 386207112 /nfs/dbraw/zinc/20/71/12/386207112.db2.gz UVUORUODCMBLLM-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132924495 386259567 /nfs/dbraw/zinc/25/95/67/386259567.db2.gz MMOYFRJKGAWXFH-GARJFASQSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132924495 386259572 /nfs/dbraw/zinc/25/95/72/386259572.db2.gz MMOYFRJKGAWXFH-GARJFASQSA-N 1 3 227.352 0.569 20 0 BCADHO NC(=O)CC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647882719 386236994 /nfs/dbraw/zinc/23/69/94/386236994.db2.gz VNBPFCWZYDOAEH-NEPJUHHUSA-N 1 3 239.363 0.573 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000132878359 386259099 /nfs/dbraw/zinc/25/90/99/386259099.db2.gz RRQCDQALKSINSZ-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000430692616 386290734 /nfs/dbraw/zinc/29/07/34/386290734.db2.gz TZZZLZVLXSYHGL-WDEREUQCSA-N 1 3 227.352 0.426 20 0 BCADHO C[C@H]1CNCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335263413 386291568 /nfs/dbraw/zinc/29/15/68/386291568.db2.gz HTTZAHPCMUCLOR-JTQLQIEISA-N 1 3 245.326 0.724 20 0 BCADHO C[C@H](CO)[N@H+](C)CC[C@@H]1CCCN1C ZINC000336673722 386306223 /nfs/dbraw/zinc/30/62/23/386306223.db2.gz PMIRZJMBOQDMHI-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](CO)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000336673722 386306227 /nfs/dbraw/zinc/30/62/27/386306227.db2.gz PMIRZJMBOQDMHI-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CC2(C)COC2)C1 ZINC000336649926 386263840 /nfs/dbraw/zinc/26/38/40/386263840.db2.gz RXGGHPSCJXAOCW-NSHDSACASA-N 1 3 212.337 0.906 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000132961680 386271872 /nfs/dbraw/zinc/27/18/72/386271872.db2.gz HJLYAEKZRODKGJ-RYUDHWBXSA-N 1 3 241.379 0.783 20 0 BCADHO CN1CCC[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000265606322 386353316 /nfs/dbraw/zinc/35/33/16/386353316.db2.gz BFBHAHUJERGRDS-ZRQQLDRUSA-N 1 3 225.336 0.315 20 0 BCADHO C[C@H](CNC(=O)N(C)CC[NH3+])N(C)C1CC1 ZINC000417548513 386353722 /nfs/dbraw/zinc/35/37/22/386353722.db2.gz IHPJOOYCKMTNHS-SECBINFHSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H](CNC(=O)NCCCC[NH3+])N(C)C1CC1 ZINC000417552076 386355174 /nfs/dbraw/zinc/35/51/74/386355174.db2.gz PWQMOENIFUQVKW-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000336732010 386358000 /nfs/dbraw/zinc/35/80/00/386358000.db2.gz ZBPFADARIPVKAF-VIFPVBQESA-N 1 3 249.305 0.569 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000336732010 386358008 /nfs/dbraw/zinc/35/80/08/386358008.db2.gz ZBPFADARIPVKAF-VIFPVBQESA-N 1 3 249.305 0.569 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417552507 386359135 /nfs/dbraw/zinc/35/91/35/386359135.db2.gz RLORQQOLYMAAOS-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO COCCOC[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890060 386360397 /nfs/dbraw/zinc/36/03/97/386360397.db2.gz KOPCVVXEGZJTMV-OLZOCXBDSA-N 1 3 242.363 0.581 20 0 BCADHO C[C@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335274552 386330037 /nfs/dbraw/zinc/33/00/37/386330037.db2.gz BJRPGDHDBUETKV-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCn3cccn3)C[C@@H]21 ZINC000230045531 386336076 /nfs/dbraw/zinc/33/60/76/386336076.db2.gz HPLZQRKEVJVMPY-FRRDWIJNSA-N 1 3 234.347 0.942 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCN(C)C ZINC000166087857 386390389 /nfs/dbraw/zinc/39/03/89/386390389.db2.gz MUAZWAJHSFOMFR-NWDGAFQWSA-N 1 3 229.368 0.295 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000417584127 386409216 /nfs/dbraw/zinc/40/92/16/386409216.db2.gz MEQFSUNSEQHHDW-NSHDSACASA-N 1 3 242.367 0.509 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC[NH3+] ZINC000417579839 386409692 /nfs/dbraw/zinc/40/96/92/386409692.db2.gz BTQAFHVGHDEBRG-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO CCOC(=O)CC(C)(C)N(C)CCC[NH3+] ZINC000414759738 386411902 /nfs/dbraw/zinc/41/19/02/386411902.db2.gz PAUNBSKLDKTCAL-UHFFFAOYSA-N 1 3 216.325 0.999 20 0 BCADHO CCOC(=O)CC(C)(C)[N@H+](C)CCCN ZINC000414759738 386411906 /nfs/dbraw/zinc/41/19/06/386411906.db2.gz PAUNBSKLDKTCAL-UHFFFAOYSA-N 1 3 216.325 0.999 20 0 BCADHO CCOC(=O)CC(C)(C)[N@@H+](C)CCCN ZINC000414759738 386411912 /nfs/dbraw/zinc/41/19/12/386411912.db2.gz PAUNBSKLDKTCAL-UHFFFAOYSA-N 1 3 216.325 0.999 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@H]1CC[NH2+]C1 ZINC000647991492 386416367 /nfs/dbraw/zinc/41/63/67/386416367.db2.gz AAICWXISPYJSTN-QWRGUYRKSA-N 1 3 208.309 0.471 20 0 BCADHO C[C@@H]([NH3+])CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000442665599 386417322 /nfs/dbraw/zinc/41/73/22/386417322.db2.gz NEPYRVYGHWWYAT-NEPJUHHUSA-N 1 3 241.379 0.519 20 0 BCADHO C[C@@H]1C[C@H](CN2CC[C@@](F)(CO)C2)CC[NH2+]1 ZINC000414761588 386420742 /nfs/dbraw/zinc/42/07/42/386420742.db2.gz JNRLDTYUOGSXOG-UTUOFQBUSA-N 1 3 230.327 0.781 20 0 BCADHO C[C@@H]1C[C@H](CN2CC[C@](F)(CO)C2)CC[NH2+]1 ZINC000414761586 386422639 /nfs/dbraw/zinc/42/26/39/386422639.db2.gz JNRLDTYUOGSXOG-IJLUTSLNSA-N 1 3 230.327 0.781 20 0 BCADHO COC(=O)[C@H]1CCN(CCC[NH3+])[C@H]1C ZINC000414761986 386422943 /nfs/dbraw/zinc/42/29/43/386422943.db2.gz VEHRTEGNMJMTSK-IUCAKERBSA-N 1 3 200.282 0.219 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000519402958 386430198 /nfs/dbraw/zinc/43/01/98/386430198.db2.gz MGPLAEDULRTXIL-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)N(C)CC[NH3+] ZINC000417014262 386432380 /nfs/dbraw/zinc/43/23/80/386432380.db2.gz DAVHNOMKCOOKIG-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC(C)(C)[NH+](C)C ZINC000394806592 386434138 /nfs/dbraw/zinc/43/41/38/386434138.db2.gz DSRJSQUGLSJHBZ-SECBINFHSA-N 1 3 227.352 0.583 20 0 BCADHO CC1CCN(CCNC(=O)NCCC[NH3+])CC1 ZINC000417021163 386434389 /nfs/dbraw/zinc/43/43/89/386434389.db2.gz TWIUUDYSAJHCOI-UHFFFAOYSA-N 1 3 242.367 0.366 20 0 BCADHO C[C@H](C[NH3+])NC(=O)NCCN1CCC(C)CC1 ZINC000417008517 386435186 /nfs/dbraw/zinc/43/51/86/386435186.db2.gz IXGQHHWYIXPHEY-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000094648345 386466274 /nfs/dbraw/zinc/46/62/74/386466274.db2.gz FWOAMLOFZJKVCD-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CC(=O)N(C)C)N[C@H](C[NH3+])C1CCCC1 ZINC000415044305 386528473 /nfs/dbraw/zinc/52/84/73/386528473.db2.gz BQDDCNFQNPWJDF-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)NCCN(C)C1CC1 ZINC000417621315 386468718 /nfs/dbraw/zinc/46/87/18/386468718.db2.gz FHFOJWYMIQXCJM-NSHDSACASA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000417276947 386470213 /nfs/dbraw/zinc/47/02/13/386470213.db2.gz FOCFDDOHPOSSAH-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO NCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335428614 386484809 /nfs/dbraw/zinc/48/48/09/386484809.db2.gz IXWINQDQCQOBFC-NSHDSACASA-N 1 3 219.288 0.030 20 0 BCADHO C[C@@H](N)[C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000415011137 386485179 /nfs/dbraw/zinc/48/51/79/386485179.db2.gz QEQDSHJWQZOZIE-RKDXNWHRSA-N 1 3 233.319 0.794 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NCCN(C)C1CC1 ZINC000062010209 386491064 /nfs/dbraw/zinc/49/10/64/386491064.db2.gz BRRCHAHFFOUQPM-LBPRGKRZSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](CC(=O)N(C)C)N[C@H](C[NH3+])C1CCCC1 ZINC000415044300 386529427 /nfs/dbraw/zinc/52/94/27/386529427.db2.gz BQDDCNFQNPWJDF-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@H](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000366465368 386513309 /nfs/dbraw/zinc/51/33/09/386513309.db2.gz XENFQWVDOJJYAQ-CZXHOFHRSA-N 1 3 245.326 0.411 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000335447948 386513955 /nfs/dbraw/zinc/51/39/55/386513955.db2.gz YAQBEIZOWKVFDB-MFKMUULPSA-N 1 3 247.342 0.679 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000335447947 386515675 /nfs/dbraw/zinc/51/56/75/386515675.db2.gz YAQBEIZOWKVFDB-GXFFZTMASA-N 1 3 247.342 0.679 20 0 BCADHO NC1(C(=O)N2CCC3(C2)CC[NH2+]CC3)CCC1 ZINC000335454784 386530464 /nfs/dbraw/zinc/53/04/64/386530464.db2.gz DKQOOKQAWOBWPA-UHFFFAOYSA-N 1 3 237.347 0.470 20 0 BCADHO COCC(C)(C)C[NH2+]C[C@@H]1CNCCCO1 ZINC000415039922 386527243 /nfs/dbraw/zinc/52/72/43/386527243.db2.gz NLOPGEYHXSQTPZ-NSHDSACASA-N 1 3 230.352 0.627 20 0 BCADHO COCC(C)(C)CNC[C@@H]1C[NH2+]CCCO1 ZINC000415039922 386527251 /nfs/dbraw/zinc/52/72/51/386527251.db2.gz NLOPGEYHXSQTPZ-NSHDSACASA-N 1 3 230.352 0.627 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCC[NH3+] ZINC000417090923 386453101 /nfs/dbraw/zinc/45/31/01/386453101.db2.gz ZIHRIGXIBSLWHS-JTQLQIEISA-N 1 3 230.356 0.221 20 0 BCADHO CCN1CCC[C@@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000399216034 386458041 /nfs/dbraw/zinc/45/80/41/386458041.db2.gz HRXVYEMUBSZCHD-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000059931430 386463967 /nfs/dbraw/zinc/46/39/67/386463967.db2.gz MIUKFHPBXZJCQM-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000647779784 386582645 /nfs/dbraw/zinc/58/26/45/386582645.db2.gz QZAFMLNPGAEUSZ-GRYCIOLGSA-N 1 3 239.363 0.442 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335418735 386586479 /nfs/dbraw/zinc/58/64/79/386586479.db2.gz SXFJPEHXIUBHDT-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO CCN1CCCC[C@@H]1CN[C@@H]1CC[NH2+]C1 ZINC000415081782 386598937 /nfs/dbraw/zinc/59/89/37/386598937.db2.gz NLBICQBYPBNGLB-VXGBXAGGSA-N 1 3 211.353 0.812 20 0 BCADHO C[NH2+]CCCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417675231 386531374 /nfs/dbraw/zinc/53/13/74/386531374.db2.gz BRROMWVYZFSHLM-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000062902554 386532386 /nfs/dbraw/zinc/53/23/86/386532386.db2.gz LXBXADPUNNTOBY-MFKMUULPSA-N 1 3 237.347 0.339 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000062972554 386534741 /nfs/dbraw/zinc/53/47/41/386534741.db2.gz KLHBXSRYUHKBSO-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973559 386535642 /nfs/dbraw/zinc/53/56/42/386535642.db2.gz HVARXZHIGQUUED-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335459720 386539921 /nfs/dbraw/zinc/53/99/21/386539921.db2.gz CHMUIWXSWMYHCR-PSASIEDQSA-N 1 3 219.288 0.250 20 0 BCADHO CC(C)[C@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415063369 386545904 /nfs/dbraw/zinc/54/59/04/386545904.db2.gz OFCLRDMMQRWKAU-LBELIVKGSA-N 1 3 224.348 0.997 20 0 BCADHO CCO[C@@H]1C[C@@H]1N[C@@H](CCC[NH3+])COC ZINC000519762267 386551852 /nfs/dbraw/zinc/55/18/52/386551852.db2.gz INPIPZDBJKXAHT-GARJFASQSA-N 1 3 216.325 0.507 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCCN1C ZINC000354090215 386556251 /nfs/dbraw/zinc/55/62/51/386556251.db2.gz BBEXLRIQWQBELJ-GFCCVEGCSA-N 1 3 239.363 0.633 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCCN1C ZINC000354090215 386556253 /nfs/dbraw/zinc/55/62/53/386556253.db2.gz BBEXLRIQWQBELJ-GFCCVEGCSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000417691478 386558988 /nfs/dbraw/zinc/55/89/88/386558988.db2.gz WVBQCAXRSZQVQL-ZJUUUORDSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417691475 386559075 /nfs/dbraw/zinc/55/90/75/386559075.db2.gz WVBQCAXRSZQVQL-NXEZZACHSA-N 1 3 240.351 0.260 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)C1(C)C[NH2+]C1 ZINC000335497322 386620581 /nfs/dbraw/zinc/62/05/81/386620581.db2.gz UZZWEBXSQDIWKV-NSHDSACASA-N 1 3 239.363 0.396 20 0 BCADHO CC(C)C[C@H](C)CN(C)C[C@@H](O)C[NH3+] ZINC000336644901 386600800 /nfs/dbraw/zinc/60/08/00/386600800.db2.gz AUXOINLHSQEBFO-QWRGUYRKSA-N 1 3 202.342 0.920 20 0 BCADHO COC(=O)c1ccc(C[NH2+][C@@H](CN)C2CC2)[nH]1 ZINC000414803757 386601031 /nfs/dbraw/zinc/60/10/31/386601031.db2.gz NZGFAVKMZRAGNS-NSHDSACASA-N 1 3 237.303 0.628 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)CNC)C1 ZINC000062972716 386665907 /nfs/dbraw/zinc/66/59/07/386665907.db2.gz ULLZJLJIAFKASU-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000137322848 386670772 /nfs/dbraw/zinc/67/07/72/386670772.db2.gz QZKWBWZCAAFRNR-WDEREUQCSA-N 1 3 227.352 0.426 20 0 BCADHO Cn1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1=O ZINC000647954450 386682549 /nfs/dbraw/zinc/68/25/49/386682549.db2.gz HMQVYFHTTUETTN-ZDUSSCGKSA-N 1 3 235.331 0.556 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335520507 386659023 /nfs/dbraw/zinc/65/90/23/386659023.db2.gz FJEFBDXMHUYBQV-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)C1CCN(C)CC1 ZINC000335475338 386698843 /nfs/dbraw/zinc/69/88/43/386698843.db2.gz XMVPFQFMSVXNBV-AOOOYVTPSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476528 386700682 /nfs/dbraw/zinc/70/06/82/386700682.db2.gz CYRIANXMVJSMDN-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@]1(F)CNCCN(CC2(C[NH3+])CC2)C1 ZINC000335480244 386706991 /nfs/dbraw/zinc/70/69/91/386706991.db2.gz MOUXXJFBSHRGFE-SNVBAGLBSA-N 1 3 215.316 0.359 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417785969 386719868 /nfs/dbraw/zinc/71/98/68/386719868.db2.gz QIJWFWWQWJCWME-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000417786322 386721298 /nfs/dbraw/zinc/72/12/98/386721298.db2.gz QVKDUXQVPAAYFR-MXWKQRLJSA-N 1 3 225.336 0.243 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357318496 386758532 /nfs/dbraw/zinc/75/85/32/386758532.db2.gz USAAMWCCAKNRRI-DMDPSCGWSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357318499 386759422 /nfs/dbraw/zinc/75/94/22/386759422.db2.gz USAAMWCCAKNRRI-NQBHXWOUSA-N 1 3 241.379 0.831 20 0 BCADHO CN(CC[NH3+])C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000417830460 386789905 /nfs/dbraw/zinc/78/99/05/386789905.db2.gz GZEHMYZIRGVCRA-LLVKDONJSA-N 1 3 239.294 0.285 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417812581 386781142 /nfs/dbraw/zinc/78/11/42/386781142.db2.gz OSCHDGWOUNTBOM-VHSXEESVSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000417813083 386781628 /nfs/dbraw/zinc/78/16/28/386781628.db2.gz QTMFNARCDMUJCV-WYUUTHIRSA-N 1 3 239.363 0.570 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248642222 386782593 /nfs/dbraw/zinc/78/25/93/386782593.db2.gz RMXFKBHAUMKELA-SRVKXCTJSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H](C(=O)N(C)CC[NH3+])[C@H](N)c1ccccc1 ZINC000417825327 386783742 /nfs/dbraw/zinc/78/37/42/386783742.db2.gz BBDFHLIMLSJPTD-JQWIXIFHSA-N 1 3 235.331 0.740 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418000670 386818104 /nfs/dbraw/zinc/81/81/04/386818104.db2.gz JRPMIOZISLCSCU-GMTAPVOTSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C[C@H]1C[NH3+] ZINC000417837320 386797035 /nfs/dbraw/zinc/79/70/35/386797035.db2.gz MDZDPBHWZUCWTH-GMTAPVOTSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000417845191 386798579 /nfs/dbraw/zinc/79/85/79/386798579.db2.gz XKGPZHAPRPMNGG-WYUUTHIRSA-N 1 3 239.363 0.618 20 0 BCADHO CCCC[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000417840715 386800422 /nfs/dbraw/zinc/80/04/22/386800422.db2.gz SCGZSXFBTAFXHK-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000417854424 386802557 /nfs/dbraw/zinc/80/25/57/386802557.db2.gz JWSFPNGCBJQTNN-LPEHRKFASA-N 1 3 240.351 0.258 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417851715 386802698 /nfs/dbraw/zinc/80/26/98/386802698.db2.gz NPSLLXUORDBMPL-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)NCCC[NH3+])CN1C1CC1 ZINC000417859699 386804367 /nfs/dbraw/zinc/80/43/67/386804367.db2.gz SKEBKSSPYCZGOR-ZJUUUORDSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417857620 386804437 /nfs/dbraw/zinc/80/44/37/386804437.db2.gz UEJLKGVUHLLZJJ-IMSYWVGJSA-N 1 3 213.325 0.226 20 0 BCADHO CC[NH2+]CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000417996238 386805476 /nfs/dbraw/zinc/80/54/76/386805476.db2.gz DRMRMYSUFVAWLO-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO CC[NH2+]CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000417996240 386806574 /nfs/dbraw/zinc/80/65/74/386806574.db2.gz DRMRMYSUFVAWLO-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417849931 386806957 /nfs/dbraw/zinc/80/69/57/386806957.db2.gz WVQOYZMUBYLSIT-BJDJZHNGSA-N 1 3 241.379 0.803 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417850453 386808129 /nfs/dbraw/zinc/80/81/29/386808129.db2.gz XPHQHITVLCMUMU-WOPDTQHZSA-N 1 3 241.379 0.803 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417850450 386808209 /nfs/dbraw/zinc/80/82/09/386808209.db2.gz XPHQHITVLCMUMU-UTUOFQBUSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@H]1[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCCN1C ZINC000417993825 386808536 /nfs/dbraw/zinc/80/85/36/386808536.db2.gz BBMYQEVVBLNDOX-AXFHLTTASA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H]1[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCCN1C ZINC000417993829 386809445 /nfs/dbraw/zinc/80/94/45/386809445.db2.gz BBMYQEVVBLNDOX-HBNTYKKESA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000417994912 386812417 /nfs/dbraw/zinc/81/24/17/386812417.db2.gz CQPGRWNOMIFMQQ-GARJFASQSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H](CC(N)=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000357846838 386853766 /nfs/dbraw/zinc/85/37/66/386853766.db2.gz IWKGMYVJYTZNKO-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357846838 386853772 /nfs/dbraw/zinc/85/37/72/386853772.db2.gz IWKGMYVJYTZNKO-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1[C@H](NC(=O)NCCC[NH3+])CCCN1C ZINC000418004223 386848370 /nfs/dbraw/zinc/84/83/70/386848370.db2.gz NXLOJYNCPFRLIR-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191328287 386855158 /nfs/dbraw/zinc/85/51/58/386855158.db2.gz XGCGMFLQBMKCAB-OPRDCNLKSA-N 1 3 213.325 0.310 20 0 BCADHO CS[C@@H]1CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000425346401 386858121 /nfs/dbraw/zinc/85/81/21/386858121.db2.gz KLZXQBAVCGOLMZ-GHMZBOCLSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418006958 386865364 /nfs/dbraw/zinc/86/53/64/386865364.db2.gz QQYHJHWXWYKTAM-VWYCJHECSA-N 1 3 242.367 0.363 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852662 386901829 /nfs/dbraw/zinc/90/18/29/386901829.db2.gz XDEIIEYJVORAAF-VXGBXAGGSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852662 386901832 /nfs/dbraw/zinc/90/18/32/386901832.db2.gz XDEIIEYJVORAAF-VXGBXAGGSA-N 1 3 224.348 0.927 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418012774 386907220 /nfs/dbraw/zinc/90/72/20/386907220.db2.gz YKNSVOBQXYXWLB-BBBLOLIVSA-N 1 3 228.340 0.116 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331900797 386924538 /nfs/dbraw/zinc/92/45/38/386924538.db2.gz SFRUFWWBJNURCZ-MNOVXSKESA-N 1 3 239.363 0.618 20 0 BCADHO N[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000331946080 386928834 /nfs/dbraw/zinc/92/88/34/386928834.db2.gz IBBKIMCHLSUESY-AXFHLTTASA-N 1 3 225.336 0.357 20 0 BCADHO N[C@@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000331946100 386929041 /nfs/dbraw/zinc/92/90/41/386929041.db2.gz IBBKIMCHLSUESY-HBNTYKKESA-N 1 3 225.336 0.357 20 0 BCADHO [NH3+]C[C@@H]1CCN(CCC(=O)Nc2cccnc2)C1 ZINC000358320947 386932908 /nfs/dbraw/zinc/93/29/08/386932908.db2.gz MZKVLRRBTPMMTK-NSHDSACASA-N 1 3 248.330 0.691 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000332018984 386941952 /nfs/dbraw/zinc/94/19/52/386941952.db2.gz QPAQVEBEKYXMSS-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000368451897 386973657 /nfs/dbraw/zinc/97/36/57/386973657.db2.gz VVCWVGDGKQDSRZ-JBLDHEPKSA-N 1 3 243.326 0.416 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(F)CCNC1 ZINC000368453514 386974364 /nfs/dbraw/zinc/97/43/64/386974364.db2.gz KPUSQIHRWAEXBN-MWLCHTKSSA-N 1 3 231.315 0.144 20 0 BCADHO N[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426052 386997134 /nfs/dbraw/zinc/99/71/34/386997134.db2.gz XJJHSXQKIOSLCX-GHMZBOCLSA-N 1 3 225.336 0.372 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000334921133 386997234 /nfs/dbraw/zinc/99/72/34/386997234.db2.gz CPWZPUGBSKHNME-QWRGUYRKSA-N 1 3 240.351 0.213 20 0 BCADHO C[C@@H]1CN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)CN1 ZINC000334932383 387008795 /nfs/dbraw/zinc/00/87/95/387008795.db2.gz QFXZESJCTOXSSF-ZJUUUORDSA-N 1 3 240.351 0.260 20 0 BCADHO [NH3+][C@H](CNC(=O)[C@@H]1CNCCC1(F)F)C1CC1 ZINC000648106317 387031375 /nfs/dbraw/zinc/03/13/75/387031375.db2.gz YTVZHOYIPHHECE-DTWKUNHWSA-N 1 3 247.289 0.085 20 0 BCADHO CN(CCNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000333403435 387033144 /nfs/dbraw/zinc/03/31/44/387033144.db2.gz QHMAMIRHBQCKBE-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO [NH3+]CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106401 387035049 /nfs/dbraw/zinc/03/50/49/387035049.db2.gz KFQZLBWNEYDOIT-UHFFFAOYSA-N 1 3 220.276 0.015 20 0 BCADHO C[C@@H]1CCN(C(=O)C2(N)CCCC2)C[C@@H]1C[NH3+] ZINC000334962198 387043099 /nfs/dbraw/zinc/04/30/99/387043099.db2.gz RIVYRQNRAKFRDU-MNOVXSKESA-N 1 3 239.363 0.701 20 0 BCADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000334964739 387045412 /nfs/dbraw/zinc/04/54/12/387045412.db2.gz CMKTWMKCHWQRFM-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)C[N@H+](C)C(C)C ZINC000359214410 387066807 /nfs/dbraw/zinc/06/68/07/387066807.db2.gz DMNNINOHHDTPDB-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)C[N@@H+](C)C(C)C ZINC000359214410 387066809 /nfs/dbraw/zinc/06/68/09/387066809.db2.gz DMNNINOHHDTPDB-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000334970891 387055287 /nfs/dbraw/zinc/05/52/87/387055287.db2.gz JNSHOJOFLVUKLK-JTQLQIEISA-N 1 3 239.363 0.762 20 0 BCADHO COC[C@@H](O)C[NH2+]C1CC(N2CCCCC2)C1 ZINC000519142929 387020208 /nfs/dbraw/zinc/02/02/08/387020208.db2.gz DXOGCDCFWGBLAH-BPCQOVAHSA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000334943948 387021942 /nfs/dbraw/zinc/02/19/42/387021942.db2.gz LBBYHOALALUNBF-VIFPVBQESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H]1C[C@@H](CN2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882572 387025743 /nfs/dbraw/zinc/02/57/43/387025743.db2.gz PKUPXOQWRRPMQA-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](CN2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882573 387026119 /nfs/dbraw/zinc/02/61/19/387026119.db2.gz PKUPXOQWRRPMQA-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000369107121 387029443 /nfs/dbraw/zinc/02/94/43/387029443.db2.gz PEJRWKWHFGYPPU-UHTWSYAYSA-N 1 3 247.342 0.535 20 0 BCADHO CN(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000334982169 387069540 /nfs/dbraw/zinc/06/95/40/387069540.db2.gz YVQHNBHDASUHBK-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO CC[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)N(C)C ZINC000359252136 387074291 /nfs/dbraw/zinc/07/42/91/387074291.db2.gz PHCUADOSJNYNDR-LBPRGKRZSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000336766076 387099809 /nfs/dbraw/zinc/09/98/09/387099809.db2.gz RVGVCWSXKNSLPJ-QMMMGPOBSA-N 1 3 201.314 0.167 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)NCCN(CC)C1CC1 ZINC000417427889 387099982 /nfs/dbraw/zinc/09/99/82/387099982.db2.gz JWHYFCHNVGAVDC-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@]1(F)CNCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647981640 387114567 /nfs/dbraw/zinc/11/45/67/387114567.db2.gz CNFXEHLIYQTQOS-WDEREUQCSA-N 1 3 215.316 0.229 20 0 BCADHO CCCC[C@@H](C[NH3+])N[C@@H]1CCN(CCOC)C1 ZINC000423299717 387128704 /nfs/dbraw/zinc/12/87/04/387128704.db2.gz QMXXUDPJXFZRCC-QWHCGFSZSA-N 1 3 243.395 0.814 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000353186203 387152679 /nfs/dbraw/zinc/15/26/79/387152679.db2.gz QJVWSSFZILVPQR-DLOVCJGASA-N 1 3 239.363 0.569 20 0 BCADHO CCC[NH2+]CCN[C@@H](C)C[C@@H]1COCCN1 ZINC000423315287 387154383 /nfs/dbraw/zinc/15/43/83/387154383.db2.gz XFGLUKVLQYDWIJ-NWDGAFQWSA-N 1 3 229.368 0.343 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423323553 387167942 /nfs/dbraw/zinc/16/79/42/387167942.db2.gz ICTIZRKGGQDHIS-AGIUHOORSA-N 1 3 225.380 0.916 20 0 BCADHO CC[C@]1(C(=O)NCCN(C)C2CC2)CC[NH2+]C1 ZINC000062910530 387172815 /nfs/dbraw/zinc/17/28/15/387172815.db2.gz TYCLTIIXCJJULK-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO O=C([C@@H]1CC[NH2+]C1)N1CC[C@H](N2CCCC2)C1 ZINC000062972920 387190205 /nfs/dbraw/zinc/19/02/05/387190205.db2.gz KZNNWUSZULXYPY-NEPJUHHUSA-N 1 3 237.347 0.293 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972439 387190408 /nfs/dbraw/zinc/19/04/08/387190408.db2.gz YYUFRSWATSGNFV-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062972973 387190713 /nfs/dbraw/zinc/19/07/13/387190713.db2.gz KDFASUJCULFYBX-NSHDSACASA-N 1 3 225.336 0.293 20 0 BCADHO O=C([C@H]1CC[NH2+]C1)N1CC[C@H](N2CCCC2)C1 ZINC000062972922 387190762 /nfs/dbraw/zinc/19/07/62/387190762.db2.gz KZNNWUSZULXYPY-RYUDHWBXSA-N 1 3 237.347 0.293 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461391 387206437 /nfs/dbraw/zinc/20/64/37/387206437.db2.gz QMDXEXHSCDOXNS-SSDOTTSWSA-N 1 3 241.257 0.332 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)C(N)C(F)(F)F ZINC000353461391 387206438 /nfs/dbraw/zinc/20/64/38/387206438.db2.gz QMDXEXHSCDOXNS-SSDOTTSWSA-N 1 3 241.257 0.332 20 0 BCADHO CCC(CC)C[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571939398 387206600 /nfs/dbraw/zinc/20/66/00/387206600.db2.gz LLMAROOMAMJWQE-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO CCC(CC)C[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571939398 387206602 /nfs/dbraw/zinc/20/66/02/387206602.db2.gz LLMAROOMAMJWQE-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO COc1ccc(C[C@H](C)N[C@@H](C)C[NH3+])cn1 ZINC000423361270 387213053 /nfs/dbraw/zinc/21/30/53/387213053.db2.gz AAZHUWKHSZOZFA-UWVGGRQHSA-N 1 3 223.320 0.958 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418203373 387217447 /nfs/dbraw/zinc/21/74/47/387217447.db2.gz KHDNNBCWRKBOHK-GARJFASQSA-N 1 3 242.367 0.234 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000572001772 387219177 /nfs/dbraw/zinc/21/91/77/387219177.db2.gz UFFCIQDBRLLUOX-LBPRGKRZSA-N 1 3 227.352 0.526 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000572001772 387219180 /nfs/dbraw/zinc/21/91/80/387219180.db2.gz UFFCIQDBRLLUOX-LBPRGKRZSA-N 1 3 227.352 0.526 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000572001772 387219182 /nfs/dbraw/zinc/21/91/82/387219182.db2.gz UFFCIQDBRLLUOX-LBPRGKRZSA-N 1 3 227.352 0.526 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)CN(C)C ZINC000418204727 387219749 /nfs/dbraw/zinc/21/97/49/387219749.db2.gz MDHUKSIFXUHBRS-VHSXEESVSA-N 1 3 230.356 0.219 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000418209675 387221880 /nfs/dbraw/zinc/22/18/80/387221880.db2.gz RXQZGLFVLVFCMD-MNOVXSKESA-N 1 3 244.383 0.753 20 0 BCADHO Cc1n[nH]c(C)c1CNCCOCC[NH+](C)C ZINC000230005144 387227616 /nfs/dbraw/zinc/22/76/16/387227616.db2.gz DCNKPPUGAFSDET-UHFFFAOYSA-N 1 3 240.351 0.694 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000423396769 387231145 /nfs/dbraw/zinc/23/11/45/387231145.db2.gz SMOBSJZLWHDPHX-XQQFMLRXSA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396761 387233111 /nfs/dbraw/zinc/23/31/11/387233111.db2.gz SMOBSJZLWHDPHX-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C ZINC000418267743 387236569 /nfs/dbraw/zinc/23/65/69/387236569.db2.gz WJKGADGQYGOEEE-VWYCJHECSA-N 1 3 242.367 0.315 20 0 BCADHO COC[C@H](CO)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000353609113 387240197 /nfs/dbraw/zinc/24/01/97/387240197.db2.gz AFNPPKAHGRUESJ-LBPRGKRZSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410905 387246292 /nfs/dbraw/zinc/24/62/92/387246292.db2.gz ARAAPPVANLOZFR-SFTQSGBHSA-N 1 3 249.358 0.434 20 0 BCADHO COCC1CCC(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000423420139 387249061 /nfs/dbraw/zinc/24/90/61/387249061.db2.gz AYMOOKOFSAZGBL-NGEZQELSSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000230216550 387250416 /nfs/dbraw/zinc/25/04/16/387250416.db2.gz WAYFBENRTKQFMQ-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)N1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000229725697 387194383 /nfs/dbraw/zinc/19/43/83/387194383.db2.gz ODHYGMAEVONLSZ-LBPRGKRZSA-N 1 3 239.363 0.680 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@@H]2CC[NH2+]C2)C1 ZINC000423348141 387198359 /nfs/dbraw/zinc/19/83/59/387198359.db2.gz SSVZHTLTYZSHCT-QJPTWQEYSA-N 1 3 211.353 0.526 20 0 BCADHO CO[C@@H](CN)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000353423830 387200361 /nfs/dbraw/zinc/20/03/61/387200361.db2.gz DQQFZMQWZUBZRP-UWVGGRQHSA-N 1 3 245.367 0.053 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423465548 387312774 /nfs/dbraw/zinc/31/27/74/387312774.db2.gz WOOCNPLQHLSWDK-PWSUYJOCSA-N 1 3 241.379 0.995 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000645684963 387269875 /nfs/dbraw/zinc/26/98/75/387269875.db2.gz PARJQVVLACRSEW-GVXVVHGQSA-N 1 3 237.347 0.196 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000520825062 387275882 /nfs/dbraw/zinc/27/58/82/387275882.db2.gz UGKIEHJAGHJDMC-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000520825062 387275884 /nfs/dbraw/zinc/27/58/84/387275884.db2.gz UGKIEHJAGHJDMC-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CCNC(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000423390667 387276072 /nfs/dbraw/zinc/27/60/72/387276072.db2.gz KBWASVZOOMTELV-MFKMUULPSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423438099 387288886 /nfs/dbraw/zinc/28/88/86/387288886.db2.gz GTKOIQLCEFAWHK-XWLWVQCSSA-N 1 3 211.353 0.937 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423438099 387288892 /nfs/dbraw/zinc/28/88/92/387288892.db2.gz GTKOIQLCEFAWHK-XWLWVQCSSA-N 1 3 211.353 0.937 20 0 BCADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000514825337 387289548 /nfs/dbraw/zinc/28/95/48/387289548.db2.gz RJFGAJNJDSCQRI-NWDGAFQWSA-N 1 3 249.314 0.461 20 0 BCADHO CCOC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423444204 387293306 /nfs/dbraw/zinc/29/33/06/387293306.db2.gz WNGNUXZIBJFTHV-KIJLLGNVSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000423448549 387296593 /nfs/dbraw/zinc/29/65/93/387296593.db2.gz QKMPTDQMMJPGNE-FYLLDIAZSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423448549 387296599 /nfs/dbraw/zinc/29/65/99/387296599.db2.gz QKMPTDQMMJPGNE-FYLLDIAZSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1C1CC1 ZINC000423451332 387300250 /nfs/dbraw/zinc/30/02/50/387300250.db2.gz GIMQLTKHBLGZIO-XZPDDHLCSA-N 1 3 221.348 0.419 20 0 BCADHO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1 ZINC000372426070 387300631 /nfs/dbraw/zinc/30/06/31/387300631.db2.gz LDILGYWTRVJOLG-WISYIIOYSA-N 1 3 237.347 0.609 20 0 BCADHO CCC[C@H](C(=O)NC[C@H](C)C[NH3+])N(C)C ZINC000423453793 387301530 /nfs/dbraw/zinc/30/15/30/387301530.db2.gz KWOAHRUXZSEDAY-NXEZZACHSA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)[C@H](N)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367371291 387358391 /nfs/dbraw/zinc/35/83/91/387358391.db2.gz JXMZGBSDGXSPNZ-LBPRGKRZSA-N 1 3 248.330 0.649 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367371291 387358399 /nfs/dbraw/zinc/35/83/99/387358399.db2.gz JXMZGBSDGXSPNZ-LBPRGKRZSA-N 1 3 248.330 0.649 20 0 BCADHO CC[C@@H](Cn1cncn1)NCCC[NH2+]C1CC1 ZINC000423543510 387367485 /nfs/dbraw/zinc/36/74/85/387367485.db2.gz BZRUJDJMCHKAJJ-NSHDSACASA-N 1 3 237.351 0.788 20 0 BCADHO CC[C@@H](Cn1cncn1)[NH2+]CCCNC1CC1 ZINC000423543510 387367489 /nfs/dbraw/zinc/36/74/89/387367489.db2.gz BZRUJDJMCHKAJJ-NSHDSACASA-N 1 3 237.351 0.788 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423547941 387369630 /nfs/dbraw/zinc/36/96/30/387369630.db2.gz GHUJEMJDMKZUFD-IJLUTSLNSA-N 1 3 211.353 0.668 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000515351613 387369921 /nfs/dbraw/zinc/36/99/21/387369921.db2.gz MULJHITVIIOFPQ-JQWIXIFHSA-N 1 3 243.351 0.080 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000423548280 387370213 /nfs/dbraw/zinc/37/02/13/387370213.db2.gz MKXHQXKGAVAWHX-QJPTWQEYSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423547944 387371386 /nfs/dbraw/zinc/37/13/86/387371386.db2.gz GHUJEMJDMKZUFD-WOPDTQHZSA-N 1 3 211.353 0.668 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373562860 387379937 /nfs/dbraw/zinc/37/99/37/387379937.db2.gz SGDIQZOWZACERJ-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336498145 387323525 /nfs/dbraw/zinc/32/35/25/387323525.db2.gz LFENLKKDWXUNFD-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CNCCC1(F)F ZINC000423483814 387329734 /nfs/dbraw/zinc/32/97/34/387329734.db2.gz RRONOWMVPUMXDN-MXWKQRLJSA-N 1 3 247.333 0.913 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CNCCC1(F)F ZINC000423483814 387329737 /nfs/dbraw/zinc/32/97/37/387329737.db2.gz RRONOWMVPUMXDN-MXWKQRLJSA-N 1 3 247.333 0.913 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000390509211 387330387 /nfs/dbraw/zinc/33/03/87/387330387.db2.gz YSSRKLMYRRIFJL-BDAKNGLRSA-N 1 3 233.381 0.166 20 0 BCADHO CN(CCCO)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000372882048 387333238 /nfs/dbraw/zinc/33/32/38/387333238.db2.gz MCXUZNBYZXLKIH-ZDUSSCGKSA-N 1 3 244.379 0.538 20 0 BCADHO CN(CCCO)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000372882048 387333243 /nfs/dbraw/zinc/33/32/43/387333243.db2.gz MCXUZNBYZXLKIH-ZDUSSCGKSA-N 1 3 244.379 0.538 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000423488879 387334697 /nfs/dbraw/zinc/33/46/97/387334697.db2.gz ZJFQOXBVALFXOR-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000423491724 387335994 /nfs/dbraw/zinc/33/59/94/387335994.db2.gz ZQUIJEAQTKVJKX-GMTAPVOTSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2C[NH2+]CCCO2)[C@@H]1C ZINC000423496777 387338969 /nfs/dbraw/zinc/33/89/69/387338969.db2.gz XQHPCCNEDXZULA-KKOKHZNYSA-N 1 3 212.337 0.999 20 0 BCADHO NC1(C(=O)N2CCC[C@H](C[NH3+])C2)CCCC1 ZINC000237849951 387347196 /nfs/dbraw/zinc/34/71/96/387347196.db2.gz LGDWFTJVTATGHL-SNVBAGLBSA-N 1 3 225.336 0.455 20 0 BCADHO COCCN1CC[C@H](NC[C@H]2CCCC[NH2+]2)C1 ZINC000643501247 387353025 /nfs/dbraw/zinc/35/30/25/387353025.db2.gz AWHPBNBNMIKHKH-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO COCCN1CC[C@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501249 387353162 /nfs/dbraw/zinc/35/31/62/387353162.db2.gz AWHPBNBNMIKHKH-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781858 387424711 /nfs/dbraw/zinc/42/47/11/387424711.db2.gz YEXLPXRUSVYLCY-IJLUTSLNSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781858 387424715 /nfs/dbraw/zinc/42/47/15/387424715.db2.gz YEXLPXRUSVYLCY-IJLUTSLNSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781858 387424718 /nfs/dbraw/zinc/42/47/18/387424718.db2.gz YEXLPXRUSVYLCY-IJLUTSLNSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781860 387425365 /nfs/dbraw/zinc/42/53/65/387425365.db2.gz YEXLPXRUSVYLCY-SDDRHHMPSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781860 387425368 /nfs/dbraw/zinc/42/53/68/387425368.db2.gz YEXLPXRUSVYLCY-SDDRHHMPSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781860 387425370 /nfs/dbraw/zinc/42/53/70/387425370.db2.gz YEXLPXRUSVYLCY-SDDRHHMPSA-N 1 3 237.347 0.434 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000515843137 387432888 /nfs/dbraw/zinc/43/28/88/387432888.db2.gz RSNYMWONHIVBLJ-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CC1(C[NH3+])CC1 ZINC000423849483 387434052 /nfs/dbraw/zinc/43/40/52/387434052.db2.gz PCODPNASVAGVOA-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)CCN(C)C1CC1 ZINC000423838220 387435524 /nfs/dbraw/zinc/43/55/24/387435524.db2.gz BQYCUXYCZVAAOU-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000423849048 387435628 /nfs/dbraw/zinc/43/56/28/387435628.db2.gz PBEQJMFFVACTCY-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000374453184 387455241 /nfs/dbraw/zinc/45/52/41/387455241.db2.gz PEJRWKWHFGYPPU-RTXFEEFZSA-N 1 3 247.342 0.535 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423953213 387457224 /nfs/dbraw/zinc/45/72/24/387457224.db2.gz AXSUTXGEAXXRRB-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]1CN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@@H]1[NH3+] ZINC000423953954 387458340 /nfs/dbraw/zinc/45/83/40/387458340.db2.gz BOTMFMDABYTRBP-WYUUTHIRSA-N 1 3 239.363 0.665 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000423601944 387385572 /nfs/dbraw/zinc/38/55/72/387385572.db2.gz HBNRXJPHLVRECX-IJLUTSLNSA-N 1 3 241.379 0.973 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000423620293 387387348 /nfs/dbraw/zinc/38/73/48/387387348.db2.gz JHMVWJMCGASVHC-IJLUTSLNSA-N 1 3 241.379 0.973 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000423620291 387388052 /nfs/dbraw/zinc/38/80/52/387388052.db2.gz JHMVWJMCGASVHC-GRYCIOLGSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H]([NH3+])c1ccc(C(=O)NCCN(C)C)cc1 ZINC000423628826 387389370 /nfs/dbraw/zinc/38/93/70/387389370.db2.gz AYZFNNYYPWQDLM-JTQLQIEISA-N 1 3 235.331 0.998 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423640251 387392340 /nfs/dbraw/zinc/39/23/40/387392340.db2.gz GLMRBGOWCOBXRW-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423974748 387460156 /nfs/dbraw/zinc/46/01/56/387460156.db2.gz LDFILNOEFPLSRH-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336577428 387399735 /nfs/dbraw/zinc/39/97/35/387399735.db2.gz ZJOKDJDZAHWKMY-HTRCEHHLSA-N 1 3 239.241 0.073 20 0 BCADHO C[NH2+]CCCC(=O)N(CCOC)CCN(C)C ZINC000423746341 387406291 /nfs/dbraw/zinc/40/62/91/387406291.db2.gz QYARVGWXXBHQKF-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO COCCN(CCN(C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000423750630 387409711 /nfs/dbraw/zinc/40/97/11/387409711.db2.gz XWSMLRWXWXDIII-WDEREUQCSA-N 1 3 245.367 0.006 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)N ZINC000423752406 387409856 /nfs/dbraw/zinc/40/98/56/387409856.db2.gz APILGYWGGNMPBS-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)N ZINC000423752406 387409860 /nfs/dbraw/zinc/40/98/60/387409860.db2.gz APILGYWGGNMPBS-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)CN ZINC000423756698 387411569 /nfs/dbraw/zinc/41/15/69/387411569.db2.gz HLVRBHPOVIKQHY-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CN ZINC000423756698 387411572 /nfs/dbraw/zinc/41/15/72/387411572.db2.gz HLVRBHPOVIKQHY-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCN2CCC1CC2 ZINC000423760250 387413466 /nfs/dbraw/zinc/41/34/66/387413466.db2.gz PZCCNMLTIVKWGO-GFCCVEGCSA-N 1 3 239.363 0.524 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)N ZINC000423770424 387420376 /nfs/dbraw/zinc/42/03/76/387420376.db2.gz HMAFRWGNPNIHGI-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)N ZINC000423770424 387420380 /nfs/dbraw/zinc/42/03/80/387420380.db2.gz HMAFRWGNPNIHGI-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](CN)OC ZINC000423778048 387423154 /nfs/dbraw/zinc/42/31/54/387423154.db2.gz SLWOIRSXZQKXRJ-QWRGUYRKSA-N 1 3 245.367 0.197 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CN)OC ZINC000423778048 387423155 /nfs/dbraw/zinc/42/31/55/387423155.db2.gz SLWOIRSXZQKXRJ-QWRGUYRKSA-N 1 3 245.367 0.197 20 0 BCADHO CC(C)(N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375256911 387518090 /nfs/dbraw/zinc/51/80/90/387518090.db2.gz WDSPPDTUVHQYFM-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375244732 387518838 /nfs/dbraw/zinc/51/88/38/387518838.db2.gz IAHLMFZSVPIHMJ-CNDDSTCGSA-N 1 3 239.363 0.809 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423991804 387462709 /nfs/dbraw/zinc/46/27/09/387462709.db2.gz FKEWSDSBEPFHEM-RYUDHWBXSA-N 1 3 241.379 0.772 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981455 387462792 /nfs/dbraw/zinc/46/27/92/387462792.db2.gz XAIJRQSEYNFKMA-WYUUTHIRSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981452 387462832 /nfs/dbraw/zinc/46/28/32/387462832.db2.gz XAIJRQSEYNFKMA-USZNOCQGSA-N 1 3 239.363 0.807 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423997947 387464060 /nfs/dbraw/zinc/46/40/60/387464060.db2.gz MABJEPWHWUAXAH-VXGBXAGGSA-N 1 3 241.379 0.772 20 0 BCADHO C[NH2+]CCCN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000424016992 387465468 /nfs/dbraw/zinc/46/54/68/387465468.db2.gz FEANVCVALARCGE-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]CCCN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000424016991 387466323 /nfs/dbraw/zinc/46/63/23/387466323.db2.gz FEANVCVALARCGE-TXEJJXNPSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]CCCN(C)C(=O)CN(C)C(C)C ZINC000424022781 387468545 /nfs/dbraw/zinc/46/85/45/387468545.db2.gz UUUJUZMJBOYOKJ-UHFFFAOYSA-N 1 3 215.341 0.395 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424042247 387469175 /nfs/dbraw/zinc/46/91/75/387469175.db2.gz BENJZGIBOCBDJY-OUAUKWLOSA-N 1 3 227.352 0.761 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424046049 387470026 /nfs/dbraw/zinc/47/00/26/387470026.db2.gz PFZXBEVXLLRBQO-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424074065 387478537 /nfs/dbraw/zinc/47/85/37/387478537.db2.gz GOAVZZJXNFIBHG-UTLUCORTSA-N 1 3 213.325 0.165 20 0 BCADHO CC[C@H]1CN2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000375848635 387588017 /nfs/dbraw/zinc/58/80/17/387588017.db2.gz LFTMRJUSFLDXCP-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000238063539 387593278 /nfs/dbraw/zinc/59/32/78/387593278.db2.gz XYQHIHFTDKEOQI-WDEREUQCSA-N 1 3 225.336 0.326 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@H](N)C1CCC1 ZINC000422534825 387595359 /nfs/dbraw/zinc/59/53/59/387595359.db2.gz BRALFUZFAXZWQJ-SNVBAGLBSA-N 1 3 227.352 0.557 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000422545897 387596483 /nfs/dbraw/zinc/59/64/83/387596483.db2.gz XXYWJQWUVJCSLT-PSASIEDQSA-N 1 3 213.325 0.228 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)C1CCC1 ZINC000422544041 387597586 /nfs/dbraw/zinc/59/75/86/387597586.db2.gz TYVJNAUEXRUETN-SNVBAGLBSA-N 1 3 213.325 0.230 20 0 BCADHO CCCCN(C)CCN[C@@H](C)C1C[NH2+]C1 ZINC000422715602 387629032 /nfs/dbraw/zinc/62/90/32/387629032.db2.gz SQGYDTXLWLDOHB-NSHDSACASA-N 1 3 213.369 0.916 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@@H](N)C(C)(C)C ZINC000041679630 387606105 /nfs/dbraw/zinc/60/61/05/387606105.db2.gz IKVAGNPNOUPVCD-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000422614232 387606741 /nfs/dbraw/zinc/60/67/41/387606741.db2.gz YEZOJDCKNGPBPG-DCAQKATOSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000422614233 387607513 /nfs/dbraw/zinc/60/75/13/387607513.db2.gz YEZOJDCKNGPBPG-GARJFASQSA-N 1 3 242.367 0.458 20 0 BCADHO CC[NH2+]CCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422611782 387607562 /nfs/dbraw/zinc/60/75/62/387607562.db2.gz SUEGBMDYIAUBDX-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N(C)C ZINC000422712447 387625464 /nfs/dbraw/zinc/62/54/64/387625464.db2.gz OFNYVZCMVGCUSA-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1CCOCC1(C)C ZINC000422712284 387626245 /nfs/dbraw/zinc/62/62/45/387626245.db2.gz NUMWMEXKYOPOJN-VXGBXAGGSA-N 1 3 243.395 0.813 20 0 BCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000426347156 387559257 /nfs/dbraw/zinc/55/92/57/387559257.db2.gz RZTVJVGCYJJCAR-IRCOFANPSA-N 1 3 239.363 0.583 20 0 BCADHO NC[C@@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000430548956 387627525 /nfs/dbraw/zinc/62/75/25/387627525.db2.gz WWIZIASMEODSDU-LBPRGKRZSA-N 1 3 227.352 0.132 20 0 BCADHO NC[C@@H]1CCC[N@H+]1CCCN1CCOCC1 ZINC000430548956 387627526 /nfs/dbraw/zinc/62/75/26/387627526.db2.gz WWIZIASMEODSDU-LBPRGKRZSA-N 1 3 227.352 0.132 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1C)[C@@H](C)[NH3+] ZINC000399640657 387563947 /nfs/dbraw/zinc/56/39/47/387563947.db2.gz KCBGKNDBRBCNHM-UTUOFQBUSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H](C(=O)NCCN1CCCC1)[C@@H](C)[NH3+] ZINC000399694017 387566061 /nfs/dbraw/zinc/56/60/61/387566061.db2.gz YVCTXJWCOKQLDK-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[C@@H](C(=O)NCCN1CCCC1)[C@@H](C)[NH3+] ZINC000399694023 387566309 /nfs/dbraw/zinc/56/63/09/387566309.db2.gz YVCTXJWCOKQLDK-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042291 387569694 /nfs/dbraw/zinc/56/96/94/387569694.db2.gz PZZWQFRSXOVIAT-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)C1(N)CCCC1)C1CC1 ZINC000430690575 387640795 /nfs/dbraw/zinc/64/07/95/387640795.db2.gz IKHARPVHOACPQD-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@@H](C(=O)NCCC[NH2+]C)N(C)C ZINC000422733868 387641011 /nfs/dbraw/zinc/64/10/11/387641011.db2.gz RUFDKYPGQKAJSJ-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430723177 387644332 /nfs/dbraw/zinc/64/43/32/387644332.db2.gz OGJPAKHRWYYCSS-GHMZBOCLSA-N 1 3 241.379 0.864 20 0 BCADHO CN(C(=O)[C@]1(F)CC[NH2+]C1)C1CCN(C)CC1 ZINC000125276679 387647887 /nfs/dbraw/zinc/64/78/87/387647887.db2.gz BTTUEKIIXRTCBZ-LBPRGKRZSA-N 1 3 243.326 0.241 20 0 BCADHO COCCC[N@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000430811626 387654690 /nfs/dbraw/zinc/65/46/90/387654690.db2.gz QTCLOGKYBBXKNB-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO COCCC[N@@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000430811626 387654693 /nfs/dbraw/zinc/65/46/93/387654693.db2.gz QTCLOGKYBBXKNB-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430896936 387658490 /nfs/dbraw/zinc/65/84/90/387658490.db2.gz LRKJVBATWGHPFJ-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430889283 387659301 /nfs/dbraw/zinc/65/93/01/387659301.db2.gz KRAXNZAQDYHBOR-VXGBXAGGSA-N 1 3 239.363 0.809 20 0 BCADHO Cn1cc(CN2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000430944362 387664111 /nfs/dbraw/zinc/66/41/11/387664111.db2.gz SXYBDHMUFOLGMA-UHFFFAOYSA-N 1 3 235.335 0.391 20 0 BCADHO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@@H]1CCCCN1 ZINC000422765330 387664904 /nfs/dbraw/zinc/66/49/04/387664904.db2.gz OVSFSHHCVITDHH-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000431023853 387670270 /nfs/dbraw/zinc/67/02/70/387670270.db2.gz JHTUYAPGDSKJPT-DLOVCJGASA-N 1 3 237.347 0.337 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000422770420 387671462 /nfs/dbraw/zinc/67/14/62/387671462.db2.gz WPBPBZRWVQOUMI-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000431032258 387672127 /nfs/dbraw/zinc/67/21/27/387672127.db2.gz ILQMUVYMCQHWCY-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000431032258 387672132 /nfs/dbraw/zinc/67/21/32/387672132.db2.gz ILQMUVYMCQHWCY-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](C(=O)N1CCC[C@H]([NH2+]C)C1)N(C)C ZINC000422775040 387673196 /nfs/dbraw/zinc/67/31/96/387673196.db2.gz ZNIBPWOLNQFUSQ-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@H](C(=O)NCC[C@@H](C)[NH3+])N(C)C ZINC000422782866 387681905 /nfs/dbraw/zinc/68/19/05/387681905.db2.gz NOIHAIPSEOERHE-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CCCCNC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514424 387686135 /nfs/dbraw/zinc/68/61/35/387686135.db2.gz KGSRUQZYKROQGI-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000422744185 387688765 /nfs/dbraw/zinc/68/87/65/387688765.db2.gz SKSOKIUJVJNKSJ-WZRBSPASSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422744185 387688771 /nfs/dbraw/zinc/68/87/71/387688771.db2.gz SKSOKIUJVJNKSJ-WZRBSPASSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCN(C2CC2)C1 ZINC000422744183 387691378 /nfs/dbraw/zinc/69/13/78/387691378.db2.gz SKSOKIUJVJNKSJ-NTZNESFSSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422744183 387691383 /nfs/dbraw/zinc/69/13/83/387691383.db2.gz SKSOKIUJVJNKSJ-NTZNESFSSA-N 1 3 223.364 0.811 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000377739766 387747355 /nfs/dbraw/zinc/74/73/55/387747355.db2.gz BPQSCDIRBPWXKG-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000127021948 387704273 /nfs/dbraw/zinc/70/42/73/387704273.db2.gz HKVUWSRFEIZSCX-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO COC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127336048 387711557 /nfs/dbraw/zinc/71/15/57/387711557.db2.gz VQLCFBYGTNJVSP-IJLUTSLNSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127336048 387711560 /nfs/dbraw/zinc/71/15/60/387711560.db2.gz VQLCFBYGTNJVSP-IJLUTSLNSA-N 1 3 230.352 0.408 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]([NH3+])C(C)C ZINC000157024903 387712601 /nfs/dbraw/zinc/71/26/01/387712601.db2.gz SSBCDOYMZYQBLG-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000629613830 387713863 /nfs/dbraw/zinc/71/38/63/387713863.db2.gz UBBVGHIJGSEMAL-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])N(C)C ZINC000629614015 387714029 /nfs/dbraw/zinc/71/40/29/387714029.db2.gz VIRGNPIUAPLSMK-DJLDLDEBSA-N 1 3 201.314 0.179 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000422843123 387731131 /nfs/dbraw/zinc/73/11/31/387731131.db2.gz HCNMOAPVLULSNA-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000422848608 387734365 /nfs/dbraw/zinc/73/43/65/387734365.db2.gz AXYINMFMNVBZLU-OUAUKWLOSA-N 1 3 209.337 0.563 20 0 BCADHO CO[C@@H]1C[C@H](N[C@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854297 387738044 /nfs/dbraw/zinc/73/80/44/387738044.db2.gz UAPMQDTVCKMHNY-DVVUODLYSA-N 1 3 212.337 0.997 20 0 BCADHO CO[C@@H]1C[C@H]([NH2+][C@H](C)C2CNC2)C1(C)C ZINC000422854297 387738050 /nfs/dbraw/zinc/73/80/50/387738050.db2.gz UAPMQDTVCKMHNY-DVVUODLYSA-N 1 3 212.337 0.997 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)N(C)C ZINC000422856567 387740360 /nfs/dbraw/zinc/74/03/60/387740360.db2.gz WYIQCVIBHHYEOR-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000129145821 387763388 /nfs/dbraw/zinc/76/33/88/387763388.db2.gz HCXAGAROAJLFSV-RYUDHWBXSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000129145821 387763392 /nfs/dbraw/zinc/76/33/92/387763392.db2.gz HCXAGAROAJLFSV-RYUDHWBXSA-N 1 3 240.347 0.966 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000163561752 387764704 /nfs/dbraw/zinc/76/47/04/387764704.db2.gz LMBRUOJQCSWRNB-SECBINFHSA-N 1 3 247.408 0.523 20 0 BCADHO COc1ccc(C[C@@H](C)NC[C@@H](C)[NH3+])cn1 ZINC000643529562 387774434 /nfs/dbraw/zinc/77/44/34/387774434.db2.gz BCQVDDPRVCYTOF-NXEZZACHSA-N 1 3 223.320 0.958 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000422925214 387779822 /nfs/dbraw/zinc/77/98/22/387779822.db2.gz ZWQMWYRUUKJMJO-YBXAARCKSA-N 1 3 239.363 0.711 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000422982917 387793743 /nfs/dbraw/zinc/79/37/43/387793743.db2.gz YEFAKYWGYIPQPM-SRVKXCTJSA-N 1 3 230.352 0.504 20 0 BCADHO C[C@@H](N[C@@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992519 387799544 /nfs/dbraw/zinc/79/95/44/387799544.db2.gz CUVBFSVVSJPAQN-MWLCHTKSSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)C1CNC1 ZINC000422992519 387799546 /nfs/dbraw/zinc/79/95/46/387799546.db2.gz CUVBFSVVSJPAQN-MWLCHTKSSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442621119 387808036 /nfs/dbraw/zinc/80/80/36/387808036.db2.gz OUGNHDVBTWGPMP-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442613136 387808593 /nfs/dbraw/zinc/80/85/93/387808593.db2.gz AUVFBAKZIGLTLJ-UTUOFQBUSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](CCO)N[C@H]1C[NH2+]CC[C@H]1C ZINC000422974149 387824207 /nfs/dbraw/zinc/82/42/07/387824207.db2.gz DHSISHFMTAGSET-MXWKQRLJSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423007388 387828844 /nfs/dbraw/zinc/82/88/44/387828844.db2.gz QPFLKGQDLBDNEW-OUAUKWLOSA-N 1 3 200.326 0.593 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCC(C)(C)CCO ZINC000423008955 387830968 /nfs/dbraw/zinc/83/09/68/387830968.db2.gz UXDTYQQPPDBUAA-WDEREUQCSA-N 1 3 214.353 0.983 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000423008754 387831426 /nfs/dbraw/zinc/83/14/26/387831426.db2.gz UMZKTGMIJSGXFM-TUAOUCFPSA-N 1 3 244.404 0.962 20 0 BCADHO N[C@H]1CCC[C@H]1[NH2+]CCNc1ccccn1 ZINC000423010299 387833524 /nfs/dbraw/zinc/83/35/24/387833524.db2.gz XKHNECMVCMHBDO-WDEREUQCSA-N 1 3 220.320 0.963 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CN1C1CC1 ZINC000424158627 387836163 /nfs/dbraw/zinc/83/61/63/387836163.db2.gz UDEDJAXJICGKGW-MKHNBGRSSA-N 1 3 223.320 0.075 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCC(C)CC1 ZINC000424163094 387845503 /nfs/dbraw/zinc/84/55/03/387845503.db2.gz XIZYNBDGCQKHGR-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](NC[C@]1(O)CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033446 387848661 /nfs/dbraw/zinc/84/86/61/387848661.db2.gz GRQNZEXYXHDOEF-YNEHKIRRSA-N 1 3 241.379 0.173 20 0 BCADHO COC[C@@H](NC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000433007110 387848986 /nfs/dbraw/zinc/84/89/86/387848986.db2.gz UERBQPUEXUQILZ-CHWSQXEVSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H](NC[C@@]1(O)CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033439 387849000 /nfs/dbraw/zinc/84/90/00/387849000.db2.gz GRQNZEXYXHDOEF-AGIUHOORSA-N 1 3 241.379 0.173 20 0 BCADHO CC[C@@H](NC[C@]1(O)CCN(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423038155 387851772 /nfs/dbraw/zinc/85/17/72/387851772.db2.gz NUIGICMBSWROHH-FRRDWIJNSA-N 1 3 241.379 0.173 20 0 BCADHO CC(C)OC[C@@H](O)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193629327 387857727 /nfs/dbraw/zinc/85/77/27/387857727.db2.gz DNAIVNOCVWCRPN-XQQFMLRXSA-N 1 3 242.363 0.266 20 0 BCADHO CC(C)OC[C@@H](O)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193629327 387857731 /nfs/dbraw/zinc/85/77/31/387857731.db2.gz DNAIVNOCVWCRPN-XQQFMLRXSA-N 1 3 242.363 0.266 20 0 BCADHO CC[C@@H](CO)[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423058337 387865935 /nfs/dbraw/zinc/86/59/35/387865935.db2.gz JKQNAEWUIIHKES-DCAQKATOSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](CO)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423058337 387865937 /nfs/dbraw/zinc/86/59/37/387865937.db2.gz JKQNAEWUIIHKES-DCAQKATOSA-N 1 3 200.326 0.735 20 0 BCADHO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422964845 387814726 /nfs/dbraw/zinc/81/47/26/387814726.db2.gz JWRDJOIHXLSYDY-WDEREUQCSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537236 387875663 /nfs/dbraw/zinc/87/56/63/387875663.db2.gz BOHUJULCLFQLRP-BLFANLJRSA-N 1 3 241.354 0.759 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538882 387877606 /nfs/dbraw/zinc/87/76/06/387877606.db2.gz YTZPZLUHGZFJNE-NAKRPEOUSA-N 1 3 215.316 0.274 20 0 BCADHO CO[C@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643539131 387877625 /nfs/dbraw/zinc/87/76/25/387877625.db2.gz RUDLMTDLINQTHZ-LVEVGFFFSA-N 1 3 210.321 0.751 20 0 BCADHO CC(C)N(C)CC(=O)NC(C)(C)C[NH3+] ZINC000151857068 387879656 /nfs/dbraw/zinc/87/96/56/387879656.db2.gz ZOIYAKCIQIDSAR-UHFFFAOYSA-N 1 3 201.314 0.180 20 0 BCADHO N[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000424177585 387886807 /nfs/dbraw/zinc/88/68/07/387886807.db2.gz PWGKHFLLOQSRJP-BBBLOLIVSA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000236887948 387910602 /nfs/dbraw/zinc/91/06/02/387910602.db2.gz LFAJIWLXTMWGCI-SCZZXKLOSA-N 1 3 213.325 0.310 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000429391759 387915882 /nfs/dbraw/zinc/91/58/82/387915882.db2.gz BCENZLDKVQAILS-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC1(C)CN(C(=O)CCCC[NH3+])CCN1 ZINC000514672435 387921512 /nfs/dbraw/zinc/92/15/12/387921512.db2.gz QHJXLSZQJPAVHK-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000237137351 387921637 /nfs/dbraw/zinc/92/16/37/387921637.db2.gz LQLPHKHXMGKANV-DTWKUNHWSA-N 1 3 215.341 0.332 20 0 BCADHO CCN(CC)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424286597 387952546 /nfs/dbraw/zinc/95/25/46/387952546.db2.gz HKIRLRAFDRMZNG-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCN1C[C@H](N[C@H](C)C[C@@H](C)[NH3+])CC1=O ZINC000423158419 387939404 /nfs/dbraw/zinc/93/94/04/387939404.db2.gz WRUCLGACZUXLOB-OPRDCNLKSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCC1(CO)CC1 ZINC000423161127 387943025 /nfs/dbraw/zinc/94/30/25/387943025.db2.gz NJBQEDXICIGUPO-WDEREUQCSA-N 1 3 212.337 0.737 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCN1CC=CCC1 ZINC000392248844 387944668 /nfs/dbraw/zinc/94/46/68/387944668.db2.gz SRTXUGMFAJZVCL-OLZOCXBDSA-N 1 3 223.364 0.965 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392248844 387944670 /nfs/dbraw/zinc/94/46/70/387944670.db2.gz SRTXUGMFAJZVCL-OLZOCXBDSA-N 1 3 223.364 0.965 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCN1CC=CCC1 ZINC000392248845 387946196 /nfs/dbraw/zinc/94/61/96/387946196.db2.gz SRTXUGMFAJZVCL-QWHCGFSZSA-N 1 3 223.364 0.965 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392248845 387946199 /nfs/dbraw/zinc/94/61/99/387946199.db2.gz SRTXUGMFAJZVCL-QWHCGFSZSA-N 1 3 223.364 0.965 20 0 BCADHO C[NH2+]CCCC(=O)NCCNc1ccncc1 ZINC000645642110 387948192 /nfs/dbraw/zinc/94/81/92/387948192.db2.gz HIZLSMSLMVKARQ-UHFFFAOYSA-N 1 3 236.319 0.031 20 0 BCADHO CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424338101 387980403 /nfs/dbraw/zinc/98/04/03/387980403.db2.gz SYNAQLARYSTJAB-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC2(CN1Cc1cnnn1C)CC[NH2+]CC2 ZINC000424368493 387991992 /nfs/dbraw/zinc/99/19/92/387991992.db2.gz AAWMPJCURXPTSA-LLVKDONJSA-N 1 3 249.362 0.779 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CC1(N)CCCCCC1 ZINC000423200098 387985281 /nfs/dbraw/zinc/98/52/81/387985281.db2.gz LQWICXTUOAFVFP-SNVBAGLBSA-N 1 3 227.352 0.892 20 0 BCADHO C[NH2+]CCCN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423200327 387985834 /nfs/dbraw/zinc/98/58/34/387985834.db2.gz LVEBNANFCIWRAK-CMPLNLGQSA-N 1 3 211.353 0.668 20 0 BCADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)[C@@H]1C ZINC000423219965 388002241 /nfs/dbraw/zinc/00/22/41/388002241.db2.gz XDIDNJGTCLNWHS-RHYQMDGZSA-N 1 3 240.347 0.916 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424370986 387996337 /nfs/dbraw/zinc/99/63/37/387996337.db2.gz FLPMIKUPOMHMRF-KKOKHZNYSA-N 1 3 211.353 0.796 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257206 388019355 /nfs/dbraw/zinc/01/93/55/388019355.db2.gz CXGXMNBAPXYCGX-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257206 388019356 /nfs/dbraw/zinc/01/93/56/388019356.db2.gz CXGXMNBAPXYCGX-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CC(N)=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000423264009 388041597 /nfs/dbraw/zinc/04/15/97/388041597.db2.gz PLKBKJPOCPRKEL-MWLCHTKSSA-N 1 3 227.352 0.748 20 0 BCADHO COC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000156754236 388030670 /nfs/dbraw/zinc/03/06/70/388030670.db2.gz ZJOPYCOHLVZWSX-SNVBAGLBSA-N 1 3 216.325 0.855 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)N[C@H](C[NH3+])C1CC1 ZINC000423271438 388051421 /nfs/dbraw/zinc/05/14/21/388051421.db2.gz HLOKNFMDKCVZSA-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CN)C1 ZINC000083903353 388064544 /nfs/dbraw/zinc/06/45/44/388064544.db2.gz GVXKFRBUDKVILR-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)CN)C1 ZINC000083903353 388064546 /nfs/dbraw/zinc/06/45/46/388064546.db2.gz GVXKFRBUDKVILR-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)(N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889466 388065271 /nfs/dbraw/zinc/06/52/71/388065271.db2.gz IRBKSHOGODMEFC-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000447507666 388074152 /nfs/dbraw/zinc/07/41/52/388074152.db2.gz ILSLYOSNLJWUTC-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC(C)(C)N ZINC000423289780 388074487 /nfs/dbraw/zinc/07/44/87/388074487.db2.gz YFBVYGNVPCIYTN-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000447514877 388075833 /nfs/dbraw/zinc/07/58/33/388075833.db2.gz ILSLYOSNLJWUTC-IJLUTSLNSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)C1CCOCC1 ZINC000447602346 388081715 /nfs/dbraw/zinc/08/17/15/388081715.db2.gz UJRWDAUGPJVBOE-GFCCVEGCSA-N 1 3 244.379 0.969 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H]1CCN(CCOC)C1 ZINC000423267083 388045604 /nfs/dbraw/zinc/04/56/04/388045604.db2.gz DUETVWZLYXVYGM-RYUDHWBXSA-N 1 3 229.368 0.152 20 0 BCADHO C[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000455450741 388160598 /nfs/dbraw/zinc/16/05/98/388160598.db2.gz XRNBAXUIHJBJBK-UWVGGRQHSA-N 1 3 230.356 0.186 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN1CCCC1 ZINC000449312391 388171832 /nfs/dbraw/zinc/17/18/32/388171832.db2.gz QMESNZMBJALICH-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CCN1C ZINC000646077538 388138018 /nfs/dbraw/zinc/13/80/18/388138018.db2.gz UASMMDYZHVVVST-OUAUKWLOSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CCN1C ZINC000646077537 388138227 /nfs/dbraw/zinc/13/82/27/388138227.db2.gz UASMMDYZHVVVST-MXWKQRLJSA-N 1 3 239.363 0.583 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000449105802 388142805 /nfs/dbraw/zinc/14/28/05/388142805.db2.gz IWKBUSAVRLLYIB-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000449105800 388143018 /nfs/dbraw/zinc/14/30/18/388143018.db2.gz IWKBUSAVRLLYIB-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN(C(=O)[C@H](C)NC1CC1)[C@@H]1CC[NH2+]C1 ZINC000449105720 388143046 /nfs/dbraw/zinc/14/30/46/388143046.db2.gz FFEVMAFBZGNBGM-CMPLNLGQSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H](O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104701 388143369 /nfs/dbraw/zinc/14/33/69/388143369.db2.gz UHZVEOMBAJXYFM-GFCCVEGCSA-N 1 3 242.363 0.554 20 0 BCADHO COC(=O)COC[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000449106813 388144018 /nfs/dbraw/zinc/14/40/18/388144018.db2.gz JZWXDYDGGDPWSQ-GHMZBOCLSA-N 1 3 246.351 0.494 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000449117462 388144439 /nfs/dbraw/zinc/14/44/39/388144439.db2.gz UPHDAANRDIVGGQ-OPRDCNLKSA-N 1 3 225.336 0.336 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000449118015 388145263 /nfs/dbraw/zinc/14/52/63/388145263.db2.gz RASHUYKABHLRRE-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000449118679 388145606 /nfs/dbraw/zinc/14/56/06/388145606.db2.gz ZCIRDJVBDBJDNI-AXFHLTTASA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449125748 388146112 /nfs/dbraw/zinc/14/61/12/388146112.db2.gz TZWOAVUBLKBWIM-SKDRFNHKSA-N 1 3 227.352 0.617 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NC1CC1 ZINC000449145831 388148542 /nfs/dbraw/zinc/14/85/42/388148542.db2.gz MIOVLSGITQXQTN-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449680984 388251506 /nfs/dbraw/zinc/25/15/06/388251506.db2.gz DECQNTACBFYJRK-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C1(N)CCCCC1 ZINC000489462965 388216347 /nfs/dbraw/zinc/21/63/47/388216347.db2.gz GVULJJIYWMVEGR-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000489494614 388218520 /nfs/dbraw/zinc/21/85/20/388218520.db2.gz VMYPYLRDGVJMSS-VXGBXAGGSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000489541927 388220406 /nfs/dbraw/zinc/22/04/06/388220406.db2.gz CDTSNXIOCGSFLA-GHMZBOCLSA-N 1 3 229.368 0.802 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449582804 388238185 /nfs/dbraw/zinc/23/81/85/388238185.db2.gz ARMDPJZCVRIYIO-KZVJFYERSA-N 1 3 201.314 0.212 20 0 BCADHO COCCC[N@@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000164643195 388241971 /nfs/dbraw/zinc/24/19/71/388241971.db2.gz VRCWCNJNNQSDDA-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO COCCC[N@H+]1CC[C@@H](C)[C@@H](CN)C1 ZINC000164643195 388241972 /nfs/dbraw/zinc/24/19/72/388241972.db2.gz VRCWCNJNNQSDDA-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO COCCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164643195 388241973 /nfs/dbraw/zinc/24/19/73/388241973.db2.gz VRCWCNJNNQSDDA-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449610843 388242256 /nfs/dbraw/zinc/24/22/56/388242256.db2.gz SCBWNVKPLYNNNN-YUMQZZPRSA-N 1 3 237.294 0.459 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449640438 388247874 /nfs/dbraw/zinc/24/78/74/388247874.db2.gz BFEPTCZBFJZUFS-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)C/C=C/C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000491636828 388307279 /nfs/dbraw/zinc/30/72/79/388307279.db2.gz HWEIWKYPJBKFAG-WAFBPQNNSA-N 1 3 239.363 0.657 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491845205 388324672 /nfs/dbraw/zinc/32/46/72/388324672.db2.gz JSPNEYNCADRAJC-FOQNGQEVSA-N 1 3 239.363 0.657 20 0 BCADHO CN1CCC[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000491861920 388325093 /nfs/dbraw/zinc/32/50/93/388325093.db2.gz BFBHAHUJERGRDS-XOIDGJRKSA-N 1 3 225.336 0.315 20 0 BCADHO CCN(C)CCNC(=O)/C=C/C[NH+](C)C ZINC000491868744 388325610 /nfs/dbraw/zinc/32/56/10/388325610.db2.gz MNQWTMWZPAQMCE-VOTSOKGWSA-N 1 3 213.325 0.172 20 0 BCADHO CN(C)C/C=C\C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000491885185 388326194 /nfs/dbraw/zinc/32/61/94/388326194.db2.gz NRUZRYVIUKROFN-TXNVCOODSA-N 1 3 237.347 0.411 20 0 BCADHO CN(C)C/C=C\C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000491885185 388326195 /nfs/dbraw/zinc/32/61/95/388326195.db2.gz NRUZRYVIUKROFN-TXNVCOODSA-N 1 3 237.347 0.411 20 0 BCADHO CN(C)C/C=C\C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000491885184 388326262 /nfs/dbraw/zinc/32/62/62/388326262.db2.gz NRUZRYVIUKROFN-RNZFLTOJSA-N 1 3 237.347 0.411 20 0 BCADHO CN(C)C/C=C\C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000491885184 388326263 /nfs/dbraw/zinc/32/62/63/388326263.db2.gz NRUZRYVIUKROFN-RNZFLTOJSA-N 1 3 237.347 0.411 20 0 BCADHO CN(CCN1CCCC1)C(=O)/C=C\C[NH+](C)C ZINC000491910429 388327527 /nfs/dbraw/zinc/32/75/27/388327527.db2.gz YYWIGHXGSROOGJ-SREVYHEPSA-N 1 3 239.363 0.658 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953483 388269340 /nfs/dbraw/zinc/26/93/40/388269340.db2.gz VUUINCBMAJPNDP-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953483 388269343 /nfs/dbraw/zinc/26/93/43/388269343.db2.gz VUUINCBMAJPNDP-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO CC[NH+](CC)[C@H](C)CNC(=O)/C=C/CN(C)C ZINC000492004105 388331173 /nfs/dbraw/zinc/33/11/73/388331173.db2.gz SEUSCZRQNHVPPI-IDVQTMNDSA-N 1 3 241.379 0.951 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000646369506 388347013 /nfs/dbraw/zinc/34/70/13/388347013.db2.gz NBFBJNGIFJNKNP-GMTAPVOTSA-N 1 3 237.347 0.195 20 0 BCADHO CNCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385111 388348427 /nfs/dbraw/zinc/34/84/27/388348427.db2.gz XISMRJJOINDUHU-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)CCC[NH3+] ZINC000646427829 388357105 /nfs/dbraw/zinc/35/71/05/388357105.db2.gz UGDLJWDXSKJCRV-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000646484489 388366004 /nfs/dbraw/zinc/36/60/04/388366004.db2.gz QBHXXNOCJMNTEQ-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000236906599 388386239 /nfs/dbraw/zinc/38/62/39/388386239.db2.gz RUWMINDQTYSSCP-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000236906599 388386240 /nfs/dbraw/zinc/38/62/40/388386240.db2.gz RUWMINDQTYSSCP-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)Nc1cccc(CN)c1 ZINC000646578677 388387547 /nfs/dbraw/zinc/38/75/47/388387547.db2.gz ASVMFSVRWXFZDR-VIFPVBQESA-N 1 3 221.304 0.939 20 0 BCADHO C[NH2+]CCCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000237130958 388389742 /nfs/dbraw/zinc/38/97/42/388389742.db2.gz GYVOUPHTWVUCOQ-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]CCCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237130413 388390116 /nfs/dbraw/zinc/39/01/16/388390116.db2.gz GYVOUPHTWVUCOQ-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC000237287904 388392441 /nfs/dbraw/zinc/39/24/41/388392441.db2.gz XOOXYIOBOXZRLR-SNVBAGLBSA-N 1 3 215.341 0.298 20 0 BCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@H](C)[NH3+] ZINC000646600430 388393392 /nfs/dbraw/zinc/39/33/92/388393392.db2.gz LYIOQPQVCBJRQQ-WPRPVWTQSA-N 1 3 237.303 0.158 20 0 BCADHO C[C@@H](CNC(=O)CC[NH3+])N(C)Cc1ccccc1 ZINC000237537260 388395718 /nfs/dbraw/zinc/39/57/18/388395718.db2.gz SLVQHXDSVMZHBA-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000646634955 388398952 /nfs/dbraw/zinc/39/89/52/388398952.db2.gz OJICEZAKVYNKFJ-ZDUSSCGKSA-N 1 3 247.342 0.840 20 0 BCADHO CN(C)CCN(C)C(=O)/C=C\C[NH+](C)C ZINC000492059127 388333327 /nfs/dbraw/zinc/33/33/27/388333327.db2.gz QZDTXAIPTFGEOE-SREVYHEPSA-N 1 3 213.325 0.124 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)/C=C\C[NH+](C)C ZINC000492110589 388335433 /nfs/dbraw/zinc/33/54/33/388335433.db2.gz PIMWWJTVQRIWIR-VFFGBVLKSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)/C=C\C[NH+](C)C ZINC000492110592 388335497 /nfs/dbraw/zinc/33/54/97/388335497.db2.gz PIMWWJTVQRIWIR-XYLWRLHESA-N 1 3 239.363 0.657 20 0 BCADHO N[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730888 388441297 /nfs/dbraw/zinc/44/12/97/388441297.db2.gz IHUBXXVCBLQMSD-CMPLNLGQSA-N 1 3 239.363 0.620 20 0 BCADHO CC[C@@](C)(CNC[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000322837664 388448535 /nfs/dbraw/zinc/44/85/35/388448535.db2.gz DXAFSOYUMXZNDN-OLZOCXBDSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@@](C)(CNC[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837664 388448537 /nfs/dbraw/zinc/44/85/37/388448537.db2.gz DXAFSOYUMXZNDN-OLZOCXBDSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@](C)(CNC[C@H](O)C[N@H+](C)C1CC1)OC ZINC000322837665 388448781 /nfs/dbraw/zinc/44/87/81/388448781.db2.gz DXAFSOYUMXZNDN-QWHCGFSZSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@](C)(CNC[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837665 388448783 /nfs/dbraw/zinc/44/87/83/388448783.db2.gz DXAFSOYUMXZNDN-QWHCGFSZSA-N 1 3 244.379 0.846 20 0 BCADHO Cn1nccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000335447228 388450691 /nfs/dbraw/zinc/45/06/91/388450691.db2.gz ASCCFFSBBHKIQB-TXEJJXNPSA-N 1 3 234.347 0.852 20 0 BCADHO C[C@H](C(=O)NC[C@H](C)[NH3+])N1CCCCCC1 ZINC000194887556 388454638 /nfs/dbraw/zinc/45/46/38/388454638.db2.gz MEHFBEFVWYYYKP-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[N@@H+]1CC[C@@H](NC[C@@H](O)COC)[C@H](C)C1 ZINC000309646015 388459988 /nfs/dbraw/zinc/45/99/88/388459988.db2.gz MFRHOGXEXLBVKN-IJLUTSLNSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@@H](NC[C@@H](O)COC)[C@H](C)C1 ZINC000309646015 388459989 /nfs/dbraw/zinc/45/99/89/388459989.db2.gz MFRHOGXEXLBVKN-IJLUTSLNSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@H](O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336659942 388460607 /nfs/dbraw/zinc/46/06/07/388460607.db2.gz BRCROGVSYSKJCR-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@H](O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336659942 388460609 /nfs/dbraw/zinc/46/06/09/388460609.db2.gz BRCROGVSYSKJCR-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309811210 388465940 /nfs/dbraw/zinc/46/59/40/388465940.db2.gz UEROUTJWKLFEEV-KXUCPTDWSA-N 1 3 213.325 0.500 20 0 BCADHO CC[C@H](C(=O)NCC[NH2+]C1CC1)N(CC)CC ZINC000649270737 388481835 /nfs/dbraw/zinc/48/18/35/388481835.db2.gz LCMMQEWWBSZZRY-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)C1(N)CCC1 ZINC000646690380 388418112 /nfs/dbraw/zinc/41/81/12/388418112.db2.gz CFOLWOUVQKMMDR-UHFFFAOYSA-N 1 3 213.325 0.372 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@@H](N)c1ccccc1 ZINC000646696960 388419414 /nfs/dbraw/zinc/41/94/14/388419414.db2.gz DIIJORWHPYAESR-VXGBXAGGSA-N 1 3 247.342 0.801 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000646713446 388426876 /nfs/dbraw/zinc/42/68/76/388426876.db2.gz LQNZOOKCBNHBAS-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCNC2=O)C1 ZINC000573164747 388427377 /nfs/dbraw/zinc/42/73/77/388427377.db2.gz XBQXINRRESWEGQ-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220606 388434132 /nfs/dbraw/zinc/43/41/32/388434132.db2.gz HACRXBOHSUZUSF-GHMZBOCLSA-N 1 3 223.320 0.030 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220606 388434133 /nfs/dbraw/zinc/43/41/33/388434133.db2.gz HACRXBOHSUZUSF-GHMZBOCLSA-N 1 3 223.320 0.030 20 0 BCADHO CNC[C@](C)(O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000517159462 388539368 /nfs/dbraw/zinc/53/93/68/388539368.db2.gz ROBTUSQIKMGOIE-SRVKXCTJSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000517235130 388544458 /nfs/dbraw/zinc/54/44/58/388544458.db2.gz GZOVZIGEFVZLDN-AAEUAGOBSA-N 1 3 249.358 0.800 20 0 BCADHO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000517246426 388545828 /nfs/dbraw/zinc/54/58/28/388545828.db2.gz VUFJITSQAUBIQQ-OUAUKWLOSA-N 1 3 225.336 0.147 20 0 BCADHO C[NH2+][C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000517246424 388546202 /nfs/dbraw/zinc/54/62/02/388546202.db2.gz VUFJITSQAUBIQQ-GMTAPVOTSA-N 1 3 225.336 0.147 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000649273239 388483254 /nfs/dbraw/zinc/48/32/54/388483254.db2.gz ZMNXGIVKIPVSDY-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000646769961 388493493 /nfs/dbraw/zinc/49/34/93/388493493.db2.gz NPZXQJNSESOAOR-OUAUKWLOSA-N 1 3 239.363 0.713 20 0 BCADHO NC1(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000516563069 256792446 /nfs/dbraw/zinc/79/24/46/256792446.db2.gz QYWQKJHATOOQDX-SECBINFHSA-N 1 3 211.309 0.111 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@H]1CNCc2ccccc21 ZINC000646782113 388501768 /nfs/dbraw/zinc/50/17/68/388501768.db2.gz GFKBLVNIHLDFCP-ZDUSSCGKSA-N 1 3 247.342 0.681 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649279139 388506162 /nfs/dbraw/zinc/50/61/62/388506162.db2.gz YZMFXMUQUQHAAN-GDNZZTSVSA-N 1 3 237.347 0.052 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000516866310 388521136 /nfs/dbraw/zinc/52/11/36/388521136.db2.gz MYVGWXVOCDJXFC-HBNTYKKESA-N 1 3 237.347 0.454 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@H](CO)C(C)(C)C)C1CC1 ZINC000351598606 388533193 /nfs/dbraw/zinc/53/31/93/388533193.db2.gz WDTUJQVXJWJEJA-NWDGAFQWSA-N 1 3 244.379 0.438 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@H](CO)C(C)(C)C)C1CC1 ZINC000351598606 388533195 /nfs/dbraw/zinc/53/31/95/388533195.db2.gz WDTUJQVXJWJEJA-NWDGAFQWSA-N 1 3 244.379 0.438 20 0 BCADHO C[NH+](C)CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000082796478 388587696 /nfs/dbraw/zinc/58/76/96/388587696.db2.gz VJFPSVWJYJFQHI-CYBMUJFWSA-N 1 3 247.342 0.551 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608869 388593969 /nfs/dbraw/zinc/59/39/69/388593969.db2.gz UFJRPAWHTQKHSN-RWMBFGLXSA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C[C@H](O)COC)[C@@H](C)C1 ZINC000245608869 388593971 /nfs/dbraw/zinc/59/39/71/388593971.db2.gz UFJRPAWHTQKHSN-RWMBFGLXSA-N 1 3 244.379 0.656 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649310973 388596186 /nfs/dbraw/zinc/59/61/86/388596186.db2.gz RJRBPTJTUCUWIA-KKOKHZNYSA-N 1 3 237.347 0.195 20 0 BCADHO CCCCN(C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649312797 388600771 /nfs/dbraw/zinc/60/07/71/388600771.db2.gz WXMVCKHTZHCXFS-PHIMTYICSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000517565100 388552916 /nfs/dbraw/zinc/55/29/16/388552916.db2.gz PYXJDXGRPQUPMQ-JQWIXIFHSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000521041789 388560729 /nfs/dbraw/zinc/56/07/29/388560729.db2.gz ZKGOJWLIGULDMW-FXPVBKGRSA-N 1 3 225.336 0.384 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084420074 135249436 /nfs/dbraw/zinc/24/94/36/135249436.db2.gz GCLNTOFOMUFBRA-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646856979 388626237 /nfs/dbraw/zinc/62/62/37/388626237.db2.gz UROTXZJKQYRCSC-NHCYSSNCSA-N 1 3 243.351 0.079 20 0 BCADHO COc1ccc(CC[NH2+]C2CCNCC2)cn1 ZINC000530222502 388633096 /nfs/dbraw/zinc/63/30/96/388633096.db2.gz QXPSLWUOWBFKRS-UHFFFAOYSA-N 1 3 235.331 0.974 20 0 BCADHO COc1ccc(CCNC2CC[NH2+]CC2)cn1 ZINC000530222502 388633097 /nfs/dbraw/zinc/63/30/97/388633097.db2.gz QXPSLWUOWBFKRS-UHFFFAOYSA-N 1 3 235.331 0.974 20 0 BCADHO C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C1C[NH2+]C1 ZINC000530224353 388633910 /nfs/dbraw/zinc/63/39/10/388633910.db2.gz LPYFWEXHHFPABL-CUAHWVMCSA-N 1 3 212.337 0.996 20 0 BCADHO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C1CNC1 ZINC000530224353 388633913 /nfs/dbraw/zinc/63/39/13/388633913.db2.gz LPYFWEXHHFPABL-CUAHWVMCSA-N 1 3 212.337 0.996 20 0 BCADHO CC1(N2CCOCC2)CCN(CC[NH3+])CC1 ZINC000530231247 388636752 /nfs/dbraw/zinc/63/67/52/388636752.db2.gz HDNSKIFKZICFKR-UHFFFAOYSA-N 1 3 227.352 0.132 20 0 BCADHO CCOC[C@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530232435 388637045 /nfs/dbraw/zinc/63/70/45/388637045.db2.gz PCVDVVYVKVFQKK-CHWSQXEVSA-N 1 3 242.363 0.723 20 0 BCADHO CCCNC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222562578 388640843 /nfs/dbraw/zinc/64/08/43/388640843.db2.gz MKWXLKUBUAGUDO-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000222562578 388640845 /nfs/dbraw/zinc/64/08/45/388640845.db2.gz MKWXLKUBUAGUDO-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH+](C)C[C@@H](O)CN[C@H]1CCOC1(C)C ZINC000328394932 388643104 /nfs/dbraw/zinc/64/31/04/388643104.db2.gz PXNGMWPWRHCJOD-UWVGGRQHSA-N 1 3 216.325 0.066 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643463 388645631 /nfs/dbraw/zinc/64/56/31/388645631.db2.gz XNDBNJDIBYVZHK-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643463 388645634 /nfs/dbraw/zinc/64/56/34/388645634.db2.gz XNDBNJDIBYVZHK-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H](C)N1 ZINC000620897926 388652521 /nfs/dbraw/zinc/65/25/21/388652521.db2.gz GUHBFPYCHIFDKM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H](C)N1 ZINC000620897926 388652523 /nfs/dbraw/zinc/65/25/23/388652523.db2.gz GUHBFPYCHIFDKM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO COC[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000250810889 388740726 /nfs/dbraw/zinc/74/07/26/388740726.db2.gz ULDUAJMHCCCXMW-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128299422 388745013 /nfs/dbraw/zinc/74/50/13/388745013.db2.gz HHRVXZNVTQOLSG-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@H+]1C ZINC000128299422 388745016 /nfs/dbraw/zinc/74/50/16/388745016.db2.gz HHRVXZNVTQOLSG-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226439044 388719801 /nfs/dbraw/zinc/71/98/01/388719801.db2.gz WENUDZNARJNPJO-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226439044 388719804 /nfs/dbraw/zinc/71/98/04/388719804.db2.gz WENUDZNARJNPJO-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CN(C[C@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226439044 388719806 /nfs/dbraw/zinc/71/98/06/388719806.db2.gz WENUDZNARJNPJO-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000229963143 388806349 /nfs/dbraw/zinc/80/63/49/388806349.db2.gz PMLPREZNXTZJHF-OUAUKWLOSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000229973456 388808654 /nfs/dbraw/zinc/80/86/54/388808654.db2.gz VGRUQWMWBUBAKY-GMTAPVOTSA-N 1 3 200.326 0.720 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129665273 388862963 /nfs/dbraw/zinc/86/29/63/388862963.db2.gz JPVPTDULKZAAKY-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129665273 388862966 /nfs/dbraw/zinc/86/29/66/388862966.db2.gz JPVPTDULKZAAKY-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CN(C(=O)C1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000564941273 388899529 /nfs/dbraw/zinc/89/95/29/388899529.db2.gz LRIZZVBIEOEKFB-NSHDSACASA-N 1 3 225.336 0.149 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](N)CC ZINC000564940914 388899937 /nfs/dbraw/zinc/89/99/37/388899937.db2.gz UZAMCONVDOIEKQ-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](N)CC ZINC000564940914 388899942 /nfs/dbraw/zinc/89/99/42/388899942.db2.gz UZAMCONVDOIEKQ-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@H](N)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564449632 388875566 /nfs/dbraw/zinc/87/55/66/388875566.db2.gz GYVUXRWIWUVIBV-JTQLQIEISA-N 1 3 236.319 0.025 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000564567145 388879199 /nfs/dbraw/zinc/87/91/99/388879199.db2.gz LQUPHQPCZVVPIZ-YWVKMMECSA-N 1 3 225.336 0.241 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000564992461 388906936 /nfs/dbraw/zinc/90/69/36/388906936.db2.gz LYXCZQOKCDDFIN-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000565302518 388935918 /nfs/dbraw/zinc/93/59/18/388935918.db2.gz KCWZGNAZNGLOBD-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000163126035 388920672 /nfs/dbraw/zinc/92/06/72/388920672.db2.gz LFUYLIJVKBITGJ-WDEREUQCSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000163126035 388920673 /nfs/dbraw/zinc/92/06/73/388920673.db2.gz LFUYLIJVKBITGJ-WDEREUQCSA-N 1 3 227.352 0.761 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000565212841 388927220 /nfs/dbraw/zinc/92/72/20/388927220.db2.gz JMAOTYHMUCUKDL-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO NCCC[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000565234440 388929382 /nfs/dbraw/zinc/92/93/82/388929382.db2.gz UCTURGFBKZLFGA-RYUDHWBXSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1CCN(C(=O)CNC2CC2)C[C@@H]1C[NH3+] ZINC000565410930 388941374 /nfs/dbraw/zinc/94/13/74/388941374.db2.gz BOEOQIMTZAFCIO-UWVGGRQHSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COCC)C1 ZINC000565416615 388943027 /nfs/dbraw/zinc/94/30/27/388943027.db2.gz FKLPHISZRFHDKZ-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COCC)C1 ZINC000565416615 388943035 /nfs/dbraw/zinc/94/30/35/388943035.db2.gz FKLPHISZRFHDKZ-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COCC)C1 ZINC000565416615 388943031 /nfs/dbraw/zinc/94/30/31/388943031.db2.gz FKLPHISZRFHDKZ-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000565477415 388946962 /nfs/dbraw/zinc/94/69/62/388946962.db2.gz FIYSOIYFVVDKHB-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCCCN(C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000565477412 388947659 /nfs/dbraw/zinc/94/76/59/388947659.db2.gz FIYSOIYFVVDKHB-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335430622 133844232 /nfs/dbraw/zinc/84/42/32/133844232.db2.gz SKFAHXYKUKJJMS-CABZTGNLSA-N 1 3 233.315 0.418 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000336219400 134138249 /nfs/dbraw/zinc/13/82/49/134138249.db2.gz NQKONGSKPOEBLJ-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167776253 134154149 /nfs/dbraw/zinc/15/41/49/134154149.db2.gz BCEKZYUZCSYOOZ-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO COC(=O)CCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000168557823 134226392 /nfs/dbraw/zinc/22/63/92/134226392.db2.gz PHDPTLVYRZWAPU-VHSXEESVSA-N 1 3 214.309 0.609 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178519419 134308043 /nfs/dbraw/zinc/30/80/43/134308043.db2.gz KEIQGUSADSBPKE-SNVBAGLBSA-N 1 3 213.325 0.134 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000178408630 134309934 /nfs/dbraw/zinc/30/99/34/134309934.db2.gz BFNGDJMMEZNFHK-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000178406969 134310265 /nfs/dbraw/zinc/31/02/65/134310265.db2.gz MUCAYRYJAHVLEL-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220947457 134315393 /nfs/dbraw/zinc/31/53/93/134315393.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220947457 134315394 /nfs/dbraw/zinc/31/53/94/134315394.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220947457 134315395 /nfs/dbraw/zinc/31/53/95/134315395.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220947457 134315396 /nfs/dbraw/zinc/31/53/96/134315396.db2.gz ARZUJHBUGDKXMT-RWMBFGLXSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000223956095 134343737 /nfs/dbraw/zinc/34/37/37/134343737.db2.gz NXTQIZIAUYVSGG-SDDRHHMPSA-N 1 3 230.352 0.314 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000223956095 134343738 /nfs/dbraw/zinc/34/37/38/134343738.db2.gz NXTQIZIAUYVSGG-SDDRHHMPSA-N 1 3 230.352 0.314 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN1C ZINC000226394010 134365104 /nfs/dbraw/zinc/36/51/04/134365104.db2.gz JWGDVBQMOXBLPV-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185204428 134375097 /nfs/dbraw/zinc/37/50/97/134375097.db2.gz WIUINXFEVXUODW-VLEAKVRGSA-N 1 3 225.336 0.310 20 0 BCADHO CO[C@H](CN)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000227374685 134379027 /nfs/dbraw/zinc/37/90/27/134379027.db2.gz RJISTIIZCYCJKA-GHMZBOCLSA-N 1 3 245.367 0.053 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](C)N ZINC000230711033 134533920 /nfs/dbraw/zinc/53/39/20/134533920.db2.gz NNNBJIHRVMTENH-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000248589837 135016184 /nfs/dbraw/zinc/01/61/84/135016184.db2.gz YZAFMBYKOWIVKU-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](CO)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251072335 135062031 /nfs/dbraw/zinc/06/20/31/135062031.db2.gz FSORNWBJNQZQAA-SRVKXCTJSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](CO)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251072335 135062032 /nfs/dbraw/zinc/06/20/32/135062032.db2.gz FSORNWBJNQZQAA-SRVKXCTJSA-N 1 3 212.337 0.831 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000251094509 135064466 /nfs/dbraw/zinc/06/44/66/135064466.db2.gz KZNHLONFFBSLGS-OUAUKWLOSA-N 1 3 200.326 0.986 20 0 BCADHO COC1CCN(CCOCC[NH3+])CC1 ZINC000086435388 135084567 /nfs/dbraw/zinc/08/45/67/135084567.db2.gz ZHWYPYYLOZPZSS-UHFFFAOYSA-N 1 3 202.298 0.073 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000252177694 135085491 /nfs/dbraw/zinc/08/54/91/135085491.db2.gz SIHOOBDCXLALAL-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC(=O)NC1 ZINC000252447640 135089377 /nfs/dbraw/zinc/08/93/77/135089377.db2.gz NCIBPKFXBZASDC-WYUUTHIRSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC(=O)NC1 ZINC000252447640 135089379 /nfs/dbraw/zinc/08/93/79/135089379.db2.gz NCIBPKFXBZASDC-WYUUTHIRSA-N 1 3 239.363 0.583 20 0 BCADHO CN(C[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000086637604 135091456 /nfs/dbraw/zinc/09/14/56/135091456.db2.gz LZEZANKEDGITEL-SNVBAGLBSA-N 1 3 200.326 0.940 20 0 BCADHO CN1CCC(C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000257709706 135100794 /nfs/dbraw/zinc/10/07/94/135100794.db2.gz QKIWOISDTKVDIK-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)C ZINC000252714824 135101558 /nfs/dbraw/zinc/10/15/58/135101558.db2.gz TUTPJNIVOOPGBE-IJLUTSLNSA-N 1 3 213.369 0.866 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000087122838 135107038 /nfs/dbraw/zinc/10/70/38/135107038.db2.gz OKPHKCMGMURQFE-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000252882730 135115284 /nfs/dbraw/zinc/11/52/84/135115284.db2.gz ZRTNETCKATYCIT-CIUDSAMLSA-N 1 3 201.314 0.036 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000252961119 135117329 /nfs/dbraw/zinc/11/73/29/135117329.db2.gz NYWPMZZRILMBFW-AGIUHOORSA-N 1 3 243.395 0.683 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000262497980 135118930 /nfs/dbraw/zinc/11/89/30/135118930.db2.gz XDJGSZDCKNYHBO-YPMHNXCESA-N 1 3 249.358 0.671 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000262585308 135119759 /nfs/dbraw/zinc/11/97/59/135119759.db2.gz UNAUWSQHETZEQT-NEPJUHHUSA-N 1 3 241.379 0.641 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C[C@H]1CN ZINC000253192684 135123774 /nfs/dbraw/zinc/12/37/74/135123774.db2.gz NNJDPDCFIGBVHE-GRYCIOLGSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C[C@H]1CN ZINC000253192684 135123775 /nfs/dbraw/zinc/12/37/75/135123775.db2.gz NNJDPDCFIGBVHE-GRYCIOLGSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C[C@@H]1CN ZINC000253192686 135123853 /nfs/dbraw/zinc/12/38/53/135123853.db2.gz NNJDPDCFIGBVHE-UTUOFQBUSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C[C@@H]1CN ZINC000253192686 135123854 /nfs/dbraw/zinc/12/38/54/135123854.db2.gz NNJDPDCFIGBVHE-UTUOFQBUSA-N 1 3 212.337 0.940 20 0 BCADHO COc1ccc(CC[N@H+](C)C[C@@H](O)CN)cc1 ZINC000259170826 135137684 /nfs/dbraw/zinc/13/76/84/135137684.db2.gz VUJRGIAWKFUUJK-LBPRGKRZSA-N 1 3 238.331 0.489 20 0 BCADHO COc1ccc(CC[N@@H+](C)C[C@@H](O)CN)cc1 ZINC000259170826 135137685 /nfs/dbraw/zinc/13/76/85/135137685.db2.gz VUJRGIAWKFUUJK-LBPRGKRZSA-N 1 3 238.331 0.489 20 0 BCADHO C[C@H]1C(=O)NCCCN1CC1CC[NH2+]CC1 ZINC000257784902 135141965 /nfs/dbraw/zinc/14/19/65/135141965.db2.gz LHIIHNZMRSXOFE-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO COC(=O)[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000260219629 135147760 /nfs/dbraw/zinc/14/77/60/135147760.db2.gz VZGYLIOQWPEORO-RYUDHWBXSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000260219629 135147762 /nfs/dbraw/zinc/14/77/62/135147762.db2.gz VZGYLIOQWPEORO-RYUDHWBXSA-N 1 3 240.347 0.966 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000261530626 135157860 /nfs/dbraw/zinc/15/78/60/135157860.db2.gz CVNYTZOBEZKMQO-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H]1CN(CC2CC[NH2+]CC2)C[C@H](CO)O1 ZINC000261533703 135166171 /nfs/dbraw/zinc/16/61/71/135166171.db2.gz KOTFVZWGFHQFIP-CMPLNLGQSA-N 1 3 228.336 0.068 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC(C)(C)[NH3+] ZINC000261536699 135172315 /nfs/dbraw/zinc/17/23/15/135172315.db2.gz SNPIYIJWDRLIAG-SNVBAGLBSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000261536828 135173172 /nfs/dbraw/zinc/17/31/72/135173172.db2.gz TWKJCGDIAOIBMA-LPEHRKFASA-N 1 3 213.325 0.180 20 0 BCADHO C[N@H+](C[C@@H]1CCOC1)C[C@H]1CCCNC1 ZINC000261537701 135174249 /nfs/dbraw/zinc/17/42/49/135174249.db2.gz WENUDZNARJNPJO-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[N@@H+](C[C@@H]1CCOC1)C[C@H]1CCCNC1 ZINC000261537701 135174250 /nfs/dbraw/zinc/17/42/50/135174250.db2.gz WENUDZNARJNPJO-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CN(C[C@@H]1CCOC1)C[C@H]1CCC[NH2+]C1 ZINC000261537701 135174251 /nfs/dbraw/zinc/17/42/51/135174251.db2.gz WENUDZNARJNPJO-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261539074 135177262 /nfs/dbraw/zinc/17/72/62/135177262.db2.gz BMFLYMBNADSPFX-QEYWKRMJSA-N 1 3 213.325 0.179 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C ZINC000261542935 135182981 /nfs/dbraw/zinc/18/29/81/135182981.db2.gz HGSMODCCPVYXEW-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000261554128 135194067 /nfs/dbraw/zinc/19/40/67/135194067.db2.gz TXOYSJKTKQZRAT-MWLCHTKSSA-N 1 3 215.341 0.618 20 0 BCADHO C[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000261555145 135195056 /nfs/dbraw/zinc/19/50/56/135195056.db2.gz UTROXKLHGVALHZ-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO O[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557285 135197644 /nfs/dbraw/zinc/19/76/44/135197644.db2.gz XEIDBYMALKXECZ-MNOVXSKESA-N 1 3 210.321 0.443 20 0 BCADHO O[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557289 135197796 /nfs/dbraw/zinc/19/77/96/135197796.db2.gz XEIDBYMALKXECZ-WDEREUQCSA-N 1 3 210.321 0.443 20 0 BCADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H]1CCCNC1 ZINC000261561095 135201746 /nfs/dbraw/zinc/20/17/46/135201746.db2.gz VBWSJBQKMXMJOC-QQOHENMQSA-N 1 3 236.359 0.687 20 0 BCADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@@H]1CCCNC1 ZINC000261561095 135201748 /nfs/dbraw/zinc/20/17/48/135201748.db2.gz VBWSJBQKMXMJOC-QQOHENMQSA-N 1 3 236.359 0.687 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cncn3)C[C@@H]21 ZINC000261562890 135204022 /nfs/dbraw/zinc/20/40/22/135204022.db2.gz WQPNTQAQJBQSGB-SDDRHHMPSA-N 1 3 235.335 0.337 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC000261562887 135204406 /nfs/dbraw/zinc/20/44/06/135204406.db2.gz WQPNTQAQJBQSGB-QJPTWQEYSA-N 1 3 235.335 0.337 20 0 BCADHO COC(=O)[C@@]1(C)CC[N@H+](CC(C)(C)N)C1 ZINC000261572845 135215131 /nfs/dbraw/zinc/21/51/31/135215131.db2.gz IKDNKKKHSBVPRJ-NSHDSACASA-N 1 3 214.309 0.609 20 0 BCADHO COC(=O)[C@@]1(C)CC[N@@H+](CC(C)(C)N)C1 ZINC000261572845 135215133 /nfs/dbraw/zinc/21/51/33/135215133.db2.gz IKDNKKKHSBVPRJ-NSHDSACASA-N 1 3 214.309 0.609 20 0 BCADHO [NH3+]CCN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000261575489 135216881 /nfs/dbraw/zinc/21/68/81/135216881.db2.gz JUQDZWCOIIMLGX-WCQYABFASA-N 1 3 223.364 0.894 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCNC(C)(C)C1 ZINC000261579919 135221025 /nfs/dbraw/zinc/22/10/25/135221025.db2.gz MPAZFMQXVMWHHX-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCNC(C)(C)C1 ZINC000261579919 135221026 /nfs/dbraw/zinc/22/10/26/135221026.db2.gz MPAZFMQXVMWHHX-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(N)CCCC1 ZINC000261585772 135226764 /nfs/dbraw/zinc/22/67/64/135226764.db2.gz QPMRZWAYMBQAPF-IUCAKERBSA-N 1 3 211.309 0.206 20 0 BCADHO C(C1CCC1)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000261594284 135234599 /nfs/dbraw/zinc/23/45/99/135234599.db2.gz XKYULKBNKMTQNW-ZDUSSCGKSA-N 1 3 223.364 0.766 20 0 BCADHO C(C1CCC1)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000261594284 135234601 /nfs/dbraw/zinc/23/46/01/135234601.db2.gz XKYULKBNKMTQNW-ZDUSSCGKSA-N 1 3 223.364 0.766 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261599694 135237477 /nfs/dbraw/zinc/23/74/77/135237477.db2.gz ZXJLYMBMBJMMDR-VHSXEESVSA-N 1 3 213.325 0.213 20 0 BCADHO CCC[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000261599130 135237817 /nfs/dbraw/zinc/23/78/17/135237817.db2.gz ATUNUFHETYLTRZ-TXEJJXNPSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261763306 135250687 /nfs/dbraw/zinc/25/06/87/135250687.db2.gz RJWZCSDWSCFEJG-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)[NH3+] ZINC000261782403 135252216 /nfs/dbraw/zinc/25/22/16/135252216.db2.gz JQIOJXDBYKOFOP-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000261881394 135259635 /nfs/dbraw/zinc/25/96/35/135259635.db2.gz RWWQFWBVPAXHOQ-MWLCHTKSSA-N 1 3 245.392 0.277 20 0 BCADHO NC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886849 135259993 /nfs/dbraw/zinc/25/99/93/135259993.db2.gz BJLNRJRLPLFFCC-OLZOCXBDSA-N 1 3 247.342 0.582 20 0 BCADHO C[C@@]1(CN2CC[C@@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880732 135260390 /nfs/dbraw/zinc/26/03/90/135260390.db2.gz QVNVSAPOYJOOKP-CHWSQXEVSA-N 1 3 237.347 0.198 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261919915 135262504 /nfs/dbraw/zinc/26/25/04/135262504.db2.gz YSKBTRXAVGQSMV-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261923080 135263387 /nfs/dbraw/zinc/26/33/87/135263387.db2.gz IUYHBGQZXGIHAT-UMNHJUIQSA-N 1 3 227.352 0.700 20 0 BCADHO CN1CCC(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000261974502 135268341 /nfs/dbraw/zinc/26/83/41/135268341.db2.gz UZESHQWMUVRDMR-NSHDSACASA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1C[NH2+]C1 ZINC000262034104 135274768 /nfs/dbraw/zinc/27/47/68/135274768.db2.gz PPMFERHAJHLDKB-AOOOYVTPSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@]1(CN2CCCC[C@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064593 135277186 /nfs/dbraw/zinc/27/71/86/135277186.db2.gz RMLDTVJZYZRGLP-WCQYABFASA-N 1 3 239.363 0.716 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000262070838 135277301 /nfs/dbraw/zinc/27/73/01/135277301.db2.gz SLAINNHHSXYAIS-GFCCVEGCSA-N 1 3 227.352 0.526 20 0 BCADHO Cn1cncc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000262097103 135278784 /nfs/dbraw/zinc/27/87/84/135278784.db2.gz VHISOSBLJOXFIG-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000262351567 135294801 /nfs/dbraw/zinc/29/48/01/135294801.db2.gz JCXNJZCCOBCGFU-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)C1(N)CCCC1 ZINC000262406119 135295243 /nfs/dbraw/zinc/29/52/43/135295243.db2.gz BIZZQXDBGHKMEV-UHFFFAOYSA-N 1 3 227.352 0.701 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262425473 135296428 /nfs/dbraw/zinc/29/64/28/135296428.db2.gz SFGJHJPUQLUNEX-GWCFXTLKSA-N 1 3 247.342 0.584 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000262394734 135298985 /nfs/dbraw/zinc/29/89/85/135298985.db2.gz OSIOCCSSRVXYOR-UTUOFQBUSA-N 1 3 241.379 0.818 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000342596316 135301188 /nfs/dbraw/zinc/30/11/88/135301188.db2.gz SCBALBYPHXCTLF-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262527347 135304244 /nfs/dbraw/zinc/30/42/44/135304244.db2.gz BDYSXLYGIBSWDA-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@H](C)N1CCCCCC1 ZINC000262533771 135304416 /nfs/dbraw/zinc/30/44/16/135304416.db2.gz OVEPDLRWEJJSSW-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000262589545 135306947 /nfs/dbraw/zinc/30/69/47/135306947.db2.gz ZHJVTGWTNPTADW-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262582698 135307150 /nfs/dbraw/zinc/30/71/50/135307150.db2.gz QMJSPNDDDIDYFR-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342702468 135308525 /nfs/dbraw/zinc/30/85/25/135308525.db2.gz CZZOFCZTNIQCIN-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CC[NH+](CC)CCN(CCOC)C(=O)CNC ZINC000262680072 135312814 /nfs/dbraw/zinc/31/28/14/135312814.db2.gz WOTHOUIXKJWOBN-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCCCN2)CC[NH2+]1 ZINC000262787163 135318425 /nfs/dbraw/zinc/31/84/25/135318425.db2.gz CUBWSNLBXHDGHC-NTZNESFSSA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCNCC1 ZINC000263006463 135326941 /nfs/dbraw/zinc/32/69/41/135326941.db2.gz PHDPHFLJZRELIR-DGCLKSJQSA-N 1 3 239.363 0.716 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081000485 135385952 /nfs/dbraw/zinc/38/59/52/135385952.db2.gz MULXAGHXFGVOBY-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335322149 136050304 /nfs/dbraw/zinc/05/03/04/136050304.db2.gz QDESBHKSVFOERX-KOLCDFICSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CN ZINC000335345307 136065937 /nfs/dbraw/zinc/06/59/37/136065937.db2.gz NTKAWKCKTGSOSG-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000335387815 136089875 /nfs/dbraw/zinc/08/98/75/136089875.db2.gz UKMCQWXKOCPQGW-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000335389051 136089891 /nfs/dbraw/zinc/08/98/91/136089891.db2.gz HOJKBKFDTAFJFX-YPMHNXCESA-N 1 3 245.326 0.433 20 0 BCADHO N[C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396193 136092619 /nfs/dbraw/zinc/09/26/19/136092619.db2.gz RVJBQBKJYOQFBF-AAEUAGOBSA-N 1 3 237.347 0.326 20 0 BCADHO CNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397745 136092892 /nfs/dbraw/zinc/09/28/92/136092892.db2.gz WURHIUAZDDAFPG-QWRGUYRKSA-N 1 3 225.336 0.054 20 0 BCADHO O=C1NCC[C@H]1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335397763 136092948 /nfs/dbraw/zinc/09/29/48/136092948.db2.gz YAIZTXVOFXRLQK-VXGBXAGGSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1(C)C[NH2+]C1 ZINC000335554046 136098824 /nfs/dbraw/zinc/09/88/24/136098824.db2.gz AGXRNHOPAMAFPI-GXSJLCMTSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CN1C1CC1 ZINC000335562881 136106584 /nfs/dbraw/zinc/10/65/84/136106584.db2.gz ZNJYGAMVZVBJCL-ZJUUUORDSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H](C)N1 ZINC000644087170 397754883 /nfs/dbraw/zinc/75/48/83/397754883.db2.gz HSQGSZIDNJAQPI-AEJSXWLSSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248858930 397766536 /nfs/dbraw/zinc/76/65/36/397766536.db2.gz LTWUUIMXVBYMTB-AXFHLTTASA-N 1 3 239.363 0.855 20 0 BCADHO NC(C(=O)N[C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000353132696 397960313 /nfs/dbraw/zinc/96/03/13/397960313.db2.gz SHCADDRZAORUDB-LYFYHCNISA-N 1 3 239.241 0.120 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000054132995 397903852 /nfs/dbraw/zinc/90/38/52/397903852.db2.gz VJZRLXNCIHDNFJ-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)CC(C)C ZINC000054132995 397903853 /nfs/dbraw/zinc/90/38/53/397903853.db2.gz VJZRLXNCIHDNFJ-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953141 398009551 /nfs/dbraw/zinc/00/95/51/398009551.db2.gz DJZJXIBPBUQKTM-MWLCHTKSSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373052893 398010422 /nfs/dbraw/zinc/01/04/22/398010422.db2.gz DGAICUFEZGBEQA-GMTAPVOTSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365094609 398023542 /nfs/dbraw/zinc/02/35/42/398023542.db2.gz OSRMJPSPWVUVSM-HOSYDEDBSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000383687775 398034776 /nfs/dbraw/zinc/03/47/76/398034776.db2.gz SEZGRKJIFLRHPC-CHWSQXEVSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000383687775 398034781 /nfs/dbraw/zinc/03/47/81/398034781.db2.gz SEZGRKJIFLRHPC-CHWSQXEVSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564726875 398039483 /nfs/dbraw/zinc/03/94/83/398039483.db2.gz NEVMUPTWLCZFRT-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000365049029 397987198 /nfs/dbraw/zinc/98/71/98/397987198.db2.gz RQXWERDHLXSZDF-ZYHUDNBSSA-N 1 3 245.342 0.535 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000365049029 397987201 /nfs/dbraw/zinc/98/72/01/397987201.db2.gz RQXWERDHLXSZDF-ZYHUDNBSSA-N 1 3 245.342 0.535 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CC[N@@H+]1C ZINC000491904975 398076999 /nfs/dbraw/zinc/07/69/99/398076999.db2.gz NAZOTLITDZQCFA-AIIUZBJTSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)/C=C/CN(C)C)CC[N@H+]1C ZINC000491904975 398077003 /nfs/dbraw/zinc/07/70/03/398077003.db2.gz NAZOTLITDZQCFA-AIIUZBJTSA-N 1 3 239.363 0.703 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309395669 171370477 /nfs/dbraw/zinc/37/04/77/171370477.db2.gz GOAVCWCDUJQHFK-DTWKUNHWSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000019430583 171371222 /nfs/dbraw/zinc/37/12/22/171371222.db2.gz TWCZDBRVXIYDJS-WDEREUQCSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)N1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332713405 167032580 /nfs/dbraw/zinc/03/25/80/167032580.db2.gz PISCDLQKLWIPOR-UTUOFQBUSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000069626433 167052429 /nfs/dbraw/zinc/05/24/29/167052429.db2.gz OHXPZJZEEVYDCJ-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO [NH3+]C[C@H](NC[C@H]1CNCCO1)C1CCCCC1 ZINC000662276148 487529349 /nfs/dbraw/zinc/52/93/49/487529349.db2.gz FXCNYIUMQMSNCG-OLZOCXBDSA-N 1 3 241.379 0.472 20 0 BCADHO CCCCN(CCO)C[C@H]1CC[NH2+]C1 ZINC000238208778 487570095 /nfs/dbraw/zinc/57/00/95/487570095.db2.gz ISZAZYDTLREEDA-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO [NH3+]CCCN1CCC(CCCO)CC1 ZINC000238565724 487586577 /nfs/dbraw/zinc/58/65/77/487586577.db2.gz KODFBEAMYUSQLT-UHFFFAOYSA-N 1 3 200.326 0.820 20 0 BCADHO OCCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000238645236 487588631 /nfs/dbraw/zinc/58/86/31/487588631.db2.gz YYGURBNQYBEZFC-GFCCVEGCSA-N 1 3 212.337 0.690 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)c1cccc2c1CCNC2 ZINC000662401365 487598679 /nfs/dbraw/zinc/59/86/79/487598679.db2.gz SAXZUKKTSHAGNT-NSHDSACASA-N 1 3 245.326 0.424 20 0 BCADHO C[NH+](C)Cc1ccc(CNCCC(N)=O)cc1 ZINC000556750288 322921640 /nfs/dbraw/zinc/92/16/40/322921640.db2.gz DBMWEUNXPJEDFP-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn[nH]c1 ZINC000674711145 487607432 /nfs/dbraw/zinc/60/74/32/487607432.db2.gz QNTNHDUPCDJZPN-LBPRGKRZSA-N 1 3 240.351 0.856 20 0 BCADHO CCC[C@@H]1C[NH2+]CCN1C[C@H]1CNCCO1 ZINC000662267742 409570065 /nfs/dbraw/zinc/57/00/65/409570065.db2.gz YHYAOUOVOYOSEO-VXGBXAGGSA-N 1 3 227.352 0.049 20 0 BCADHO c1ccc2c(c1)C[NH2+]CCN2C[C@H]1CNCCO1 ZINC000662247743 409549410 /nfs/dbraw/zinc/54/94/10/409549410.db2.gz ZRRXVFYQTVGEKV-CYBMUJFWSA-N 1 3 247.342 0.585 20 0 BCADHO CO[C@@H](C[N@H+](C)C[C@@H](O)CN)C1CCCC1 ZINC000662277214 409590597 /nfs/dbraw/zinc/59/05/97/409590597.db2.gz NHELYNMRTXRVDH-RYUDHWBXSA-N 1 3 230.352 0.443 20 0 BCADHO CO[C@@H](C[N@@H+](C)C[C@@H](O)CN)C1CCCC1 ZINC000662277214 409590602 /nfs/dbraw/zinc/59/06/02/409590602.db2.gz NHELYNMRTXRVDH-RYUDHWBXSA-N 1 3 230.352 0.443 20 0 BCADHO CO[C@@H](C[N@H+](C)C[C@H](O)CN)C1CCCC1 ZINC000662277208 409591339 /nfs/dbraw/zinc/59/13/39/409591339.db2.gz NHELYNMRTXRVDH-NEPJUHHUSA-N 1 3 230.352 0.443 20 0 BCADHO CO[C@@H](C[N@@H+](C)C[C@H](O)CN)C1CCCC1 ZINC000662277208 409591346 /nfs/dbraw/zinc/59/13/46/409591346.db2.gz NHELYNMRTXRVDH-NEPJUHHUSA-N 1 3 230.352 0.443 20 0 BCADHO CO[C@H](CN1CCCO[C@@H](C[NH3+])C1)C1CCC1 ZINC000662280696 409600117 /nfs/dbraw/zinc/60/01/17/409600117.db2.gz GYZWQTCKIMLPQY-QWHCGFSZSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@H](C[N@@H+]1CCCO[C@@H](CN)C1)C1CCC1 ZINC000662280696 409600122 /nfs/dbraw/zinc/60/01/22/409600122.db2.gz GYZWQTCKIMLPQY-QWHCGFSZSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@H](C[N@H+]1CCCO[C@@H](CN)C1)C1CCC1 ZINC000662280696 409600129 /nfs/dbraw/zinc/60/01/29/409600129.db2.gz GYZWQTCKIMLPQY-QWHCGFSZSA-N 1 3 242.363 0.851 20 0 BCADHO [NH3+]CC12CCC(CC1)CN2C[C@H]1CNCCO1 ZINC000662282485 409606811 /nfs/dbraw/zinc/60/68/11/409606811.db2.gz ACXWLMBVEBABLN-OTTFEQOBSA-N 1 3 239.363 0.178 20 0 BCADHO CC(C)NCC(=O)NCCC[NH2+]C(C)C ZINC000662409871 409701208 /nfs/dbraw/zinc/70/12/08/409701208.db2.gz FPIPHEPNSFFAAA-UHFFFAOYSA-N 1 3 215.341 0.489 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662419160 409704194 /nfs/dbraw/zinc/70/41/94/409704194.db2.gz DYVZKBCWSXQTNZ-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000662383482 409685914 /nfs/dbraw/zinc/68/59/14/409685914.db2.gz LKSWXTCAWMZALI-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000662440340 409722219 /nfs/dbraw/zinc/72/22/19/409722219.db2.gz XQBXSHHDCNYMFW-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000662513938 409741435 /nfs/dbraw/zinc/74/14/35/409741435.db2.gz HKGRBBWGYGIMEH-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000662552653 409755527 /nfs/dbraw/zinc/75/55/27/409755527.db2.gz CROYORMPTFMKIS-ZDUSSCGKSA-N 1 3 247.342 0.904 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662680082 409828813 /nfs/dbraw/zinc/82/88/13/409828813.db2.gz FEKOSWKYMGUJGW-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623647 409795438 /nfs/dbraw/zinc/79/54/38/409795438.db2.gz ZOAARWSOHPGVHG-QWRGUYRKSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623647 409795444 /nfs/dbraw/zinc/79/54/44/409795444.db2.gz ZOAARWSOHPGVHG-QWRGUYRKSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662782413 409912672 /nfs/dbraw/zinc/91/26/72/409912672.db2.gz JCCRSXCLAWHECK-RKDXNWHRSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000308588244 409886684 /nfs/dbraw/zinc/88/66/84/409886684.db2.gz JHFAJDWTFHBEPE-HBNTYKKESA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000308588244 409886687 /nfs/dbraw/zinc/88/66/87/409886687.db2.gz JHFAJDWTFHBEPE-HBNTYKKESA-N 1 3 200.326 0.830 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844943 409948343 /nfs/dbraw/zinc/94/83/43/409948343.db2.gz JAMPXYIWEZTVMO-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000662839407 409948555 /nfs/dbraw/zinc/94/85/55/409948555.db2.gz QNXLPZNDGAFTQC-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000662839407 409948564 /nfs/dbraw/zinc/94/85/64/409948564.db2.gz QNXLPZNDGAFTQC-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO NC(C(=O)NCCC1(C[NH3+])CC1)C(F)(F)F ZINC000653221028 410169030 /nfs/dbraw/zinc/16/90/30/410169030.db2.gz DOJYNFCWMLXFPV-ZCFIWIBFSA-N 1 3 239.241 0.121 20 0 BCADHO CCN(CC)CC(=O)NCCC1(C[NH3+])CC1 ZINC000653221190 410169919 /nfs/dbraw/zinc/16/99/19/410169919.db2.gz LXBJXOCTCLZDND-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO NC1(C(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000653225733 410173260 /nfs/dbraw/zinc/17/32/60/410173260.db2.gz BLKRARBGSQBXAN-UHFFFAOYSA-N 1 3 237.278 0.392 20 0 BCADHO [NH3+]CCCN[C@H]1CNc2ccccc2C1 ZINC000650715169 410351813 /nfs/dbraw/zinc/35/18/13/410351813.db2.gz SJUBIRHHLFDMGP-LLVKDONJSA-N 1 3 205.305 0.962 20 0 BCADHO NCCC[NH2+][C@H]1CNc2ccccc2C1 ZINC000650715169 410351816 /nfs/dbraw/zinc/35/18/16/410351816.db2.gz SJUBIRHHLFDMGP-LLVKDONJSA-N 1 3 205.305 0.962 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000655456230 410507381 /nfs/dbraw/zinc/50/73/81/410507381.db2.gz BBQUMGABIKOPFZ-VIFPVBQESA-N 1 3 233.315 0.514 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655460750 410574768 /nfs/dbraw/zinc/57/47/68/410574768.db2.gz ALCDBWCUXFDLDD-ZYHUDNBSSA-N 1 3 225.336 0.054 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@@H](C)C[NH3+] ZINC000236837226 169764149 /nfs/dbraw/zinc/76/41/49/169764149.db2.gz PUYAQRRVSNPHGQ-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309266039 410692249 /nfs/dbraw/zinc/69/22/49/410692249.db2.gz JMMVMTDMBXQODH-VIFPVBQESA-N 1 3 213.325 0.310 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000236843059 169768150 /nfs/dbraw/zinc/76/81/50/169768150.db2.gz IOGLUQNORGYFMR-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)[C@@H]1CCOC1 ZINC000665234971 410727375 /nfs/dbraw/zinc/72/73/75/410727375.db2.gz NEBFCJPPFLRQHD-UMSGYPCISA-N 1 3 242.363 0.755 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665262105 410733565 /nfs/dbraw/zinc/73/35/65/410733565.db2.gz UJIQVJNPPIRHIH-CHWFTXMASA-N 1 3 216.325 0.099 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489143 410794552 /nfs/dbraw/zinc/79/45/52/410794552.db2.gz MQHYFNUYPQPLIV-AXFHLTTASA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488856 410801255 /nfs/dbraw/zinc/80/12/55/410801255.db2.gz HQSLLAFUWNLJPD-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H](N)C(C)C ZINC000019428904 169773641 /nfs/dbraw/zinc/77/36/41/169773641.db2.gz XLJMMHPVGNRSAV-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)CNC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514372 166995213 /nfs/dbraw/zinc/99/52/13/166995213.db2.gz BQGVDJRSSJAWLA-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CCN(CC[C@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396741190 410895752 /nfs/dbraw/zinc/89/57/52/410895752.db2.gz QJRXPOUXGTZISJ-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CC(C)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000334997838 167054206 /nfs/dbraw/zinc/05/42/06/167054206.db2.gz FZYNKQNBDASTFZ-TXEJJXNPSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)OC[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000336735641 167265685 /nfs/dbraw/zinc/26/56/85/167265685.db2.gz IGIUQLLYBXJURL-RYUDHWBXSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)OC[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000336735641 167265687 /nfs/dbraw/zinc/26/56/87/167265687.db2.gz IGIUQLLYBXJURL-RYUDHWBXSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)N(C)C ZINC000129906850 167342898 /nfs/dbraw/zinc/34/28/98/167342898.db2.gz LRLMLMCMLWTKSD-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)N(C)C ZINC000376387296 167344426 /nfs/dbraw/zinc/34/44/26/167344426.db2.gz PVNDSYHQHFXGMO-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@H]1CN(C(=O)C(C)(C)N)CC[C@@H]1[NH3+] ZINC000309382809 410929514 /nfs/dbraw/zinc/92/95/14/410929514.db2.gz DNMIBPWVBBIHMA-IUCAKERBSA-N 1 3 213.325 0.310 20 0 BCADHO CCN(C[C@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000309646773 410971970 /nfs/dbraw/zinc/97/19/70/410971970.db2.gz QRYQIQLJVCXZHQ-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659550953 411155183 /nfs/dbraw/zinc/15/51/83/411155183.db2.gz SMQQANJKQQUTOG-IVZWLZJFSA-N 1 3 246.330 0.195 20 0 BCADHO CC[C@@H]1CN(C(=O)C(C)(C)N)CC[C@H]1[NH3+] ZINC000309382811 411120966 /nfs/dbraw/zinc/12/09/66/411120966.db2.gz DNMIBPWVBBIHMA-RKDXNWHRSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000309399762 411162540 /nfs/dbraw/zinc/16/25/40/411162540.db2.gz HEJFREQJIHBRDP-KXUCPTDWSA-N 1 3 213.325 0.165 20 0 BCADHO CCn1cnnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401051844 411174417 /nfs/dbraw/zinc/17/44/17/411174417.db2.gz YRUFAFSMLURZDM-IJLUTSLNSA-N 1 3 249.362 0.776 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000061645005 411174853 /nfs/dbraw/zinc/17/48/53/411174853.db2.gz WGUFBZFUDPGQMW-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@@H](Cn1cncn1)[NH2+]CC1=CCN(C)CC1 ZINC000657940753 411175106 /nfs/dbraw/zinc/17/51/06/411175106.db2.gz MQAJGLTVPSPSFR-NSHDSACASA-N 1 3 235.335 0.518 20 0 BCADHO NC[C@H](NC(=O)CCCC[NH3+])C(F)(F)F ZINC000655516763 411186738 /nfs/dbraw/zinc/18/67/38/411186738.db2.gz YITFHVASJDKAGR-LURJTMIESA-N 1 3 227.230 0.121 20 0 BCADHO CN(C)CCOCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657986214 411190375 /nfs/dbraw/zinc/19/03/75/411190375.db2.gz CZYCYOLXLUEHEJ-GFCCVEGCSA-N 1 3 242.363 0.866 20 0 BCADHO Cn1nnc2c1CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000656193295 411200823 /nfs/dbraw/zinc/20/08/23/411200823.db2.gz FFPVIWYPLLDEHT-MXWKQRLJSA-N 1 3 249.362 0.532 20 0 BCADHO CCn1cnnc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656197417 411202647 /nfs/dbraw/zinc/20/26/47/411202647.db2.gz HXKMSIRRBLCVCM-QWRGUYRKSA-N 1 3 237.351 0.700 20 0 BCADHO CC(C)N1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000656197828 411203045 /nfs/dbraw/zinc/20/30/45/411203045.db2.gz MUKUCSGUYDTGTO-IJLUTSLNSA-N 1 3 239.363 0.855 20 0 BCADHO CCN(C[C@H]1CCOC1)C[C@@](C)(O)C[NH2+]C ZINC000652337104 411203984 /nfs/dbraw/zinc/20/39/84/411203984.db2.gz KAPQFBITQONNRJ-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)CC(C)(C)OC ZINC000652338552 411204699 /nfs/dbraw/zinc/20/46/99/411204699.db2.gz WCFXQKXCWCYNSC-LLVKDONJSA-N 1 3 218.341 0.314 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)CC(C)(C)OC ZINC000652338552 411204700 /nfs/dbraw/zinc/20/47/00/411204700.db2.gz WCFXQKXCWCYNSC-LLVKDONJSA-N 1 3 218.341 0.314 20 0 BCADHO C[C@@H](CO)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000652358562 411213029 /nfs/dbraw/zinc/21/30/29/411213029.db2.gz RVVFQCAFQOYXRV-RYUDHWBXSA-N 1 3 226.364 0.936 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659293737 411214490 /nfs/dbraw/zinc/21/44/90/411214490.db2.gz GZCCBNUVWLEXCG-WDEREUQCSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H](N)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358538 411215195 /nfs/dbraw/zinc/21/51/95/411215195.db2.gz QDBSICUULLNIIR-NXEZZACHSA-N 1 3 200.326 0.674 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@](C)(CO)OC)[C@@H](C)C1 ZINC000655787467 411235852 /nfs/dbraw/zinc/23/58/52/411235852.db2.gz WEKLEHODSRCPKP-RWMBFGLXSA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@](C)(CO)OC)[C@@H](C)C1 ZINC000655787467 411235855 /nfs/dbraw/zinc/23/58/55/411235855.db2.gz WEKLEHODSRCPKP-RWMBFGLXSA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(CO)OC)[C@@H](C)C1 ZINC000655787465 411236134 /nfs/dbraw/zinc/23/61/34/411236134.db2.gz WEKLEHODSRCPKP-AVGNSLFASA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@](C)(CO)OC)[C@@H](C)C1 ZINC000655787465 411236136 /nfs/dbraw/zinc/23/61/36/411236136.db2.gz WEKLEHODSRCPKP-AVGNSLFASA-N 1 3 244.379 0.704 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CCCN(C)C1)[NH+](C)C ZINC000652418157 411237322 /nfs/dbraw/zinc/23/73/22/411237322.db2.gz UUVXFTNUNBCZME-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO [NH3+]C[C@]12CCC[C@H]1CN(CCn1cncn1)C2 ZINC000310446356 411238265 /nfs/dbraw/zinc/23/82/65/411238265.db2.gz UKOYRFUTUCZIFR-RYUDHWBXSA-N 1 3 235.335 0.339 20 0 BCADHO NC[C@]12CCC[C@H]1C[N@H+](CCn1cncn1)C2 ZINC000310446356 411238266 /nfs/dbraw/zinc/23/82/66/411238266.db2.gz UKOYRFUTUCZIFR-RYUDHWBXSA-N 1 3 235.335 0.339 20 0 BCADHO NC[C@]12CCC[C@H]1C[N@@H+](CCn1cncn1)C2 ZINC000310446356 411238268 /nfs/dbraw/zinc/23/82/68/411238268.db2.gz UKOYRFUTUCZIFR-RYUDHWBXSA-N 1 3 235.335 0.339 20 0 BCADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)NC ZINC000396730594 411240658 /nfs/dbraw/zinc/24/06/58/411240658.db2.gz DNYMCBXLRSWARC-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000309409477 411241671 /nfs/dbraw/zinc/24/16/71/411241671.db2.gz IKJYCTXVZFAWPR-UTLUCORTSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)(C)[C@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467456 411279157 /nfs/dbraw/zinc/27/91/57/411279157.db2.gz CIPBROPWDWPTIC-PSASIEDQSA-N 1 3 223.324 0.858 20 0 BCADHO CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000656540823 411293829 /nfs/dbraw/zinc/29/38/29/411293829.db2.gz SXCFRMRFRCGNMW-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000656540823 411293831 /nfs/dbraw/zinc/29/38/31/411293831.db2.gz SXCFRMRFRCGNMW-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO C[C@@H]1CNC[C@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759492 411318048 /nfs/dbraw/zinc/31/80/48/411318048.db2.gz HCCNBXBRYJMGRE-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](NCCCn2ccnc2)C1 ZINC000401759492 411318052 /nfs/dbraw/zinc/31/80/52/411318052.db2.gz HCCNBXBRYJMGRE-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO [NH3+]CCn1cc(CCN2CCCCC2)nn1 ZINC000656432946 411249414 /nfs/dbraw/zinc/24/94/14/411249414.db2.gz DVHQPBUQGQINBS-UHFFFAOYSA-N 1 3 223.324 0.265 20 0 BCADHO OC/C=C/C[NH2+]C1CCN(CC2CC2)CC1 ZINC000658134317 411259973 /nfs/dbraw/zinc/25/99/73/411259973.db2.gz QCZBKGIVVTZPDV-OWOJBTEDSA-N 1 3 224.348 0.999 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000659325538 411352790 /nfs/dbraw/zinc/35/27/90/411352790.db2.gz UUUWFAHKVKYFJB-NEPJUHHUSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000659318713 411344148 /nfs/dbraw/zinc/34/41/48/411344148.db2.gz GPDDFQPFDJLZFA-SECBINFHSA-N 1 3 213.325 0.241 20 0 BCADHO CC1CCN(CCNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115884 168180593 /nfs/dbraw/zinc/18/05/93/168180593.db2.gz QVUMLDLBTMOAPE-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CCC[N@H+](CCC(=O)N(C)C)[C@@H]1CCN ZINC000404287052 411388857 /nfs/dbraw/zinc/38/88/57/411388857.db2.gz INJNLMXMRQCMAQ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@@H]1CCN ZINC000404287052 411388859 /nfs/dbraw/zinc/38/88/59/411388859.db2.gz INJNLMXMRQCMAQ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CCCN(CCC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404287052 411388861 /nfs/dbraw/zinc/38/88/61/411388861.db2.gz INJNLMXMRQCMAQ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCN(C)C ZINC000309788164 168300819 /nfs/dbraw/zinc/30/08/19/168300819.db2.gz OOUNZOFDKJFSAU-JTQLQIEISA-N 1 3 229.368 0.831 20 0 BCADHO CN1CCC(NC(=O)CCC(C)(C)[NH3+])CC1 ZINC000069633579 411458223 /nfs/dbraw/zinc/45/82/23/411458223.db2.gz KCYIOUJKQJPUFG-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CC(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659371249 411405278 /nfs/dbraw/zinc/40/52/78/411405278.db2.gz VLGCOCZKHGXSNX-GFCCVEGCSA-N 1 3 249.314 0.505 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC[C@H]1F ZINC000659388521 411410232 /nfs/dbraw/zinc/41/02/32/411410232.db2.gz JPTKPTJMBSHMNI-LNFKQOIKSA-N 1 3 243.326 0.402 20 0 BCADHO CCN1CCC(NC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659428100 411413615 /nfs/dbraw/zinc/41/36/15/411413615.db2.gz WZVJGSYMBIIIHF-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000659450664 411415619 /nfs/dbraw/zinc/41/56/19/411415619.db2.gz DJXMSHPRQFLMLI-ZJUUUORDSA-N 1 3 242.367 0.376 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000659529901 411429863 /nfs/dbraw/zinc/42/98/63/411429863.db2.gz MRCLHBCWNMKUJX-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])C1 ZINC000659551553 411434490 /nfs/dbraw/zinc/43/44/90/411434490.db2.gz VFRPCCOGCWUXQE-MXWKQRLJSA-N 1 3 242.367 0.506 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](OC)CC1 ZINC000653612977 411439902 /nfs/dbraw/zinc/43/99/02/411439902.db2.gz OWGLBWCESCFOLD-STQMWFEESA-N 1 3 244.379 0.800 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](OC)CC1 ZINC000653612977 411439905 /nfs/dbraw/zinc/43/99/05/411439905.db2.gz OWGLBWCESCFOLD-STQMWFEESA-N 1 3 244.379 0.800 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000659636447 411445076 /nfs/dbraw/zinc/44/50/76/411445076.db2.gz LXYCVHWGLHJKLF-LLVKDONJSA-N 1 3 244.383 0.576 20 0 BCADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000659850351 411476520 /nfs/dbraw/zinc/47/65/20/411476520.db2.gz OKENFGSBLFIZHO-WUHRBBMRSA-N 1 3 240.347 0.189 20 0 BCADHO CC[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000657370325 411483862 /nfs/dbraw/zinc/48/38/62/411483862.db2.gz BRMATRIORDZGKZ-RYUDHWBXSA-N 1 3 242.363 0.600 20 0 BCADHO N[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000127648394 411499417 /nfs/dbraw/zinc/49/94/17/411499417.db2.gz BIDZBRYNWLVKAW-YPMHNXCESA-N 1 3 247.342 0.802 20 0 BCADHO C[C@@H]1C[C@@H](N(C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984668 411519690 /nfs/dbraw/zinc/51/96/90/411519690.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 1 3 237.351 0.762 20 0 BCADHO C[C@@H]1C[C@@H](N(C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984668 411519692 /nfs/dbraw/zinc/51/96/92/411519692.db2.gz QRSYZCGGVHCSIK-PWSUYJOCSA-N 1 3 237.351 0.762 20 0 BCADHO CCn1nncc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824742 411526369 /nfs/dbraw/zinc/52/63/69/411526369.db2.gz OGMVPCRKBGFECP-PHIMTYICSA-N 1 3 237.351 0.728 20 0 BCADHO CN1CCC[C@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633948 411465946 /nfs/dbraw/zinc/46/59/46/411465946.db2.gz CIUPAQNGNOJENJ-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000309028818 170009030 /nfs/dbraw/zinc/00/90/30/170009030.db2.gz CJEQMBPTFJRVEQ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(N)=O)C1 ZINC000309028818 170009032 /nfs/dbraw/zinc/00/90/32/170009032.db2.gz CJEQMBPTFJRVEQ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(N)=O)C1 ZINC000309028818 170009033 /nfs/dbraw/zinc/00/90/33/170009033.db2.gz CJEQMBPTFJRVEQ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000309028817 170016852 /nfs/dbraw/zinc/01/68/52/170016852.db2.gz CJEQMBPTFJRVEQ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(N)=O)C1 ZINC000309028817 170016854 /nfs/dbraw/zinc/01/68/54/170016854.db2.gz CJEQMBPTFJRVEQ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(N)=O)C1 ZINC000309028817 170016856 /nfs/dbraw/zinc/01/68/56/170016856.db2.gz CJEQMBPTFJRVEQ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000309028815 170017239 /nfs/dbraw/zinc/01/72/39/170017239.db2.gz CJEQMBPTFJRVEQ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CCN1CC[C@H]([NH2+]CCN(C)C)[C@@H](C)C1 ZINC000308864807 170020188 /nfs/dbraw/zinc/02/01/88/170020188.db2.gz ABRMKFZHJSRNDV-RYUDHWBXSA-N 1 3 213.369 0.868 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@H](O)C(F)F)[C@H](C)C1 ZINC000336778404 170021492 /nfs/dbraw/zinc/02/14/92/170021492.db2.gz LHIZJRSNACUMCZ-UTLUCORTSA-N 1 3 236.306 0.932 20 0 BCADHO CC[N@@H+]1CC[C@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358348704 170021676 /nfs/dbraw/zinc/02/16/76/170021676.db2.gz WBQDDUIVYLGEFY-RYUDHWBXSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@H+]1CC[C@H](NCC2(CO)COC2)[C@@H](C)C1 ZINC000358348704 170021677 /nfs/dbraw/zinc/02/16/77/170021677.db2.gz WBQDDUIVYLGEFY-RYUDHWBXSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125619 170022693 /nfs/dbraw/zinc/02/26/93/170022693.db2.gz IEJIARDYXKEWNM-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@@H]2CCC(=O)NC2)[C@H](C)C1 ZINC000358125619 170022695 /nfs/dbraw/zinc/02/26/95/170022695.db2.gz IEJIARDYXKEWNM-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125617 170022897 /nfs/dbraw/zinc/02/28/97/170022897.db2.gz IEJIARDYXKEWNM-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125617 170022899 /nfs/dbraw/zinc/02/28/99/170022899.db2.gz IEJIARDYXKEWNM-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH2+]C ZINC000236848692 170024051 /nfs/dbraw/zinc/02/40/51/170024051.db2.gz JGVDTGKLISQXAN-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CCNC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000336127166 170058472 /nfs/dbraw/zinc/05/84/72/170058472.db2.gz OMFLELIVLFJPEH-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@@H](N)C(C)C ZINC000309160798 170139420 /nfs/dbraw/zinc/13/94/20/170139420.db2.gz YYFOWCHQQAGIFT-IUCAKERBSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(CCc2c[nH]nn2)CC1 ZINC000660415208 411582272 /nfs/dbraw/zinc/58/22/72/411582272.db2.gz BQHQROHKRHMICT-GFCCVEGCSA-N 1 3 237.351 0.763 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000131671020 411591401 /nfs/dbraw/zinc/59/14/01/411591401.db2.gz NIKCJPQFAQLWLJ-VXGBXAGGSA-N 1 3 233.315 0.035 20 0 BCADHO CCN(CC)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657816905 411605934 /nfs/dbraw/zinc/60/59/34/411605934.db2.gz PNTVSVQVFYJERM-LBPRGKRZSA-N 1 3 239.367 0.988 20 0 BCADHO CN1CC[C@@]2(C1)CCC[N@H+](CCOCCO)C2 ZINC000660659801 411613873 /nfs/dbraw/zinc/61/38/73/411613873.db2.gz RJYLVPVXYAXXMF-CYBMUJFWSA-N 1 3 242.363 0.413 20 0 BCADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCOCCO)C2 ZINC000660659801 411613874 /nfs/dbraw/zinc/61/38/74/411613874.db2.gz RJYLVPVXYAXXMF-CYBMUJFWSA-N 1 3 242.363 0.413 20 0 BCADHO C[C@]1(CN2CC[C@H]3COC[C@H]3C2)CC[NH2+]C1 ZINC000663500052 411683720 /nfs/dbraw/zinc/68/37/20/411683720.db2.gz IMZFEFWNHBWVJM-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]1(CN2CC[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000663500049 411684140 /nfs/dbraw/zinc/68/41/40/411684140.db2.gz IMZFEFWNHBWVJM-AGIUHOORSA-N 1 3 224.348 0.954 20 0 BCADHO C(C[C@H]1CCOC1)[NH2+]CC12CC(C1)CN2 ZINC000663501879 411686299 /nfs/dbraw/zinc/68/62/99/411686299.db2.gz ZBLUCVQZSYLQPY-UNXYVOJBSA-N 1 3 210.321 0.755 20 0 BCADHO CC(C)(C)[NH2+]CCN1CC[C@@H](F)[C@H](N)C1 ZINC000663505862 411688480 /nfs/dbraw/zinc/68/84/80/411688480.db2.gz OHAOJQXCAAQUOT-NXEZZACHSA-N 1 3 217.332 0.746 20 0 BCADHO Cn1cncc1CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000314415417 411689633 /nfs/dbraw/zinc/68/96/33/411689633.db2.gz VHBJKQFEBWQNIW-VXGBXAGGSA-N 1 3 234.347 0.504 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)C1CCC1 ZINC000661151568 411720187 /nfs/dbraw/zinc/72/01/87/411720187.db2.gz DDEOTZJRSBVXGL-NWDGAFQWSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CO)C1CCC1 ZINC000661151568 411720190 /nfs/dbraw/zinc/72/01/90/411720190.db2.gz DDEOTZJRSBVXGL-NWDGAFQWSA-N 1 3 230.352 0.050 20 0 BCADHO C[NH2+]CC1CCN(Cc2ccc(N)nc2)CC1 ZINC000647494301 411900474 /nfs/dbraw/zinc/90/04/74/411900474.db2.gz VXEZQZSCNMLVKE-UHFFFAOYSA-N 1 3 234.347 1.095 20 0 BCADHO Nc1ncc(CNCCOCCC[NH3+])s1 ZINC000629679777 411975645 /nfs/dbraw/zinc/97/56/45/411975645.db2.gz OPHHOVUCSQPKMG-UHFFFAOYSA-N 1 3 230.337 0.180 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000219973035 412009166 /nfs/dbraw/zinc/00/91/66/412009166.db2.gz HVGIAZIOVOLLQG-CMPLNLGQSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000219973035 412009171 /nfs/dbraw/zinc/00/91/71/412009171.db2.gz HVGIAZIOVOLLQG-CMPLNLGQSA-N 1 3 241.379 0.959 20 0 BCADHO CCN1CC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000662233633 412031829 /nfs/dbraw/zinc/03/18/29/412031829.db2.gz HORRSBMYEDXHKZ-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO COC[C@H](C[N@@H+]1CCCC[C@H]1[C@@H](C)N)OC ZINC000662235798 412035215 /nfs/dbraw/zinc/03/52/15/412035215.db2.gz SVVGTPZYEFBBGG-WOPDTQHZSA-N 1 3 230.352 0.850 20 0 BCADHO COC[C@H](C[N@H+]1CCCC[C@H]1[C@@H](C)N)OC ZINC000662235798 412035221 /nfs/dbraw/zinc/03/52/21/412035221.db2.gz SVVGTPZYEFBBGG-WOPDTQHZSA-N 1 3 230.352 0.850 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)C[C@@H](C)[NH2+]1 ZINC000662242967 412036979 /nfs/dbraw/zinc/03/69/79/412036979.db2.gz FYSLNPKZPZQMHE-IJLUTSLNSA-N 1 3 239.363 0.190 20 0 BCADHO C[C@H](CCNC(=O)N[C@@H](C)CN(C)C)[NH+](C)C ZINC000664895786 412040486 /nfs/dbraw/zinc/04/04/86/412040486.db2.gz ILQVRCWFGKIZOO-WDEREUQCSA-N 1 3 244.383 0.576 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662245116 412040711 /nfs/dbraw/zinc/04/07/11/412040711.db2.gz KOEIUCSQBFPCBY-RYUDHWBXSA-N 1 3 239.363 0.191 20 0 BCADHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662247173 412044457 /nfs/dbraw/zinc/04/44/57/412044457.db2.gz USPHRLJEZHFKCW-NEPJUHHUSA-N 1 3 239.363 0.049 20 0 BCADHO C[NH2+]C1CCN(C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662247082 412044522 /nfs/dbraw/zinc/04/45/22/412044522.db2.gz YQPAXXHAWLXYAX-LBPRGKRZSA-N 1 3 239.363 0.191 20 0 BCADHO C[NH2+]C[C@H]1CCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662247176 412045051 /nfs/dbraw/zinc/04/50/51/412045051.db2.gz USPHRLJEZHFKCW-VXGBXAGGSA-N 1 3 239.363 0.049 20 0 BCADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCCOCC1 ZINC000662253894 412048839 /nfs/dbraw/zinc/04/88/39/412048839.db2.gz YFCXICILJFQOHB-NSHDSACASA-N 1 3 226.320 0.230 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257003 412050865 /nfs/dbraw/zinc/05/08/65/412050865.db2.gz LIWAQYUNHKWAJY-GHMZBOCLSA-N 1 3 242.388 0.945 20 0 BCADHO CC(C)[NH2+]C1CCN(C[C@H]2CNCCO2)CC1 ZINC000662262029 412053804 /nfs/dbraw/zinc/05/38/04/412053804.db2.gz CWBJHWVOLGGKDY-CYBMUJFWSA-N 1 3 241.379 0.437 20 0 BCADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C[C@@H]1CCOC1 ZINC000662259243 412054160 /nfs/dbraw/zinc/05/41/60/412054160.db2.gz SRJQMGODKALNDH-NWDGAFQWSA-N 1 3 240.347 0.476 20 0 BCADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C[C@@H]1CCOC1 ZINC000662259243 412054165 /nfs/dbraw/zinc/05/41/65/412054165.db2.gz SRJQMGODKALNDH-NWDGAFQWSA-N 1 3 240.347 0.476 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[NH+]1CCCCC1 ZINC000662259604 412054543 /nfs/dbraw/zinc/05/45/43/412054543.db2.gz ZLRBLSRKIFORBI-NSHDSACASA-N 1 3 210.321 0.993 20 0 BCADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC[NH3+] ZINC000375848630 171100314 /nfs/dbraw/zinc/10/03/14/171100314.db2.gz LFTMRJUSFLDXCP-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@@H]1CN(C[C@H](COC)OC)CC[C@@H]1[NH3+] ZINC000662273108 412064696 /nfs/dbraw/zinc/06/46/96/412064696.db2.gz SYSBDKGJUSAGNU-UTUOFQBUSA-N 1 3 230.352 0.707 20 0 BCADHO CC[C@@H]1CN(C[C@@H](COC)OC)CC[C@@H]1[NH3+] ZINC000662273109 412066095 /nfs/dbraw/zinc/06/60/95/412066095.db2.gz SYSBDKGJUSAGNU-WOPDTQHZSA-N 1 3 230.352 0.707 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)[C@@H](C)C[NH2+]1 ZINC000662274849 412067445 /nfs/dbraw/zinc/06/74/45/412067445.db2.gz NBMJHAPHQBYAFG-WOPDTQHZSA-N 1 3 239.363 0.190 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000353476121 171147189 /nfs/dbraw/zinc/14/71/89/171147189.db2.gz YLFZATRSEHQYNK-RYUDHWBXSA-N 1 3 239.363 0.585 20 0 BCADHO C1=CCC(C[N@@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000662276759 412069397 /nfs/dbraw/zinc/06/93/97/412069397.db2.gz PMNZQGDIEBJCQD-CQSZACIVSA-N 1 3 235.375 0.932 20 0 BCADHO C1=CCC(C[N@H+]2CC[C@@H](N3CCNCC3)C2)C1 ZINC000662276759 412069400 /nfs/dbraw/zinc/06/94/00/412069400.db2.gz PMNZQGDIEBJCQD-CQSZACIVSA-N 1 3 235.375 0.932 20 0 BCADHO CO[C@@H](C[N@H+](C)C[C@@H](O)CN)C1CCCCC1 ZINC000662276905 412069499 /nfs/dbraw/zinc/06/94/99/412069499.db2.gz NDEVHCMDURRTPB-STQMWFEESA-N 1 3 244.379 0.833 20 0 BCADHO CO[C@@H](C[N@@H+](C)C[C@@H](O)CN)C1CCCCC1 ZINC000662276905 412069502 /nfs/dbraw/zinc/06/95/02/412069502.db2.gz NDEVHCMDURRTPB-STQMWFEESA-N 1 3 244.379 0.833 20 0 BCADHO CC[C@@](C)([NH2+]CC[C@@H]1CCCN1C)C(N)=O ZINC000309843561 171176513 /nfs/dbraw/zinc/17/65/13/171176513.db2.gz FIYJHYBVUWFGMK-CMPLNLGQSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@]1(C(=O)NCCN(C)C2CC2)CCC[NH2+]1 ZINC000122094667 171195896 /nfs/dbraw/zinc/19/58/96/171195896.db2.gz NRFQOGPUQCOZPI-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO CCOCCCNC1(CO)CC[NH2+]CC1 ZINC000662286803 412077449 /nfs/dbraw/zinc/07/74/49/412077449.db2.gz MEHIBAVSWPPWNI-UHFFFAOYSA-N 1 3 216.325 0.117 20 0 BCADHO CC[C@H](C(=O)N(C)CC[NH+](C)C)N(C)C ZINC000121673206 171221377 /nfs/dbraw/zinc/22/13/77/171221377.db2.gz TUKIXJSLVVKZMB-SNVBAGLBSA-N 1 3 215.341 0.347 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000346134268 171232287 /nfs/dbraw/zinc/23/22/87/171232287.db2.gz BZYRBRXOTBXKEW-VHSXEESVSA-N 1 3 215.341 0.393 20 0 BCADHO COCC1(N(C)CCOCC[NH3+])CC1 ZINC000662297617 412084058 /nfs/dbraw/zinc/08/40/58/412084058.db2.gz GUMLSPYNSHYYPU-UHFFFAOYSA-N 1 3 202.298 0.073 20 0 BCADHO CC[C@H](C)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000224293276 171324401 /nfs/dbraw/zinc/32/44/01/171324401.db2.gz HQVBZERFBOSMGL-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393985 171369253 /nfs/dbraw/zinc/36/92/53/171369253.db2.gz TWWFBWXKECPGTA-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000247441754 171369662 /nfs/dbraw/zinc/36/96/62/171369662.db2.gz XBTQQLFEDXMCAZ-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382922 171370204 /nfs/dbraw/zinc/37/02/04/171370204.db2.gz BLHCZHVSOZRBSI-UKKRHICBSA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375255223 171370247 /nfs/dbraw/zinc/37/02/47/171370247.db2.gz DMRBEGHKNLMXCL-HHHUOAJASA-N 1 3 239.363 0.841 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380596 171370595 /nfs/dbraw/zinc/37/05/95/171370595.db2.gz ARFQBLDTNXMOJA-WDEREUQCSA-N 1 3 245.367 0.054 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133556 171370657 /nfs/dbraw/zinc/37/06/57/171370657.db2.gz UONFLPAJNFMHRA-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133556 171370659 /nfs/dbraw/zinc/37/06/59/171370659.db2.gz UONFLPAJNFMHRA-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368104655 171394137 /nfs/dbraw/zinc/39/41/37/171394137.db2.gz IKQJXNCJNZKQOA-USZNOCQGSA-N 1 3 239.363 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000337523737 171394562 /nfs/dbraw/zinc/39/45/62/171394562.db2.gz WXLJHZZXUSHCID-ZDCRXTMVSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000019430587 171395395 /nfs/dbraw/zinc/39/53/95/171395395.db2.gz TWCZDBRVXIYDJS-QWRGUYRKSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237032358 171395926 /nfs/dbraw/zinc/39/59/26/171395926.db2.gz YNMRECXAUZJGNW-SRVKXCTJSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCCC[C@@H]1C ZINC000662386496 412140320 /nfs/dbraw/zinc/14/03/20/412140320.db2.gz BBJPZVZGALLNLK-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000662389437 412141733 /nfs/dbraw/zinc/14/17/33/412141733.db2.gz XIZNJNVNQZFTEJ-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316222 412094432 /nfs/dbraw/zinc/09/44/32/412094432.db2.gz XJJMBGCGENTCDZ-STQMWFEESA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316222 412094433 /nfs/dbraw/zinc/09/44/33/412094433.db2.gz XJJMBGCGENTCDZ-STQMWFEESA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@]2(C1)CCCOC2 ZINC000662316222 412094435 /nfs/dbraw/zinc/09/44/35/412094435.db2.gz XJJMBGCGENTCDZ-STQMWFEESA-N 1 3 242.363 0.459 20 0 BCADHO C[C@@H]1CCCN(CC(N)=O)[C@@H]1CCC[NH3+] ZINC000662314973 412096997 /nfs/dbraw/zinc/09/69/97/412096997.db2.gz GFNDHVSFOXFQJS-NXEZZACHSA-N 1 3 213.325 0.311 20 0 BCADHO CC(C)NC(=O)[C@@H]1CCCN(CCC[NH3+])C1 ZINC000662316673 412097604 /nfs/dbraw/zinc/09/76/04/412097604.db2.gz LUVPSGFEQKDTNP-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000662389436 412142161 /nfs/dbraw/zinc/14/21/61/412142161.db2.gz XIZNJNVNQZFTEJ-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO NCc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662392019 412143446 /nfs/dbraw/zinc/14/34/46/412143446.db2.gz AOQUUCIJWJZGKB-UHFFFAOYSA-N 1 3 219.288 0.965 20 0 BCADHO [NH3+]CCCNC(=O)C1(NC2CC2)CCC1 ZINC000662393266 412143074 /nfs/dbraw/zinc/14/30/74/412143074.db2.gz OGIZIVMEZYQGFV-UHFFFAOYSA-N 1 3 211.309 0.126 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000662442112 412175786 /nfs/dbraw/zinc/17/57/86/412175786.db2.gz QJPLFGZMECNPAR-ONGXEEELSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000665243409 412187651 /nfs/dbraw/zinc/18/76/51/412187651.db2.gz DABCFPYVAVJJSH-NHCYSSNCSA-N 1 3 209.337 0.421 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000662472190 412187893 /nfs/dbraw/zinc/18/78/93/412187893.db2.gz PNYAEUDQBFCNNH-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)NCC1([NH3+])CCCC1 ZINC000665246579 412190827 /nfs/dbraw/zinc/19/08/27/412190827.db2.gz JCJNYMYYTLKRTF-NWDGAFQWSA-N 1 3 241.379 0.615 20 0 BCADHO C[C@H](C[C@H]1COCCN1)NCC1([NH3+])CCCC1 ZINC000665246578 412191631 /nfs/dbraw/zinc/19/16/31/412191631.db2.gz JCJNYMYYTLKRTF-NEPJUHHUSA-N 1 3 241.379 0.615 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000662513648 412200276 /nfs/dbraw/zinc/20/02/76/412200276.db2.gz CIWYIFNPVRSVJV-UWVGGRQHSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000662513650 412200736 /nfs/dbraw/zinc/20/07/36/412200736.db2.gz CIWYIFNPVRSVJV-ZJUUUORDSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000662515556 412201417 /nfs/dbraw/zinc/20/14/17/412201417.db2.gz WMIRVVQPLDWRBK-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)NCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000662515433 412201897 /nfs/dbraw/zinc/20/18/97/412201897.db2.gz RLLPILMLDHRIRS-LBPRGKRZSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662519625 412202488 /nfs/dbraw/zinc/20/24/88/412202488.db2.gz SWMZYVMUIGPZAD-QWRGUYRKSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000665262007 412204634 /nfs/dbraw/zinc/20/46/34/412204634.db2.gz QYROEHKQPCDSNT-AXFHLTTASA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000665262007 412204635 /nfs/dbraw/zinc/20/46/35/412204635.db2.gz QYROEHKQPCDSNT-AXFHLTTASA-N 1 3 200.326 0.735 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000662539667 412208546 /nfs/dbraw/zinc/20/85/46/412208546.db2.gz HBKWPWNDDNTXHU-LPEHRKFASA-N 1 3 225.336 0.336 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662548395 412211100 /nfs/dbraw/zinc/21/11/00/412211100.db2.gz DXXYMIWMFKUOND-GXFFZTMASA-N 1 3 247.342 0.932 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000665272578 412213295 /nfs/dbraw/zinc/21/32/95/412213295.db2.gz HSHRPIRMVKWEPU-VWYCJHECSA-N 1 3 225.336 0.243 20 0 BCADHO [NH3+]CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662393957 412144727 /nfs/dbraw/zinc/14/47/27/412144727.db2.gz MFMVEVITFRXVOX-LBPRGKRZSA-N 1 3 233.315 0.686 20 0 BCADHO O=C(c1cccc2c1CNC2)N1CCC[NH2+]CC1 ZINC000662396006 412146134 /nfs/dbraw/zinc/14/61/34/412146134.db2.gz OKSUFCCVKUNZRE-UHFFFAOYSA-N 1 3 245.326 0.725 20 0 BCADHO [NH3+]C[C@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662403733 412150927 /nfs/dbraw/zinc/15/09/27/412150927.db2.gz IHSHNXHOXDMLHJ-SNVBAGLBSA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)N2CC[C@H]([NH3+])C2)CC2(CCC2)C1 ZINC000662404626 412151812 /nfs/dbraw/zinc/15/18/12/412151812.db2.gz PWMCSYKMGBWBTO-VIFPVBQESA-N 1 3 223.320 0.208 20 0 BCADHO CC(C)(C[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662411022 412155582 /nfs/dbraw/zinc/15/55/82/412155582.db2.gz PNWOIQPWSXJSHJ-UHFFFAOYSA-N 1 3 233.315 0.757 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)c1cccc2c1CNC2 ZINC000662412379 412155963 /nfs/dbraw/zinc/15/59/63/412155963.db2.gz PTJDEGWBHHYKBD-LLVKDONJSA-N 1 3 245.326 0.772 20 0 BCADHO C[C@H]1CN(C(=O)CC2([NH3+])CC2)C[C@H](C)N1 ZINC000662415598 412156960 /nfs/dbraw/zinc/15/69/60/412156960.db2.gz IAIPPIQVRKGSNP-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO N[C@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662413174 412157537 /nfs/dbraw/zinc/15/75/37/412157537.db2.gz MEDLCCILBHNUTI-LLVKDONJSA-N 1 3 233.315 0.684 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000662418842 412160537 /nfs/dbraw/zinc/16/05/37/412160537.db2.gz CFIWCRUVAZDXSW-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662419159 412160643 /nfs/dbraw/zinc/16/06/43/412160643.db2.gz DYVZKBCWSXQTNZ-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CO[C@H](CN[C@H](C)C[C@H](C)[NH3+])[C@H]1CCOC1 ZINC000665234628 412164306 /nfs/dbraw/zinc/16/43/06/412164306.db2.gz HLPALJMVDUVXLH-WHOHXGKFSA-N 1 3 230.352 0.753 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN(CC)C1CC1 ZINC000662438356 412174685 /nfs/dbraw/zinc/17/46/85/412174685.db2.gz ZPTIYKFLTNOUKM-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO COC[C@H](CC[NH2+][C@H](C)C1CNC1)OC ZINC000665234457 412174844 /nfs/dbraw/zinc/17/48/44/412174844.db2.gz DCFOJQUUZKBGQH-KOLCDFICSA-N 1 3 216.325 0.235 20 0 BCADHO COC[C@H](CCN[C@H](C)C1C[NH2+]C1)OC ZINC000665234457 412174847 /nfs/dbraw/zinc/17/48/47/412174847.db2.gz DCFOJQUUZKBGQH-KOLCDFICSA-N 1 3 216.325 0.235 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662655725 412258205 /nfs/dbraw/zinc/25/82/05/412258205.db2.gz RMNYDCOOTHHMCS-ZJUUUORDSA-N 1 3 227.352 0.748 20 0 BCADHO C[NH+](C)CCCNC(=O)C1(NC2CC2)CCC1 ZINC000662658512 412259671 /nfs/dbraw/zinc/25/96/71/412259671.db2.gz BBTLRRWMIIUVFZ-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000662669772 412265680 /nfs/dbraw/zinc/26/56/80/412265680.db2.gz UDSJKJMRENYTRB-XYPYZODXSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)N(C)C ZINC000662693042 412267487 /nfs/dbraw/zinc/26/74/87/412267487.db2.gz NCEFQGRFSHUJHN-ZJUUUORDSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@H]1C[C@H](NCCNc2cnccn2)CC[N@@H+]1C ZINC000361980185 412270146 /nfs/dbraw/zinc/27/01/46/412270146.db2.gz HZBRUZUAGDHFTP-NWDGAFQWSA-N 1 3 249.362 0.961 20 0 BCADHO C[C@H]1C[C@H](NCCNc2cnccn2)CC[N@H+]1C ZINC000361980185 412270150 /nfs/dbraw/zinc/27/01/50/412270150.db2.gz HZBRUZUAGDHFTP-NWDGAFQWSA-N 1 3 249.362 0.961 20 0 BCADHO CC[C@H](NC)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000662688301 412271715 /nfs/dbraw/zinc/27/17/15/412271715.db2.gz OAGYRNSJVNFPFO-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](NC)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000662688301 412271717 /nfs/dbraw/zinc/27/17/17/412271717.db2.gz OAGYRNSJVNFPFO-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000662693282 412273753 /nfs/dbraw/zinc/27/37/53/412273753.db2.gz IXAOZBYAXLCZGJ-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000662693598 412273767 /nfs/dbraw/zinc/27/37/67/412273767.db2.gz KDSBDOOCKAKCQX-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662695402 412274033 /nfs/dbraw/zinc/27/40/33/412274033.db2.gz ZPHGQGCNSABMHK-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](CC)[NH2+]C)C1 ZINC000662704216 412276752 /nfs/dbraw/zinc/27/67/52/412276752.db2.gz WRMDXHLUVHFRIH-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)N(C)C1CC1 ZINC000662711292 412279539 /nfs/dbraw/zinc/27/95/39/412279539.db2.gz AVAFQZOLFYRKSM-GUBZILKMSA-N 1 3 225.336 0.323 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714510 412281484 /nfs/dbraw/zinc/28/14/84/412281484.db2.gz IWSUGQBQVVRXMS-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1NCC1(C)C ZINC000662731110 412286994 /nfs/dbraw/zinc/28/69/94/412286994.db2.gz YNSJQZBVEHBFGM-ZJUUUORDSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000662557889 412216441 /nfs/dbraw/zinc/21/64/41/412216441.db2.gz PHBGWOBKLALAOM-VHSXEESVSA-N 1 3 213.325 0.099 20 0 BCADHO C[C@H](CCCCO)[NH2+]CC12CC(C1)CN2 ZINC000665278530 412220556 /nfs/dbraw/zinc/22/05/56/412220556.db2.gz HNFBAXADSLEMCU-VOMCLLRMSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCOC1 ZINC000665277501 412220630 /nfs/dbraw/zinc/22/06/30/412220630.db2.gz CUCLWIPLPFRPKU-QTAHKJALSA-N 1 3 210.321 0.753 20 0 BCADHO C[C@H]1C[C@H](NCC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000665277515 412221783 /nfs/dbraw/zinc/22/17/83/412221783.db2.gz DFDRRKNGBCCXRT-ATWGWHJKSA-N 1 3 235.375 0.953 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)NCC12CC(C1)C[NH2+]2 ZINC000665279463 412223155 /nfs/dbraw/zinc/22/31/55/412223155.db2.gz CWYCGTSFHGKZFI-CQLXCSJHSA-N 1 3 239.363 0.095 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000662570008 412224054 /nfs/dbraw/zinc/22/40/54/412224054.db2.gz FFWFRCUZXWLUDK-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCNC(C)(C)C1 ZINC000662573872 412226413 /nfs/dbraw/zinc/22/64/13/412226413.db2.gz WMMCMCUGLFQLJJ-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CNCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592124 412234290 /nfs/dbraw/zinc/23/42/90/412234290.db2.gz WRNBVMYULJLKOG-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)C1CCC1 ZINC000662605954 412237426 /nfs/dbraw/zinc/23/74/26/412237426.db2.gz VLEAEKRIONOGCF-SECBINFHSA-N 1 3 213.325 0.310 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C1CCN(C)CC1 ZINC000662605641 412237572 /nfs/dbraw/zinc/23/75/72/412237572.db2.gz PKWZVABWVAXSMH-UHFFFAOYSA-N 1 3 227.352 0.524 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)C1CCC1 ZINC000662605955 412237589 /nfs/dbraw/zinc/23/75/89/412237589.db2.gz VLEAEKRIONOGCF-VIFPVBQESA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000662607272 412238952 /nfs/dbraw/zinc/23/89/52/412238952.db2.gz KFFYAWJOHBVXAV-JTQLQIEISA-N 1 3 229.368 0.768 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611639 412240309 /nfs/dbraw/zinc/24/03/09/412240309.db2.gz BZBRKJLFDMUAJR-VIFPVBQESA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611588 412241019 /nfs/dbraw/zinc/24/10/19/412241019.db2.gz AVBQYTPQNCTITK-BDAKNGLRSA-N 1 3 215.341 0.556 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662619703 412244501 /nfs/dbraw/zinc/24/45/01/412244501.db2.gz NTZPUKMUPLZWRQ-DCAQKATOSA-N 1 3 241.379 0.959 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632325 412245818 /nfs/dbraw/zinc/24/58/18/412245818.db2.gz BZSZXKKHUYOPFZ-JQWIXIFHSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOCCF ZINC000665299601 412247407 /nfs/dbraw/zinc/24/74/07/412247407.db2.gz PZJKJMAWXNLGGT-MNOVXSKESA-N 1 3 218.316 0.950 20 0 BCADHO CCn1nccc1CN[C@H](CCC[NH3+])COC ZINC000665298883 412248139 /nfs/dbraw/zinc/24/81/39/412248139.db2.gz BUIAORWZXLUCDA-LLVKDONJSA-N 1 3 240.351 0.747 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCOCCF)C1 ZINC000665298931 412248277 /nfs/dbraw/zinc/24/82/77/412248277.db2.gz CHXVCZFRODBHAP-UWVGGRQHSA-N 1 3 204.289 0.832 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)S(C)(=O)=O ZINC000665298835 412248668 /nfs/dbraw/zinc/24/86/68/412248668.db2.gz ALLXJMWPVRBGPO-UTLUCORTSA-N 1 3 234.365 0.137 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662636009 412252676 /nfs/dbraw/zinc/25/26/76/412252676.db2.gz XHGCQDMDMPJKRV-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794183 412305500 /nfs/dbraw/zinc/30/55/00/412305500.db2.gz PKZLTKSSINAYPB-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](CC)[NH2+]C ZINC000662822282 412311609 /nfs/dbraw/zinc/31/16/09/412311609.db2.gz MAERTWMJUZFZJO-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662835665 412316201 /nfs/dbraw/zinc/31/62/01/412316201.db2.gz RJFCXXIHBMZABX-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662835666 412317547 /nfs/dbraw/zinc/31/75/47/412317547.db2.gz RJFCXXIHBMZABX-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)C(C)(C)C ZINC000662841840 412318318 /nfs/dbraw/zinc/31/83/18/412318318.db2.gz CEDALFJBZLESKY-MRVPVSSYSA-N 1 3 215.341 0.556 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C1(N)CC2(CCC2)C1 ZINC000662842811 412318703 /nfs/dbraw/zinc/31/87/03/412318703.db2.gz DCDZNJPYYHJQSI-UHFFFAOYSA-N 1 3 239.363 0.844 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C1(N)CCCC1 ZINC000662842055 412318889 /nfs/dbraw/zinc/31/88/89/412318889.db2.gz FGPWJUCJJXKYAZ-UHFFFAOYSA-N 1 3 213.325 0.454 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000662854720 412324106 /nfs/dbraw/zinc/32/41/06/412324106.db2.gz UNPKHYIOFGKGOZ-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000662854720 412324108 /nfs/dbraw/zinc/32/41/08/412324108.db2.gz UNPKHYIOFGKGOZ-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000662854721 412324652 /nfs/dbraw/zinc/32/46/52/412324652.db2.gz UNPKHYIOFGKGOZ-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(N)CC2)C1 ZINC000662854721 412324655 /nfs/dbraw/zinc/32/46/55/412324655.db2.gz UNPKHYIOFGKGOZ-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCCC2)CCCC1 ZINC000662864758 412329432 /nfs/dbraw/zinc/32/94/32/412329432.db2.gz FYBHJDDHUVSLDS-UHFFFAOYSA-N 1 3 225.336 0.646 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)[C@H](C[NH3+])C1 ZINC000662896236 412338411 /nfs/dbraw/zinc/33/84/11/412338411.db2.gz ISJVOYPINPEUCU-HRDYMLBCSA-N 1 3 249.305 0.555 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132888663 412343467 /nfs/dbraw/zinc/34/34/67/412343467.db2.gz LFCLZMVLVCROBQ-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132888663 412343470 /nfs/dbraw/zinc/34/34/70/412343470.db2.gz LFCLZMVLVCROBQ-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924020 412346881 /nfs/dbraw/zinc/34/68/81/412346881.db2.gz WVQPVSYFSSBWKB-JJOYANBFSA-N 1 3 237.347 0.243 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)C[NH2+]C ZINC000662953950 412352065 /nfs/dbraw/zinc/35/20/65/412352065.db2.gz RRGVELSHVZRWFY-SCZZXKLOSA-N 1 3 201.314 0.228 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662968658 412359893 /nfs/dbraw/zinc/35/98/93/412359893.db2.gz FYDUTRBNVXPBKB-SNVBAGLBSA-N 1 3 247.342 0.670 20 0 BCADHO CNCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972857 412361992 /nfs/dbraw/zinc/36/19/92/412361992.db2.gz SEVXXJBDAKSDCR-UHFFFAOYSA-N 1 3 239.363 0.444 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748081 412290040 /nfs/dbraw/zinc/29/00/40/412290040.db2.gz KZWFTBVMVVXWRW-OPRDCNLKSA-N 1 3 231.315 0.272 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747900 412290439 /nfs/dbraw/zinc/29/04/39/412290439.db2.gz GFMVRPNWCARWJG-IWSPIJDZSA-N 1 3 217.288 0.012 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754360 412291195 /nfs/dbraw/zinc/29/11/95/412291195.db2.gz LMQOSCTXAVMFGX-ONGXEEELSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+][C@H](CNC(=O)C1(NC2CC2)CCC1)C1CC1 ZINC000662763356 412293527 /nfs/dbraw/zinc/29/35/27/412293527.db2.gz YCZZOECLFXTYDO-LLVKDONJSA-N 1 3 237.347 0.515 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)c1cccc2c1CCNC2 ZINC000662763534 412293823 /nfs/dbraw/zinc/29/38/23/412293823.db2.gz FHTKOMLYLRKNFS-JTQLQIEISA-N 1 3 247.342 0.799 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000662765429 412295206 /nfs/dbraw/zinc/29/52/06/412295206.db2.gz ZRYUPQLGRNIKQR-CZMCAQCFSA-N 1 3 246.314 0.403 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000662776697 412298849 /nfs/dbraw/zinc/29/88/49/412298849.db2.gz YPTOPQBHNCXHGS-UTLUCORTSA-N 1 3 213.325 0.193 20 0 BCADHO CC1(C)CC[NH2+][C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000662777422 412299067 /nfs/dbraw/zinc/29/90/67/412299067.db2.gz BRUMQLPGZFLVJV-GUBZILKMSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000662782601 412300611 /nfs/dbraw/zinc/30/06/11/412300611.db2.gz FBVQFLNCMGDNOG-SNVBAGLBSA-N 1 3 239.363 0.892 20 0 BCADHO CN(C(=O)C[C@H](N)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178806829 172313741 /nfs/dbraw/zinc/31/37/41/172313741.db2.gz RIHHHSIITWBOJV-STQMWFEESA-N 1 3 247.342 0.897 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)C1(N)CCCC1 ZINC000037615971 172421974 /nfs/dbraw/zinc/42/19/74/172421974.db2.gz ZZDVVOYYNOPORE-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598163 172461082 /nfs/dbraw/zinc/46/10/82/172461082.db2.gz MXUFKGFIYDYYLN-WCQYABFASA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC[C@@H]1CC[NH+]1CCC(O)CC1 ZINC000305146957 173026758 /nfs/dbraw/zinc/02/67/58/173026758.db2.gz YQWCFMIEJIZHBQ-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@H+](C)C1(CO)CC1 ZINC000353021012 173050427 /nfs/dbraw/zinc/05/04/27/173050427.db2.gz JENVSJGRHQUOJQ-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+](C)C1(CO)CC1 ZINC000353021012 173050430 /nfs/dbraw/zinc/05/04/30/173050430.db2.gz JENVSJGRHQUOJQ-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040673647 173044044 /nfs/dbraw/zinc/04/40/44/173044044.db2.gz DMQAXSAXUNVKPW-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226394219 173056239 /nfs/dbraw/zinc/05/62/39/173056239.db2.gz GPANPSBEYOBSPM-JQWIXIFHSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000227333548 173058165 /nfs/dbraw/zinc/05/81/65/173058165.db2.gz UBZGJGYVHUHOCN-WDEREUQCSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000227333548 173058168 /nfs/dbraw/zinc/05/81/68/173058168.db2.gz UBZGJGYVHUHOCN-WDEREUQCSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262927 173059386 /nfs/dbraw/zinc/05/93/86/173059386.db2.gz RRHFEBNWZHQZOO-QWRGUYRKSA-N 1 3 237.347 0.563 20 0 BCADHO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262927 173059388 /nfs/dbraw/zinc/05/93/88/173059388.db2.gz RRHFEBNWZHQZOO-QWRGUYRKSA-N 1 3 237.347 0.563 20 0 BCADHO C[N@@H+]1CC[C@@]2(CCN(CCC3OCCO3)C2)C1 ZINC000366535292 173139956 /nfs/dbraw/zinc/13/99/56/173139956.db2.gz OLXJCVSVWRUXHU-CYBMUJFWSA-N 1 3 240.347 0.777 20 0 BCADHO C[N@H+]1CC[C@@]2(CCN(CCC3OCCO3)C2)C1 ZINC000366535292 173139958 /nfs/dbraw/zinc/13/99/58/173139958.db2.gz OLXJCVSVWRUXHU-CYBMUJFWSA-N 1 3 240.347 0.777 20 0 BCADHO CN1C[C@H]([NH2+][C@H]2CCCC[C@H]2CN)CCC1=O ZINC000250640027 173195666 /nfs/dbraw/zinc/19/56/66/173195666.db2.gz SWFMGFZMEUDIFH-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CN1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CCC1=O ZINC000250640027 173195668 /nfs/dbraw/zinc/19/56/68/173195668.db2.gz SWFMGFZMEUDIFH-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CNC(=[NH2+])N1CC[C@H](N2CCCCC2)C1 ZINC000062985230 173209137 /nfs/dbraw/zinc/20/91/37/173209137.db2.gz SOVBEQYIPWCMBU-JTQLQIEISA-N 1 3 210.325 0.701 20 0 BCADHO CNC(=O)CCC[N@H+](C)CC(C)(C)N ZINC000308995125 173237895 /nfs/dbraw/zinc/23/78/95/173237895.db2.gz MHSNBQZLKYQOHO-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CNC(=O)CCC[N@@H+](C)CC(C)(C)N ZINC000308995125 173237897 /nfs/dbraw/zinc/23/78/97/173237897.db2.gz MHSNBQZLKYQOHO-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271872371 173280102 /nfs/dbraw/zinc/28/01/02/173280102.db2.gz MXTCXSKHFOPKMW-SNVBAGLBSA-N 1 3 225.336 0.363 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000271872369 173281687 /nfs/dbraw/zinc/28/16/87/173281687.db2.gz MXTCXSKHFOPKMW-JTQLQIEISA-N 1 3 225.336 0.363 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]CCCN1CCCC1 ZINC000309983662 173281727 /nfs/dbraw/zinc/28/17/27/173281727.db2.gz XIJQEOKGMNASEG-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CNC(=O)C[C@H](C)NCCC[NH+]1CCCC1 ZINC000309983662 173281728 /nfs/dbraw/zinc/28/17/28/173281728.db2.gz XIJQEOKGMNASEG-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]CC(=O)N(CCN(C)C)C1CCCC1 ZINC000037825051 173325061 /nfs/dbraw/zinc/32/50/61/173325061.db2.gz AUQDLBASPKSZGQ-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000193131026 173325489 /nfs/dbraw/zinc/32/54/89/173325489.db2.gz DCWOANOVQADHIX-ZJUUUORDSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000193131026 173325490 /nfs/dbraw/zinc/32/54/90/173325490.db2.gz DCWOANOVQADHIX-ZJUUUORDSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824266 173326674 /nfs/dbraw/zinc/32/66/74/173326674.db2.gz FVXHOVTWGRWNJE-NSHDSACASA-N 1 3 225.336 0.293 20 0 BCADHO CNCC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000374464637 173328199 /nfs/dbraw/zinc/32/81/99/173328199.db2.gz KUUFGECJGADFES-OLZOCXBDSA-N 1 3 247.342 0.407 20 0 BCADHO CNCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000237220775 173329313 /nfs/dbraw/zinc/32/93/13/173329313.db2.gz GWYNPEHUCQNGLG-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CNCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000237220775 173329314 /nfs/dbraw/zinc/32/93/14/173329314.db2.gz GWYNPEHUCQNGLG-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973213 173343593 /nfs/dbraw/zinc/34/35/93/173343593.db2.gz QRHMJFHBDYNZTA-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000037812650 173344010 /nfs/dbraw/zinc/34/40/10/173344010.db2.gz GFARNKOIMPLEBX-NSHDSACASA-N 1 3 225.336 0.293 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H](C)N(C)C ZINC000038089338 173344499 /nfs/dbraw/zinc/34/44/99/173344499.db2.gz VBYCHZWCRAEEBB-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000237205893 173344571 /nfs/dbraw/zinc/34/45/71/173344571.db2.gz IQJZOSRFTMQQPE-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000037610783 173344614 /nfs/dbraw/zinc/34/46/14/173344614.db2.gz JIQYHIQTBLEGBJ-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CCCN1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438676 173346939 /nfs/dbraw/zinc/34/69/39/173346939.db2.gz XQRVOPHSFSWGFJ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438676 173346940 /nfs/dbraw/zinc/34/69/40/173346940.db2.gz XQRVOPHSFSWGFJ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000042438676 173346942 /nfs/dbraw/zinc/34/69/42/173346942.db2.gz XQRVOPHSFSWGFJ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000070304849 173352343 /nfs/dbraw/zinc/35/23/43/173352343.db2.gz SMCBFJKKZKIGDO-GFCCVEGCSA-N 1 3 235.331 0.234 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250748088 173370315 /nfs/dbraw/zinc/37/03/15/173370315.db2.gz OIHOJSJBYBJDDH-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250748088 173370317 /nfs/dbraw/zinc/37/03/17/173370317.db2.gz OIHOJSJBYBJDDH-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@H]2CCCOC2)C1 ZINC000250748088 173370318 /nfs/dbraw/zinc/37/03/18/173370318.db2.gz OIHOJSJBYBJDDH-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000092133673 173374059 /nfs/dbraw/zinc/37/40/59/173374059.db2.gz XXKKDXNNWRLNKR-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000092132817 173374976 /nfs/dbraw/zinc/37/49/76/173374976.db2.gz AXNCPKAZJCHMCE-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]C[C@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000234406834 173381816 /nfs/dbraw/zinc/38/18/16/173381816.db2.gz CCXWOSVGSYBAKA-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000234406834 173381817 /nfs/dbraw/zinc/38/18/17/173381817.db2.gz CCXWOSVGSYBAKA-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000234406834 173381818 /nfs/dbraw/zinc/38/18/18/173381818.db2.gz CCXWOSVGSYBAKA-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO COC1CC([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000336754118 174017809 /nfs/dbraw/zinc/01/78/09/174017809.db2.gz FJALHZSLCNCKQF-UHFFFAOYSA-N 1 3 228.336 0.210 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000361023763 174278572 /nfs/dbraw/zinc/27/85/72/174278572.db2.gz OQQPITJIDSLWRF-QWHCGFSZSA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000361023763 174278574 /nfs/dbraw/zinc/27/85/74/174278574.db2.gz OQQPITJIDSLWRF-QWHCGFSZSA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361023763 174278575 /nfs/dbraw/zinc/27/85/75/174278575.db2.gz OQQPITJIDSLWRF-QWHCGFSZSA-N 1 3 243.395 0.494 20 0 BCADHO COCCNCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000237138919 174330586 /nfs/dbraw/zinc/33/05/86/174330586.db2.gz SNSPVGNPGOTIFV-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO COCCOCCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000122324681 174354829 /nfs/dbraw/zinc/35/48/29/174354829.db2.gz VAPYMSDQXMMPJF-QWRGUYRKSA-N 1 3 216.325 0.319 20 0 BCADHO COCCOCCN[C@](C)(C[NH3+])C(C)C ZINC000308979565 174359581 /nfs/dbraw/zinc/35/95/81/174359581.db2.gz RTNONOHGQUCQAZ-LLVKDONJSA-N 1 3 218.341 0.612 20 0 BCADHO COCC[C@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000302682279 174401823 /nfs/dbraw/zinc/40/18/23/174401823.db2.gz QKDCDAFCQIHTHV-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC(F)F)[NH+](C)C ZINC000308872355 175725572 /nfs/dbraw/zinc/72/55/72/175725572.db2.gz ZMOVRQJEMOZNLF-BQBZGAKWSA-N 1 3 223.267 0.035 20 0 BCADHO C[C@@H]1CCC[N@H+](CCn2cccn2)[C@H]1CN ZINC000251599632 176100003 /nfs/dbraw/zinc/10/00/03/176100003.db2.gz BQSZEHURVYFZKB-NEPJUHHUSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCn2cccn2)[C@H]1CN ZINC000251599632 176100005 /nfs/dbraw/zinc/10/00/05/176100005.db2.gz BQSZEHURVYFZKB-NEPJUHHUSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@@H]1CC[N@H+](CCN2CCNCC2)[C@@H]1C ZINC000335653178 176171168 /nfs/dbraw/zinc/17/11/68/176171168.db2.gz WCIRDCCNTNBJFF-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1CC[N@@H+](CCN2CCNCC2)[C@@H]1C ZINC000335653178 176171170 /nfs/dbraw/zinc/17/11/70/176171170.db2.gz WCIRDCCNTNBJFF-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675091 176172723 /nfs/dbraw/zinc/17/27/23/176172723.db2.gz HHPVRCIECFWPOG-ZYHUDNBSSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675091 176172725 /nfs/dbraw/zinc/17/27/25/176172725.db2.gz HHPVRCIECFWPOG-ZYHUDNBSSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCCC1 ZINC000186836627 176185268 /nfs/dbraw/zinc/18/52/68/176185268.db2.gz RRSNQJGBDHOSEU-ZJUUUORDSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127108314 176185968 /nfs/dbraw/zinc/18/59/68/176185968.db2.gz JMQVVGKPGUMSQK-HBIQZDMRSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903685 176186391 /nfs/dbraw/zinc/18/63/91/176186391.db2.gz YZOBHOSLXBPJLL-GHMZBOCLSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN(C)C2CC2)C1 ZINC000127159314 176186551 /nfs/dbraw/zinc/18/65/51/176186551.db2.gz SJBLJAHBVNDXMC-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000367509396 176187001 /nfs/dbraw/zinc/18/70/01/176187001.db2.gz ZCCZLRZWMCRNER-BFLSOPEQSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1CCCNC1 ZINC000043493605 176221936 /nfs/dbraw/zinc/22/19/36/176221936.db2.gz NQBDEPUFWOLEAX-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1CCCNC1 ZINC000043493605 176221937 /nfs/dbraw/zinc/22/19/37/176221937.db2.gz NQBDEPUFWOLEAX-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC(=O)N(C)C1 ZINC000336757935 176269769 /nfs/dbraw/zinc/26/97/69/176269769.db2.gz ZIEMXAUMDDANJW-VWYCJHECSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC(=O)N(C)C1 ZINC000336757935 176269770 /nfs/dbraw/zinc/26/97/70/176269770.db2.gz ZIEMXAUMDDANJW-VWYCJHECSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNC(=O)C1CC1 ZINC000358233423 176270504 /nfs/dbraw/zinc/27/05/04/176270504.db2.gz OFIMMJQPHCFYLI-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNC(=O)C1CC1 ZINC000358233423 176270506 /nfs/dbraw/zinc/27/05/06/176270506.db2.gz OFIMMJQPHCFYLI-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC(=O)NC1 ZINC000104341982 176278386 /nfs/dbraw/zinc/27/83/86/176278386.db2.gz NCIBPKFXBZASDC-KKOKHZNYSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC(=O)NC1 ZINC000104341982 176278387 /nfs/dbraw/zinc/27/83/87/176278387.db2.gz NCIBPKFXBZASDC-KKOKHZNYSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)CCS1 ZINC000123409759 176291030 /nfs/dbraw/zinc/29/10/30/176291030.db2.gz VXFKWTGEVLNBPE-LLVKDONJSA-N 1 3 229.393 0.329 20 0 BCADHO C[C@@H]1COCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000300859977 176340071 /nfs/dbraw/zinc/34/00/71/176340071.db2.gz NKAYJSVEMJZNGO-NEPJUHHUSA-N 1 3 230.352 0.579 20 0 BCADHO C[C@@H]1CSC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000309457671 176353225 /nfs/dbraw/zinc/35/32/25/176353225.db2.gz NZNWMGZEQSUTRU-UTUOFQBUSA-N 1 3 244.404 0.784 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1C ZINC000237465575 176371945 /nfs/dbraw/zinc/37/19/45/176371945.db2.gz QJGNEKICBIXYTA-ZJUUUORDSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1C ZINC000237465575 176371946 /nfs/dbraw/zinc/37/19/46/176371946.db2.gz QJGNEKICBIXYTA-ZJUUUORDSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1C ZINC000132941507 176372402 /nfs/dbraw/zinc/37/24/02/176372402.db2.gz HTUDXGYCEJBVNO-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCC2)CC[N@H+]1C ZINC000132941507 176372404 /nfs/dbraw/zinc/37/24/04/176372404.db2.gz HTUDXGYCEJBVNO-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H]1C ZINC000373068809 176460043 /nfs/dbraw/zinc/46/00/43/176460043.db2.gz GUSIGUTVCNCNLO-ZPFDUUQYSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](N)Cc1ccccc1 ZINC000289315365 176494202 /nfs/dbraw/zinc/49/42/02/176494202.db2.gz UDKYKRCNECYJLL-KGYLQXTDSA-N 1 3 247.342 0.505 20 0 BCADHO C[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCCN1 ZINC000180897154 176525277 /nfs/dbraw/zinc/52/52/77/176525277.db2.gz CSBDGWHPHDGWQA-AAEUAGOBSA-N 1 3 239.363 0.634 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCC[C@H]1CN(C)C ZINC000061644096 176655628 /nfs/dbraw/zinc/65/56/28/176655628.db2.gz RDFRXSRAFZFOBN-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1CN(C)C ZINC000061645179 176755828 /nfs/dbraw/zinc/75/58/28/176755828.db2.gz UMFUALGFYCXYLX-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237509950 177075941 /nfs/dbraw/zinc/07/59/41/177075941.db2.gz GJXNVXFLCHEJFT-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCC[N@H+](CCCCNC(=O)CN)C1 ZINC000237574834 177097720 /nfs/dbraw/zinc/09/77/20/177097720.db2.gz AMGRDQSTTCMEAS-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)CN)C1 ZINC000237574834 177097722 /nfs/dbraw/zinc/09/77/22/177097722.db2.gz AMGRDQSTTCMEAS-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO C[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670573 177143388 /nfs/dbraw/zinc/14/33/88/177143388.db2.gz UFAYGOWCKXXSTQ-LOWVWBTDSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675089 177162615 /nfs/dbraw/zinc/16/26/15/177162615.db2.gz HHPVRCIECFWPOG-JQWIXIFHSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675089 177162616 /nfs/dbraw/zinc/16/26/16/177162616.db2.gz HHPVRCIECFWPOG-JQWIXIFHSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCN1 ZINC000131879859 177221834 /nfs/dbraw/zinc/22/18/34/177221834.db2.gz KPBCFWZXIZCSBO-AAEUAGOBSA-N 1 3 247.342 0.377 20 0 BCADHO C[C@H]1CN(C)C[C@H]1[NH2+]CCOCCN(C)C ZINC000336777717 177237224 /nfs/dbraw/zinc/23/72/24/177237224.db2.gz JIEFUJYDPPAGEF-NWDGAFQWSA-N 1 3 229.368 0.104 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875589 177237741 /nfs/dbraw/zinc/23/77/41/177237741.db2.gz MFPJCHPLBNWYDW-WDEREUQCSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875589 177237743 /nfs/dbraw/zinc/23/77/43/177237743.db2.gz MFPJCHPLBNWYDW-WDEREUQCSA-N 1 3 239.363 0.395 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCF ZINC000668302749 487637265 /nfs/dbraw/zinc/63/72/65/487637265.db2.gz ORTONCBWRNIQEO-UHFFFAOYSA-N 1 3 247.358 0.688 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000227455407 177280305 /nfs/dbraw/zinc/28/03/05/177280305.db2.gz MHILTEGARHRASF-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000227455407 177280306 /nfs/dbraw/zinc/28/03/06/177280306.db2.gz MHILTEGARHRASF-AEJSXWLSSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H]1COCC[C@H]1[NH2+]CCOCCN(C)C ZINC000300859985 177296479 /nfs/dbraw/zinc/29/64/79/177296479.db2.gz NKAYJSVEMJZNGO-NWDGAFQWSA-N 1 3 230.352 0.579 20 0 BCADHO C[C@H]1C[C@H](C)C[NH+](CCN2CCNCC2)C1 ZINC000037482551 177358659 /nfs/dbraw/zinc/35/86/59/177358659.db2.gz XJFYXRDCBCSBDN-STQMWFEESA-N 1 3 225.380 0.870 20 0 BCADHO C[C@H]1C[C@H]1C[NH2+]CC1(O)CCN(C)CC1 ZINC000309099411 177382049 /nfs/dbraw/zinc/38/20/49/177382049.db2.gz FBQWBZUYMKRCLD-QWRGUYRKSA-N 1 3 212.337 0.689 20 0 BCADHO COCCOCCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383541194 487638998 /nfs/dbraw/zinc/63/89/98/487638998.db2.gz UJVBYCPGDVGSJO-STQMWFEESA-N 1 3 242.363 0.710 20 0 BCADHO COCCOCC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000383541194 487639005 /nfs/dbraw/zinc/63/90/05/487639005.db2.gz UJVBYCPGDVGSJO-STQMWFEESA-N 1 3 242.363 0.710 20 0 BCADHO COCCOCC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000383541194 487639012 /nfs/dbraw/zinc/63/90/12/487639012.db2.gz UJVBYCPGDVGSJO-STQMWFEESA-N 1 3 242.363 0.710 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000383598911 487644936 /nfs/dbraw/zinc/64/49/36/487644936.db2.gz PQUZFQVBQWRNLX-OLZOCXBDSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000383598911 487644940 /nfs/dbraw/zinc/64/49/40/487644940.db2.gz PQUZFQVBQWRNLX-OLZOCXBDSA-N 1 3 244.379 0.534 20 0 BCADHO CN(C)C/C=C\C(=O)NC(C)(C)C[NH+](C)C ZINC000493309851 226183145 /nfs/dbraw/zinc/18/31/45/226183145.db2.gz ZADLMBXQOOEUMH-FPLPWBNLSA-N 1 3 227.352 0.561 20 0 BCADHO CN(C)C/C=C/C(=O)NC(C)(C)C[NH+](C)C ZINC000493309850 226183234 /nfs/dbraw/zinc/18/32/34/226183234.db2.gz ZADLMBXQOOEUMH-BQYQJAHWSA-N 1 3 227.352 0.561 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000494660664 226267806 /nfs/dbraw/zinc/26/78/06/226267806.db2.gz GGZQTZVBUQHMRD-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCCN(C)CC1 ZINC000383637284 487654132 /nfs/dbraw/zinc/65/41/32/487654132.db2.gz YOVVJYZEFYULMG-CYBMUJFWSA-N 1 3 243.395 0.325 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCCN(C)CC1 ZINC000383637284 487654138 /nfs/dbraw/zinc/65/41/38/487654138.db2.gz YOVVJYZEFYULMG-CYBMUJFWSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@H+](C)CC)C[C@H]1C ZINC000383659659 487658744 /nfs/dbraw/zinc/65/87/44/487658744.db2.gz LGCKMWIHJLINDI-CHWSQXEVSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000383659659 487658752 /nfs/dbraw/zinc/65/87/52/487658752.db2.gz LGCKMWIHJLINDI-CHWSQXEVSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCCCC[C@H]1CO ZINC000383660678 487658928 /nfs/dbraw/zinc/65/89/28/487658928.db2.gz LNBVKDSQKRLDGS-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCCCC[C@H]1CO ZINC000383660678 487658929 /nfs/dbraw/zinc/65/89/29/487658929.db2.gz LNBVKDSQKRLDGS-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678259 487660005 /nfs/dbraw/zinc/66/00/05/487660005.db2.gz QAKJOYJECHYFAV-JHJVBQTASA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000383678259 487660008 /nfs/dbraw/zinc/66/00/08/487660008.db2.gz QAKJOYJECHYFAV-JHJVBQTASA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000662621528 487675653 /nfs/dbraw/zinc/67/56/53/487675653.db2.gz UVINQLYJTLUCCV-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000662621528 487675657 /nfs/dbraw/zinc/67/56/57/487675657.db2.gz UVINQLYJTLUCCV-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CN(CCCc1cncn1C)C1CC([NH3+])C1 ZINC000314440971 487686789 /nfs/dbraw/zinc/68/67/89/487686789.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 1 3 222.336 0.774 20 0 BCADHO Cn1cncc1CCC[N@H+](C)C1CC(N)C1 ZINC000314440971 487686792 /nfs/dbraw/zinc/68/67/92/487686792.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 1 3 222.336 0.774 20 0 BCADHO Cn1cncc1CCC[N@@H+](C)C1CC(N)C1 ZINC000314440971 487686796 /nfs/dbraw/zinc/68/67/96/487686796.db2.gz XJLXCWXBSPRNNS-UHFFFAOYSA-N 1 3 222.336 0.774 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)N(C)C ZINC000653112646 487687353 /nfs/dbraw/zinc/68/73/53/487687353.db2.gz FJNCPJBGYXMZIX-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662662281 487687590 /nfs/dbraw/zinc/68/75/90/487687590.db2.gz PAILJYMFSGIGKQ-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCC[NH2+]CC1 ZINC000653142313 487701900 /nfs/dbraw/zinc/70/19/00/487701900.db2.gz GWKSMWJERUFHFR-VWYCJHECSA-N 1 3 243.326 0.192 20 0 BCADHO CN1CCC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669403037 487705065 /nfs/dbraw/zinc/70/50/65/487705065.db2.gz GDBVQFFTERUPFR-LLVKDONJSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCN ZINC000336691307 487718864 /nfs/dbraw/zinc/71/88/64/487718864.db2.gz PSSNNNYIHWDHMV-MNOVXSKESA-N 1 3 200.326 0.961 20 0 BCADHO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCN ZINC000336691307 487718869 /nfs/dbraw/zinc/71/88/69/487718869.db2.gz PSSNNNYIHWDHMV-MNOVXSKESA-N 1 3 200.326 0.961 20 0 BCADHO C[C@@H](O)C[C@@H]1CCCCN1CCC[NH3+] ZINC000336691307 487718874 /nfs/dbraw/zinc/71/88/74/487718874.db2.gz PSSNNNYIHWDHMV-MNOVXSKESA-N 1 3 200.326 0.961 20 0 BCADHO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCCN ZINC000336691308 487719096 /nfs/dbraw/zinc/71/90/96/487719096.db2.gz PSSNNNYIHWDHMV-QWRGUYRKSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCCN ZINC000336691308 487719101 /nfs/dbraw/zinc/71/91/01/487719101.db2.gz PSSNNNYIHWDHMV-QWRGUYRKSA-N 1 3 200.326 0.961 20 0 BCADHO C[C@H](O)C[C@@H]1CCCCN1CCC[NH3+] ZINC000336691308 487719103 /nfs/dbraw/zinc/71/91/03/487719103.db2.gz PSSNNNYIHWDHMV-QWRGUYRKSA-N 1 3 200.326 0.961 20 0 BCADHO CCN(CCO)CC[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000681108861 487728707 /nfs/dbraw/zinc/72/87/07/487728707.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000681108861 487728713 /nfs/dbraw/zinc/72/87/13/487728713.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000681108861 487728721 /nfs/dbraw/zinc/72/87/21/487728721.db2.gz NHUZSIYEBQYOEM-OLZOCXBDSA-N 1 3 243.395 0.373 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000226399033 487734279 /nfs/dbraw/zinc/73/42/79/487734279.db2.gz ABJQLUIEUSCPPD-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@H](C)N(C)C1CC1 ZINC000226399514 487734552 /nfs/dbraw/zinc/73/45/52/487734552.db2.gz JMOQNJYSCPWOTJ-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403706 487734938 /nfs/dbraw/zinc/73/49/38/487734938.db2.gz HOZUDCICINUDKJ-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403706 487734942 /nfs/dbraw/zinc/73/49/42/487734942.db2.gz HOZUDCICINUDKJ-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO C[NH2+]CCCN1CCCC[C@H]1CCO ZINC000042409297 487741573 /nfs/dbraw/zinc/74/15/73/487741573.db2.gz DMGKVQNLSYFSQX-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@H]1CCO ZINC000042409297 487741577 /nfs/dbraw/zinc/74/15/77/487741577.db2.gz DMGKVQNLSYFSQX-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO CNCCC[N@H+]1CCCC[C@H]1CCO ZINC000042409297 487741580 /nfs/dbraw/zinc/74/15/80/487741580.db2.gz DMGKVQNLSYFSQX-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000381305317 487747331 /nfs/dbraw/zinc/74/73/31/487747331.db2.gz JRMBQCPCBDCADV-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357412277 487766885 /nfs/dbraw/zinc/76/68/85/487766885.db2.gz KUMCHVKIFFQNRC-NEPJUHHUSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357412277 487766889 /nfs/dbraw/zinc/76/68/89/487766889.db2.gz KUMCHVKIFFQNRC-NEPJUHHUSA-N 1 3 241.379 0.926 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000662965776 487774788 /nfs/dbraw/zinc/77/47/88/487774788.db2.gz NVCNRWFCQFOBON-GARJFASQSA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309211833 487780003 /nfs/dbraw/zinc/78/00/03/487780003.db2.gz SODDOZGTULRSPL-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309211833 487780004 /nfs/dbraw/zinc/78/00/04/487780004.db2.gz SODDOZGTULRSPL-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000309211010 487780115 /nfs/dbraw/zinc/78/01/15/487780115.db2.gz DNHJEJMUTVSYFS-WOPDTQHZSA-N 1 3 230.352 0.143 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000309211010 487780118 /nfs/dbraw/zinc/78/01/18/487780118.db2.gz DNHJEJMUTVSYFS-WOPDTQHZSA-N 1 3 230.352 0.143 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N(C)C ZINC000252614576 487827774 /nfs/dbraw/zinc/82/77/74/487827774.db2.gz YGPYVFZHTPLTRH-GUBZILKMSA-N 1 3 213.325 0.051 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000647708422 487829304 /nfs/dbraw/zinc/82/93/04/487829304.db2.gz LKUNPAMZLFFILK-JGVFFNPUSA-N 1 3 235.278 0.309 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000647708424 487829167 /nfs/dbraw/zinc/82/91/67/487829167.db2.gz LKUNPAMZLFFILK-YUMQZZPRSA-N 1 3 235.278 0.309 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000252850700 487835530 /nfs/dbraw/zinc/83/55/30/487835530.db2.gz HRQKSDOHEWQJQU-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO Cc1ccc(C[C@@H](CO)NCCC[NH3+])cc1 ZINC000415103867 487837802 /nfs/dbraw/zinc/83/78/02/487837802.db2.gz KFYSVPDLGACKOT-ZDUSSCGKSA-N 1 3 222.332 0.837 20 0 BCADHO COc1ccc2c(c1)OC[C@H](NCCC[NH3+])C2 ZINC000415113001 487838323 /nfs/dbraw/zinc/83/83/23/487838323.db2.gz SDNFMQKZFNQDAQ-LLVKDONJSA-N 1 3 236.315 0.937 20 0 BCADHO C[C@H](CO)[N@H+](CCCN)CC1CCC1 ZINC000415111874 487838428 /nfs/dbraw/zinc/83/84/28/487838428.db2.gz UVECORGTVNIYDF-SNVBAGLBSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H](CO)[N@@H+](CCCN)CC1CCC1 ZINC000415111874 487838432 /nfs/dbraw/zinc/83/84/32/487838432.db2.gz UVECORGTVNIYDF-SNVBAGLBSA-N 1 3 200.326 0.818 20 0 BCADHO CN(CCC[NH3+])C(C)(C)CN1CCOCC1 ZINC000415144656 487838975 /nfs/dbraw/zinc/83/89/75/487838975.db2.gz VRUPWFBEWFPPFW-UHFFFAOYSA-N 1 3 229.368 0.378 20 0 BCADHO CCN(CC(=O)N(C)C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000666620268 487846097 /nfs/dbraw/zinc/84/60/97/487846097.db2.gz ZSGKUCXYTFNMJE-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089747556 487851813 /nfs/dbraw/zinc/85/18/13/487851813.db2.gz VHIRDNWHPIRYBV-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H]1C ZINC000373068803 487857596 /nfs/dbraw/zinc/85/75/96/487857596.db2.gz GUSIGUTVCNCNLO-MRBYEJRBSA-N 1 3 237.347 0.195 20 0 BCADHO COC[C@H](CN1CC[C@@H]([NH3+])C[C@@H]1C)OC ZINC000234703147 487859846 /nfs/dbraw/zinc/85/98/46/487859846.db2.gz HNJBGWCCWDETKE-AXFHLTTASA-N 1 3 216.325 0.459 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000569354217 322963149 /nfs/dbraw/zinc/96/31/49/322963149.db2.gz GEZDYPGFMTUNJJ-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000569603562 322972524 /nfs/dbraw/zinc/97/25/24/322972524.db2.gz RJSASJYUNOAJFW-DCAQKATOSA-N 1 3 227.352 0.617 20 0 BCADHO C[NH+]1CCC(NCc2ccc(=O)[nH]c2)CC1 ZINC000083351451 487906395 /nfs/dbraw/zinc/90/63/95/487906395.db2.gz DAZFQOIHMBTANZ-UHFFFAOYSA-N 1 3 221.304 0.559 20 0 BCADHO C[N@H+](C[C@@H](O)CN1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779208 487907568 /nfs/dbraw/zinc/90/75/68/487907568.db2.gz HNASVXNAPMUFOP-NTZNESFSSA-N 1 3 240.347 0.020 20 0 BCADHO C[N@@H+](C[C@@H](O)CN1C[C@@H]2COC[C@@H]2C1)C1CC1 ZINC000634779208 487907571 /nfs/dbraw/zinc/90/75/71/487907571.db2.gz HNASVXNAPMUFOP-NTZNESFSSA-N 1 3 240.347 0.020 20 0 BCADHO C[C@H](CNC(=O)NC[C@H](C)[NH3+])N(C)C1CC1 ZINC000669462779 487909954 /nfs/dbraw/zinc/90/99/54/487909954.db2.gz FQKHNRIEGSQXEY-DTWKUNHWSA-N 1 3 228.340 0.116 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157772605 487921059 /nfs/dbraw/zinc/92/10/59/487921059.db2.gz YUKLHSKDBFGGAU-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157772605 487921065 /nfs/dbraw/zinc/92/10/65/487921065.db2.gz YUKLHSKDBFGGAU-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000157849934 487927139 /nfs/dbraw/zinc/92/71/39/487927139.db2.gz UDPUGIAJTPPTKU-GHMZBOCLSA-N 1 3 227.352 0.583 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CCN1CCCCC1 ZINC000652363731 487932810 /nfs/dbraw/zinc/93/28/10/487932810.db2.gz MLUXBGMLFIWDIH-CYBMUJFWSA-N 1 3 243.395 0.375 20 0 BCADHO C[NH2+]CCN(C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417550316 487935184 /nfs/dbraw/zinc/93/51/84/487935184.db2.gz KZGFMTXNNRLKOE-SNVBAGLBSA-N 1 3 242.367 0.330 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000082920652 487955661 /nfs/dbraw/zinc/95/56/61/487955661.db2.gz SUJUMZWOBHRHEP-WDEREUQCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000417809034 487956970 /nfs/dbraw/zinc/95/69/70/487956970.db2.gz APJHFTHLXMKGNP-KXNHARMFSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000569574461 322970844 /nfs/dbraw/zinc/97/08/44/322970844.db2.gz DMFCGNQPADVTIQ-MNOVXSKESA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000561194542 322996848 /nfs/dbraw/zinc/99/68/48/322996848.db2.gz NFMUBNWFIOILHR-VPOLOUISSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000561194539 322996870 /nfs/dbraw/zinc/99/68/70/322996870.db2.gz NFMUBNWFIOILHR-CHWFTXMASA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000566859326 323020452 /nfs/dbraw/zinc/02/04/52/323020452.db2.gz TXUHRYSXDXRSNN-BWZBUEFSSA-N 1 3 201.314 0.212 20 0 BCADHO CON1CCC(N(C)C[C@]2(C)CC[NH2+]C2)CC1 ZINC000566914861 323025573 /nfs/dbraw/zinc/02/55/73/323025573.db2.gz BMSSNXFBXVZHFL-CYBMUJFWSA-N 1 3 241.379 0.944 20 0 BCADHO [NH3+]CCCCNC(=O)C1CCN(C2CC2)CC1 ZINC000572720048 323036306 /nfs/dbraw/zinc/03/63/06/323036306.db2.gz ADISELDVUMMZTI-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO COCCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397252283 323038481 /nfs/dbraw/zinc/03/84/81/323038481.db2.gz DAGZRZMUYRSAAU-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397252283 323038482 /nfs/dbraw/zinc/03/84/82/323038482.db2.gz DAGZRZMUYRSAAU-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000397252283 323038483 /nfs/dbraw/zinc/03/84/83/323038483.db2.gz DAGZRZMUYRSAAU-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569727845 323039127 /nfs/dbraw/zinc/03/91/27/323039127.db2.gz UVVJLZQVQLDAPO-ZJUUUORDSA-N 1 3 215.341 0.569 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)NC ZINC000569743759 323039604 /nfs/dbraw/zinc/03/96/04/323039604.db2.gz MYVJIEBKBGLKBA-QWRGUYRKSA-N 1 3 229.368 0.831 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)NC ZINC000569743759 323039605 /nfs/dbraw/zinc/03/96/05/323039605.db2.gz MYVJIEBKBGLKBA-QWRGUYRKSA-N 1 3 229.368 0.831 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)CNC1CC1)C1CC1 ZINC000569842055 323042545 /nfs/dbraw/zinc/04/25/45/323042545.db2.gz AWRRJOWXXCNBRV-NSHDSACASA-N 1 3 225.336 0.195 20 0 BCADHO [NH3+]C1(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000570079952 323049341 /nfs/dbraw/zinc/04/93/41/323049341.db2.gz XEBZYFVNKQEZCU-UHFFFAOYSA-N 1 3 247.298 0.598 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000570215767 323053428 /nfs/dbraw/zinc/05/34/28/323053428.db2.gz KXVWDRMPGHZFKP-JTQLQIEISA-N 1 3 225.336 0.054 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)COC)C1 ZINC000570444882 323059594 /nfs/dbraw/zinc/05/95/94/323059594.db2.gz ZDBBOQGQOSPDMQ-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)COC)C1 ZINC000570444882 323059595 /nfs/dbraw/zinc/05/95/95/323059595.db2.gz ZDBBOQGQOSPDMQ-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC000570444882 323059596 /nfs/dbraw/zinc/05/95/96/323059596.db2.gz ZDBBOQGQOSPDMQ-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COC)C1 ZINC000570444883 323059628 /nfs/dbraw/zinc/05/96/28/323059628.db2.gz ZDBBOQGQOSPDMQ-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COC)C1 ZINC000570444883 323059629 /nfs/dbraw/zinc/05/96/29/323059629.db2.gz ZDBBOQGQOSPDMQ-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC000570444883 323059630 /nfs/dbraw/zinc/05/96/30/323059630.db2.gz ZDBBOQGQOSPDMQ-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CNC(=O)CCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000570579289 323063643 /nfs/dbraw/zinc/06/36/43/323063643.db2.gz IHMUXKOEQYVQGT-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000570579289 323063644 /nfs/dbraw/zinc/06/36/44/323063644.db2.gz IHMUXKOEQYVQGT-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000570579289 323063645 /nfs/dbraw/zinc/06/36/45/323063645.db2.gz IHMUXKOEQYVQGT-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)N(C)C ZINC000156204478 323064999 /nfs/dbraw/zinc/06/49/99/323064999.db2.gz IQGBQAQNNDPRBW-NWDGAFQWSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000570633267 323065346 /nfs/dbraw/zinc/06/53/46/323065346.db2.gz IFPXEUXCMDAXNC-KOLCDFICSA-N 1 3 248.330 0.573 20 0 BCADHO CC[C@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000570633268 323065390 /nfs/dbraw/zinc/06/53/90/323065390.db2.gz IFPXEUXCMDAXNC-ONGXEEELSA-N 1 3 248.330 0.573 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000570802376 323070931 /nfs/dbraw/zinc/07/09/31/323070931.db2.gz MORBEUAQNNISCE-MXWKQRLJSA-N 1 3 243.351 0.079 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000567814855 323087453 /nfs/dbraw/zinc/08/74/53/323087453.db2.gz GLEJUOQFWKUOGI-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)C1C[NH2+]C1 ZINC000563087793 323091249 /nfs/dbraw/zinc/09/12/49/323091249.db2.gz PYNYCWOWVCEQEE-UTLUCORTSA-N 1 3 225.336 0.051 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000567838984 323091453 /nfs/dbraw/zinc/09/14/53/323091453.db2.gz DROVDQCEAVFXOM-KCJUWKMLSA-N 1 3 239.294 0.331 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000563116844 323093353 /nfs/dbraw/zinc/09/33/53/323093353.db2.gz OMTDNCCTSFFJRQ-GUBZILKMSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000563116085 323093395 /nfs/dbraw/zinc/09/33/95/323093395.db2.gz XWNNCOMKAFJHEN-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOC[C@H]1CCCO1 ZINC000563152449 323095741 /nfs/dbraw/zinc/09/57/41/323095741.db2.gz ZUGARRMYLRFVDK-JHJVBQTASA-N 1 3 242.363 0.851 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000563160025 323097360 /nfs/dbraw/zinc/09/73/60/323097360.db2.gz MAMRKDUCMAPSLL-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000563160815 323097495 /nfs/dbraw/zinc/09/74/95/323097495.db2.gz SUEKQZVOZUQFPW-ZMLRMANQSA-N 1 3 233.315 0.205 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000563168843 323099659 /nfs/dbraw/zinc/09/96/59/323099659.db2.gz AVSPMTPYBNNKHW-XWLWVQCSSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000563171322 323099823 /nfs/dbraw/zinc/09/98/23/323099823.db2.gz WEPVDXQCFIUGJN-DJLDLDEBSA-N 1 3 213.325 0.369 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NCCN1CC[C@@H](C)C1 ZINC000563209037 323102025 /nfs/dbraw/zinc/10/20/25/323102025.db2.gz LBOZZGDERLQWAJ-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC(C)CC1 ZINC000570973444 323102422 /nfs/dbraw/zinc/10/24/22/323102422.db2.gz BCAUGESACKULPY-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CNCCC2(F)F)C1 ZINC000563422835 323124216 /nfs/dbraw/zinc/12/42/16/323124216.db2.gz CRZUETNFEMIRQR-BBBLOLIVSA-N 1 3 233.306 0.843 20 0 BCADHO CC[NH2+]CCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000563583053 323130442 /nfs/dbraw/zinc/13/04/42/323130442.db2.gz HUNUDUXHBZOYGV-ZDUSSCGKSA-N 1 3 249.358 0.672 20 0 BCADHO C[C@@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571080375 323135039 /nfs/dbraw/zinc/13/50/39/323135039.db2.gz YRMLDZANYBJNGT-MRVPVSSYSA-N 1 3 219.288 0.618 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)CCC[NH3+] ZINC000571083166 323135152 /nfs/dbraw/zinc/13/51/52/323135152.db2.gz GIFYVFBOUSSVAS-KOLCDFICSA-N 1 3 215.341 0.748 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571178895 323137218 /nfs/dbraw/zinc/13/72/18/323137218.db2.gz SLZLRSBBKHFGGD-MXWKQRLJSA-N 1 3 223.324 0.526 20 0 BCADHO FC(F)[C@H]1CNCCN1CCC1CC[NH2+]CC1 ZINC000571404695 323143763 /nfs/dbraw/zinc/14/37/63/323143763.db2.gz WITPGXPVRPXATM-LLVKDONJSA-N 1 3 247.333 0.915 20 0 BCADHO CNCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000571558506 323147877 /nfs/dbraw/zinc/14/78/77/323147877.db2.gz XXOIEZQPEXHEOZ-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)CC(C)C ZINC000308478285 323174884 /nfs/dbraw/zinc/17/48/84/323174884.db2.gz KJKORELOJSWJCW-NSHDSACASA-N 1 3 202.342 0.887 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)CC(C)C ZINC000308478285 323174885 /nfs/dbraw/zinc/17/48/85/323174885.db2.gz KJKORELOJSWJCW-NSHDSACASA-N 1 3 202.342 0.887 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563716574 323175342 /nfs/dbraw/zinc/17/53/42/323175342.db2.gz YHALTMQKZZGODP-BDAKNGLRSA-N 1 3 249.305 0.617 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000309362132 323345784 /nfs/dbraw/zinc/34/57/84/323345784.db2.gz AOYPCACEJJJNCL-BBBLOLIVSA-N 1 3 213.325 0.180 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@]12C[C@H]1CC[NH2+]2 ZINC000571755171 323472520 /nfs/dbraw/zinc/47/25/20/323472520.db2.gz MLZHIAGDLXCXET-RISCZKNCSA-N 1 3 243.310 0.980 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680163 487959315 /nfs/dbraw/zinc/95/93/15/487959315.db2.gz QEIOTPZNIZKVBS-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023899 324223139 /nfs/dbraw/zinc/22/31/39/324223139.db2.gz MBDZZULCUKOODP-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023899 324223143 /nfs/dbraw/zinc/22/31/43/324223143.db2.gz MBDZZULCUKOODP-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO CCCN1CC[C@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913534 487965580 /nfs/dbraw/zinc/96/55/80/487965580.db2.gz TWFQFRQWHHGTFX-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CCCCN(C)CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130601771 325071865 /nfs/dbraw/zinc/07/18/65/325071865.db2.gz IAVMYAIXWWZNCE-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CNC(=O)CCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000131808505 325185694 /nfs/dbraw/zinc/18/56/94/325185694.db2.gz OELUAVFDPWUIIN-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000131808505 325185699 /nfs/dbraw/zinc/18/56/99/325185699.db2.gz OELUAVFDPWUIIN-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN(C)C ZINC000133595349 325302987 /nfs/dbraw/zinc/30/29/87/325302987.db2.gz PZYCDUMWFBQZLA-LLVKDONJSA-N 1 3 244.383 0.578 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCN(C)C ZINC000133595349 325302989 /nfs/dbraw/zinc/30/29/89/325302989.db2.gz PZYCDUMWFBQZLA-LLVKDONJSA-N 1 3 244.383 0.578 20 0 BCADHO CC[NH2+]CCCNC(=O)C[C@H]1CSCCN1 ZINC000564328709 325386741 /nfs/dbraw/zinc/38/67/41/325386741.db2.gz QQIAEYCQRDZBRK-JTQLQIEISA-N 1 3 245.392 0.197 20 0 BCADHO CC[C@@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637529 487970049 /nfs/dbraw/zinc/97/00/49/487970049.db2.gz RNIOBQQSIHGYID-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637529 487970053 /nfs/dbraw/zinc/97/00/53/487970053.db2.gz RNIOBQQSIHGYID-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO CC[NH2+]CCCN[C@@H](C)C(C)(C)n1cncn1 ZINC000564822870 325812364 /nfs/dbraw/zinc/81/23/64/325812364.db2.gz SMIQPAACAZRNEY-NSHDSACASA-N 1 3 239.367 0.991 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000565962280 325979681 /nfs/dbraw/zinc/97/96/81/325979681.db2.gz QVJABIVCNHVJIO-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO O=C1NCC[C@@H]1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245124 326021656 /nfs/dbraw/zinc/02/16/56/326021656.db2.gz DGSXYOYPMUGNKE-SRVKXCTJSA-N 1 3 237.347 0.196 20 0 BCADHO O=C1NCC[C@@H]1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245127 326021904 /nfs/dbraw/zinc/02/19/04/326021904.db2.gz DGSXYOYPMUGNKE-WOPDTQHZSA-N 1 3 237.347 0.196 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000566244583 326022647 /nfs/dbraw/zinc/02/26/47/326022647.db2.gz YZHLWYIYQWFAHU-SFYZADRCSA-N 1 3 235.278 0.179 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1 ZINC000566250413 326024044 /nfs/dbraw/zinc/02/40/44/326024044.db2.gz FXIWAAZEGGVTSZ-VXGBXAGGSA-N 1 3 249.314 0.067 20 0 BCADHO CC(C)N(C)CC(=O)NCCC[NH2+]C1CC1 ZINC000566294015 326029763 /nfs/dbraw/zinc/02/97/63/326029763.db2.gz OFWQKLHUQFICBT-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO CCN1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000566507691 326060327 /nfs/dbraw/zinc/06/03/27/326060327.db2.gz LJZJPOAVEMNIMK-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000566618779 326068510 /nfs/dbraw/zinc/06/85/10/326068510.db2.gz FVRKRRDBQHRRRH-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH+](C)CCNC(=O)c1conc1C(C)(C)N ZINC000566631296 326070574 /nfs/dbraw/zinc/07/05/74/326070574.db2.gz VKWRUNLZOJPQHM-UHFFFAOYSA-N 1 3 240.307 0.160 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739980 326079032 /nfs/dbraw/zinc/07/90/32/326079032.db2.gz LASWGRCEEFISKT-UXCLJVHYSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CNCc2ccccc21 ZINC000566855182 326088147 /nfs/dbraw/zinc/08/81/47/326088147.db2.gz VLJWYAOQINOVQI-GXFFZTMASA-N 1 3 247.342 0.727 20 0 BCADHO CCN1CCN(CCC[NH2+][C@H](C)COC)CC1 ZINC000154327149 326139816 /nfs/dbraw/zinc/13/98/16/326139816.db2.gz NMWAESOMFDOEQZ-CYBMUJFWSA-N 1 3 243.395 0.639 20 0 BCADHO COC[C@@H](C)[NH2+]CCCCN1CCN(C)CC1 ZINC000154438518 326144338 /nfs/dbraw/zinc/14/43/38/326144338.db2.gz MZYWSBRGFVDCDJ-CYBMUJFWSA-N 1 3 243.395 0.639 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567236868 326148509 /nfs/dbraw/zinc/14/85/09/326148509.db2.gz SNRNSDLYUCDYMZ-RQJHMYQMSA-N 1 3 241.257 0.366 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000155237931 326189825 /nfs/dbraw/zinc/18/98/25/326189825.db2.gz GRJVHGSTRUIJHY-DCAQKATOSA-N 1 3 227.352 0.476 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)C[C@H]1CCCOC1 ZINC000310410435 326191891 /nfs/dbraw/zinc/19/18/91/326191891.db2.gz OUUOOLRHGWVOOP-OLZOCXBDSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)C[C@H]1CCCOC1 ZINC000310410435 326191893 /nfs/dbraw/zinc/19/18/93/326191893.db2.gz OUUOOLRHGWVOOP-OLZOCXBDSA-N 1 3 244.379 0.657 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567469987 326199002 /nfs/dbraw/zinc/19/90/02/326199002.db2.gz FLQDJYCHFJCABG-VWYCJHECSA-N 1 3 227.352 0.603 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000567505065 326206501 /nfs/dbraw/zinc/20/65/01/326206501.db2.gz LFXSQZYDIZCPQQ-GMTAPVOTSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000567655661 326239777 /nfs/dbraw/zinc/23/97/77/326239777.db2.gz KWOWLNMCJRHNEM-DDHJBXDOSA-N 1 3 239.363 0.631 20 0 BCADHO O=C(CNC1CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567672777 326242685 /nfs/dbraw/zinc/24/26/85/326242685.db2.gz JETKGTJMOHZWQK-ZDUSSCGKSA-N 1 3 237.347 0.341 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000567811712 326261542 /nfs/dbraw/zinc/26/15/42/326261542.db2.gz AZPLPOHBHYXZFP-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000567814941 326262098 /nfs/dbraw/zinc/26/20/98/326262098.db2.gz LZOBQBCQXHKYHD-QMMMGPOBSA-N 1 3 223.276 0.310 20 0 BCADHO CN(C(=O)c1ccc2c(c1)CNC2)[C@@H]1CC[NH2+]C1 ZINC000567829344 326265324 /nfs/dbraw/zinc/26/53/24/326265324.db2.gz BNORZMVUEHSSNL-CYBMUJFWSA-N 1 3 245.326 0.724 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000567831046 326265917 /nfs/dbraw/zinc/26/59/17/326265917.db2.gz ISQQRBQZWDHNBR-WCQGTBRESA-N 1 3 239.363 0.700 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000567834236 326266315 /nfs/dbraw/zinc/26/63/15/326266315.db2.gz WJNWSCBNBHIQFG-STQMWFEESA-N 1 3 247.342 0.897 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000567833975 326266368 /nfs/dbraw/zinc/26/63/68/326266368.db2.gz RJLFLKIRVAZUFM-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](O)[C@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000567873342 326274386 /nfs/dbraw/zinc/27/43/86/326274386.db2.gz SNIDWNKOEMJOCO-QJPTWQEYSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000567913602 326282568 /nfs/dbraw/zinc/28/25/68/326282568.db2.gz LISWLRGDOLUPJL-PHDIDXHHSA-N 1 3 227.230 0.120 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CCC[NH3+])C1 ZINC000567982571 326290941 /nfs/dbraw/zinc/29/09/41/326290941.db2.gz BMSOQPTZTUQZJC-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CCCC[NH3+])CCN1C ZINC000157876659 326298988 /nfs/dbraw/zinc/29/89/88/326298988.db2.gz MLPBAVRJPGXXPH-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO N[C@H](CC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000163273186 326310346 /nfs/dbraw/zinc/31/03/46/326310346.db2.gz HMUKTTAFJGKXSQ-NWDGAFQWSA-N 1 3 233.315 0.555 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)N(C)C ZINC000158276577 326314841 /nfs/dbraw/zinc/31/48/41/326314841.db2.gz FVUQJBHQWRSMFF-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)N(C)C ZINC000158276577 326314842 /nfs/dbraw/zinc/31/48/42/326314842.db2.gz FVUQJBHQWRSMFF-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531755 326326992 /nfs/dbraw/zinc/32/69/92/326326992.db2.gz XLJGAGCAHJFARF-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000568247904 326329907 /nfs/dbraw/zinc/32/99/07/326329907.db2.gz AIWMRGFVJHFQJW-XWLWVQCSSA-N 1 3 214.309 0.260 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](N)c1ccccc1 ZINC000568738232 326374157 /nfs/dbraw/zinc/37/41/57/326374157.db2.gz ZJRJDWJEOPUNIE-WCFLWFBJSA-N 1 3 247.342 0.801 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000568747760 326374805 /nfs/dbraw/zinc/37/48/05/326374805.db2.gz MGPLAEDULRTXIL-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CN(C)CCN(C(=O)CCCC[NH3+])C1CC1 ZINC000568863678 326379809 /nfs/dbraw/zinc/37/98/09/326379809.db2.gz DVRLZVZMTOQLFM-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000568869400 326380458 /nfs/dbraw/zinc/38/04/58/326380458.db2.gz ZMLYDHBTEYQVGX-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000568869400 326380460 /nfs/dbraw/zinc/38/04/60/326380460.db2.gz ZMLYDHBTEYQVGX-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO [NH3+]CCNC(=O)[C@H]1CCCN(CC2(F)CC2)C1 ZINC000569243777 326397613 /nfs/dbraw/zinc/39/76/13/326397613.db2.gz NBXVIIVOHKSLFY-JTQLQIEISA-N 1 3 243.326 0.275 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000165405641 326421796 /nfs/dbraw/zinc/42/17/96/326421796.db2.gz HEXDRZPWCXIIDA-MNOVXSKESA-N 1 3 229.368 0.770 20 0 BCADHO [NH3+]CCCc1cn(CCN2CCCC2)nn1 ZINC000229839232 487972975 /nfs/dbraw/zinc/97/29/75/487972975.db2.gz BTFSPQKNEXVFNV-UHFFFAOYSA-N 1 3 223.324 0.265 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418202268 487982345 /nfs/dbraw/zinc/98/23/45/487982345.db2.gz IUKVZHZPACLANT-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197703 488033968 /nfs/dbraw/zinc/03/39/68/488033968.db2.gz RUBGLOXOLQIUQZ-IJLUTSLNSA-N 1 3 230.352 0.000 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388197703 488033979 /nfs/dbraw/zinc/03/39/79/488033979.db2.gz RUBGLOXOLQIUQZ-IJLUTSLNSA-N 1 3 230.352 0.000 20 0 BCADHO COCC(COC)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000388381677 488043261 /nfs/dbraw/zinc/04/32/61/488043261.db2.gz QWCUMZCQTLXTPM-NSHDSACASA-N 1 3 244.379 0.968 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)N(C)C ZINC000084382475 488048343 /nfs/dbraw/zinc/04/83/43/488048343.db2.gz CXHWMETXOBSHMS-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO O=c1ccc(C[NH2+]CCCN2CCCC2)c[nH]1 ZINC000236412573 488059963 /nfs/dbraw/zinc/05/99/63/488059963.db2.gz UMTYDXSIBLYNKL-UHFFFAOYSA-N 1 3 235.331 0.950 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000235484543 488061988 /nfs/dbraw/zinc/06/19/88/488061988.db2.gz TWKJCGDIAOIBMA-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC[NH2+]C)C1 ZINC000389156811 488079801 /nfs/dbraw/zinc/07/98/01/488079801.db2.gz KWGWBFOESXHHHQ-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC)C1 ZINC000389195345 488080578 /nfs/dbraw/zinc/08/05/78/488080578.db2.gz WZSUXHSHJBFXHA-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC)C1 ZINC000389195345 488080582 /nfs/dbraw/zinc/08/05/82/488080582.db2.gz WZSUXHSHJBFXHA-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO O[C@H](CN[C@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000226087759 488082896 /nfs/dbraw/zinc/08/28/96/488082896.db2.gz NREYEYKDUKTLQO-AGIUHOORSA-N 1 3 242.363 0.336 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236720246 488084055 /nfs/dbraw/zinc/08/40/55/488084055.db2.gz CHNAFPBWGWIAHM-GHMZBOCLSA-N 1 3 227.352 0.476 20 0 BCADHO CN1CCN(CC[C@H]2CC[NH2+]C2)CCC1=O ZINC000257792348 488088884 /nfs/dbraw/zinc/08/88/84/488088884.db2.gz QGJQBMGYGQEGKK-LLVKDONJSA-N 1 3 225.336 0.150 20 0 BCADHO CC[C@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000236958545 488097813 /nfs/dbraw/zinc/09/78/13/488097813.db2.gz SPCRRSUTWZUDIB-JTQLQIEISA-N 1 3 239.323 0.121 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000237059619 488101680 /nfs/dbraw/zinc/10/16/80/488101680.db2.gz NVQWAXHBTIZBRU-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000389650362 488104831 /nfs/dbraw/zinc/10/48/31/488104831.db2.gz NYSKIYLVBYFXED-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000389715619 488108591 /nfs/dbraw/zinc/10/85/91/488108591.db2.gz GKPHVWFXSWIWBY-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000669509604 488109995 /nfs/dbraw/zinc/10/99/95/488109995.db2.gz HHTHMJYGHGNZCL-IJLUTSLNSA-N 1 3 239.363 0.633 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@H]1NCCCC1(C)C ZINC000669512130 488117785 /nfs/dbraw/zinc/11/77/85/488117785.db2.gz YBBSQHPFJJSIAO-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNCC1(C)C ZINC000669512433 488118611 /nfs/dbraw/zinc/11/86/11/488118611.db2.gz VBEORDCFWDLSNJ-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000669512443 488118623 /nfs/dbraw/zinc/11/86/23/488118623.db2.gz VOBGOPYMYZEHPT-ZWNOBZJWSA-N 1 3 237.347 0.196 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNCC1(C)C ZINC000669512453 488118761 /nfs/dbraw/zinc/11/87/61/488118761.db2.gz XWFYYBCSGNQKPA-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CNC1CC1 ZINC000669512591 488118865 /nfs/dbraw/zinc/11/88/65/488118865.db2.gz HHKQCABHAXHTLW-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CC(C)C ZINC000669512731 488119559 /nfs/dbraw/zinc/11/95/59/488119559.db2.gz KZWFCRYUTXMTPR-WDEREUQCSA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514783 488124033 /nfs/dbraw/zinc/12/40/33/488124033.db2.gz ICHPUTCNMDZVPU-NWDGAFQWSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514784 488124586 /nfs/dbraw/zinc/12/45/86/488124586.db2.gz ICHPUTCNMDZVPU-VXGBXAGGSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H](N)CC(C)C)CC[C@@H]1[NH3+] ZINC000669516051 488126106 /nfs/dbraw/zinc/12/61/06/488126106.db2.gz PQWOCJKUDJZEPT-SRVKXCTJSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000669516189 488126669 /nfs/dbraw/zinc/12/66/69/488126669.db2.gz WVMZAZNGJPUKLO-WYUUTHIRSA-N 1 3 241.379 0.946 20 0 BCADHO c1cn(C[C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662297041 487544217 /nfs/dbraw/zinc/54/42/17/487544217.db2.gz YIAJXGQXLJIFQT-RYUDHWBXSA-N 1 3 235.335 0.210 20 0 BCADHO C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)N1CCCC1 ZINC000161092984 487475595 /nfs/dbraw/zinc/47/55/95/487475595.db2.gz FDBSLTYBBUONEK-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)N1CCCC1 ZINC000161092596 487475828 /nfs/dbraw/zinc/47/58/28/487475828.db2.gz FDBSLTYBBUONEK-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CN1C1CC1 ZINC000237539778 487482367 /nfs/dbraw/zinc/48/23/67/487482367.db2.gz RIAGQNPMJIUTBD-VHSXEESVSA-N 1 3 239.363 0.855 20 0 BCADHO COCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000070543329 487483445 /nfs/dbraw/zinc/48/34/45/487483445.db2.gz KVXOOLBGQZFSIN-LBPRGKRZSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCCC1 ZINC000086270988 487494209 /nfs/dbraw/zinc/49/42/09/487494209.db2.gz LIJDGOCQJVOQLJ-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000144673477 487497262 /nfs/dbraw/zinc/49/72/62/487497262.db2.gz SBKLSHBXDRZFQL-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NC[C@@H]2CCC(=O)N2)C1 ZINC000086404423 487501008 /nfs/dbraw/zinc/50/10/08/487501008.db2.gz IMMZTIHIOJACTC-AEJSXWLSSA-N 1 3 211.309 0.125 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404423 487501010 /nfs/dbraw/zinc/50/10/10/487501010.db2.gz IMMZTIHIOJACTC-AEJSXWLSSA-N 1 3 211.309 0.125 20 0 BCADHO CCO[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000086435538 487507017 /nfs/dbraw/zinc/50/70/17/487507017.db2.gz JHPBZIDWLPDMCS-LLVKDONJSA-N 1 3 216.325 0.463 20 0 BCADHO NCc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000169813078 487507001 /nfs/dbraw/zinc/50/70/01/487507001.db2.gz VMNZYFNBIHCKEX-NSHDSACASA-N 1 3 219.288 0.836 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808880 487508499 /nfs/dbraw/zinc/50/84/99/487508499.db2.gz QNXVJQNQPJJPIU-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808880 487508506 /nfs/dbraw/zinc/50/85/06/487508506.db2.gz QNXVJQNQPJJPIU-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@H]1CCC2(CNC2)O1 ZINC000662267881 487509120 /nfs/dbraw/zinc/50/91/20/487509120.db2.gz YTPUPMSSJWSKDQ-GRYCIOLGSA-N 1 3 239.363 0.190 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)C(F)F)C1 ZINC000300354838 487509518 /nfs/dbraw/zinc/50/95/18/487509518.db2.gz KCYBVTJIHAVQGW-PRJMDXOYSA-N 1 3 208.252 0.472 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1ccnn1C ZINC000230775537 488156675 /nfs/dbraw/zinc/15/66/75/488156675.db2.gz BOXPYVJGXXTONR-GHMZBOCLSA-N 1 3 222.336 0.632 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040673742 488168234 /nfs/dbraw/zinc/16/82/34/488168234.db2.gz KZCLDQFRMIIBEI-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO COC[C@H](CO)[NH2+]C1CCN(CC2CC2)CC1 ZINC000554998988 487766742 /nfs/dbraw/zinc/76/67/42/487766742.db2.gz YJVFSAGWGVDKLX-ZDUSSCGKSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000666947965 487889850 /nfs/dbraw/zinc/88/98/50/487889850.db2.gz LXXHNWIAOJLKIU-RHYQMDGZSA-N 1 3 229.343 0.807 20 0 BCADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403140655 488116034 /nfs/dbraw/zinc/11/60/34/488116034.db2.gz CZEHFZNSZYKZBT-WRWGMCAJSA-N 1 3 212.337 0.674 20 0 BCADHO CC(C)N(C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000670402348 488143776 /nfs/dbraw/zinc/14/37/76/488143776.db2.gz WABSWPHRDCGUDJ-UHFFFAOYSA-N 1 3 227.352 0.535 20 0 BCADHO CCn1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000404432632 488159931 /nfs/dbraw/zinc/15/99/31/488159931.db2.gz AAEJBTZMYGISTJ-SDDRHHMPSA-N 1 3 249.362 0.776 20 0 BCADHO COC[C@H](C)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000223425068 488162021 /nfs/dbraw/zinc/16/20/21/488162021.db2.gz CZCLMYYWEKXIQA-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000223425068 488162023 /nfs/dbraw/zinc/16/20/23/488162023.db2.gz CZCLMYYWEKXIQA-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1CC[C@@H](N)[C@@H](C)C1 ZINC000223425068 488162026 /nfs/dbraw/zinc/16/20/26/488162026.db2.gz CZCLMYYWEKXIQA-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@H](C)CO ZINC000380042023 488169170 /nfs/dbraw/zinc/16/91/70/488169170.db2.gz UQMJPBZJBDSDSE-MNOVXSKESA-N 1 3 218.341 0.000 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@H](C)CO ZINC000380042023 488169175 /nfs/dbraw/zinc/16/91/75/488169175.db2.gz UQMJPBZJBDSDSE-MNOVXSKESA-N 1 3 218.341 0.000 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000399089766 488176470 /nfs/dbraw/zinc/17/64/70/488176470.db2.gz WAKFPZNNVJBETD-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)C2CCC2)C1 ZINC000399089766 488176473 /nfs/dbraw/zinc/17/64/73/488176473.db2.gz WAKFPZNNVJBETD-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000669528890 488176533 /nfs/dbraw/zinc/17/65/33/488176533.db2.gz PPVRYQHALLWSKT-WCABBAIRSA-N 1 3 240.351 0.116 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990838 488178597 /nfs/dbraw/zinc/17/85/97/488178597.db2.gz YOZZOPIXQGNBKS-XQQFMLRXSA-N 1 3 240.347 0.210 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667990838 488178601 /nfs/dbraw/zinc/17/86/01/488178601.db2.gz YOZZOPIXQGNBKS-XQQFMLRXSA-N 1 3 240.347 0.210 20 0 BCADHO CC(C)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000167786419 488187684 /nfs/dbraw/zinc/18/76/84/488187684.db2.gz DIQPVAQWDDUPCS-GFCCVEGCSA-N 1 3 212.337 0.926 20 0 BCADHO CN(C(=O)CC1([NH3+])CC1)C1CCN(C)CC1 ZINC000398118780 488211412 /nfs/dbraw/zinc/21/14/12/488211412.db2.gz QEGQNBUZYDALKK-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000129086184 490599962 /nfs/dbraw/zinc/59/99/62/490599962.db2.gz CFWLOFHQSLGMMN-BBBLOLIVSA-N 1 3 213.325 0.310 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NCC[NH2+]C1CC1 ZINC000131805041 490657533 /nfs/dbraw/zinc/65/75/33/490657533.db2.gz RPSGDMHKLVAJKR-ZDUSSCGKSA-N 1 3 247.342 0.425 20 0 BCADHO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000491849944 491080886 /nfs/dbraw/zinc/08/08/86/491080886.db2.gz XALZESZJGYBWOV-PGLGOXFNSA-N 1 3 237.347 0.457 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)[C@H]2CCN2)c1 ZINC000309605358 491120466 /nfs/dbraw/zinc/12/04/66/491120466.db2.gz LBDMEZMPNVNTFI-SNVBAGLBSA-N 1 3 205.261 0.446 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)N ZINC000049559624 491128832 /nfs/dbraw/zinc/12/88/32/491128832.db2.gz SIOYUDSPQMQQDG-MRVPVSSYSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H](CC[NH+](C)C)N[C@H](C)Cn1cncn1 ZINC000309793160 491156652 /nfs/dbraw/zinc/15/66/52/491156652.db2.gz UUUCACBPGSZFMX-GHMZBOCLSA-N 1 3 225.340 0.596 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000644094835 491160539 /nfs/dbraw/zinc/16/05/39/491160539.db2.gz QVWMBHBDBAWSFZ-SNVBAGLBSA-N 1 3 225.336 0.100 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262949922 535493140 /nfs/dbraw/zinc/49/31/40/535493140.db2.gz VIXVUCMTGCXCNH-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594655 535521453 /nfs/dbraw/zinc/52/14/53/535521453.db2.gz WTMIKBUCBBJZTJ-GFCCVEGCSA-N 1 3 229.368 0.947 20 0 BCADHO COC(=O)N1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1 ZINC000496652350 533946482 /nfs/dbraw/zinc/94/64/82/533946482.db2.gz WIQNFWARBVNZPE-ZJUUUORDSA-N 1 3 243.351 0.933 20 0 BCADHO CN(C)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250344393 535955118 /nfs/dbraw/zinc/95/51/18/535955118.db2.gz FHYHZIZHPBDJHO-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO CN(C)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250344393 535955121 /nfs/dbraw/zinc/95/51/21/535955121.db2.gz FHYHZIZHPBDJHO-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H](N)CC(F)F ZINC000309259289 517436755 /nfs/dbraw/zinc/43/67/55/517436755.db2.gz CYRANKPDDBFXBP-MRVPVSSYSA-N 1 3 237.294 0.425 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](N)CC(F)F ZINC000309259289 517436764 /nfs/dbraw/zinc/43/67/64/517436764.db2.gz CYRANKPDDBFXBP-MRVPVSSYSA-N 1 3 237.294 0.425 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N1CCN(C)C(C)(C)CC1 ZINC000892061258 582780235 /nfs/dbraw/zinc/78/02/35/582780235.db2.gz DPWSPXHRDPINMS-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[NH+](C)CC(C)(C)CN[C@H]1CCCNC(=O)C1 ZINC000111825008 582818279 /nfs/dbraw/zinc/81/82/79/582818279.db2.gz GEOWRFMOJJLOQG-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261552412 536441251 /nfs/dbraw/zinc/44/12/51/536441251.db2.gz RJZZNEZGHVSIBX-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261552412 536441254 /nfs/dbraw/zinc/44/12/54/536441254.db2.gz RJZZNEZGHVSIBX-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO COCCOCCN[C@](C)(C[NH3+])C1CC1 ZINC000261567783 536517361 /nfs/dbraw/zinc/51/73/61/536517361.db2.gz FCDCNMVXQIQZGQ-LLVKDONJSA-N 1 3 216.325 0.366 20 0 BCADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000892568527 582915341 /nfs/dbraw/zinc/91/53/41/582915341.db2.gz VOBARFZEAFFASN-NAKRPEOUSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805861 535059586 /nfs/dbraw/zinc/05/95/86/535059586.db2.gz ZAMSGQAZDDQKKC-SRVKXCTJSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805861 535059589 /nfs/dbraw/zinc/05/95/89/535059589.db2.gz ZAMSGQAZDDQKKC-SRVKXCTJSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261548683 535060292 /nfs/dbraw/zinc/06/02/92/535060292.db2.gz NVMXCCLTTKETMI-UTLUCORTSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027753 535060271 /nfs/dbraw/zinc/06/02/71/535060271.db2.gz WODLEYTUKVXNSW-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO CCCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000261548852 535068368 /nfs/dbraw/zinc/06/83/68/535068368.db2.gz JWICRIUSJCMRTG-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179052126 535487517 /nfs/dbraw/zinc/48/75/17/535487517.db2.gz CCNIEOYGIMPMEO-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000335392654 535494571 /nfs/dbraw/zinc/49/45/71/535494571.db2.gz NEESTKJRWVTVKA-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000335392654 535494574 /nfs/dbraw/zinc/49/45/74/535494574.db2.gz NEESTKJRWVTVKA-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000261929266 535505383 /nfs/dbraw/zinc/50/53/83/535505383.db2.gz YRZLHLMXRNVANT-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250370916 535533456 /nfs/dbraw/zinc/53/34/56/535533456.db2.gz VPKIBRHVOYGNAQ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)CNCCOC ZINC000092509846 535586710 /nfs/dbraw/zinc/58/67/10/535586710.db2.gz UVLDGUNACRJIBV-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163845387 535601529 /nfs/dbraw/zinc/60/15/29/535601529.db2.gz JADMSRAGWPDHEP-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000347783058 535964429 /nfs/dbraw/zinc/96/44/29/535964429.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCc2cncn2C)C1 ZINC000347783058 535964424 /nfs/dbraw/zinc/96/44/24/535964424.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 1 3 236.363 0.846 20 0 BCADHO Cn1cncc1CCN1CC[C@H](C[NH+](C)C)C1 ZINC000347783058 535964420 /nfs/dbraw/zinc/96/44/20/535964420.db2.gz MHIKGHYBZOJOIY-GFCCVEGCSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C(=O)[C@@H](N)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000178601291 536058220 /nfs/dbraw/zinc/05/82/20/536058220.db2.gz LWJBZHWVZQTPOA-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CN1CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000335640894 536344640 /nfs/dbraw/zinc/34/46/40/536344640.db2.gz CWCCBZLDFDHLJR-GFCCVEGCSA-N 1 3 211.353 0.812 20 0 BCADHO CN1CCC(N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000335640894 536344642 /nfs/dbraw/zinc/34/46/42/536344642.db2.gz CWCCBZLDFDHLJR-GFCCVEGCSA-N 1 3 211.353 0.812 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352020086 536354206 /nfs/dbraw/zinc/35/42/06/536354206.db2.gz GZLCGEHZIFITKI-AGIUHOORSA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000352020086 536354208 /nfs/dbraw/zinc/35/42/08/536354208.db2.gz GZLCGEHZIFITKI-AGIUHOORSA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000261533331 536375894 /nfs/dbraw/zinc/37/58/94/536375894.db2.gz GPANPSBEYOBSPM-ZYHUDNBSSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCNC1(CO)CCOCC1 ZINC000348068004 536389601 /nfs/dbraw/zinc/38/96/01/536389601.db2.gz FLXPNIAEKZZXST-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO C[N@H+]1CCC[C@H]1CCNC1(CO)CCOCC1 ZINC000348068004 536389603 /nfs/dbraw/zinc/38/96/03/536389603.db2.gz FLXPNIAEKZZXST-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000335619753 536394681 /nfs/dbraw/zinc/39/46/81/536394681.db2.gz SJHXIKQXDUKOTC-MNOVXSKESA-N 1 3 242.367 0.330 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000335658627 536448048 /nfs/dbraw/zinc/44/80/48/536448048.db2.gz AAPKITKLKQOXCC-GHMZBOCLSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000335658627 536448051 /nfs/dbraw/zinc/44/80/51/536448051.db2.gz AAPKITKLKQOXCC-GHMZBOCLSA-N 1 3 237.347 0.291 20 0 BCADHO COC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000227712257 536854310 /nfs/dbraw/zinc/85/43/10/536854310.db2.gz QVNOYBUESTUPKG-TUAOUCFPSA-N 1 3 230.352 0.720 20 0 BCADHO COC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000227712257 536854317 /nfs/dbraw/zinc/85/43/17/536854317.db2.gz QVNOYBUESTUPKG-TUAOUCFPSA-N 1 3 230.352 0.720 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)CC1 ZINC000877178976 583300409 /nfs/dbraw/zinc/30/04/09/583300409.db2.gz GGFAUUXAWBYRAW-CKYFFXLPSA-N 1 3 243.326 0.322 20 0 BCADHO C[C@]1(NC(=O)c2cccc(CN)c2)CC[NH2+]C1 ZINC000852929031 588713961 /nfs/dbraw/zinc/71/39/61/588713961.db2.gz XBOPSXJDNHLAHZ-ZDUSSCGKSA-N 1 3 233.315 0.627 20 0 BCADHO C[C@@H](C[NH3+])NCc1nc2c(s1)CNCC2 ZINC000853245712 588728599 /nfs/dbraw/zinc/72/85/99/588728599.db2.gz BVSQSZMIBTVHGI-ZETCQYMHSA-N 1 3 226.349 0.226 20 0 BCADHO FC1(F)CCNC[C@@H]1NC[C@]12C[C@H]1C[NH2+]C2 ZINC000853246661 588728690 /nfs/dbraw/zinc/72/86/90/588728690.db2.gz PBZWDWBXOOORAN-LPEHRKFASA-N 1 3 231.290 0.183 20 0 BCADHO COC(=O)N(C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000854225879 588780499 /nfs/dbraw/zinc/78/04/99/588780499.db2.gz BBGYQUQPWIOEOD-WDEREUQCSA-N 1 3 243.351 0.662 20 0 BCADHO COC(=O)N(C)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000854226549 588780730 /nfs/dbraw/zinc/78/07/30/588780730.db2.gz HICBHKHNJPTOAI-DTWKUNHWSA-N 1 3 217.313 0.400 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@H]1N ZINC000854228318 588780927 /nfs/dbraw/zinc/78/09/27/588780927.db2.gz VANJCNZEEVNBBV-RKDXNWHRSA-N 1 3 215.297 0.154 20 0 BCADHO CN1CCC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000891403215 582678531 /nfs/dbraw/zinc/67/85/31/582678531.db2.gz KEHSIRDJHFPOOX-AXFHLTTASA-N 1 3 240.351 0.117 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCN(C)C1CC1 ZINC000891545051 582695973 /nfs/dbraw/zinc/69/59/73/582695973.db2.gz HQHNVAOXJCKVPF-UWVGGRQHSA-N 1 3 240.351 0.212 20 0 BCADHO CCN(CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000891612040 582701810 /nfs/dbraw/zinc/70/18/10/582701810.db2.gz ITCZUEPWDQUQAG-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO [NH3+]CCCNC(=O)N1CCNCCC12CCC2 ZINC000891987735 582754536 /nfs/dbraw/zinc/75/45/36/582754536.db2.gz XSVMDXMOFMAKLM-UHFFFAOYSA-N 1 3 240.351 0.263 20 0 BCADHO C[NH+](C)CC(C)(C)CN[C@@H]1CCCNC(=O)C1 ZINC000111825006 582818129 /nfs/dbraw/zinc/81/81/29/582818129.db2.gz GEOWRFMOJJLOQG-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](CNC(=[NH2+])N1CCOCC1)CN(C)C ZINC000849030663 582833433 /nfs/dbraw/zinc/83/34/33/582833433.db2.gz RJDNONYNMCYITJ-SNVBAGLBSA-N 1 3 228.340 0.041 20 0 BCADHO C[N@@H+]1CCC[C@H](CNc2ccncc2CO)C1 ZINC000892421923 582883389 /nfs/dbraw/zinc/88/33/89/582883389.db2.gz RDAATDCQLGGTAB-LLVKDONJSA-N 1 3 235.331 0.750 20 0 BCADHO C[N@H+]1CCC[C@H](CNc2ccncc2CO)C1 ZINC000892421923 582883391 /nfs/dbraw/zinc/88/33/91/582883391.db2.gz RDAATDCQLGGTAB-LLVKDONJSA-N 1 3 235.331 0.750 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)COCCOC)C1 ZINC000892612924 582929491 /nfs/dbraw/zinc/92/94/91/582929491.db2.gz GJWCHJKJCYGLPW-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)COCCOC)C1 ZINC000892612924 582929492 /nfs/dbraw/zinc/92/94/92/582929492.db2.gz GJWCHJKJCYGLPW-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)COCCOC)C1 ZINC000892612924 582929493 /nfs/dbraw/zinc/92/94/93/582929493.db2.gz GJWCHJKJCYGLPW-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892852072 582997000 /nfs/dbraw/zinc/99/70/00/582997000.db2.gz ZXZOPGJKGWMGOF-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO CC(C)([NH3+])CCNC(=O)N1CCCNCC1 ZINC000892851607 582997112 /nfs/dbraw/zinc/99/71/12/582997112.db2.gz VDGHVCVYMPWAPC-UHFFFAOYSA-N 1 3 228.340 0.119 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000857113150 583133793 /nfs/dbraw/zinc/13/37/93/583133793.db2.gz OCPSDPLYUIJEMS-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO OCc1c[nH+]ccc1NCCN1CC=CCC1 ZINC000893611757 583173601 /nfs/dbraw/zinc/17/36/01/583173601.db2.gz KNOZPGSPYUGGEU-UHFFFAOYSA-N 1 3 233.315 0.670 20 0 BCADHO CCN(CC)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188161 583303572 /nfs/dbraw/zinc/30/35/72/583303572.db2.gz RGLRIUPUOAGVTP-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO COC(=O)N1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000857253632 588901340 /nfs/dbraw/zinc/90/13/40/588901340.db2.gz PVBBSQSLSOKQOR-VIFPVBQESA-N 1 3 229.324 0.544 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C)CN1 ZINC000841849383 583367400 /nfs/dbraw/zinc/36/74/00/583367400.db2.gz PWYQUEFCEBSHDQ-WCABBAIRSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC1CCN(C)CC1 ZINC000894253492 583393593 /nfs/dbraw/zinc/39/35/93/583393593.db2.gz KEUAHBPCGJZYEH-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C[C@H]1C[NH3+] ZINC000841857257 583438398 /nfs/dbraw/zinc/43/83/98/583438398.db2.gz SONJYSRJRNCDAG-FOGDFJRCSA-N 1 3 243.326 0.131 20 0 BCADHO CNC(=O)CCCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141447 583475662 /nfs/dbraw/zinc/47/56/62/583475662.db2.gz IMXODQIAWMGENI-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)CCCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880141447 583475663 /nfs/dbraw/zinc/47/56/63/583475663.db2.gz IMXODQIAWMGENI-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCCNCC2)C1 ZINC000334953274 583597073 /nfs/dbraw/zinc/59/70/73/583597073.db2.gz SZAIUFXFYRAQCD-MNOVXSKESA-N 1 3 240.351 0.261 20 0 BCADHO C[C@H](CC[NH2+][C@@H]1CCNC(=O)CC1)N(C)C ZINC000895294606 583638026 /nfs/dbraw/zinc/63/80/26/583638026.db2.gz XICNRTAJMDHIAV-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC(=O)OC[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895429523 583668996 /nfs/dbraw/zinc/66/89/96/583668996.db2.gz OYWDBSPUKIIFAD-ZJUUUORDSA-N 1 3 216.325 0.868 20 0 BCADHO C[C@@H]1[C@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000895736256 583718552 /nfs/dbraw/zinc/71/85/52/583718552.db2.gz IRYMHTMHNILNMR-MWLCHTKSSA-N 1 3 221.304 0.500 20 0 BCADHO C[C@@H]1[C@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000895736256 583718553 /nfs/dbraw/zinc/71/85/53/583718553.db2.gz IRYMHTMHNILNMR-MWLCHTKSSA-N 1 3 221.304 0.500 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@H]2COCCO2)CC1(C)C ZINC000858100888 588932821 /nfs/dbraw/zinc/93/28/21/588932821.db2.gz QZMVEKFJSHHAJT-NEPJUHHUSA-N 1 3 242.363 0.864 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@H]2COCCO2)CC1(C)C ZINC000858100888 588932823 /nfs/dbraw/zinc/93/28/23/588932823.db2.gz QZMVEKFJSHHAJT-NEPJUHHUSA-N 1 3 242.363 0.864 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@@H]2COCCO2)CC1(C)C ZINC000858100889 588932875 /nfs/dbraw/zinc/93/28/75/588932875.db2.gz QZMVEKFJSHHAJT-NWDGAFQWSA-N 1 3 242.363 0.864 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@@H]2COCCO2)CC1(C)C ZINC000858100889 588932877 /nfs/dbraw/zinc/93/28/77/588932877.db2.gz QZMVEKFJSHHAJT-NWDGAFQWSA-N 1 3 242.363 0.864 20 0 BCADHO CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000729687087 584023261 /nfs/dbraw/zinc/02/32/61/584023261.db2.gz QKTOXJSZLQOBTA-NEPJUHHUSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729687087 584023263 /nfs/dbraw/zinc/02/32/63/584023263.db2.gz QKTOXJSZLQOBTA-NEPJUHHUSA-N 1 3 241.379 0.641 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000900831624 584355259 /nfs/dbraw/zinc/35/52/59/584355259.db2.gz KCEDLNMJVPFPHL-WOPDTQHZSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000900831624 584355260 /nfs/dbraw/zinc/35/52/60/584355260.db2.gz KCEDLNMJVPFPHL-WOPDTQHZSA-N 1 3 241.379 0.926 20 0 BCADHO CNC(=O)CCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902359605 584571315 /nfs/dbraw/zinc/57/13/15/584571315.db2.gz DZBHEIPWPNPHSC-LLVKDONJSA-N 1 3 241.379 0.880 20 0 BCADHO CNC(=O)CCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902359606 584571450 /nfs/dbraw/zinc/57/14/50/584571450.db2.gz DZBHEIPWPNPHSC-NSHDSACASA-N 1 3 241.379 0.880 20 0 BCADHO Cc1nc(CN)ccc1[C@H](C)NCC1([NH3+])CC1 ZINC000902407827 584575124 /nfs/dbraw/zinc/57/51/24/584575124.db2.gz VMUYPWTWQCYOCS-VIFPVBQESA-N 1 3 234.347 0.991 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383267 584577015 /nfs/dbraw/zinc/57/70/15/584577015.db2.gz KKLZPFGMDVSKPY-NWDGAFQWSA-N 1 3 244.379 0.752 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+]C[C@@H]2CNC(=O)C2)C1 ZINC000902390895 584582296 /nfs/dbraw/zinc/58/22/96/584582296.db2.gz QSRKYBGFORYKFP-MNOVXSKESA-N 1 3 239.363 0.490 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2CNCCO2)C1 ZINC000902394293 584583456 /nfs/dbraw/zinc/58/34/56/584583456.db2.gz UPPZYNJZCZDJJC-NEPJUHHUSA-N 1 3 241.379 0.343 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2COCCN2)C1 ZINC000902397022 584585158 /nfs/dbraw/zinc/58/51/58/584585158.db2.gz LUVTUYHBMIRFBM-NWDGAFQWSA-N 1 3 241.379 0.343 20 0 BCADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCON ZINC000902417135 584591366 /nfs/dbraw/zinc/59/13/66/584591366.db2.gz XENOQVPLIGSHBD-SECBINFHSA-N 1 3 238.335 0.780 20 0 BCADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000902431567 584595242 /nfs/dbraw/zinc/59/52/42/584595242.db2.gz FYSJFDHHAQROHP-MRVWCRGKSA-N 1 3 247.342 0.189 20 0 BCADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000902431564 584595569 /nfs/dbraw/zinc/59/55/69/584595569.db2.gz FYSJFDHHAQROHP-IACUBPJLSA-N 1 3 247.342 0.189 20 0 BCADHO N[C@@H]1c2ccccc2C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000902435536 584596455 /nfs/dbraw/zinc/59/64/55/584596455.db2.gz UUTLZLVSYSHWHL-CYZMBNFOSA-N 1 3 217.316 0.563 20 0 BCADHO CC1(C)C[C@@H](N)C[C@H]([NH2+]CCCON)C1 ZINC000902414886 584600382 /nfs/dbraw/zinc/60/03/82/584600382.db2.gz FSMXEEFIUVKDAS-UWVGGRQHSA-N 1 3 215.341 0.762 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474653 584601885 /nfs/dbraw/zinc/60/18/85/584601885.db2.gz HGLIZGVUWGEIHH-IGJDLRFWSA-N 1 3 235.375 0.952 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461038 584611791 /nfs/dbraw/zinc/61/17/91/584611791.db2.gz KRVAHMLNPMXFBN-NZEXEKPDSA-N 1 3 239.363 0.236 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902470822 584616249 /nfs/dbraw/zinc/61/62/49/584616249.db2.gz HGLIZGVUWGEIHH-SAUGFPQOSA-N 1 3 235.375 0.952 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503866 584621614 /nfs/dbraw/zinc/62/16/14/584621614.db2.gz LNELKRDVMABIFV-SDDRHHMPSA-N 1 3 212.337 0.864 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+]CC[C@H](O)C1CC1 ZINC000902506619 584621888 /nfs/dbraw/zinc/62/18/88/584621888.db2.gz YSJXQLLDNDSLOY-NGZCFLSTSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCC[C@H](O)C1CC1 ZINC000902506619 584621887 /nfs/dbraw/zinc/62/18/87/584621887.db2.gz YSJXQLLDNDSLOY-NGZCFLSTSA-N 1 3 200.326 0.863 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000902515177 584629477 /nfs/dbraw/zinc/62/94/77/584629477.db2.gz SYTZTTPEDPDUTP-WUHRBBMRSA-N 1 3 242.363 0.504 20 0 BCADHO C[NH+](C)CCCN[C@@H]1CCO[C@]12CCOC2 ZINC000903056184 584722459 /nfs/dbraw/zinc/72/24/59/584722459.db2.gz RHGJMRVBJFFIMX-NEPJUHHUSA-N 1 3 228.336 0.476 20 0 BCADHO CC(C)[C@H]1C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435469 584762071 /nfs/dbraw/zinc/76/20/71/584762071.db2.gz VGEOYRWXEKEECS-WOPDTQHZSA-N 1 3 239.363 0.570 20 0 BCADHO COC[C@](C)(CCO)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903440843 584763319 /nfs/dbraw/zinc/76/33/19/584763319.db2.gz FDRPQONIBYFOBG-WOPDTQHZSA-N 1 3 230.352 0.219 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CNC1(CO)CCCC1 ZINC000903460432 584766355 /nfs/dbraw/zinc/76/63/55/584766355.db2.gz CGINMSSYKXRTRL-MNOVXSKESA-N 1 3 212.337 0.737 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@H]1CCC[NH2+]1 ZINC000903451851 584771834 /nfs/dbraw/zinc/77/18/34/584771834.db2.gz FDPJBFUWATXUPC-BDAKNGLRSA-N 1 3 219.279 0.277 20 0 BCADHO CCC[C@H]1C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457243 584773841 /nfs/dbraw/zinc/77/38/41/584773841.db2.gz OTTZWHWEQMBBFS-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CNC(=O)CCCN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456714 584774146 /nfs/dbraw/zinc/77/41/46/584774146.db2.gz JTXWMIPALBXNCU-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO CO[C@H]1COCC[C@@H]1N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481808 584777989 /nfs/dbraw/zinc/77/79/89/584777989.db2.gz NKMGCWZDCUAFJH-VOAKCMCISA-N 1 3 242.363 0.578 20 0 BCADHO CON1CC[C@H](N2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499748 584779915 /nfs/dbraw/zinc/77/99/15/584779915.db2.gz ZKTQZNYGZGMXGA-MXWKQRLJSA-N 1 3 241.335 0.065 20 0 BCADHO C[C@@]1(C2CCN(CCC[NH3+])CC2)COC(=O)N1 ZINC000903563760 584781977 /nfs/dbraw/zinc/78/19/77/584781977.db2.gz LCUHOQSZAJCHEE-LBPRGKRZSA-N 1 3 241.335 0.546 20 0 BCADHO CC1(C)CN(C[C@@H]2CCC3(CNC3)O2)C[C@@H]1[NH3+] ZINC000903557320 584782913 /nfs/dbraw/zinc/78/29/13/584782913.db2.gz NORLXDQPGZVJNM-QWRGUYRKSA-N 1 3 239.363 0.177 20 0 BCADHO CO[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903731798 584792869 /nfs/dbraw/zinc/79/28/69/584792869.db2.gz CRXQWCKDSUGDSR-JHJVBQTASA-N 1 3 240.347 0.476 20 0 BCADHO COC[C@@](C)(CCO)NC[C@H]1CCCC[NH2+]C1 ZINC000903732803 584793031 /nfs/dbraw/zinc/79/30/31/584793031.db2.gz HZNKKCFEJAIXHX-QWHCGFSZSA-N 1 3 244.379 0.753 20 0 BCADHO OC[C@@H]1CCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903753046 584796021 /nfs/dbraw/zinc/79/60/21/584796021.db2.gz ZABCUYBIUKSADP-NEPJUHHUSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903753701 584796098 /nfs/dbraw/zinc/79/60/98/584796098.db2.gz XDQLTOZXRHHQEZ-YFKTTZPYSA-N 1 3 242.363 0.753 20 0 BCADHO CC[C@H](O)CN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805084 584802919 /nfs/dbraw/zinc/80/29/19/584802919.db2.gz LPZZGDBSZHLXNN-GRYCIOLGSA-N 1 3 212.337 0.961 20 0 BCADHO O[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C[C@H]1F ZINC000903839226 584807284 /nfs/dbraw/zinc/80/72/84/584807284.db2.gz JCXZKJIBYOWDCH-HBNTYKKESA-N 1 3 216.300 0.391 20 0 BCADHO COCCOCC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903858437 584810641 /nfs/dbraw/zinc/81/06/41/584810641.db2.gz YLVREWWHWZPYIT-NEPJUHHUSA-N 1 3 228.336 0.463 20 0 BCADHO COCCOCC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903858437 584810643 /nfs/dbraw/zinc/81/06/43/584810643.db2.gz YLVREWWHWZPYIT-NEPJUHHUSA-N 1 3 228.336 0.463 20 0 BCADHO CN(CCO)Cc1cccc2c1CC[NH2+]C2 ZINC000903873774 584816007 /nfs/dbraw/zinc/81/60/07/584816007.db2.gz XIGOGCALJSUTBW-UHFFFAOYSA-N 1 3 220.316 0.756 20 0 BCADHO NCCC[NH2+]C1(CC(N)=O)CCCCC1 ZINC000903874558 584816399 /nfs/dbraw/zinc/81/63/99/584816399.db2.gz DCDHKZGEELHNDT-UHFFFAOYSA-N 1 3 213.325 0.503 20 0 BCADHO NC(=O)CC1(NCCC[NH3+])CCCCC1 ZINC000903874558 584816400 /nfs/dbraw/zinc/81/64/00/584816400.db2.gz DCDHKZGEELHNDT-UHFFFAOYSA-N 1 3 213.325 0.503 20 0 BCADHO CC(C)C[C@H](CN)[NH2+]C[C@H](N)CC(F)F ZINC000903918096 584827172 /nfs/dbraw/zinc/82/71/72/584827172.db2.gz RRUTWNVLBKVINR-RKDXNWHRSA-N 1 3 223.311 0.932 20 0 BCADHO CC(C)C[C@@H](CN)[NH2+]C[C@H](N)CC(F)F ZINC000903918093 584827211 /nfs/dbraw/zinc/82/72/11/584827211.db2.gz RRUTWNVLBKVINR-BDAKNGLRSA-N 1 3 223.311 0.932 20 0 BCADHO COC[C@H](NCCC[NH3+])[C@H]1CCCOC1 ZINC000903959420 584827748 /nfs/dbraw/zinc/82/77/48/584827748.db2.gz HTMDXAXZQRETLP-QWRGUYRKSA-N 1 3 216.325 0.366 20 0 BCADHO COC[C@H]([NH2+]CCCN)[C@H]1CCCOC1 ZINC000903959420 584827750 /nfs/dbraw/zinc/82/77/50/584827750.db2.gz HTMDXAXZQRETLP-QWRGUYRKSA-N 1 3 216.325 0.366 20 0 BCADHO COC(=O)[C@]12CCC[C@H]1C[N@H+](CC(C)(C)N)C2 ZINC000903939765 584829038 /nfs/dbraw/zinc/82/90/38/584829038.db2.gz LYLKZDRMFDIQIO-GWCFXTLKSA-N 1 3 240.347 0.999 20 0 BCADHO COC(=O)[C@]12CCC[C@H]1C[N@@H+](CC(C)(C)N)C2 ZINC000903939765 584829039 /nfs/dbraw/zinc/82/90/39/584829039.db2.gz LYLKZDRMFDIQIO-GWCFXTLKSA-N 1 3 240.347 0.999 20 0 BCADHO Nc1ccnc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000903953662 584831432 /nfs/dbraw/zinc/83/14/32/584831432.db2.gz IOOKIWRPORPEHX-JTQLQIEISA-N 1 3 206.293 0.505 20 0 BCADHO C[C@H]([NH3+])C1CCN(Cc2ccc(N)nn2)CC1 ZINC000904299441 584860616 /nfs/dbraw/zinc/86/06/16/584860616.db2.gz DOBZHUOSJFNEMN-VIFPVBQESA-N 1 3 235.335 0.618 20 0 BCADHO C[C@@]1(CN2CC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904302879 584861671 /nfs/dbraw/zinc/86/16/71/584861671.db2.gz YCGMEZBJGROJCD-ZYHUDNBSSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C[N@@H+]2CC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904302879 584861673 /nfs/dbraw/zinc/86/16/73/584861673.db2.gz YCGMEZBJGROJCD-ZYHUDNBSSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C[N@H+]2CC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904302879 584861674 /nfs/dbraw/zinc/86/16/74/584861674.db2.gz YCGMEZBJGROJCD-ZYHUDNBSSA-N 1 3 225.336 0.183 20 0 BCADHO CC(C)NC(=O)CN(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303719 584862375 /nfs/dbraw/zinc/86/23/75/584862375.db2.gz DUDZYHOHCMGVSU-AOOOYVTPSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@H]1C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316446 584863492 /nfs/dbraw/zinc/86/34/92/584863492.db2.gz PMSNUZVRVPJZPP-AXFHLTTASA-N 1 3 225.336 0.180 20 0 BCADHO CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000904322732 584864422 /nfs/dbraw/zinc/86/44/22/584864422.db2.gz IVEUDDQQYABGHD-AOOOYVTPSA-N 1 3 225.336 0.276 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000904326916 584865068 /nfs/dbraw/zinc/86/50/68/584865068.db2.gz SYYXTYUCMHYNBU-WHOHXGKFSA-N 1 3 242.388 0.930 20 0 BCADHO C[C@@H](C(=O)NC(C)(C)C)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346093 584868608 /nfs/dbraw/zinc/86/86/08/584868608.db2.gz QQGABUXYYPURLW-GARJFASQSA-N 1 3 241.379 0.959 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCNC[C@H]2C(F)F)C1 ZINC000904350223 584869024 /nfs/dbraw/zinc/86/90/24/584869024.db2.gz IOMZKCWUNPUECG-YIZRAAEISA-N 1 3 219.279 0.263 20 0 BCADHO Cc1c(CN(C)C[C@H]2C[C@@H]([NH3+])C2)cnn1C ZINC000904350755 584869282 /nfs/dbraw/zinc/86/92/82/584869282.db2.gz OWXFZTXHODVWKT-KLPPZKSPSA-N 1 3 222.336 0.898 20 0 BCADHO Nc1ccc(CN[C@@H]2CC[C@H](C[NH3+])C2)nn1 ZINC000904354833 584870715 /nfs/dbraw/zinc/87/07/15/584870715.db2.gz JNOYYZNXJYQWFO-DTWKUNHWSA-N 1 3 221.308 0.276 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN[C@@H]2CNCCC2(F)F)C1 ZINC000904355640 584871348 /nfs/dbraw/zinc/87/13/48/584871348.db2.gz VLHFQLODXCSOCM-HRDYMLBCSA-N 1 3 219.279 0.311 20 0 BCADHO COCC(C)(C)CN1CCNCC[NH2+]CC1 ZINC000904396097 584875535 /nfs/dbraw/zinc/87/55/35/584875535.db2.gz DEIXUFBQFXKBKD-UHFFFAOYSA-N 1 3 229.368 0.154 20 0 BCADHO [NH3+]CC1CC(N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000904381424 584876721 /nfs/dbraw/zinc/87/67/21/584876721.db2.gz OOIYJCSGYZXEMI-CBINBANVSA-N 1 3 237.347 0.467 20 0 BCADHO Nc1ccnc(CNC2CCN(CC[NH3+])CC2)c1 ZINC000904385949 584877718 /nfs/dbraw/zinc/87/77/18/584877718.db2.gz LAYBJXRUXPVCFS-UHFFFAOYSA-N 1 3 249.362 0.177 20 0 BCADHO Nc1ccnc(CNC2CC(C[NH3+])C2)c1 ZINC000904386194 584878031 /nfs/dbraw/zinc/87/80/31/584878031.db2.gz RUWKXEUGMFKLJQ-UHFFFAOYSA-N 1 3 206.293 0.491 20 0 BCADHO COC[C@@H](C)C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420747 584882004 /nfs/dbraw/zinc/88/20/04/584882004.db2.gz WBAFGQXJRFLOHI-SDDRHHMPSA-N 1 3 212.337 0.810 20 0 BCADHO COC[C@@H](C)C[N@H+]1C[C@@H]2CCNC[C@@H]2C1 ZINC000904420747 584882005 /nfs/dbraw/zinc/88/20/05/584882005.db2.gz WBAFGQXJRFLOHI-SDDRHHMPSA-N 1 3 212.337 0.810 20 0 BCADHO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000876506679 584885561 /nfs/dbraw/zinc/88/55/61/584885561.db2.gz XMXDPGJHBPPYQV-ZYOFXKKJSA-N 1 3 237.347 0.364 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1C ZINC000876831777 584887415 /nfs/dbraw/zinc/88/74/15/584887415.db2.gz KATLHFNFMJPNSF-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877005293 584888727 /nfs/dbraw/zinc/88/87/27/584888727.db2.gz QYPWAFBZCKZQCG-ONGXEEELSA-N 1 3 237.347 0.528 20 0 BCADHO C[NH+](C)CCCCC(=O)NCCN1CCCC1 ZINC000741207611 585111233 /nfs/dbraw/zinc/11/12/33/585111233.db2.gz HPDXPENHXSHTKZ-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCC1 ZINC000762978972 585440623 /nfs/dbraw/zinc/44/06/23/585440623.db2.gz OCUALKLQHSSUQK-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000762978972 585440624 /nfs/dbraw/zinc/44/06/24/585440624.db2.gz OCUALKLQHSSUQK-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(C(=O)NCC(C)(C)[NH+](C)C)CCC1 ZINC000763009420 585441428 /nfs/dbraw/zinc/44/14/28/585441428.db2.gz LNWYMTOMRXFPJM-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH+]1CCC([C@@H]2CCN(Cn3cnnc3)C2)CC1 ZINC000776763881 585704684 /nfs/dbraw/zinc/70/46/84/585704684.db2.gz SUTQDMUDWSNSCI-CYBMUJFWSA-N 1 3 249.362 0.899 20 0 BCADHO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc(N)n1 ZINC000785836789 585881663 /nfs/dbraw/zinc/88/16/63/585881663.db2.gz GFJFGWLPPMNALB-UWVGGRQHSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc(N)n1 ZINC000785836789 585881664 /nfs/dbraw/zinc/88/16/64/585881664.db2.gz GFJFGWLPPMNALB-UWVGGRQHSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@H](C)N(C)C[C@@H]2C)nc(N)[nH+]1 ZINC000785836789 585881665 /nfs/dbraw/zinc/88/16/65/585881665.db2.gz GFJFGWLPPMNALB-UWVGGRQHSA-N 1 3 235.335 0.896 20 0 BCADHO COCC[NH+]1CCC(N2CCCOCC2)CC1 ZINC000786670588 585895993 /nfs/dbraw/zinc/89/59/93/585895993.db2.gz VRIXONMDVQPCRC-UHFFFAOYSA-N 1 3 242.363 0.820 20 0 BCADHO CC[C@H](CO)N1CCN(c2cc[nH+]cc2)CC1 ZINC000788327768 585922151 /nfs/dbraw/zinc/92/21/51/585922151.db2.gz RSPDLZLMBZSYHT-GFCCVEGCSA-N 1 3 235.331 0.975 20 0 BCADHO O[C@H](CN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000795096414 586068611 /nfs/dbraw/zinc/06/86/11/586068611.db2.gz WCZVEERXEOSPMK-CQSZACIVSA-N 1 3 247.342 0.975 20 0 BCADHO Cn1cc(CC[N@H+]2CC[C@@]3(CCN(C)C3)C2)nn1 ZINC000859313982 589030590 /nfs/dbraw/zinc/03/05/90/589030590.db2.gz AAQIGHVGVOPING-CYBMUJFWSA-N 1 3 249.362 0.385 20 0 BCADHO Cn1cc(CC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)nn1 ZINC000859313982 589030592 /nfs/dbraw/zinc/03/05/92/589030592.db2.gz AAQIGHVGVOPING-CYBMUJFWSA-N 1 3 249.362 0.385 20 0 BCADHO C[C@@H](C(N)=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178463 586165851 /nfs/dbraw/zinc/16/58/51/586165851.db2.gz VQGDRNMYCVURLK-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CCNCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000817860297 586830877 /nfs/dbraw/zinc/83/08/77/586830877.db2.gz FXALXQCKVHAXIG-MXWKQRLJSA-N 1 3 227.352 0.428 20 0 BCADHO COC(=O)N1CCC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000817903166 586835991 /nfs/dbraw/zinc/83/59/91/586835991.db2.gz JAQBJOKPDBHZAN-MXWKQRLJSA-N 1 3 243.351 0.933 20 0 BCADHO COC(=O)N1CCC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000817903166 586835994 /nfs/dbraw/zinc/83/59/94/586835994.db2.gz JAQBJOKPDBHZAN-MXWKQRLJSA-N 1 3 243.351 0.933 20 0 BCADHO C[C@H](NCCN1CCC[C@H]1C)C1C[NH2+]C1 ZINC000817912827 586838640 /nfs/dbraw/zinc/83/86/40/586838640.db2.gz JMCYMUBCGCFESI-MNOVXSKESA-N 1 3 211.353 0.668 20 0 BCADHO NCc1cccc(C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000818523960 586897288 /nfs/dbraw/zinc/89/72/88/586897288.db2.gz NSYGUYSJJZJCFQ-LBPRGKRZSA-N 1 3 233.315 0.612 20 0 BCADHO NCc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000818532506 586898625 /nfs/dbraw/zinc/89/86/25/586898625.db2.gz NBLSOPYVHHZBIV-GFCCVEGCSA-N 1 3 247.342 0.875 20 0 BCADHO NCc1cccc(C(=O)NCC[NH2+]C2CC2)c1 ZINC000818541083 586898936 /nfs/dbraw/zinc/89/89/36/586898936.db2.gz AEVTUWKYYAPMCS-UHFFFAOYSA-N 1 3 233.315 0.627 20 0 BCADHO CON(C)C(=O)CCN[C@H](C)CC[NH+](C)C ZINC000819060879 586928392 /nfs/dbraw/zinc/92/83/92/586928392.db2.gz QRPKMFCUVMFGAA-SNVBAGLBSA-N 1 3 231.340 0.326 20 0 BCADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cnnn1C ZINC000820810563 587073842 /nfs/dbraw/zinc/07/38/42/587073842.db2.gz ZGQDMIZZSQRFAT-WDEREUQCSA-N 1 3 237.351 0.808 20 0 BCADHO CC(C)[C@@H]1CN(C(=O)CN2CCCC2)CC[NH2+]1 ZINC000824778602 587286814 /nfs/dbraw/zinc/28/68/14/587286814.db2.gz LGRMQMQNAPWEMM-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000827777018 587401556 /nfs/dbraw/zinc/40/15/56/587401556.db2.gz KJTQISWFHXUCIG-PWSUYJOCSA-N 1 3 245.342 0.535 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000828256542 587428397 /nfs/dbraw/zinc/42/83/97/587428397.db2.gz DNYRBGQOLWSWPF-NSHDSACASA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000828256542 587428398 /nfs/dbraw/zinc/42/83/98/587428398.db2.gz DNYRBGQOLWSWPF-NSHDSACASA-N 1 3 231.315 0.144 20 0 BCADHO CN(C)CCNC(=O)NCCCCCC[NH3+] ZINC000831268247 587594729 /nfs/dbraw/zinc/59/47/29/587594729.db2.gz WHYZYZWBIJNLPL-UHFFFAOYSA-N 1 3 230.356 0.366 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000831860499 587634879 /nfs/dbraw/zinc/63/48/79/587634879.db2.gz VAOUFIKLVUJUOP-JQWIXIFHSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831971461 587640775 /nfs/dbraw/zinc/64/07/75/587640775.db2.gz XXJNZRAGARWUHD-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000831970264 587640818 /nfs/dbraw/zinc/64/08/18/587640818.db2.gz BDRQPXUHIKFDKW-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000831970622 587640940 /nfs/dbraw/zinc/64/09/40/587640940.db2.gz JUKMDHLZUBUPPY-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970630 587640949 /nfs/dbraw/zinc/64/09/49/587640949.db2.gz JWUNCSYGRLJUCV-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970630 587640950 /nfs/dbraw/zinc/64/09/50/587640950.db2.gz JWUNCSYGRLJUCV-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000832458420 587661382 /nfs/dbraw/zinc/66/13/82/587661382.db2.gz GTRTWGXZZOPTHC-UWVGGRQHSA-N 1 3 225.336 0.182 20 0 BCADHO NCc1cccc(C(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000834404743 587754541 /nfs/dbraw/zinc/75/45/41/587754541.db2.gz GCFMMILFZFWWBB-LBPRGKRZSA-N 1 3 233.315 0.612 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000834608653 587760517 /nfs/dbraw/zinc/76/05/17/587760517.db2.gz LUSBHHXBDUKMBD-GXSJLCMTSA-N 1 3 221.304 0.540 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000834608643 587760598 /nfs/dbraw/zinc/76/05/98/587760598.db2.gz KXGGNGCBFNLNNE-ONGXEEELSA-N 1 3 221.304 0.192 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H]1CNCc2ccccc21 ZINC000834623085 587761605 /nfs/dbraw/zinc/76/16/05/587761605.db2.gz SDSSOTIBTMUJGR-JOYOIKCWSA-N 1 3 233.315 0.337 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000834703518 587764700 /nfs/dbraw/zinc/76/47/00/587764700.db2.gz MHLWPHLKFZDGSB-CMPLNLGQSA-N 1 3 243.326 0.275 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000834703521 587764720 /nfs/dbraw/zinc/76/47/20/587764720.db2.gz MHLWPHLKFZDGSB-ZYHUDNBSSA-N 1 3 243.326 0.275 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000834791296 587767245 /nfs/dbraw/zinc/76/72/45/587767245.db2.gz GRLFLYUYLRFALL-KOLCDFICSA-N 1 3 237.347 0.385 20 0 BCADHO CN(C(=O)c1cccc(CN)c1)C1CC([NH3+])C1 ZINC000834834782 587768129 /nfs/dbraw/zinc/76/81/29/587768129.db2.gz MBEPKLFDTIFYJT-UHFFFAOYSA-N 1 3 233.315 0.707 20 0 BCADHO [NH3+][C@@H](CC(=O)N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000834846307 587768584 /nfs/dbraw/zinc/76/85/84/587768584.db2.gz RUTOHYDGCIZHCU-DTWKUNHWSA-N 1 3 247.289 0.227 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)c1cccc(CN)c1 ZINC000841848550 587977679 /nfs/dbraw/zinc/97/76/79/587977679.db2.gz LNGVYODBAGUQDE-LBPRGKRZSA-N 1 3 235.331 0.858 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000841851214 587978352 /nfs/dbraw/zinc/97/83/52/587978352.db2.gz GWVMFFFHQUNLRB-WCABBAIRSA-N 1 3 229.299 0.074 20 0 BCADHO CN(CC[NH3+])C(=O)c1cccc(CN)c1 ZINC000842510268 588031753 /nfs/dbraw/zinc/03/17/53/588031753.db2.gz PXHDMFREJZCTII-UHFFFAOYSA-N 1 3 207.277 0.176 20 0 BCADHO O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@@]1(F)CCNC1 ZINC000842514531 588032116 /nfs/dbraw/zinc/03/21/16/588032116.db2.gz XOEFKZLCVLNZKG-VXGBXAGGSA-N 1 3 241.310 0.043 20 0 BCADHO O=C(N1CC[C@]2(CCC[NH2+]2)C1)[C@]1(F)CCNC1 ZINC000842514528 588032311 /nfs/dbraw/zinc/03/23/11/588032311.db2.gz XOEFKZLCVLNZKG-NEPJUHHUSA-N 1 3 241.310 0.043 20 0 BCADHO COc1ncncc1CNCCCC[NH+](C)C ZINC000842673081 588051492 /nfs/dbraw/zinc/05/14/92/588051492.db2.gz IVFGFRSNIHPFOA-UHFFFAOYSA-N 1 3 238.335 0.917 20 0 BCADHO CCNCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843452632 588112113 /nfs/dbraw/zinc/11/21/13/588112113.db2.gz VKMTYOFLLRVZHE-ZACCUICWSA-N 1 3 225.336 0.337 20 0 BCADHO CCNCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843480011 588113790 /nfs/dbraw/zinc/11/37/90/588113790.db2.gz JULXGWOSXHIVKK-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1NCCN(C(=O)CCCCC[NH3+])[C@H]1C ZINC000843474353 588114106 /nfs/dbraw/zinc/11/41/06/588114106.db2.gz YNJHVAZWNGKGDW-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843484814 588114412 /nfs/dbraw/zinc/11/44/12/588114412.db2.gz LWSCTUYPRNLSSS-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000843481659 588114417 /nfs/dbraw/zinc/11/44/17/588114417.db2.gz LZNWZTLPHMBFPB-NSHDSACASA-N 1 3 231.315 0.322 20 0 BCADHO NC1(C(=O)NCCCCCC[NH3+])CCCC1 ZINC000843505824 588117168 /nfs/dbraw/zinc/11/71/68/588117168.db2.gz NSLDYZOXQQJLDP-UHFFFAOYSA-N 1 3 227.352 0.893 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000844170811 588171444 /nfs/dbraw/zinc/17/14/44/588171444.db2.gz DHHCTTZPHOKXNB-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000844170811 588171445 /nfs/dbraw/zinc/17/14/45/588171445.db2.gz DHHCTTZPHOKXNB-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@@]1(F)CCNC1 ZINC000844169911 588171726 /nfs/dbraw/zinc/17/17/26/588171726.db2.gz DUNNBYDHNCZONN-LLVKDONJSA-N 1 3 231.315 0.146 20 0 BCADHO CC[NH2+]CC(=O)NC[C@@H]1CCCCN1CC ZINC000844180639 588172571 /nfs/dbraw/zinc/17/25/71/588172571.db2.gz IRXRCDCFDWIPRU-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000844191050 588173002 /nfs/dbraw/zinc/17/30/02/588173002.db2.gz PJJWPMHAWYMIST-GXSJLCMTSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N(C)CCN1CCCCC1 ZINC000846172338 588259293 /nfs/dbraw/zinc/25/92/93/588259293.db2.gz KPFYXBODENLZAZ-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CCNCC(=O)NCCC1CC[NH2+]CC1 ZINC000846698930 588282324 /nfs/dbraw/zinc/28/23/24/588282324.db2.gz DCLSXCXHLRBWFC-UHFFFAOYSA-N 1 3 213.325 0.102 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000846692869 588283217 /nfs/dbraw/zinc/28/32/17/588283217.db2.gz ZUWBJKHKQMMAKI-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO CN[C@@H](C)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000848393910 588376238 /nfs/dbraw/zinc/37/62/38/588376238.db2.gz CQXMHPZJDQUOBG-VIFPVBQESA-N 1 3 237.303 0.571 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848431848 588384398 /nfs/dbraw/zinc/38/43/98/588384398.db2.gz PKPHDAIEOOYUKA-JBLDHEPKSA-N 1 3 239.363 0.583 20 0 BCADHO NC[C@@H](NC(=O)CCCCC[NH3+])C(F)(F)F ZINC000848438526 588385092 /nfs/dbraw/zinc/38/50/92/588385092.db2.gz VDTRUGHDHDIVFT-SSDOTTSWSA-N 1 3 241.257 0.511 20 0 BCADHO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@@H](N)C2)n1 ZINC000848720088 588408685 /nfs/dbraw/zinc/40/86/85/588408685.db2.gz JIBURTSHDGXDAR-GHMZBOCLSA-N 1 3 237.351 0.607 20 0 BCADHO Cn1ncc(CCCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000848720088 588408686 /nfs/dbraw/zinc/40/86/86/588408686.db2.gz JIBURTSHDGXDAR-GHMZBOCLSA-N 1 3 237.351 0.607 20 0 BCADHO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000848986538 588425875 /nfs/dbraw/zinc/42/58/75/588425875.db2.gz CYCYAPQVLHVEOA-MNOVXSKESA-N 1 3 242.367 0.620 20 0 BCADHO CCCNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987956 588426262 /nfs/dbraw/zinc/42/62/62/588426262.db2.gz SDKAEWJKLPYKPU-UHFFFAOYSA-N 1 3 242.367 0.357 20 0 BCADHO CCCNC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004585 588431810 /nfs/dbraw/zinc/43/18/10/588431810.db2.gz QBNPXVYTPNBLCN-JTQLQIEISA-N 1 3 212.341 0.852 20 0 BCADHO CN1CCC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849005406 588432001 /nfs/dbraw/zinc/43/20/01/588432001.db2.gz QQRVZRPOPOJTLU-JTQLQIEISA-N 1 3 210.325 0.558 20 0 BCADHO CN1CC[C@@](O)(CNC(=[NH2+])N2CCCCC2)C1 ZINC000849019075 588438131 /nfs/dbraw/zinc/43/81/31/588438131.db2.gz GMVCRKHBGXGYQF-GFCCVEGCSA-N 1 3 240.351 0.063 20 0 BCADHO C[C@@H]1CN(CCCNC(=[NH2+])N(C)C)CCCO1 ZINC000849022748 588439187 /nfs/dbraw/zinc/43/91/87/588439187.db2.gz VQUNBPBKOQARMS-LLVKDONJSA-N 1 3 242.367 0.573 20 0 BCADHO C[C@@H](CNC(=[NH2+])N(C)C1CC1)CN(C)C ZINC000849030735 588442855 /nfs/dbraw/zinc/44/28/55/588442855.db2.gz VMCYWDLWELIFHD-VIFPVBQESA-N 1 3 212.341 0.803 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000851663321 588613882 /nfs/dbraw/zinc/61/38/82/588613882.db2.gz APCMFEGNZWIHBA-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CC1(C)OC[C@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732060 588619642 /nfs/dbraw/zinc/61/96/42/588619642.db2.gz IJIOPNDIZDYLJZ-TUAOUCFPSA-N 1 3 240.347 0.679 20 0 BCADHO [NH3+]CC1CCN(CCOC(F)F)CC1 ZINC000852743570 588698370 /nfs/dbraw/zinc/69/83/70/588698370.db2.gz FSDJIJGZGDMUIR-UHFFFAOYSA-N 1 3 208.252 0.896 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCC[C@H]1C ZINC000852823232 588705650 /nfs/dbraw/zinc/70/56/50/588705650.db2.gz CVWBHSXDALDEPC-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000852851840 588708285 /nfs/dbraw/zinc/70/82/85/588708285.db2.gz JTYVYJATHUEAEX-SECBINFHSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H](CNC(=O)C=C1CC[NH2+]CC1)N(C)C ZINC000852862242 588709237 /nfs/dbraw/zinc/70/92/37/588709237.db2.gz XLXMVVNJNGJOEP-JTQLQIEISA-N 1 3 225.336 0.363 20 0 BCADHO NCc1cccc(C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000852866434 588709541 /nfs/dbraw/zinc/70/95/41/588709541.db2.gz XDFFVUYITPEDJX-UHFFFAOYSA-N 1 3 245.326 0.627 20 0 BCADHO N[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CC[C@H]1F ZINC000852869581 588709670 /nfs/dbraw/zinc/70/96/70/588709670.db2.gz IAOJCFTZWCRPQW-KXUCPTDWSA-N 1 3 229.299 0.012 20 0 BCADHO CCNCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000852918161 588713495 /nfs/dbraw/zinc/71/34/95/588713495.db2.gz XVGYIHIJKUIYEH-SECBINFHSA-N 1 3 201.314 0.086 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000861591898 589169256 /nfs/dbraw/zinc/16/92/56/589169256.db2.gz BYIHQLLKWXGAEH-DCAQKATOSA-N 1 3 242.367 0.458 20 0 BCADHO C[NH2+]CCOCCN[C@@H]1CCCc2n[nH]cc21 ZINC000863544505 589298056 /nfs/dbraw/zinc/29/80/56/589298056.db2.gz WDWMGJYOKVQYMX-LLVKDONJSA-N 1 3 238.335 0.613 20 0 BCADHO CC[C@@H](C(=O)N(C)CC[NH2+]C)N(C)C ZINC000863585285 589302111 /nfs/dbraw/zinc/30/21/11/589302111.db2.gz UMWCCCDJPVEPQQ-VIFPVBQESA-N 1 3 201.314 0.004 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864453719 589366151 /nfs/dbraw/zinc/36/61/51/589366151.db2.gz BCYOBBSABHOTLI-QWRGUYRKSA-N 1 3 242.367 0.477 20 0 BCADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@@H]1CCCN(C)C1 ZINC000864457266 589367330 /nfs/dbraw/zinc/36/73/30/589367330.db2.gz CCEUOIDUVOOVTN-VWYCJHECSA-N 1 3 224.352 0.851 20 0 BCADHO C[C@H]1C[C@H]1NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000864456681 589367504 /nfs/dbraw/zinc/36/75/04/589367504.db2.gz JPSPENXDHGTUAN-OUAUKWLOSA-N 1 3 224.352 0.851 20 0 BCADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NC[C@H]1CCCN(C)C1 ZINC000864457264 589367533 /nfs/dbraw/zinc/36/75/33/589367533.db2.gz CCEUOIDUVOOVTN-MXWKQRLJSA-N 1 3 224.352 0.851 20 0 BCADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCCNC(C)(C)C ZINC000864458577 589368443 /nfs/dbraw/zinc/36/84/43/589368443.db2.gz OBGPDBDRLNDOBH-IUCAKERBSA-N 1 3 212.341 0.897 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000866659504 589508048 /nfs/dbraw/zinc/50/80/48/589508048.db2.gz MNCCQHIUQCEIHX-WDEREUQCSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@@H](CN)[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659906 589508137 /nfs/dbraw/zinc/50/81/37/589508137.db2.gz XMRSKUATUWCXHR-JTQLQIEISA-N 1 3 235.331 0.607 20 0 BCADHO C[C@@H](CN)[N@@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000866659906 589508138 /nfs/dbraw/zinc/50/81/38/589508138.db2.gz XMRSKUATUWCXHR-JTQLQIEISA-N 1 3 235.331 0.607 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704016 589513606 /nfs/dbraw/zinc/51/36/06/589513606.db2.gz NUKIBUGMNUFISW-UTUOFQBUSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866704016 589513607 /nfs/dbraw/zinc/51/36/07/589513607.db2.gz NUKIBUGMNUFISW-UTUOFQBUSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000866704016 589513608 /nfs/dbraw/zinc/51/36/08/589513608.db2.gz NUKIBUGMNUFISW-UTUOFQBUSA-N 1 3 244.404 0.642 20 0 BCADHO CC1(C)C[C@H](O)CN(C[C@H]2CC[NH2+]C2)C1 ZINC000866703656 589513794 /nfs/dbraw/zinc/51/37/94/589513794.db2.gz NNHFCYQDWODYMG-QWRGUYRKSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@H](NC(=O)[C@H]1NCC1(C)C)C1CC[NH2+]CC1 ZINC000868012997 589544171 /nfs/dbraw/zinc/54/41/71/589544171.db2.gz YKTLYZBJIZNANT-GXSJLCMTSA-N 1 3 239.363 0.489 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000868036188 589545374 /nfs/dbraw/zinc/54/53/74/589545374.db2.gz UXWWMYMXCJTWPX-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000870907544 589695978 /nfs/dbraw/zinc/69/59/78/589695978.db2.gz YVSGLVHKLAHNFD-IQJOONFLSA-N 1 3 225.336 0.323 20 0 BCADHO [NH3+][C@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000870947915 589700881 /nfs/dbraw/zinc/70/08/81/589700881.db2.gz UVYSMCGUNJLYNY-MMWGEVLESA-N 1 3 243.326 0.320 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970840 589703219 /nfs/dbraw/zinc/70/32/19/589703219.db2.gz LZFIZBYEFBDOIA-MGCOHNPYSA-N 1 3 213.325 0.182 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971596 589703294 /nfs/dbraw/zinc/70/32/94/589703294.db2.gz FMMRSASCPHBCFV-AVGNSLFASA-N 1 3 247.342 0.410 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981485 589703323 /nfs/dbraw/zinc/70/33/23/589703323.db2.gz IXTCKXWOFKATSV-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981485 589703324 /nfs/dbraw/zinc/70/33/24/589703324.db2.gz IXTCKXWOFKATSV-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981525 589704893 /nfs/dbraw/zinc/70/48/93/589704893.db2.gz JGKAZQOBRMKGBL-IJLUTSLNSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981525 589704894 /nfs/dbraw/zinc/70/48/94/589704894.db2.gz JGKAZQOBRMKGBL-IJLUTSLNSA-N 1 3 239.363 0.522 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000870983625 589705532 /nfs/dbraw/zinc/70/55/32/589705532.db2.gz WYNDQZZZEHZDEV-UWVGGRQHSA-N 1 3 225.336 0.276 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000870983625 589705535 /nfs/dbraw/zinc/70/55/35/589705535.db2.gz WYNDQZZZEHZDEV-UWVGGRQHSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985684 589705812 /nfs/dbraw/zinc/70/58/12/589705812.db2.gz IPUHNGLGITVQSX-LLVKDONJSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)N(C)C ZINC000870986060 589705921 /nfs/dbraw/zinc/70/59/21/589705921.db2.gz DEOMRNFEXFBXRT-CMPLNLGQSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986110 589705992 /nfs/dbraw/zinc/70/59/92/589705992.db2.gz FJUHHOBFJMWDIZ-GXSJLCMTSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H](NC(=O)[C@]1(F)CCNC1)C1CC[NH2+]CC1 ZINC000870985970 589706047 /nfs/dbraw/zinc/70/60/47/589706047.db2.gz APPTWGVIMFDSHY-CABZTGNLSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985539 589706350 /nfs/dbraw/zinc/70/63/50/589706350.db2.gz FQXKDLOUYLVATB-NXEZZACHSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)C1CC[NH2+]CC1 ZINC000870987595 589706725 /nfs/dbraw/zinc/70/67/25/589706725.db2.gz ODXYBUFKVKUNCV-CABZTGNLSA-N 1 3 239.363 0.618 20 0 BCADHO COCCN(C)C(=[NH2+])NCC1=CCN(C)CC1 ZINC000871605888 589775247 /nfs/dbraw/zinc/77/52/47/589775247.db2.gz PORZCALMDOINJG-UHFFFAOYSA-N 1 3 240.351 0.351 20 0 BCADHO [NH3+]CCCCCCCN1CCCNC(=O)C1 ZINC000872156986 589885376 /nfs/dbraw/zinc/88/53/76/589885376.db2.gz FYBKNPHPVFTOFO-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)CC(C)(C)O)CC[N@@H+]1C ZINC000872204362 589891605 /nfs/dbraw/zinc/89/16/05/589891605.db2.gz OUHSBDPRZYLEEP-UTUOFQBUSA-N 1 3 244.379 0.581 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204362 589891607 /nfs/dbraw/zinc/89/16/07/589891607.db2.gz OUHSBDPRZYLEEP-UTUOFQBUSA-N 1 3 244.379 0.581 20 0 BCADHO CC[C@@H](C(=O)N1CC[NH2+]CCC1(C)C)N(C)C ZINC000872299773 589902865 /nfs/dbraw/zinc/90/28/65/589902865.db2.gz BHBXCFWVKHKLTH-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CCNCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872268565 589903303 /nfs/dbraw/zinc/90/33/03/589903303.db2.gz FDJNJDYNXZSMHM-JTQLQIEISA-N 1 3 227.352 0.490 20 0 BCADHO CC1(C)CCNCCN1C(=O)CC1([NH3+])CCC1 ZINC000872289795 589906357 /nfs/dbraw/zinc/90/63/57/589906357.db2.gz FDZVYBZGQNLAPG-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[NH2+]CC1CC1 ZINC000872290343 589906876 /nfs/dbraw/zinc/90/68/76/589906876.db2.gz MIDODFKAMDAVLE-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000872297580 589907898 /nfs/dbraw/zinc/90/78/98/589907898.db2.gz QVKOGKVPCBYZGG-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000872297930 589907948 /nfs/dbraw/zinc/90/79/48/589907948.db2.gz YZXOHAMRANFTQX-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CC1(C)CCNCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000872301850 589908299 /nfs/dbraw/zinc/90/82/99/589908299.db2.gz WKXXGTIYIHKBSI-NSHDSACASA-N 1 3 237.347 0.634 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCNCCC1(C)C ZINC000872298896 589908326 /nfs/dbraw/zinc/90/83/26/589908326.db2.gz WDYASYDUZMXZDZ-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCNCCC1(C)C ZINC000872298891 589908366 /nfs/dbraw/zinc/90/83/66/589908366.db2.gz VWBRJNZJZASZHH-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO c1c(CN[C@H]2CC[NH2+]C2)sc2c1CNCC2 ZINC000873211374 589996231 /nfs/dbraw/zinc/99/62/31/589996231.db2.gz ZJGJWPXZUPQBOE-JTQLQIEISA-N 1 3 237.372 0.845 20 0 BCADHO CC(C)[C@H](C[NH3+])CN[C@@H]1CNCCC1(F)F ZINC000873211721 589996354 /nfs/dbraw/zinc/99/63/54/589996354.db2.gz DFBUYDLRPXHFTO-NXEZZACHSA-N 1 3 235.322 0.804 20 0 BCADHO CC1(CNCc2cnc(N)cn2)CC[NH2+]CC1 ZINC000873212186 589996410 /nfs/dbraw/zinc/99/64/10/589996410.db2.gz JJWJPAUMOUWIEW-UHFFFAOYSA-N 1 3 235.335 0.538 20 0 BCADHO Nc1cnc(CNCCC[C@@H]2CCC[NH2+]2)cn1 ZINC000873212963 589996927 /nfs/dbraw/zinc/99/69/27/589996927.db2.gz SFVVEKMQRGVLJN-SNVBAGLBSA-N 1 3 235.335 0.681 20 0 BCADHO Nc1cnc(CNC[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000873213432 589996965 /nfs/dbraw/zinc/99/69/65/589996965.db2.gz ZLDSCNRWGMXVSN-XYPYZODXSA-N 1 3 249.362 0.914 20 0 BCADHO Nc1cnc(CNCCC2(C[NH3+])CC2)cn1 ZINC000873213613 589997261 /nfs/dbraw/zinc/99/72/61/589997261.db2.gz JIBRCWVXGCFPOQ-UHFFFAOYSA-N 1 3 221.308 0.277 20 0 BCADHO Nc1cnc(CNCCCCCC[NH3+])cn1 ZINC000873214059 589997269 /nfs/dbraw/zinc/99/72/69/589997269.db2.gz WJQPPKSMIDSSHT-UHFFFAOYSA-N 1 3 223.324 0.668 20 0 BCADHO C([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C12CC(C1)CN2 ZINC000873215930 589998466 /nfs/dbraw/zinc/99/84/66/589998466.db2.gz HMRMMKIVNFLJTA-ATHRMBBZSA-N 1 3 234.343 0.751 20 0 BCADHO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N)C1 ZINC000873236162 590004267 /nfs/dbraw/zinc/00/42/67/590004267.db2.gz VIYMKUXBLJPBKG-SRVKXCTJSA-N 1 3 241.379 0.301 20 0 BCADHO C[C@@H](N[C@H]1CCN(CC(C)(C)O)C1)C1C[NH2+]C1 ZINC000873236418 590004793 /nfs/dbraw/zinc/00/47/93/590004793.db2.gz XLNFKCKCWNLFBE-PWSUYJOCSA-N 1 3 241.379 0.029 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245985 590006746 /nfs/dbraw/zinc/00/67/46/590006746.db2.gz QVJGULSJBWXKCF-MNOVXSKESA-N 1 3 241.379 0.879 20 0 BCADHO C[C@H](NC[C@@H]1Cc2ccccc2CN1)C1C[NH2+]C1 ZINC000873297199 590025357 /nfs/dbraw/zinc/02/53/57/590025357.db2.gz TYCZSNCBDORPSG-NHYWBVRUSA-N 1 3 245.370 0.898 20 0 BCADHO C[NH+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000874300737 590102818 /nfs/dbraw/zinc/10/28/18/590102818.db2.gz ACSYKWIMVDDBGU-LBPRGKRZSA-N 1 3 239.363 0.635 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876710406 590232851 /nfs/dbraw/zinc/23/28/51/590232851.db2.gz KBKQEWDFMHJOHR-QWRGUYRKSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)N(C)C ZINC000876736537 590234093 /nfs/dbraw/zinc/23/40/93/590234093.db2.gz VMJFAHGMXRFJNS-BBBLOLIVSA-N 1 3 231.315 0.000 20 0 BCADHO C[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)N(C)C ZINC000876736539 590234213 /nfs/dbraw/zinc/23/42/13/590234213.db2.gz VMJFAHGMXRFJNS-KXUCPTDWSA-N 1 3 231.315 0.000 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000876734066 590234623 /nfs/dbraw/zinc/23/46/23/590234623.db2.gz OKJMZYRGKURZQU-DCAQKATOSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000876830739 590247131 /nfs/dbraw/zinc/24/71/31/590247131.db2.gz QWJMOMZWPVYAPB-VIFPVBQESA-N 1 3 215.341 0.428 20 0 BCADHO CN(C)CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876848393 590249468 /nfs/dbraw/zinc/24/94/68/590249468.db2.gz RVTUXDPSNSXYIF-MVIFTORASA-N 1 3 225.336 0.220 20 0 BCADHO CN(C)CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876848392 590249485 /nfs/dbraw/zinc/24/94/85/590249485.db2.gz RVTUXDPSNSXYIF-ISALQUGTSA-N 1 3 225.336 0.220 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000876857769 590249991 /nfs/dbraw/zinc/24/99/91/590249991.db2.gz VUIWPWWNRIZTRM-AXTSPUMRSA-N 1 3 243.326 0.176 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000876865177 590251678 /nfs/dbraw/zinc/25/16/78/590251678.db2.gz VAJCRGLXCFBIES-SFYZADRCSA-N 1 3 235.278 0.098 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000876956278 590260807 /nfs/dbraw/zinc/26/08/07/590260807.db2.gz ITFKJRIRYUYEON-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877005292 590268142 /nfs/dbraw/zinc/26/81/42/590268142.db2.gz QYPWAFBZCKZQCG-MWLCHTKSSA-N 1 3 237.347 0.528 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000877095653 590281950 /nfs/dbraw/zinc/28/19/50/590281950.db2.gz NYIIBQBIKRVDAZ-JGVFFNPUSA-N 1 3 201.314 0.165 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000877095027 590282146 /nfs/dbraw/zinc/28/21/46/590282146.db2.gz GTVNNLALYVQYMY-ZYHUDNBSSA-N 1 3 235.331 0.362 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000877095804 590282176 /nfs/dbraw/zinc/28/21/76/590282176.db2.gz RWUSFIGZQMMEKH-JQWIXIFHSA-N 1 3 235.331 0.535 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)c1ccc2c(c1)CNC2 ZINC000877102479 590283720 /nfs/dbraw/zinc/28/37/20/590283720.db2.gz IUIVZPWKTHVSBK-SECBINFHSA-N 1 3 233.315 0.709 20 0 BCADHO [NH3+][C@H]1CCCCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000877128600 590290111 /nfs/dbraw/zinc/29/01/11/590290111.db2.gz IEYVYGXFXDQPOA-JQWIXIFHSA-N 1 3 243.326 0.418 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158192 590293793 /nfs/dbraw/zinc/29/37/93/590293793.db2.gz PICQIBZYKKLZRB-QWRGUYRKSA-N 1 3 241.379 0.864 20 0 BCADHO CNCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157525 590294000 /nfs/dbraw/zinc/29/40/00/590294000.db2.gz HXQYJQQLQMRNOB-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO NCc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000877167766 590295466 /nfs/dbraw/zinc/29/54/66/590295466.db2.gz ISHIBDXYLIMCJJ-RYUDHWBXSA-N 1 3 231.299 0.332 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1cccc(CN)c1 ZINC000877174123 590296872 /nfs/dbraw/zinc/29/68/72/590296872.db2.gz AOPLNSMQNWFDSE-SKDRFNHKSA-N 1 3 233.315 0.707 20 0 BCADHO CCNCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179027 590297535 /nfs/dbraw/zinc/29/75/35/590297535.db2.gz HUPKVFCOAADKBO-MGCOHNPYSA-N 1 3 213.325 0.230 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179694 590298164 /nfs/dbraw/zinc/29/81/64/590298164.db2.gz HKYYHQZRKXTFBB-NHCYSSNCSA-N 1 3 239.363 0.761 20 0 BCADHO [NH3+]CC12CCC(CC1)N2C(=O)CNC1CC1 ZINC000877188110 590299244 /nfs/dbraw/zinc/29/92/44/590299244.db2.gz PDLFNKFHNHDXTK-UHFFFAOYSA-N 1 3 223.320 0.221 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243417 590302581 /nfs/dbraw/zinc/30/25/81/590302581.db2.gz KTZXTHSRUFOCEY-GMTAPVOTSA-N 1 3 239.363 0.618 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242325 590302633 /nfs/dbraw/zinc/30/26/33/590302633.db2.gz AFJNGUSWPPFWCB-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243407 590302889 /nfs/dbraw/zinc/30/28/89/590302889.db2.gz KHTREEAJRYFYES-XWLWVQCSSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H](NC(=O)[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000877253159 590304324 /nfs/dbraw/zinc/30/43/24/590304324.db2.gz MIPGHIAZEJOFIE-ZYHUDNBSSA-N 1 3 239.363 0.633 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877282442 590306870 /nfs/dbraw/zinc/30/68/70/590306870.db2.gz LWJUKACJYUTIJD-WDEREUQCSA-N 1 3 223.320 0.091 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877284749 590306973 /nfs/dbraw/zinc/30/69/73/590306973.db2.gz VZKKAZGWQUVWQI-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877340021 590317681 /nfs/dbraw/zinc/31/76/81/590317681.db2.gz ITLLYVXJNOCFFL-GWCFXTLKSA-N 1 3 247.342 0.425 20 0 BCADHO O=C(NC[C@H]1Cc2ccccc2CN1)[C@H]1CC[NH2+]1 ZINC000877342599 590317889 /nfs/dbraw/zinc/31/78/89/590317889.db2.gz DQEQXWXHCDQNOP-CHWSQXEVSA-N 1 3 245.326 0.179 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877339154 590317953 /nfs/dbraw/zinc/31/79/53/590317953.db2.gz SZNAXIYKAXTSGP-ZWNOBZJWSA-N 1 3 247.342 0.554 20 0 BCADHO [NH3+]CCCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877347899 590319059 /nfs/dbraw/zinc/31/90/59/590319059.db2.gz VUCAOYSLPNBHJQ-CYBMUJFWSA-N 1 3 247.342 0.556 20 0 BCADHO C[NH2+]CCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877344369 590319179 /nfs/dbraw/zinc/31/91/79/590319179.db2.gz XSSAKNGDTXZWIJ-CYBMUJFWSA-N 1 3 247.342 0.427 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000877379752 590319604 /nfs/dbraw/zinc/31/96/04/590319604.db2.gz MAVLSZWWBWBOPS-DMDPSCGWSA-N 1 3 237.347 0.196 20 0 BCADHO O=C(CNC1CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390434 590321322 /nfs/dbraw/zinc/32/13/22/590321322.db2.gz KNFAFFUKIQRXPN-PWSUYJOCSA-N 1 3 223.320 0.139 20 0 BCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393446 590322387 /nfs/dbraw/zinc/32/23/87/590322387.db2.gz XUWBQPXYZCMKCV-YPMHNXCESA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877438057 590327945 /nfs/dbraw/zinc/32/79/45/590327945.db2.gz IFFBHQRYKXBODI-SNVBAGLBSA-N 1 3 215.341 0.701 20 0 BCADHO CN1CCC2(CC[N@H+](CC[S@@](C)=O)C2)CC1 ZINC000878863756 590634959 /nfs/dbraw/zinc/63/49/59/590634959.db2.gz DZGRMJSPJBUBKD-MRXNPFEDSA-N 1 3 244.404 0.783 20 0 BCADHO CN1CCC2(CC[N@@H+](CC[S@@](C)=O)C2)CC1 ZINC000878863756 590634962 /nfs/dbraw/zinc/63/49/62/590634962.db2.gz DZGRMJSPJBUBKD-MRXNPFEDSA-N 1 3 244.404 0.783 20 0 BCADHO COCC[N@H+](C[C@@H](C)O)CC1CCN(C)CC1 ZINC000879126617 590699608 /nfs/dbraw/zinc/69/96/08/590699608.db2.gz LGUFEPHXJKUTHU-GFCCVEGCSA-N 1 3 244.379 0.657 20 0 BCADHO COCC[N@@H+](C[C@@H](C)O)CC1CCN(C)CC1 ZINC000879126617 590699612 /nfs/dbraw/zinc/69/96/12/590699612.db2.gz LGUFEPHXJKUTHU-GFCCVEGCSA-N 1 3 244.379 0.657 20 0 BCADHO CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879573764 590810952 /nfs/dbraw/zinc/81/09/52/590810952.db2.gz RCUJKGZVFOUZPS-GRYCIOLGSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879573764 590810954 /nfs/dbraw/zinc/81/09/54/590810954.db2.gz RCUJKGZVFOUZPS-GRYCIOLGSA-N 1 3 212.337 0.783 20 0 BCADHO CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879570782 590811206 /nfs/dbraw/zinc/81/12/06/590811206.db2.gz IRSZLTNQBGDNPD-QWHCGFSZSA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)NCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879570782 590811209 /nfs/dbraw/zinc/81/12/09/590811209.db2.gz IRSZLTNQBGDNPD-QWHCGFSZSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C(=O)CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880132932 590934004 /nfs/dbraw/zinc/93/40/04/590934004.db2.gz RDMGQQYBVDBKOD-RYUDHWBXSA-N 1 3 239.363 0.633 20 0 BCADHO CN(C)C(=O)CCN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880132932 590934006 /nfs/dbraw/zinc/93/40/06/590934006.db2.gz RDMGQQYBVDBKOD-RYUDHWBXSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H]1CN(CCCO)CCN1c1cc[nH+]cc1 ZINC000880261397 590980827 /nfs/dbraw/zinc/98/08/27/590980827.db2.gz JTHWHJBSWFWPNN-LBPRGKRZSA-N 1 3 235.331 0.975 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000130672598 591496149 /nfs/dbraw/zinc/49/61/49/591496149.db2.gz ZWSRYWUTIITEOR-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000130672819 591496267 /nfs/dbraw/zinc/49/62/67/591496267.db2.gz ZWSRYWUTIITEOR-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CN(C[C@H]1CCCN1C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883433945 591664206 /nfs/dbraw/zinc/66/42/06/591664206.db2.gz CGSFTRNAZUFHEB-SDDRHHMPSA-N 1 3 229.343 0.712 20 0 BCADHO CO[C@@H]1COCC[C@@H]1N(C)C[C@H]1CC[NH2+]C1 ZINC000883461030 591673796 /nfs/dbraw/zinc/67/37/96/591673796.db2.gz MKYYDODJZWPLHJ-SDDRHHMPSA-N 1 3 228.336 0.332 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132872854 591744227 /nfs/dbraw/zinc/74/42/27/591744227.db2.gz CRUZKQQMAWLECE-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132872854 591744229 /nfs/dbraw/zinc/74/42/29/591744229.db2.gz CRUZKQQMAWLECE-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884006286 591794364 /nfs/dbraw/zinc/79/43/64/591794364.db2.gz MIPGOHONMKDEBT-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO COCC[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000884007665 591795232 /nfs/dbraw/zinc/79/52/32/591795232.db2.gz JSSNXQWRLQZUTQ-SNVBAGLBSA-N 1 3 243.351 0.128 20 0 BCADHO COCC[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000884007664 591795976 /nfs/dbraw/zinc/79/59/76/591795976.db2.gz JSSNXQWRLQZUTQ-JTQLQIEISA-N 1 3 243.351 0.128 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H](N)CC1CC1 ZINC000884013732 591798884 /nfs/dbraw/zinc/79/88/84/591798884.db2.gz QVZSVFRNYUOALN-DLOVCJGASA-N 1 3 239.363 0.842 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000884012135 591798966 /nfs/dbraw/zinc/79/89/66/591798966.db2.gz AJTXOFKENOBRIB-NSHDSACASA-N 1 3 225.336 0.230 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)CC1CC1 ZINC000884014627 591799617 /nfs/dbraw/zinc/79/96/17/591799617.db2.gz SERHHSLPSRLXCZ-JTQLQIEISA-N 1 3 213.325 0.230 20 0 BCADHO CCN1CCN(c2cc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000133491488 591804649 /nfs/dbraw/zinc/80/46/49/591804649.db2.gz SYVLSFAHCYIAAG-JTQLQIEISA-N 1 3 235.335 0.898 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000884026741 591810250 /nfs/dbraw/zinc/81/02/50/591810250.db2.gz KVLHBHKUHJJJNI-GHMZBOCLSA-N 1 3 225.336 0.230 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC1(C[NH3+])CCCC1 ZINC000884029944 591813547 /nfs/dbraw/zinc/81/35/47/591813547.db2.gz AWQPCKPHVSZRTG-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC1(C[NH3+])CCCC1 ZINC000884029945 591814180 /nfs/dbraw/zinc/81/41/80/591814180.db2.gz AWQPCKPHVSZRTG-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884036385 591817326 /nfs/dbraw/zinc/81/73/26/591817326.db2.gz UNDYRIONHDNZEX-JQWIXIFHSA-N 1 3 227.352 0.603 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000884253494 591885003 /nfs/dbraw/zinc/88/50/03/591885003.db2.gz MCWAIXHTGPMGPT-NSHDSACASA-N 1 3 223.320 0.150 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000884277405 591892365 /nfs/dbraw/zinc/89/23/65/591892365.db2.gz NTOZMVJXAFPPGR-VXGBXAGGSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884279559 591892420 /nfs/dbraw/zinc/89/24/20/591892420.db2.gz OEABTESGRLJNHZ-PWSUYJOCSA-N 1 3 225.336 0.311 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884286473 591893387 /nfs/dbraw/zinc/89/33/87/591893387.db2.gz FJKMDFWNUAVHNI-RYUDHWBXSA-N 1 3 239.363 0.844 20 0 BCADHO CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000884292694 591896221 /nfs/dbraw/zinc/89/62/21/591896221.db2.gz IYEOYKALDJFKKV-GUBZILKMSA-N 1 3 243.326 0.048 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884296343 591896823 /nfs/dbraw/zinc/89/68/23/591896823.db2.gz VKHBUWPLUATVLT-WPRPVWTQSA-N 1 3 213.325 0.357 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000884302399 591899449 /nfs/dbraw/zinc/89/94/49/591899449.db2.gz PYLHCTYIHUNFGE-GMTAPVOTSA-N 1 3 225.336 0.357 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884302626 591899597 /nfs/dbraw/zinc/89/95/97/591899597.db2.gz VDZLCOLDGQPHJJ-WDEREUQCSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884302624 591899662 /nfs/dbraw/zinc/89/96/62/591899662.db2.gz VDZLCOLDGQPHJJ-MNOVXSKESA-N 1 3 239.363 0.618 20 0 BCADHO CN(C(=O)[C@@H](N)CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000884338622 591905445 /nfs/dbraw/zinc/90/54/45/591905445.db2.gz NVAOMGVHDZJUEA-QWRGUYRKSA-N 1 3 225.336 0.310 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336888 591905489 /nfs/dbraw/zinc/90/54/89/591905489.db2.gz ZGXUDLVBTKDXLW-NEPJUHHUSA-N 1 3 239.363 0.748 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1(N)CCCC1 ZINC000884348232 591910142 /nfs/dbraw/zinc/91/01/42/591910142.db2.gz RLSVFWRHQWYXEF-BDAKNGLRSA-N 1 3 225.336 0.500 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000884358858 591912994 /nfs/dbraw/zinc/91/29/94/591912994.db2.gz ZNUCGPISUYEMDO-DCAQKATOSA-N 1 3 241.379 0.815 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884360312 591913922 /nfs/dbraw/zinc/91/39/22/591913922.db2.gz YFAZLZIPFJOPCK-XHNCKOQMSA-N 1 3 213.325 0.212 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)CC1CC1 ZINC000884372576 591918625 /nfs/dbraw/zinc/91/86/25/591918625.db2.gz PLRRPZHNTOPXSM-OYNCUSHFSA-N 1 3 213.325 0.356 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000884384643 591921740 /nfs/dbraw/zinc/92/17/40/591921740.db2.gz SIGYAHLVCJNBLT-SNVBAGLBSA-N 1 3 225.336 0.359 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)CC1CC1 ZINC000884396464 591924736 /nfs/dbraw/zinc/92/47/36/591924736.db2.gz DNRYUBNGOYYSBV-VIFPVBQESA-N 1 3 213.325 0.310 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884459681 591941090 /nfs/dbraw/zinc/94/10/90/591941090.db2.gz IUOBIXYHZUXUBQ-SRVKXCTJSA-N 1 3 239.363 0.748 20 0 BCADHO C(N[C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000216291368 592016986 /nfs/dbraw/zinc/01/69/86/592016986.db2.gz PCWHBXFTWOPZJW-QWRGUYRKSA-N 1 3 210.321 0.849 20 0 BCADHO C(N[C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000216291368 592016989 /nfs/dbraw/zinc/01/69/89/592016989.db2.gz PCWHBXFTWOPZJW-QWRGUYRKSA-N 1 3 210.321 0.849 20 0 BCADHO Cc1c[nH+]ccc1NCCN(C)CCO ZINC000884825090 592023620 /nfs/dbraw/zinc/02/36/20/592023620.db2.gz DPQHJPGHFAOJNV-UHFFFAOYSA-N 1 3 209.293 0.148 20 0 BCADHO [NH3+]C1CCN(C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886827256 592351065 /nfs/dbraw/zinc/35/10/65/592351065.db2.gz HVBQGOMQELWKBU-ZYHUDNBSSA-N 1 3 210.321 0.836 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828195 592352326 /nfs/dbraw/zinc/35/23/26/592352326.db2.gz ZABDFWCUDOHTHV-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828195 592352331 /nfs/dbraw/zinc/35/23/31/592352331.db2.gz ZABDFWCUDOHTHV-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886828195 592352335 /nfs/dbraw/zinc/35/23/35/592352335.db2.gz ZABDFWCUDOHTHV-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)CCCO1 ZINC000886839915 592359845 /nfs/dbraw/zinc/35/98/45/592359845.db2.gz OPCWVGPRIMSHBO-XQQFMLRXSA-N 1 3 240.347 0.463 20 0 BCADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1CN ZINC000886841825 592362315 /nfs/dbraw/zinc/36/23/15/592362315.db2.gz XBXHDDWOULTSLG-FVCCEPFGSA-N 1 3 224.348 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]23CCOC3)C[C@H]1CN ZINC000886841825 592362320 /nfs/dbraw/zinc/36/23/20/592362320.db2.gz XBXHDDWOULTSLG-FVCCEPFGSA-N 1 3 224.348 0.940 20 0 BCADHO CN1CCC[C@@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887354209 592487007 /nfs/dbraw/zinc/48/70/07/592487007.db2.gz UHERWONSQYXOSS-QMMMGPOBSA-N 1 3 234.294 0.707 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223310127 592526569 /nfs/dbraw/zinc/52/65/69/592526569.db2.gz TWRJGHHRVKSJLW-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000223310127 592526571 /nfs/dbraw/zinc/52/65/71/592526571.db2.gz TWRJGHHRVKSJLW-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO [NH3+][C@H](CC1CC1)C(=O)NCCN1CCCCC1 ZINC000302683925 592551722 /nfs/dbraw/zinc/55/17/22/592551722.db2.gz QSLSVNAPNBRWQL-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO Cn1cnc(CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925702369 634378530 /nfs/dbraw/zinc/37/85/30/634378530.db2.gz BWGCDQJQPVYGPC-MNOVXSKESA-N 1 3 249.362 0.607 20 0 BCADHO C[NH2+]CCCN1CCCCC[C@@H]1CO ZINC000124775483 634432923 /nfs/dbraw/zinc/43/29/23/634432923.db2.gz DGBLSRBJCWJEGF-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027070472 634435660 /nfs/dbraw/zinc/43/56/60/634435660.db2.gz RRRGQPNZPMBAHV-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CN1CCC[C@H]1CN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716577 634449296 /nfs/dbraw/zinc/44/92/96/634449296.db2.gz AJUJMBSUYJVSBI-TUAOUCFPSA-N 1 3 223.364 0.940 20 0 BCADHO N[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638355 634502909 /nfs/dbraw/zinc/50/29/09/634502909.db2.gz KGHJXGZJWAVPED-DGCLKSJQSA-N 1 3 237.347 0.468 20 0 BCADHO N[C@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638356 634503517 /nfs/dbraw/zinc/50/35/17/634503517.db2.gz KGHJXGZJWAVPED-WCQYABFASA-N 1 3 237.347 0.468 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461551 634546002 /nfs/dbraw/zinc/54/60/02/634546002.db2.gz SYTZTTPEDPDUTP-QNWHQSFQSA-N 1 3 242.363 0.504 20 0 BCADHO CC(C)N(C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012108 634555918 /nfs/dbraw/zinc/55/59/18/634555918.db2.gz UDEGMVHKAFVLOW-LLVKDONJSA-N 1 3 213.325 0.195 20 0 BCADHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000219297589 635273973 /nfs/dbraw/zinc/27/39/73/635273973.db2.gz GVPGTVUYJRBCTL-WVMKXHBISA-N 1 3 242.363 0.863 20 0 BCADHO COC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000219297589 635273977 /nfs/dbraw/zinc/27/39/77/635273977.db2.gz GVPGTVUYJRBCTL-WVMKXHBISA-N 1 3 242.363 0.863 20 0 BCADHO CC(C)(C[NH3+])C(=O)NCCN1CCCC1 ZINC000054129030 635554488 /nfs/dbraw/zinc/55/44/88/635554488.db2.gz MZELCNBXMYEWKA-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000925888919 635614875 /nfs/dbraw/zinc/61/48/75/635614875.db2.gz HCHGEHSXYVAZRL-JBLDHEPKSA-N 1 3 238.335 0.313 20 0 BCADHO CNC(=O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743355 631502496 /nfs/dbraw/zinc/50/24/96/631502496.db2.gz OFBBCKAISKJSNQ-CMPLNLGQSA-N 1 3 225.336 0.006 20 0 BCADHO CNC(=O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743355 631502501 /nfs/dbraw/zinc/50/25/01/631502501.db2.gz OFBBCKAISKJSNQ-CMPLNLGQSA-N 1 3 225.336 0.006 20 0 BCADHO CN(CC[C@@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919000 632011776 /nfs/dbraw/zinc/01/17/76/632011776.db2.gz GYHRMVXVMKEKQG-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC[C@H](C)NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122302671 633206672 /nfs/dbraw/zinc/20/66/72/633206672.db2.gz SMCCBDBBJSPTQV-GRYCIOLGSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000304334576 635939505 /nfs/dbraw/zinc/93/95/05/635939505.db2.gz ICSFPLKSXOYREI-GHMZBOCLSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000304334576 635939506 /nfs/dbraw/zinc/93/95/06/635939506.db2.gz ICSFPLKSXOYREI-GHMZBOCLSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@@H]2COCO2)CC1(C)C ZINC000894891066 636000668 /nfs/dbraw/zinc/00/06/68/636000668.db2.gz XWBBJIXOWATRQS-WDEREUQCSA-N 1 3 228.336 0.822 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@@H]2COCO2)CC1(C)C ZINC000894891066 636000672 /nfs/dbraw/zinc/00/06/72/636000672.db2.gz XWBBJIXOWATRQS-WDEREUQCSA-N 1 3 228.336 0.822 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925511431 633851864 /nfs/dbraw/zinc/85/18/64/633851864.db2.gz MVBUKNHEQSQUCY-VWYCJHECSA-N 1 3 235.335 0.526 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925511431 633851867 /nfs/dbraw/zinc/85/18/67/633851867.db2.gz MVBUKNHEQSQUCY-VWYCJHECSA-N 1 3 235.335 0.526 20 0 BCADHO CCc1nncn1CCN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925513250 633856159 /nfs/dbraw/zinc/85/61/59/633856159.db2.gz GLEXMGZZEZVXMJ-GHMZBOCLSA-N 1 3 249.362 0.700 20 0 BCADHO CCc1nncn1CC[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925513250 633856162 /nfs/dbraw/zinc/85/61/62/633856162.db2.gz GLEXMGZZEZVXMJ-GHMZBOCLSA-N 1 3 249.362 0.700 20 0 BCADHO CC[C@H](N)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000309463186 633922088 /nfs/dbraw/zinc/92/20/88/633922088.db2.gz PHHJMJGPXMUQOJ-RTBKNWGFSA-N 1 3 213.325 0.452 20 0 BCADHO Cn1ncc(CCCN[C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925677403 634270621 /nfs/dbraw/zinc/27/06/21/634270621.db2.gz PHDDCZRPJJHCIX-RYUDHWBXSA-N 1 3 249.362 0.607 20 0 BCADHO CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406641 635218891 /nfs/dbraw/zinc/21/88/91/635218891.db2.gz QYVHQOXSXIGELU-LBPRGKRZSA-N 1 3 239.363 0.635 20 0 BCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406641 635218898 /nfs/dbraw/zinc/21/88/98/635218898.db2.gz QYVHQOXSXIGELU-LBPRGKRZSA-N 1 3 239.363 0.635 20 0 BCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406639 635221068 /nfs/dbraw/zinc/22/10/68/635221068.db2.gz QYVHQOXSXIGELU-GFCCVEGCSA-N 1 3 239.363 0.635 20 0 BCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406639 635221078 /nfs/dbraw/zinc/22/10/78/635221078.db2.gz QYVHQOXSXIGELU-GFCCVEGCSA-N 1 3 239.363 0.635 20 0 BCADHO C[C@@H]1CNC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000925787069 635306332 /nfs/dbraw/zinc/30/63/32/635306332.db2.gz WCZRJYDHGZHEOA-ZYHUDNBSSA-N 1 3 240.347 0.870 20 0 BCADHO CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989493156 636859222 /nfs/dbraw/zinc/85/92/22/636859222.db2.gz RNGWNUMKFPLDLH-KOLCDFICSA-N 1 3 236.319 0.551 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C)CCN1C ZINC000925324242 636869326 /nfs/dbraw/zinc/86/93/26/636869326.db2.gz BNZLDTPEBXFYCQ-MNOVXSKESA-N 1 3 242.367 0.282 20 0 BCADHO CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989796985 636880908 /nfs/dbraw/zinc/88/09/08/636880908.db2.gz UPXWBVNECDUPDL-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CCO[C@@H](CN[C@@H](CC)COC)C[NH+](C)C ZINC000926959321 636970647 /nfs/dbraw/zinc/97/06/47/636970647.db2.gz AVNCOILEHGZDHX-RYUDHWBXSA-N 1 3 232.368 0.968 20 0 BCADHO COC(=O)[C@@]1(F)CCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903463613 637365284 /nfs/dbraw/zinc/36/52/84/637365284.db2.gz GVJXJGMRDPEKEG-JFGNBEQYSA-N 1 3 244.310 0.701 20 0 BCADHO C[C@H](O)CN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903463859 637365648 /nfs/dbraw/zinc/36/56/48/637365648.db2.gz PTGVPHYNCMVDCW-VWYCJHECSA-N 1 3 212.337 0.687 20 0 BCADHO [NH3+][C@H]1C[C@@H](C[NH2+]Cc2cncc([O-])c2)C1 ZINC000904433358 637401192 /nfs/dbraw/zinc/40/11/92/637401192.db2.gz MEWJWNHPALKNLW-WAAGHKOSSA-N 1 3 207.277 0.614 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CCNCC1(C)C ZINC000904921329 637524117 /nfs/dbraw/zinc/52/41/17/637524117.db2.gz ZBRHKEXXOBRTKX-GFCCVEGCSA-N 1 3 227.352 0.714 20 0 BCADHO CCO[C@@H](CNC[C@H](O)CC)C[NH+](C)C ZINC000905581071 637853676 /nfs/dbraw/zinc/85/36/76/637853676.db2.gz SHUJHMZDLCOTQS-MNOVXSKESA-N 1 3 218.341 0.314 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000906092024 638048177 /nfs/dbraw/zinc/04/81/77/638048177.db2.gz SLAVQAYVLWAXJM-GARJFASQSA-N 1 3 227.352 0.556 20 0 BCADHO COC(=O)C1CCC([NH2+][C@H]2C[C@H](N)C2)CC1 ZINC000906518503 638188657 /nfs/dbraw/zinc/18/86/57/638188657.db2.gz QPNMHQDNWRROQJ-FVDFVZEOSA-N 1 3 226.320 0.798 20 0 BCADHO CN1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000908350597 638662877 /nfs/dbraw/zinc/66/28/77/638662877.db2.gz ZRBIDHMRCYRRSK-VXGBXAGGSA-N 1 3 249.358 0.245 20 0 BCADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000908364105 638670162 /nfs/dbraw/zinc/67/01/62/638670162.db2.gz WNWPTJGLINXSCR-CYBMUJFWSA-N 1 3 248.330 0.506 20 0 BCADHO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000908364105 638670163 /nfs/dbraw/zinc/67/01/63/638670163.db2.gz WNWPTJGLINXSCR-CYBMUJFWSA-N 1 3 248.330 0.506 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911628280 639687477 /nfs/dbraw/zinc/68/74/77/639687477.db2.gz LMFKJGDGJIIKPZ-ONGXEEELSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911628278 639688012 /nfs/dbraw/zinc/68/80/12/639688012.db2.gz LMFKJGDGJIIKPZ-KOLCDFICSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672397 639699423 /nfs/dbraw/zinc/69/94/23/639699423.db2.gz DNNVXMWGYUINPT-GARJFASQSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+]CCCNC(=O)c1cccc2c1OCCNC2 ZINC000911647483 639700973 /nfs/dbraw/zinc/70/09/73/639700973.db2.gz CYBOSLLKEOQTFL-UHFFFAOYSA-N 1 3 249.314 0.247 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708633 639759651 /nfs/dbraw/zinc/75/96/51/639759651.db2.gz XUIZCTWDTDSYOW-QJPTWQEYSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708635 639760697 /nfs/dbraw/zinc/76/06/97/639760697.db2.gz XUIZCTWDTDSYOW-SRVKXCTJSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911707606 639760726 /nfs/dbraw/zinc/76/07/26/639760726.db2.gz NYPLADNZZQPHLR-QJPTWQEYSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737865 639764359 /nfs/dbraw/zinc/76/43/59/639764359.db2.gz DAUCJXQPOGNTPN-HBNTYKKESA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751564 639779584 /nfs/dbraw/zinc/77/95/84/639779584.db2.gz MDZLPPVWHWGADO-HBNTYKKESA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NC(C)(C)C[NH3+] ZINC000911762479 639789385 /nfs/dbraw/zinc/78/93/85/639789385.db2.gz OYMFRIIPDNICEY-SNVBAGLBSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911813452 639802294 /nfs/dbraw/zinc/80/22/94/639802294.db2.gz MOWUYUNXEJCOKU-GUBZILKMSA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911813451 639802628 /nfs/dbraw/zinc/80/26/28/639802628.db2.gz MOWUYUNXEJCOKU-AEJSXWLSSA-N 1 3 215.341 0.556 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@H](C)N1 ZINC000911797013 639818394 /nfs/dbraw/zinc/81/83/94/639818394.db2.gz PVJJVLNFPIHOFJ-XZUYRWCXSA-N 1 3 237.347 0.337 20 0 BCADHO CC[C@H](C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000911799323 639820577 /nfs/dbraw/zinc/82/05/77/639820577.db2.gz XHMFPAAGKWVXKK-QCNOEVLYSA-N 1 3 241.379 0.959 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911837156 639846690 /nfs/dbraw/zinc/84/66/90/639846690.db2.gz SNCJNSSPBPYSCD-KOLCDFICSA-N 1 3 247.408 0.556 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911837157 639847032 /nfs/dbraw/zinc/84/70/32/639847032.db2.gz SNCJNSSPBPYSCD-MWLCHTKSSA-N 1 3 247.408 0.556 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845141 639854191 /nfs/dbraw/zinc/85/41/91/639854191.db2.gz HLPYJKGEYROCPU-JTQLQIEISA-N 1 3 227.352 0.713 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911844973 639854787 /nfs/dbraw/zinc/85/47/87/639854787.db2.gz ICSBPBBSRSLEEX-OUAUKWLOSA-N 1 3 237.347 0.052 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](C[C@](C)(O)C(F)F)C[C@H]21 ZINC000931275834 640125461 /nfs/dbraw/zinc/12/54/61/640125461.db2.gz ALNZMQLSGBQURB-SJQPAMGKSA-N 1 3 234.290 0.494 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@](C)(O)C(F)F)C[C@H]21 ZINC000931275834 640125465 /nfs/dbraw/zinc/12/54/65/640125465.db2.gz ALNZMQLSGBQURB-SJQPAMGKSA-N 1 3 234.290 0.494 20 0 BCADHO COCC(COC)[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000931548311 640265803 /nfs/dbraw/zinc/26/58/03/640265803.db2.gz IEESKNSQAJRMGQ-AAEUAGOBSA-N 1 3 242.363 0.674 20 0 BCADHO COCC(COC)[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000931548311 640265809 /nfs/dbraw/zinc/26/58/09/640265809.db2.gz IEESKNSQAJRMGQ-AAEUAGOBSA-N 1 3 242.363 0.674 20 0 BCADHO CC[C@H](CO)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931547284 640266024 /nfs/dbraw/zinc/26/60/24/640266024.db2.gz QDFPZAGINTZPPP-IJLUTSLNSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](CO)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000931547284 640266029 /nfs/dbraw/zinc/26/60/29/640266029.db2.gz QDFPZAGINTZPPP-IJLUTSLNSA-N 1 3 212.337 0.783 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000226328938 640748594 /nfs/dbraw/zinc/74/85/94/640748594.db2.gz XWESNKIIEFVGEG-DTWKUNHWSA-N 1 3 240.269 0.970 20 0 BCADHO CN(C)C(=O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733571 640753993 /nfs/dbraw/zinc/75/39/93/640753993.db2.gz MNGRDBQRLOTYMX-WCQYABFASA-N 1 3 239.363 0.348 20 0 BCADHO CN(C)C(=O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733571 640753998 /nfs/dbraw/zinc/75/39/98/640753998.db2.gz MNGRDBQRLOTYMX-WCQYABFASA-N 1 3 239.363 0.348 20 0 BCADHO COC[C@H](C)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733621 640755939 /nfs/dbraw/zinc/75/59/39/640755939.db2.gz GFUPGXHVCITXHF-SDDRHHMPSA-N 1 3 212.337 0.905 20 0 BCADHO COC[C@H](C)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733621 640755946 /nfs/dbraw/zinc/75/59/46/640755946.db2.gz GFUPGXHVCITXHF-SDDRHHMPSA-N 1 3 212.337 0.905 20 0 BCADHO CC(C)(C)[NH2+]CCC(=O)N1CCNC(C)(C)C1 ZINC000934056161 640808536 /nfs/dbraw/zinc/80/85/36/640808536.db2.gz OZMMPAHFBMYFSY-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO Cn1cc(CCN2CC[C@H](C[NH3+])C2)cn1 ZINC000087766635 641020909 /nfs/dbraw/zinc/02/09/09/641020909.db2.gz WWAFGNRJXFRSIE-SNVBAGLBSA-N 1 3 208.309 0.243 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)CCOC ZINC000230711657 641087066 /nfs/dbraw/zinc/08/70/66/641087066.db2.gz SMHHHCZMISJHNY-NSHDSACASA-N 1 3 245.367 0.150 20 0 BCADHO CN1CCCN(C(=S)NCC[NH+](C)C)CC1 ZINC000916112461 641909225 /nfs/dbraw/zinc/90/92/25/641909225.db2.gz URYMIGZSHQXJAI-UHFFFAOYSA-N 1 3 244.408 0.060 20 0 BCADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200246 642323181 /nfs/dbraw/zinc/32/31/81/642323181.db2.gz FWUGUXJYAGRZIO-NWDGAFQWSA-N 1 3 239.363 0.633 20 0 BCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200246 642323184 /nfs/dbraw/zinc/32/31/84/642323184.db2.gz FWUGUXJYAGRZIO-NWDGAFQWSA-N 1 3 239.363 0.633 20 0 BCADHO CN1CCC[C@@H](NC(=O)NCCC(C)(C)[NH3+])C1 ZINC000891403430 642484952 /nfs/dbraw/zinc/48/49/52/642484952.db2.gz PVHWVUPVUWNLOF-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](N)CC1CC1 ZINC000306102912 642721424 /nfs/dbraw/zinc/72/14/24/642721424.db2.gz QJWATIJQOACDME-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967708534 642802580 /nfs/dbraw/zinc/80/25/80/642802580.db2.gz LQHCUTXHFITOPB-VXGBXAGGSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001019033231 643017964 /nfs/dbraw/zinc/01/79/64/643017964.db2.gz FPZMPFCDPGANAM-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001019381221 643030989 /nfs/dbraw/zinc/03/09/89/643030989.db2.gz BEOWUEORTDUQNI-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047915 643339332 /nfs/dbraw/zinc/33/93/32/643339332.db2.gz VBPBPVGRASWCHZ-RYUDHWBXSA-N 1 3 240.347 0.823 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047915 643339336 /nfs/dbraw/zinc/33/93/36/643339336.db2.gz VBPBPVGRASWCHZ-RYUDHWBXSA-N 1 3 240.347 0.823 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCO[C@H](C)C1 ZINC000082560878 643342907 /nfs/dbraw/zinc/34/29/07/643342907.db2.gz DCQUTVHYGUQKBS-UTUOFQBUSA-N 1 3 212.337 0.953 20 0 BCADHO Cn1ccc(CN2CCC[C@H](C[NH3+])C2)cc1=O ZINC000843346347 643347053 /nfs/dbraw/zinc/34/70/53/643347053.db2.gz FJNACVPZKYSHFZ-GFCCVEGCSA-N 1 3 235.331 0.556 20 0 BCADHO CC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000996710794 643494784 /nfs/dbraw/zinc/49/47/84/643494784.db2.gz FPVBZSXYRVSHJX-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCF)C2)C1 ZINC000970712035 643510584 /nfs/dbraw/zinc/51/05/84/643510584.db2.gz KGBXZQXTUFDMOM-WDEREUQCSA-N 1 3 243.326 0.098 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCF)C2)C1 ZINC000970712035 643510589 /nfs/dbraw/zinc/51/05/89/643510589.db2.gz KGBXZQXTUFDMOM-WDEREUQCSA-N 1 3 243.326 0.098 20 0 BCADHO CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970720446 643514740 /nfs/dbraw/zinc/51/47/40/643514740.db2.gz TXJRJOSTCVRSGU-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000313728 643773891 /nfs/dbraw/zinc/77/38/91/643773891.db2.gz TVHXNDNBFWLIPV-JTQLQIEISA-N 1 3 236.319 0.553 20 0 BCADHO CCOC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000086638475 644158715 /nfs/dbraw/zinc/15/87/15/644158715.db2.gz WAHPEFICSZQMIK-JTQLQIEISA-N 1 3 218.341 0.301 20 0 BCADHO CSC[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000923287807 644319577 /nfs/dbraw/zinc/31/95/77/644319577.db2.gz GOSPJJPKHKBUIV-HBNTYKKESA-N 1 3 232.393 0.770 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCO[C@@H]1CCOC1 ZINC000923295992 644331390 /nfs/dbraw/zinc/33/13/90/644331390.db2.gz MJYSKZHKFJLRON-VXGBXAGGSA-N 1 3 230.352 0.755 20 0 BCADHO NC(=O)C[C@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923309176 644345803 /nfs/dbraw/zinc/34/58/03/644345803.db2.gz LWMPFMRHGYGPFR-GFCCVEGCSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1CN(C[C@@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311043 644347161 /nfs/dbraw/zinc/34/71/61/644347161.db2.gz FRQSALPOVZNAKL-QWRGUYRKSA-N 1 3 242.388 0.802 20 0 BCADHO CCOCCN(CC)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923309831 644347323 /nfs/dbraw/zinc/34/73/23/644347323.db2.gz VKUDBZOTXSOFHI-DCAQKATOSA-N 1 3 216.325 0.195 20 0 BCADHO Cc1ccc(C)c(OCCNC(CN)C[NH3+])c1 ZINC000923351567 644366722 /nfs/dbraw/zinc/36/67/22/644366722.db2.gz KAYHFZSXUNDWMO-UHFFFAOYSA-N 1 3 237.347 0.558 20 0 BCADHO NCC(C[NH3+])NCc1cccc2c1CCOC2 ZINC000923358992 644367821 /nfs/dbraw/zinc/36/78/21/644367821.db2.gz IUOHLGYAWFKJGH-UHFFFAOYSA-N 1 3 235.331 0.135 20 0 BCADHO CO[C@@H](CNC(CN)C[NH3+])c1ccc(F)cc1 ZINC000923358432 644367975 /nfs/dbraw/zinc/36/79/75/644367975.db2.gz BSGAEHILUWDPPX-LBPRGKRZSA-N 1 3 241.310 0.389 20 0 BCADHO CO[C@H](C[NH2+]C(CN)CN)C1CCCC1 ZINC000923358398 644368025 /nfs/dbraw/zinc/36/80/25/644368025.db2.gz AFUNFOPGENNCPX-LLVKDONJSA-N 1 3 215.341 0.067 20 0 BCADHO Cc1cc(C)cc(OCCNC(CN)C[NH3+])c1 ZINC000923353377 644369872 /nfs/dbraw/zinc/36/98/72/644369872.db2.gz VKKSAGSENHPUHP-UHFFFAOYSA-N 1 3 237.347 0.558 20 0 BCADHO NCC(CN)[NH2+]CCCOc1ccc(F)cc1 ZINC000923352654 644369988 /nfs/dbraw/zinc/36/99/88/644369988.db2.gz PXEZYIDXCYOXFO-UHFFFAOYSA-N 1 3 241.310 0.470 20 0 BCADHO NCC(C[NH3+])NCc1cc(-c2ccccc2)no1 ZINC000923352668 644370509 /nfs/dbraw/zinc/37/05/09/644370509.db2.gz PXSONINBGRLGKO-UHFFFAOYSA-N 1 3 246.314 0.717 20 0 BCADHO CSC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923355104 644372993 /nfs/dbraw/zinc/37/29/93/644372993.db2.gz GSSSWCWRQOEIQZ-ZJUUUORDSA-N 1 3 218.366 0.381 20 0 BCADHO CSC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923368981 644380405 /nfs/dbraw/zinc/38/04/05/644380405.db2.gz IHCMBTPMADSJIH-UWVGGRQHSA-N 1 3 232.393 0.688 20 0 BCADHO CSC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923368981 644380406 /nfs/dbraw/zinc/38/04/06/644380406.db2.gz IHCMBTPMADSJIH-UWVGGRQHSA-N 1 3 232.393 0.688 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368759 644381744 /nfs/dbraw/zinc/38/17/44/644381744.db2.gz SLZCTBIPPNPPSF-VXGBXAGGSA-N 1 3 246.395 0.983 20 0 BCADHO CSC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923371073 644385028 /nfs/dbraw/zinc/38/50/28/644385028.db2.gz VBKXREFGVYJJIT-DTWKUNHWSA-N 1 3 220.382 0.673 20 0 BCADHO CO[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C ZINC000923374587 644388680 /nfs/dbraw/zinc/38/86/80/644388680.db2.gz ZWZQDIOMJFGLJC-HTFCKZLJSA-N 1 3 228.336 0.194 20 0 BCADHO CCOCC[C@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923381603 644393390 /nfs/dbraw/zinc/39/33/90/644393390.db2.gz JTQBHKYAIUJVEA-QJPTWQEYSA-N 1 3 230.352 0.633 20 0 BCADHO C[C@@H](CO)C1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923387421 644398631 /nfs/dbraw/zinc/39/86/31/644398631.db2.gz NNDIBKFTOGBKOL-BQUFFADESA-N 1 3 242.363 0.177 20 0 BCADHO CC(C)O[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923385931 644399425 /nfs/dbraw/zinc/39/94/25/644399425.db2.gz GAOFLOIIDAVOPD-CYDGBPFRSA-N 1 3 242.363 0.726 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000923393523 644401114 /nfs/dbraw/zinc/40/11/14/644401114.db2.gz SAKLEDXKJZRVIT-XQQFMLRXSA-N 1 3 244.379 0.974 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC3(CC3(F)F)CC2)C1 ZINC000923388699 644401358 /nfs/dbraw/zinc/40/13/58/644401358.db2.gz TYAQJCCUIGDEMX-GUBZILKMSA-N 1 3 246.301 0.958 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000923393522 644402454 /nfs/dbraw/zinc/40/24/54/644402454.db2.gz SAKLEDXKJZRVIT-UPJWGTAASA-N 1 3 244.379 0.974 20 0 BCADHO CC[N@H+](CCN)C[C@@H](O)Cc1ccccc1 ZINC000923402557 644406923 /nfs/dbraw/zinc/40/69/23/644406923.db2.gz YCTNPEUWSXJLLX-ZDUSSCGKSA-N 1 3 222.332 0.871 20 0 BCADHO CC[N@@H+](CCN)C[C@@H](O)Cc1ccccc1 ZINC000923402557 644406927 /nfs/dbraw/zinc/40/69/27/644406927.db2.gz YCTNPEUWSXJLLX-ZDUSSCGKSA-N 1 3 222.332 0.871 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000923415953 644408975 /nfs/dbraw/zinc/40/89/75/644408975.db2.gz SORTWHPAZWMBCE-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCNCCC1(C)C ZINC000923415953 644408979 /nfs/dbraw/zinc/40/89/79/644408979.db2.gz SORTWHPAZWMBCE-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCO)C1 ZINC000923412753 644413221 /nfs/dbraw/zinc/41/32/21/644413221.db2.gz AQIFUWSDDNQICA-NSHDSACASA-N 1 3 200.326 0.676 20 0 BCADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCO)C1 ZINC000923412753 644413227 /nfs/dbraw/zinc/41/32/27/644413227.db2.gz AQIFUWSDDNQICA-NSHDSACASA-N 1 3 200.326 0.676 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(CCF)CC2)C1 ZINC000923412231 644413886 /nfs/dbraw/zinc/41/38/86/644413886.db2.gz QEBYKQVQUBRQQN-SRVKXCTJSA-N 1 3 230.327 0.909 20 0 BCADHO CSC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923421910 644417745 /nfs/dbraw/zinc/41/77/45/644417745.db2.gz PEFIGNNRHFUZTA-VGMNWLOBSA-N 1 3 218.366 0.426 20 0 BCADHO CSC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923421910 644417749 /nfs/dbraw/zinc/41/77/49/644417749.db2.gz PEFIGNNRHFUZTA-VGMNWLOBSA-N 1 3 218.366 0.426 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423670 644419970 /nfs/dbraw/zinc/41/99/70/644419970.db2.gz YGNYLFOCMHWIKS-UTUOFQBUSA-N 1 3 244.379 0.735 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923423670 644419975 /nfs/dbraw/zinc/41/99/75/644419975.db2.gz YGNYLFOCMHWIKS-UTUOFQBUSA-N 1 3 244.379 0.735 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423603 644420130 /nfs/dbraw/zinc/42/01/30/644420130.db2.gz XWXDQUZLHZUWFC-MXWKQRLJSA-N 1 3 230.352 0.488 20 0 BCADHO CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923423603 644420135 /nfs/dbraw/zinc/42/01/35/644420135.db2.gz XWXDQUZLHZUWFC-MXWKQRLJSA-N 1 3 230.352 0.488 20 0 BCADHO CC(C)OCC[C@@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430551 644425115 /nfs/dbraw/zinc/42/51/15/644425115.db2.gz NBRRFGWKNPPOOX-NEPJUHHUSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OCC[C@@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430551 644425120 /nfs/dbraw/zinc/42/51/20/644425120.db2.gz NBRRFGWKNPPOOX-NEPJUHHUSA-N 1 3 244.379 0.832 20 0 BCADHO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C[C@@H]1CNCCO1 ZINC000923436866 644428942 /nfs/dbraw/zinc/42/89/42/644428942.db2.gz SVTPRHPIFIVMRK-BJDJZHNGSA-N 1 3 227.352 0.046 20 0 BCADHO C(C[NH+]1CCNCCNCC1)[C@@H]1CCCCO1 ZINC000923460760 644445496 /nfs/dbraw/zinc/44/54/96/644445496.db2.gz QQOAWQDBLWXFIT-ZDUSSCGKSA-N 1 3 241.379 0.440 20 0 BCADHO C(CN1CCNCC[NH2+]CC1)[C@@H]1CCCCO1 ZINC000923460760 644445501 /nfs/dbraw/zinc/44/55/01/644445501.db2.gz QQOAWQDBLWXFIT-ZDUSSCGKSA-N 1 3 241.379 0.440 20 0 BCADHO CCSCCN1CCNCC[NH2+]CC1 ZINC000923461910 644447562 /nfs/dbraw/zinc/44/75/62/644447562.db2.gz YOIPNAPJMJKDMZ-UHFFFAOYSA-N 1 3 217.382 0.234 20 0 BCADHO CON1CC[C@H](N2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923492246 644467713 /nfs/dbraw/zinc/46/77/13/644467713.db2.gz MLLGRVKQUJLQNW-AXFHLTTASA-N 1 3 241.335 0.065 20 0 BCADHO COC[C@@H](CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC ZINC000923515072 644480069 /nfs/dbraw/zinc/48/00/69/644480069.db2.gz CEJTTWIHUANLQS-QJPTWQEYSA-N 1 3 228.336 0.189 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534815 644486289 /nfs/dbraw/zinc/48/62/89/644486289.db2.gz XWVQLDBLSYOYBE-QWHCGFSZSA-N 1 3 239.363 0.193 20 0 BCADHO Cc1cc(NC[C@@H](C)[NH+](C)C)nc(N)n1 ZINC000087031383 644493953 /nfs/dbraw/zinc/49/39/53/644493953.db2.gz YXDYJVXDKLQGQP-MRVPVSSYSA-N 1 3 209.297 0.729 20 0 BCADHO COC[C@@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516582 644692664 /nfs/dbraw/zinc/69/26/64/644692664.db2.gz NXMAWUIMMWOHSA-AVGNSLFASA-N 1 3 244.379 0.894 20 0 BCADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCOCCO ZINC000093514071 644693495 /nfs/dbraw/zinc/69/34/95/644693495.db2.gz VLRKYZKPGBKTLP-STQMWFEESA-N 1 3 244.379 0.896 20 0 BCADHO CN1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250560247 644764785 /nfs/dbraw/zinc/76/47/85/644764785.db2.gz CIHCTWFUYOYBGE-RWMBFGLXSA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000250560247 644764789 /nfs/dbraw/zinc/76/47/89/644764789.db2.gz CIHCTWFUYOYBGE-RWMBFGLXSA-N 1 3 223.364 0.907 20 0 BCADHO C[C@H](O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415950 644848833 /nfs/dbraw/zinc/84/88/33/644848833.db2.gz MRFTYXKMWQVWNS-SDDRHHMPSA-N 1 3 212.337 0.831 20 0 BCADHO CC(C)NC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252668105 644875644 /nfs/dbraw/zinc/87/56/44/644875644.db2.gz RSNXHFVXUAIZOL-QWRGUYRKSA-N 1 3 240.351 0.372 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@H](N)CC1CC1 ZINC000304305649 644889076 /nfs/dbraw/zinc/88/90/76/644889076.db2.gz BXIVRLMLGRBAIS-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000304334586 644893902 /nfs/dbraw/zinc/89/39/02/644893902.db2.gz ICSFPLKSXOYREI-WDEREUQCSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000304334586 644893906 /nfs/dbraw/zinc/89/39/06/644893906.db2.gz ICSFPLKSXOYREI-WDEREUQCSA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@](C)(CC(=O)OC)NC[C@H]1CC[NH2+]C1 ZINC000843390100 645289218 /nfs/dbraw/zinc/28/92/18/645289218.db2.gz KOGBPFMDMVJTDC-CMPLNLGQSA-N 1 3 228.336 0.917 20 0 BCADHO CN1CC[C@H]1C[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2 ZINC000926894237 645480345 /nfs/dbraw/zinc/48/03/45/645480345.db2.gz LXHANOZKFNIFFA-FXJUQPSGSA-N 1 3 223.364 0.620 20 0 BCADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758012 646102673 /nfs/dbraw/zinc/10/26/73/646102673.db2.gz RZAPAHMYHQWARJ-RYUDHWBXSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758009 646102860 /nfs/dbraw/zinc/10/28/60/646102860.db2.gz RZAPAHMYHQWARJ-NEPJUHHUSA-N 1 3 244.379 0.440 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C)COC1 ZINC000925049696 646169563 /nfs/dbraw/zinc/16/95/63/646169563.db2.gz UGSVWDXMCMQNJB-FOSCPWQOSA-N 1 3 224.348 0.953 20 0 BCADHO CCCN1CCC([N@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929779284 646309687 /nfs/dbraw/zinc/30/96/87/646309687.db2.gz YNMQEMHKNMIKLM-YPMHNXCESA-N 1 3 244.379 0.534 20 0 BCADHO CCCN1CCC([N@@H+](C)C[C@H](O)[C@@H](C)O)CC1 ZINC000929779284 646309688 /nfs/dbraw/zinc/30/96/88/646309688.db2.gz YNMQEMHKNMIKLM-YPMHNXCESA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H]1CCCN(CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000925550390 646327028 /nfs/dbraw/zinc/32/70/28/646327028.db2.gz LUDUNSGZYZGCBZ-QWHCGFSZSA-N 1 3 241.379 0.296 20 0 BCADHO CN1CCC[C@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925565737 646331286 /nfs/dbraw/zinc/33/12/86/646331286.db2.gz XKHSXDNVUZCYFI-QWRGUYRKSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925570399 646339184 /nfs/dbraw/zinc/33/91/84/646339184.db2.gz ADEVGDZCNVYIPO-BBBLOLIVSA-N 1 3 227.352 0.746 20 0 BCADHO C[C@H](CN[C@@H]1C[NH2+]CCOC1)N1CCCCC1 ZINC000925613868 646361804 /nfs/dbraw/zinc/36/18/04/646361804.db2.gz UFXXNAYYLHYWOQ-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000925642387 646384463 /nfs/dbraw/zinc/38/44/63/646384463.db2.gz GQXSNLPLYUZWMJ-QJPTWQEYSA-N 1 3 234.347 0.928 20 0 BCADHO C[C@@H](CN(C)C)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925674627 646402441 /nfs/dbraw/zinc/40/24/41/646402441.db2.gz STVWZKLQAVSXGE-MCDVFOBDSA-N 1 3 223.364 0.523 20 0 BCADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2COC[C@H]2O)C1 ZINC000925691355 646416889 /nfs/dbraw/zinc/41/68/89/646416889.db2.gz MWZPLYNBIKNUKC-GWOFURMSSA-N 1 3 228.336 0.242 20 0 BCADHO [NH3+][C@@H]1C[C@H](N[C@H]2CNCCC2(F)F)C12CCC2 ZINC000925703092 646427878 /nfs/dbraw/zinc/42/78/78/646427878.db2.gz BYNMVWDQHQXHNR-UTLUCORTSA-N 1 3 245.317 0.843 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930094510 646431752 /nfs/dbraw/zinc/43/17/52/646431752.db2.gz KIZGVWCBLMOUFH-NEPJUHHUSA-N 1 3 241.379 0.926 20 0 BCADHO OC[C@H](C[C@@H]1CCCO1)N[C@@H]1CCC[NH2+]CC1 ZINC000925767160 646468386 /nfs/dbraw/zinc/46/83/86/646468386.db2.gz NOTRDDVPMRGIAF-AGIUHOORSA-N 1 3 242.363 0.648 20 0 BCADHO Nc1ccnc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000925766772 646468549 /nfs/dbraw/zinc/46/85/49/646468549.db2.gz LVWKIQZSUAMQOT-JOYOIKCWSA-N 1 3 220.320 0.881 20 0 BCADHO Nc1ccnc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925766773 646469380 /nfs/dbraw/zinc/46/93/80/646469380.db2.gz LVWKIQZSUAMQOT-SKDRFNHKSA-N 1 3 220.320 0.881 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000925781369 646478001 /nfs/dbraw/zinc/47/80/01/646478001.db2.gz DMCGMCUZPLVCGB-HNCHTBHHSA-N 1 3 223.364 0.809 20 0 BCADHO CC[C@H](CN1CCOCC1)N[C@H](C)C1C[NH2+]C1 ZINC000925825818 646497995 /nfs/dbraw/zinc/49/79/95/646497995.db2.gz IGANQHLAUGQATE-DGCLKSJQSA-N 1 3 241.379 0.295 20 0 BCADHO C[C@H](NCCOC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000925878275 646528058 /nfs/dbraw/zinc/52/80/58/646528058.db2.gz UCAARNOBZPWHMD-NWDGAFQWSA-N 1 3 242.363 0.770 20 0 BCADHO Cc1c[nH]nc1CN1CC[C@H](CC[NH3+])C1 ZINC000723703739 711535763 /nfs/dbraw/zinc/53/57/63/711535763.db2.gz VRWKEXMHERRQIP-JTQLQIEISA-N 1 3 208.309 0.889 20 0 BCADHO Cc1cc(NCC2([NH+](C)C)CC2)nc(N)n1 ZINC000397843186 711707409 /nfs/dbraw/zinc/70/74/09/711707409.db2.gz HHSOKUCOBWHCPR-UHFFFAOYSA-N 1 3 221.308 0.126 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721835317 711779431 /nfs/dbraw/zinc/77/94/31/711779431.db2.gz FTRRWRJBYMXDRQ-NWDGAFQWSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](C(C)(C)O)C1 ZINC000721835317 711779432 /nfs/dbraw/zinc/77/94/32/711779432.db2.gz FTRRWRJBYMXDRQ-NWDGAFQWSA-N 1 3 244.379 0.392 20 0 BCADHO CN(CCCCCC[NH3+])[C@@H]1CCN(C)C1=O ZINC000708522866 712211597 /nfs/dbraw/zinc/21/15/97/712211597.db2.gz KILJVTNEZVOCFH-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO C(CN1C[C@@H]2CC[NH2+]C[C@@H]2C1)OC1CC1 ZINC000711705052 712318677 /nfs/dbraw/zinc/31/86/77/712318677.db2.gz SKJHIPRFHBRWIC-WDEREUQCSA-N 1 3 210.321 0.707 20 0 BCADHO COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381548179 712396207 /nfs/dbraw/zinc/39/62/07/712396207.db2.gz LMWJKCZKRYDFRQ-TUAOUCFPSA-N 1 3 228.336 0.055 20 0 BCADHO COC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000381548179 712396208 /nfs/dbraw/zinc/39/62/08/712396208.db2.gz LMWJKCZKRYDFRQ-TUAOUCFPSA-N 1 3 228.336 0.055 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000714244296 712480121 /nfs/dbraw/zinc/48/01/21/712480121.db2.gz FVVOJEUTEDBZFF-GWOFURMSSA-N 1 3 246.376 0.279 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000714244298 712480283 /nfs/dbraw/zinc/48/02/83/712480283.db2.gz FVVOJEUTEDBZFF-XWLWVQCSSA-N 1 3 246.376 0.279 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000876795670 712629770 /nfs/dbraw/zinc/62/97/70/712629770.db2.gz HLVUTAJJSNMPHM-CHWFTXMASA-N 1 3 243.326 0.143 20 0 BCADHO O=C(C[NH2+]CC1CC1)NCCN1CCCC1 ZINC000037478310 712648293 /nfs/dbraw/zinc/64/82/93/712648293.db2.gz ARAPAPBQDBTQPH-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO C[C@H](C[NH2+][C@H](C)C[C@H]1CCC(=O)N1)CN(C)C ZINC000380093652 712685602 /nfs/dbraw/zinc/68/56/02/712685602.db2.gz VMXMZWFUUZZCKZ-IJLUTSLNSA-N 1 3 241.379 0.831 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718408029 712759613 /nfs/dbraw/zinc/75/96/13/712759613.db2.gz WRWFBIZWNVIONX-QONHTCSSSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@@H]1[C@@H]([NH2+]C[C@H](O)CN(C)C2CC2)CCN1C ZINC000719634352 712814953 /nfs/dbraw/zinc/81/49/53/712814953.db2.gz BLGYUSGOPPUTFS-WXHSDQCUSA-N 1 3 241.379 0.124 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@H](C)CC1 ZINC000719783306 712824516 /nfs/dbraw/zinc/82/45/16/712824516.db2.gz SFYHMQSXVGZNRL-UTUOFQBUSA-N 1 3 212.337 0.953 20 0 BCADHO C[N@H+](C[C@H](O)CNC[C@@H]1CCC=CO1)C1CC1 ZINC000380232963 712835315 /nfs/dbraw/zinc/83/53/15/712835315.db2.gz RUTTXZVAYXWDTJ-OLZOCXBDSA-N 1 3 240.347 0.724 20 0 BCADHO C[N@@H+](C[C@H](O)CNC[C@@H]1CCC=CO1)C1CC1 ZINC000380232963 712835316 /nfs/dbraw/zinc/83/53/16/712835316.db2.gz RUTTXZVAYXWDTJ-OLZOCXBDSA-N 1 3 240.347 0.724 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720894652 712875696 /nfs/dbraw/zinc/87/56/96/712875696.db2.gz WGWKBLQNRYCSSF-GARJFASQSA-N 1 3 225.336 0.419 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720897518 712876687 /nfs/dbraw/zinc/87/66/87/712876687.db2.gz HTKCPCDZEOIPMH-GARJFASQSA-N 1 3 225.336 0.289 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720896729 712876728 /nfs/dbraw/zinc/87/67/28/712876728.db2.gz DHSIGCVARHPOKH-WOPDTQHZSA-N 1 3 239.363 0.665 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721040320 712887755 /nfs/dbraw/zinc/88/77/55/712887755.db2.gz QPKXUGUJSUGLLP-MXWKQRLJSA-N 1 3 227.352 0.156 20 0 BCADHO CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028041 710716935 /nfs/dbraw/zinc/71/69/35/710716935.db2.gz LZKYIVLIBMDYPU-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028041 710716941 /nfs/dbraw/zinc/71/69/41/710716941.db2.gz LZKYIVLIBMDYPU-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CO[C@H]1COCC[C@H]1N(C)CCC[NH3+] ZINC000381839922 710733100 /nfs/dbraw/zinc/73/31/00/710733100.db2.gz STZOPVOZNICFCO-ZJUUUORDSA-N 1 3 202.298 0.071 20 0 BCADHO CO[C@@H]1COCC[C@H]1N(C)CCC[NH3+] ZINC000381839912 710733147 /nfs/dbraw/zinc/73/31/47/710733147.db2.gz STZOPVOZNICFCO-NXEZZACHSA-N 1 3 202.298 0.071 20 0 BCADHO C[C@]1(C(N)=O)CCN(CCC[NH2+]C2CC2)C1 ZINC000382502891 710971391 /nfs/dbraw/zinc/97/13/91/710971391.db2.gz RXWAIBXQFDPTFH-LBPRGKRZSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](CCCNC2CC2)C1 ZINC000382502891 710971394 /nfs/dbraw/zinc/97/13/94/710971394.db2.gz RXWAIBXQFDPTFH-LBPRGKRZSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](CCCNC2CC2)C1 ZINC000382502891 710971398 /nfs/dbraw/zinc/97/13/98/710971398.db2.gz RXWAIBXQFDPTFH-LBPRGKRZSA-N 1 3 225.336 0.326 20 0 BCADHO CNC(=O)[C@H](C)CN(C)CCC[NH2+]C1CC1 ZINC000382528966 710972514 /nfs/dbraw/zinc/97/25/14/710972514.db2.gz IYSPRZUGSNFZTD-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CCN(CCCCCC[NH3+])CC(=O)N(C)C ZINC000390582470 711127163 /nfs/dbraw/zinc/12/71/63/711127163.db2.gz PWAYCPCLZUFDJL-UHFFFAOYSA-N 1 3 229.368 0.916 20 0 BCADHO CCN(CC)C(=O)CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000393882301 711177940 /nfs/dbraw/zinc/17/79/40/711177940.db2.gz NKTXKVNOXWZSAB-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H](CCCO)CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000394984678 711200309 /nfs/dbraw/zinc/20/03/09/711200309.db2.gz HRPJKDZABVABLX-QQOHENMQSA-N 1 3 238.375 0.981 20 0 BCADHO COCC(COC)N1CC[C@](C)(C[NH3+])C1 ZINC000395384835 711210591 /nfs/dbraw/zinc/21/05/91/711210591.db2.gz MQSDBWXYQXMQPS-LLVKDONJSA-N 1 3 216.325 0.319 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NCCCN1CCOCC1 ZINC000396615090 711361874 /nfs/dbraw/zinc/36/18/74/711361874.db2.gz SCBMUDAEABAILO-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1NCCC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000396732480 711367974 /nfs/dbraw/zinc/36/79/74/711367974.db2.gz YAUQJBQYSOKDPV-RYUDHWBXSA-N 1 3 243.420 0.765 20 0 BCADHO C[C@H]1NCCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000396732481 711368107 /nfs/dbraw/zinc/36/81/07/711368107.db2.gz YAUQJBQYSOKDPV-VXGBXAGGSA-N 1 3 243.420 0.765 20 0 BCADHO C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H](O)CN ZINC000399257270 711424849 /nfs/dbraw/zinc/42/48/49/711424849.db2.gz MRRDVTOCEAARAK-SFYZADRCSA-N 1 3 241.162 0.822 20 0 BCADHO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H](O)CN ZINC000399257270 711424851 /nfs/dbraw/zinc/42/48/51/711424851.db2.gz MRRDVTOCEAARAK-SFYZADRCSA-N 1 3 241.162 0.822 20 0 BCADHO CN(CC[C@@H]1CC1(Cl)Cl)C[C@@H](O)C[NH3+] ZINC000399257270 711424852 /nfs/dbraw/zinc/42/48/52/711424852.db2.gz MRRDVTOCEAARAK-SFYZADRCSA-N 1 3 241.162 0.822 20 0 BCADHO CN(CCCCCC[NH3+])CC(=O)NC1CC1 ZINC000381091762 710601994 /nfs/dbraw/zinc/60/19/94/710601994.db2.gz VIVMISZVYNQNNT-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)NC(=O)CN(C)CCCCCC[NH3+] ZINC000381093236 710602188 /nfs/dbraw/zinc/60/21/88/710602188.db2.gz VVCJUCWQLYYRHD-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO COC[C@H](CN1CC[C@@H]([NH3+])C1)C(C)C ZINC000721963826 710696356 /nfs/dbraw/zinc/69/63/56/710696356.db2.gz LVZUVYDBLURWEX-WDEREUQCSA-N 1 3 200.326 0.938 20 0 BCADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724564295 710742301 /nfs/dbraw/zinc/74/23/01/710742301.db2.gz VJNFHTDFTRRXRT-FIQHERPVSA-N 1 3 226.320 0.071 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000389985828 711101908 /nfs/dbraw/zinc/10/19/08/711101908.db2.gz LZVHFUCVNDBHJO-NEPJUHHUSA-N 1 3 212.337 0.831 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000389985831 711101698 /nfs/dbraw/zinc/10/16/98/711101698.db2.gz LZVHFUCVNDBHJO-VXGBXAGGSA-N 1 3 212.337 0.831 20 0 BCADHO CCN(C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000382658246 711546630 /nfs/dbraw/zinc/54/66/30/711546630.db2.gz MMJDMOKBDSMKDI-GFCCVEGCSA-N 1 3 244.379 0.536 20 0 BCADHO CN(Cc1cnnn1C)C1CCC([NH3+])CC1 ZINC000394947924 711691417 /nfs/dbraw/zinc/69/14/17/711691417.db2.gz ISUDZVYJRUFRLV-UHFFFAOYSA-N 1 3 223.324 0.517 20 0 BCADHO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)[C@H]1CCCCN1 ZINC000925875597 711761595 /nfs/dbraw/zinc/76/15/95/711761595.db2.gz VDAWFQCAPFRWDJ-JHJVBQTASA-N 1 3 242.363 0.912 20 0 BCADHO CC(C)NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000251690821 711764208 /nfs/dbraw/zinc/76/42/08/711764208.db2.gz IHVIVCITQCQPPB-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000130139921 711845531 /nfs/dbraw/zinc/84/55/31/711845531.db2.gz MNCNNPRXMOZKPN-SDDRHHMPSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000130139921 711845538 /nfs/dbraw/zinc/84/55/38/711845538.db2.gz MNCNNPRXMOZKPN-SDDRHHMPSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)CC[N@@H+]1C ZINC000382509504 711919682 /nfs/dbraw/zinc/91/96/82/711919682.db2.gz XNUOOYHIHAKRRA-YUSALJHKSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)CC2CC2)CC[N@H+]1C ZINC000382509504 711919683 /nfs/dbraw/zinc/91/96/83/711919683.db2.gz XNUOOYHIHAKRRA-YUSALJHKSA-N 1 3 239.363 0.713 20 0 BCADHO OCC[C@@H]1COCCN1CC1CC[NH2+]CC1 ZINC000702243860 712041814 /nfs/dbraw/zinc/04/18/14/712041814.db2.gz XVUVTZMTFHSSPM-GFCCVEGCSA-N 1 3 228.336 0.069 20 0 BCADHO CN(C[C@H]1CCCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000703489754 712077224 /nfs/dbraw/zinc/07/72/24/712077224.db2.gz LTWCWDYPRRSRGM-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000709039209 712206178 /nfs/dbraw/zinc/20/61/78/712206178.db2.gz ZQHDGWCUTPNDES-VXGBXAGGSA-N 1 3 230.352 0.587 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000709039209 712206179 /nfs/dbraw/zinc/20/61/79/712206179.db2.gz ZQHDGWCUTPNDES-VXGBXAGGSA-N 1 3 230.352 0.587 20 0 BCADHO C[N@H+](C[C@H](O)CN)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695620 712216152 /nfs/dbraw/zinc/21/61/52/712216152.db2.gz GNRCNHFSSXZJLZ-WDEREUQCSA-N 1 3 244.379 0.832 20 0 BCADHO C[N@@H+](C[C@H](O)CN)C[C@@H]1CC(C)(C)OC1(C)C ZINC000709695620 712216154 /nfs/dbraw/zinc/21/61/54/712216154.db2.gz GNRCNHFSSXZJLZ-WDEREUQCSA-N 1 3 244.379 0.832 20 0 BCADHO NCC(C[NH3+])NCc1cccc(Cl)c1 ZINC000710088037 712244879 /nfs/dbraw/zinc/24/48/79/712244879.db2.gz VYMCSPNABLYPHH-UHFFFAOYSA-N 1 3 213.712 0.716 20 0 BCADHO CN(CCCCCC[NH3+])[C@@H]1CCNC1=O ZINC000710805089 712257346 /nfs/dbraw/zinc/25/73/46/712257346.db2.gz QBSDYTIEOUUGPK-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1COC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000710845033 712258949 /nfs/dbraw/zinc/25/89/49/712258949.db2.gz MFVASIATTOFYQP-WDEREUQCSA-N 1 3 228.336 0.068 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2CCN2C)CC1 ZINC000712613934 712437904 /nfs/dbraw/zinc/43/79/04/712437904.db2.gz PSWKKSBGEGMUPF-GFCCVEGCSA-N 1 3 211.353 0.764 20 0 BCADHO CCN1CC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712576968 712448081 /nfs/dbraw/zinc/44/80/81/712448081.db2.gz COHMWTPILNNNBQ-QWHCGFSZSA-N 1 3 241.379 0.127 20 0 BCADHO Cc1cn[nH]c1CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000716454118 712561916 /nfs/dbraw/zinc/56/19/16/712561916.db2.gz VAYXMWBKZBVKIU-NXEZZACHSA-N 1 3 208.309 0.934 20 0 BCADHO CC1(CN[C@H]2CCCC[C@H]2C[NH3+])OCCO1 ZINC000716792783 712573939 /nfs/dbraw/zinc/57/39/39/712573939.db2.gz JDUUUIUCQIFQCX-QWRGUYRKSA-N 1 3 228.336 0.857 20 0 BCADHO CC1(CN[C@@H]2CCC[C@H]([NH3+])C2)OCCO1 ZINC000716819652 712577013 /nfs/dbraw/zinc/57/70/13/712577013.db2.gz NUHVFPKZMZHNCL-VHSXEESVSA-N 1 3 214.309 0.609 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000876795673 712629667 /nfs/dbraw/zinc/62/96/67/712629667.db2.gz HLVUTAJJSNMPHM-VPOLOUISSA-N 1 3 243.326 0.143 20 0 BCADHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N)n1 ZINC000719364743 712806267 /nfs/dbraw/zinc/80/62/67/712806267.db2.gz GSOXXUXUIXEJAH-RKDXNWHRSA-N 1 3 221.308 0.872 20 0 BCADHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N)n1 ZINC000719364743 712806269 /nfs/dbraw/zinc/80/62/69/712806269.db2.gz GSOXXUXUIXEJAH-RKDXNWHRSA-N 1 3 221.308 0.872 20 0 BCADHO C[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416467 712841207 /nfs/dbraw/zinc/84/12/07/712841207.db2.gz PZYJQSNTCWNGDE-NWDGAFQWSA-N 1 3 240.347 0.618 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903763 712874887 /nfs/dbraw/zinc/87/48/87/712874887.db2.gz VVXRJURUSZHLFI-GRYCIOLGSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720894650 712875933 /nfs/dbraw/zinc/87/59/33/712875933.db2.gz WGWKBLQNRYCSSF-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720895504 712876640 /nfs/dbraw/zinc/87/66/40/712876640.db2.gz XWGJZHOOZNRBSB-UTLUCORTSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895504 712876642 /nfs/dbraw/zinc/87/66/42/712876642.db2.gz XWGJZHOOZNRBSB-UTLUCORTSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720895504 712876643 /nfs/dbraw/zinc/87/66/43/712876643.db2.gz XWGJZHOOZNRBSB-UTLUCORTSA-N 1 3 211.309 0.029 20 0 BCADHO O[C@@H](CN[C@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173800 712894559 /nfs/dbraw/zinc/89/45/59/712894559.db2.gz FXOVZSYWVVOUJI-RYUDHWBXSA-N 1 3 224.348 0.975 20 0 BCADHO C[NH+](C)[C@H]1CCCN(c2cc(CN)ncn2)C1 ZINC000383876390 721889182 /nfs/dbraw/zinc/88/91/82/721889182.db2.gz BYPUVJVGOFWLLY-NSHDSACASA-N 1 3 235.335 0.466 20 0 BCADHO COCCCN(C)C[C@H]1CCC[NH2+]C1 ZINC000062031626 398139173 /nfs/dbraw/zinc/13/91/73/398139173.db2.gz YKAGIJXGJBGJEV-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO COCCC[N@H+](C)C[C@H]1CCCNC1 ZINC000062031626 398139175 /nfs/dbraw/zinc/13/91/75/398139175.db2.gz YKAGIJXGJBGJEV-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO COCCC[N@@H+](C)C[C@H]1CCCNC1 ZINC000062031626 398139178 /nfs/dbraw/zinc/13/91/78/398139178.db2.gz YKAGIJXGJBGJEV-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CCN(CCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CC1 ZINC000649318410 398142569 /nfs/dbraw/zinc/14/25/69/398142569.db2.gz HFKOBCNMPBYUEG-JLLWLGSASA-N 1 3 237.347 0.337 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NCCN(C)C ZINC000044761385 168322024 /nfs/dbraw/zinc/32/20/24/168322024.db2.gz ZGROSVVGIYCCBI-UHFFFAOYSA-N 1 3 215.341 0.429 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000649322840 398144657 /nfs/dbraw/zinc/14/46/57/398144657.db2.gz PKDKIBWGYOBXAY-JTQLQIEISA-N 1 3 223.320 0.078 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000649322840 398144658 /nfs/dbraw/zinc/14/46/58/398144658.db2.gz PKDKIBWGYOBXAY-JTQLQIEISA-N 1 3 223.320 0.078 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000257704723 349482113 /nfs/dbraw/zinc/48/21/13/349482113.db2.gz PEIPLCWNFAJLMW-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000649341958 398158981 /nfs/dbraw/zinc/15/89/81/398158981.db2.gz CQPBTQYRQVRPJF-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062902391 349496301 /nfs/dbraw/zinc/49/63/01/349496301.db2.gz UHBNREILEZWOTA-DGCLKSJQSA-N 1 3 239.363 0.444 20 0 BCADHO CCN(C)CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000159589413 136214460 /nfs/dbraw/zinc/21/44/60/136214460.db2.gz DZUIRTJYRHREEY-LBPRGKRZSA-N 1 3 227.352 0.587 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973204 349503127 /nfs/dbraw/zinc/50/31/27/349503127.db2.gz VWGRGQKDTGHGSC-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972772 349503295 /nfs/dbraw/zinc/50/32/95/349503295.db2.gz UVVBUFAJFQQSTB-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](N)CC ZINC000649335044 398152321 /nfs/dbraw/zinc/15/23/21/398152321.db2.gz ARIVPEUHHDRKNJ-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000649335043 398152393 /nfs/dbraw/zinc/15/23/93/398152393.db2.gz ARIVPEUHHDRKNJ-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCCC(=O)N(C)C ZINC000422941656 398159477 /nfs/dbraw/zinc/15/94/77/398159477.db2.gz VGONUYSHYKTRDK-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000649341527 398158032 /nfs/dbraw/zinc/15/80/32/398158032.db2.gz DKZSJFLXDQPWSM-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH3+] ZINC000649359847 398171903 /nfs/dbraw/zinc/17/19/03/398171903.db2.gz FPZNKMCNEUWCFK-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1CN(CCN[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424293692 398181247 /nfs/dbraw/zinc/18/12/47/398181247.db2.gz PPGSISDRDKAXQA-YNEHKIRRSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CN1C1CC1 ZINC000649348144 398161208 /nfs/dbraw/zinc/16/12/08/398161208.db2.gz AEBNGQIYOWIDST-NPNZPCOPSA-N 1 3 249.358 0.478 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CN1C1CC1 ZINC000649348143 398161308 /nfs/dbraw/zinc/16/13/08/398161308.db2.gz AEBNGQIYOWIDST-HYZGHFONSA-N 1 3 249.358 0.478 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000258783982 349514308 /nfs/dbraw/zinc/51/43/08/349514308.db2.gz TYMDMHIQMPNLHA-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000379763096 398164994 /nfs/dbraw/zinc/16/49/94/398164994.db2.gz FYFGWEKNOUFXIW-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCN(C)C1CC1 ZINC000576224801 365528574 /nfs/dbraw/zinc/52/85/74/365528574.db2.gz CPOXWYFGCPXWPC-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)N(C)CCN(C)C ZINC000418354239 192027245 /nfs/dbraw/zinc/02/72/45/192027245.db2.gz DUCAAKNRASQUJS-SNVBAGLBSA-N 1 3 230.356 0.045 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000576281151 365549356 /nfs/dbraw/zinc/54/93/56/365549356.db2.gz VTYPWSVMABGRHO-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000576281151 365549362 /nfs/dbraw/zinc/54/93/62/365549362.db2.gz VTYPWSVMABGRHO-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO CCC[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)OC ZINC000386436732 398207452 /nfs/dbraw/zinc/20/74/52/398207452.db2.gz MCLCXVVEDZLVMN-IJLUTSLNSA-N 1 3 212.337 0.953 20 0 BCADHO CCC[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436733 398207787 /nfs/dbraw/zinc/20/77/87/398207787.db2.gz MCLCXVVEDZLVMN-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCCCc1ncn(C)n1 ZINC000647801231 398207828 /nfs/dbraw/zinc/20/78/28/398207828.db2.gz RYMOMQNFZGNTAE-NXEZZACHSA-N 1 3 225.340 0.463 20 0 BCADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000647801231 398207831 /nfs/dbraw/zinc/20/78/31/398207831.db2.gz RYMOMQNFZGNTAE-NXEZZACHSA-N 1 3 225.340 0.463 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCCCc1ncn(C)n1 ZINC000647801234 398207884 /nfs/dbraw/zinc/20/78/84/398207884.db2.gz RYMOMQNFZGNTAE-ZJUUUORDSA-N 1 3 225.340 0.463 20 0 BCADHO C[C@@H](N)C[C@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000647801234 398207886 /nfs/dbraw/zinc/20/78/86/398207886.db2.gz RYMOMQNFZGNTAE-ZJUUUORDSA-N 1 3 225.340 0.463 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000576343411 365570802 /nfs/dbraw/zinc/57/08/02/365570802.db2.gz QHUSMQUVGWPVOI-ZDUSSCGKSA-N 1 3 237.347 0.341 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418365733 192028985 /nfs/dbraw/zinc/02/89/85/192028985.db2.gz FEUXMUOICBOFGZ-DCAQKATOSA-N 1 3 242.367 0.234 20 0 BCADHO CN(CCNC(=O)NCCC[NH+](C)C)C1CC1 ZINC000602395390 349519827 /nfs/dbraw/zinc/51/98/27/349519827.db2.gz JJENLZJCIOUWAL-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418365732 192028726 /nfs/dbraw/zinc/02/87/26/192028726.db2.gz FEUXMUOICBOFGZ-AXFHLTTASA-N 1 3 242.367 0.234 20 0 BCADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)CNC2CC2)C1 ZINC000576457725 365600956 /nfs/dbraw/zinc/60/09/56/365600956.db2.gz QUGYYFJHYWYZDQ-NSHDSACASA-N 1 3 245.326 0.655 20 0 BCADHO CN(C)CC(C)(C)NC(=O)NCC(C)(C)[NH3+] ZINC000418416169 192034862 /nfs/dbraw/zinc/03/48/62/192034862.db2.gz PVOQEZRTNIGTBF-UHFFFAOYSA-N 1 3 230.356 0.363 20 0 BCADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000629946910 361793991 /nfs/dbraw/zinc/79/39/91/361793991.db2.gz DPVQFBNSXCMLHO-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO CCC(CC)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000308932931 168362241 /nfs/dbraw/zinc/36/22/41/168362241.db2.gz MWRHCDZMOGWOPD-WDEREUQCSA-N 1 3 200.326 0.593 20 0 BCADHO CCC(CC)C[NH2+]C[C@H]1CNC[C@H]1O ZINC000308932931 168362243 /nfs/dbraw/zinc/36/22/43/168362243.db2.gz MWRHCDZMOGWOPD-WDEREUQCSA-N 1 3 200.326 0.593 20 0 BCADHO CCCN(C(=O)CNC1CC1)C1CC[NH2+]CC1 ZINC000576463404 365602187 /nfs/dbraw/zinc/60/21/87/365602187.db2.gz NAWSWLJSPDDTGL-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CN(CCN2CCC(C[NH3+])CC2)CCO1 ZINC000576465522 365603360 /nfs/dbraw/zinc/60/33/60/365603360.db2.gz DXQIXMXAQJJPIE-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576475560 365606522 /nfs/dbraw/zinc/60/65/22/365606522.db2.gz KNPFXUPDVQNSPR-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCN(CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000381253836 398244319 /nfs/dbraw/zinc/24/43/19/398244319.db2.gz PJSYVQFAKDPKIB-CMPLNLGQSA-N 1 3 222.336 0.869 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NCCN(C)C ZINC000418421496 192037038 /nfs/dbraw/zinc/03/70/38/192037038.db2.gz BLKZAQHPHSQPTO-JTQLQIEISA-N 1 3 230.356 0.221 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000576515219 365614542 /nfs/dbraw/zinc/61/45/42/365614542.db2.gz FJNZKZDQIUKBAF-MXWKQRLJSA-N 1 3 225.336 0.134 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000576515223 365614647 /nfs/dbraw/zinc/61/46/47/365614647.db2.gz FJNZKZDQIUKBAF-VWYCJHECSA-N 1 3 225.336 0.134 20 0 BCADHO C[C@H]1CN(C(=O)C2(N)CCC2)CC[C@H]1[NH3+] ZINC000576517012 365615397 /nfs/dbraw/zinc/61/53/97/365615397.db2.gz RSSQNYMRIHLHCJ-DTWKUNHWSA-N 1 3 211.309 0.064 20 0 BCADHO OCCCCN(C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000390748354 398247290 /nfs/dbraw/zinc/24/72/90/398247290.db2.gz AXPAGHMQQLHTKY-LLVKDONJSA-N 1 3 212.337 0.833 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000381224967 398252947 /nfs/dbraw/zinc/25/29/47/398252947.db2.gz JRMBQCPCBDCADV-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000383194887 398257340 /nfs/dbraw/zinc/25/73/40/398257340.db2.gz VFRGEBJZMQYDSL-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000383194887 398257343 /nfs/dbraw/zinc/25/73/43/398257343.db2.gz VFRGEBJZMQYDSL-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1NCC1(C)C ZINC000381566320 398264812 /nfs/dbraw/zinc/26/48/12/398264812.db2.gz SQIZFXIZKCUPOT-RKDXNWHRSA-N 1 3 213.325 0.084 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000335388719 136235052 /nfs/dbraw/zinc/23/50/52/136235052.db2.gz KJZGAAWFPDHKSM-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1CCN(C)CC1 ZINC000036793947 538961201 /nfs/dbraw/zinc/96/12/01/538961201.db2.gz YRXCSBXMYKCLPC-MNOVXSKESA-N 1 3 241.379 0.783 20 0 BCADHO CCC[NH2+]CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418489281 192041598 /nfs/dbraw/zinc/04/15/98/192041598.db2.gz NCIOLSZJTNLBIE-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO CC1CC(NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000166622625 361853543 /nfs/dbraw/zinc/85/35/43/361853543.db2.gz AEJIGUFLZLJKEI-MCIGGMRASA-N 1 3 212.337 0.831 20 0 BCADHO O[C@@H](CN[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000166814151 361857636 /nfs/dbraw/zinc/85/76/36/361857636.db2.gz UXLPJMGKDSMZBV-QWRGUYRKSA-N 1 3 230.377 0.538 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000167207102 361861891 /nfs/dbraw/zinc/86/18/91/361861891.db2.gz KAIJEOPXHAIVIP-JTQLQIEISA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000167207102 361861895 /nfs/dbraw/zinc/86/18/95/361861895.db2.gz KAIJEOPXHAIVIP-JTQLQIEISA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000037978547 538964896 /nfs/dbraw/zinc/96/48/96/538964896.db2.gz LJLZWLGXDNYNGA-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN(C)C1CCC1 ZINC000629991665 361877367 /nfs/dbraw/zinc/87/73/67/361877367.db2.gz GPINVODYWYREFG-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO CCc1cc(NCCN2CC[C@@H](O)C2)cc[nH+]1 ZINC000624678311 342818495 /nfs/dbraw/zinc/81/84/95/342818495.db2.gz GMFYOTHBGJBBLM-CYBMUJFWSA-N 1 3 235.331 0.544 20 0 BCADHO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN2CCC1CC2 ZINC000335464333 398288779 /nfs/dbraw/zinc/28/87/79/398288779.db2.gz PQKLULLWKZDSDP-OCCSQVGLSA-N 1 3 249.358 0.293 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464143 398288962 /nfs/dbraw/zinc/28/89/62/398288962.db2.gz IUHOFHBLGIJFMH-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(C)[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379939634 538982271 /nfs/dbraw/zinc/98/22/71/538982271.db2.gz YOSFLACDYHDPMZ-AXFHLTTASA-N 1 3 212.337 0.545 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417818959 398294003 /nfs/dbraw/zinc/29/40/03/398294003.db2.gz SVFFNOUXJSZLLJ-MNOVXSKESA-N 1 3 227.352 0.490 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822068 398294455 /nfs/dbraw/zinc/29/44/55/398294455.db2.gz JAHJURALENNSES-NNYUYHANSA-N 1 3 237.347 0.052 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335628205 136241124 /nfs/dbraw/zinc/24/11/24/136241124.db2.gz YAZPHNUMOCVLRK-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCC[NH3+] ZINC000417883468 398298990 /nfs/dbraw/zinc/29/89/90/398298990.db2.gz WKNQLZXQSGSYFI-MWLCHTKSSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC[NH2+]C2CC2)[C@H]1C ZINC000584004269 342900133 /nfs/dbraw/zinc/90/01/33/342900133.db2.gz FYWJJVNSEBMPJW-UWVGGRQHSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)N(C)C1CC1 ZINC000167334573 136245830 /nfs/dbraw/zinc/24/58/30/136245830.db2.gz DTEFNRJWMPPQMY-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494649341 529417408 /nfs/dbraw/zinc/41/74/08/529417408.db2.gz MWSUXVFTWSHXQA-VWYCJHECSA-N 1 3 229.368 0.994 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418602665 192054583 /nfs/dbraw/zinc/05/45/83/192054583.db2.gz NNPPBFGJQYYYHT-MXWKQRLJSA-N 1 3 242.367 0.376 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000037616058 398332634 /nfs/dbraw/zinc/33/26/34/398332634.db2.gz OFKKFRAXBJHXOV-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CCCC[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000037480483 342937463 /nfs/dbraw/zinc/93/74/63/342937463.db2.gz YAJQVSLYRWOGRO-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824279 398334806 /nfs/dbraw/zinc/33/48/06/398334806.db2.gz ZFJVESJGNFMFFK-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351770215 136253310 /nfs/dbraw/zinc/25/33/10/136253310.db2.gz NMNSMVAJJAAQKI-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)CO[C@H]1CCN(CCOCC[NH3+])C1 ZINC000357100446 187213234 /nfs/dbraw/zinc/21/32/34/187213234.db2.gz FTAIDRZEKZTPJY-LBPRGKRZSA-N 1 3 230.352 0.709 20 0 BCADHO CCCCNC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351856797 136258334 /nfs/dbraw/zinc/25/83/34/136258334.db2.gz WKXDBNUEMFNMKP-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351856798 136258480 /nfs/dbraw/zinc/25/84/80/136258480.db2.gz WKXDBNUEMFNMKP-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1)N(C)C ZINC000359383839 187216411 /nfs/dbraw/zinc/21/64/11/187216411.db2.gz SNZDQINYYSFLMC-IJLUTSLNSA-N 1 3 239.363 0.250 20 0 BCADHO CN(C)CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418625607 192058117 /nfs/dbraw/zinc/05/81/17/192058117.db2.gz QRQFRUBEGGYXKW-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)C(C)(C)C ZINC000162625347 349764034 /nfs/dbraw/zinc/76/40/34/349764034.db2.gz ZQIXKEROJHNMTD-ZJUUUORDSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309452916 259343514 /nfs/dbraw/zinc/34/35/14/259343514.db2.gz MYYQJIYFBMGOKO-KXUCPTDWSA-N 1 3 213.325 0.084 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000562808900 323031144 /nfs/dbraw/zinc/03/11/44/323031144.db2.gz WLNBWYRPWKKGAL-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000309452917 259343274 /nfs/dbraw/zinc/34/32/74/259343274.db2.gz MYYQJIYFBMGOKO-LPEHRKFASA-N 1 3 213.325 0.084 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373054366 187223210 /nfs/dbraw/zinc/22/32/10/187223210.db2.gz VSDPKSBJGHDNJE-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](O)[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000576823100 365694313 /nfs/dbraw/zinc/69/43/13/365694313.db2.gz NNVYWJDSEFXOBT-ZYHUDNBSSA-N 1 3 228.336 0.068 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H](CO)C1CCCC1 ZINC000386377106 343052264 /nfs/dbraw/zinc/05/22/64/343052264.db2.gz QYZQPKFJWFDZSC-OLZOCXBDSA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](CO)C1CCCC1 ZINC000386377106 343052266 /nfs/dbraw/zinc/05/22/66/343052266.db2.gz QYZQPKFJWFDZSC-OLZOCXBDSA-N 1 3 244.379 0.440 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089242 343059214 /nfs/dbraw/zinc/05/92/14/343059214.db2.gz QMZHSJOYNSSBNM-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CCCN(C(=O)CNC)C1CC[NH2+]CC1 ZINC000236790994 343111124 /nfs/dbraw/zinc/11/11/24/343111124.db2.gz FWESVVISDHXZPP-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H](C)CC[NH+](C)C ZINC000049557235 343111453 /nfs/dbraw/zinc/11/14/53/343111453.db2.gz DNIGWLKMECXLKM-NWDGAFQWSA-N 1 3 232.368 0.702 20 0 BCADHO C[C@@H]1CN(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000251712809 343125297 /nfs/dbraw/zinc/12/52/97/343125297.db2.gz JNEJUWQHHRHPLY-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000237058813 136272037 /nfs/dbraw/zinc/27/20/37/136272037.db2.gz HRNRVFHLZWWQIE-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000576942141 365728261 /nfs/dbraw/zinc/72/82/61/365728261.db2.gz XXCNXCIZVACDEG-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](CN1CCCC1=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093215017 343151115 /nfs/dbraw/zinc/15/11/15/343151115.db2.gz UOGJVLGEQJWQCA-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093215017 343151118 /nfs/dbraw/zinc/15/11/18/343151118.db2.gz UOGJVLGEQJWQCA-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CSCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000580549942 365739839 /nfs/dbraw/zinc/73/98/39/365739839.db2.gz VVZHBBAMHWCCRI-AEJSXWLSSA-N 1 3 245.392 0.263 20 0 BCADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(N)CCC1 ZINC000147581470 136273464 /nfs/dbraw/zinc/27/34/64/136273464.db2.gz ACKGJSOVDBKGPD-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000308894945 346930274 /nfs/dbraw/zinc/93/02/74/346930274.db2.gz IQPVCOGPOGLNBI-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CC[C@@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000308894945 346930277 /nfs/dbraw/zinc/93/02/77/346930277.db2.gz IQPVCOGPOGLNBI-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC1CC1 ZINC000237677764 343162578 /nfs/dbraw/zinc/16/25/78/343162578.db2.gz NNRCSPICCULLPK-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)CNC1CC1 ZINC000237677764 343162580 /nfs/dbraw/zinc/16/25/80/343162580.db2.gz NNRCSPICCULLPK-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC000177838262 136274443 /nfs/dbraw/zinc/27/44/43/136274443.db2.gz WLHYWHWVEBRPEG-NEPJUHHUSA-N 1 3 230.352 0.267 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC000177838262 136274444 /nfs/dbraw/zinc/27/44/44/136274444.db2.gz WLHYWHWVEBRPEG-NEPJUHHUSA-N 1 3 230.352 0.267 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186718702 187245954 /nfs/dbraw/zinc/24/59/54/187245954.db2.gz WNMHTWXDLAOTFN-GARJFASQSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@@H](C(=O)NCCN1CCCCCC1)[C@H](C)[NH3+] ZINC000156740654 343198895 /nfs/dbraw/zinc/19/88/95/343198895.db2.gz KKXFUMLQMSVJDM-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC[NH2+]C2CC2)CCN1C ZINC000157876967 343200070 /nfs/dbraw/zinc/20/00/70/343200070.db2.gz MVLGVVHFTDQNDO-CMPLNLGQSA-N 1 3 239.363 0.727 20 0 BCADHO CO[C@H]1CC[N@H+](CCCF)[C@H](CN)C1 ZINC000159323836 343201892 /nfs/dbraw/zinc/20/18/92/343201892.db2.gz QOZAQORMZCDYCW-UWVGGRQHSA-N 1 3 204.289 0.784 20 0 BCADHO CO[C@H]1CC[N@@H+](CCCF)[C@H](CN)C1 ZINC000159323836 343201894 /nfs/dbraw/zinc/20/18/94/343201894.db2.gz QOZAQORMZCDYCW-UWVGGRQHSA-N 1 3 204.289 0.784 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000161053194 343204269 /nfs/dbraw/zinc/20/42/69/343204269.db2.gz QNJKTHDAKKIXOG-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCCCC[NH3+])C1 ZINC000167421606 343208909 /nfs/dbraw/zinc/20/89/09/343208909.db2.gz NDFMWJWMXJNNJK-UWVGGRQHSA-N 1 3 213.325 0.230 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCCCC[NH3+])C1 ZINC000167421709 343209257 /nfs/dbraw/zinc/20/92/57/343209257.db2.gz NDFMWJWMXJNNJK-NXEZZACHSA-N 1 3 213.325 0.230 20 0 BCADHO [NH3+]CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000169152435 343211026 /nfs/dbraw/zinc/21/10/26/343211026.db2.gz XYCBOJXISUQZJO-UHFFFAOYSA-N 1 3 219.288 0.368 20 0 BCADHO CCN1CCC(N(C)C(=O)CC2([NH3+])CC2)CC1 ZINC000398065214 488206861 /nfs/dbraw/zinc/20/68/61/488206861.db2.gz HIXNRFSIDBMOFB-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471734 136281446 /nfs/dbraw/zinc/28/14/46/136281446.db2.gz QNVQYHUHSCOKHP-ZJUUUORDSA-N 1 3 215.341 0.428 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)CC(C)C ZINC000087471659 136281599 /nfs/dbraw/zinc/28/15/99/136281599.db2.gz UWDVFROQIOVKPG-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO CNCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091215 136284339 /nfs/dbraw/zinc/28/43/39/136284339.db2.gz SXHIALZJKHAQMU-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091215 136284340 /nfs/dbraw/zinc/28/43/40/136284340.db2.gz SXHIALZJKHAQMU-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091212 136284540 /nfs/dbraw/zinc/28/45/40/136284540.db2.gz ZCHJCGYUQQDBTN-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091212 136284541 /nfs/dbraw/zinc/28/45/41/136284541.db2.gz ZCHJCGYUQQDBTN-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000584051627 343307088 /nfs/dbraw/zinc/30/70/88/343307088.db2.gz ITJGETIMAZNMRN-UTLUCORTSA-N 1 3 230.356 0.362 20 0 BCADHO CC1(C)CN(C(=O)c2ccc(C[NH3+])cc2)CCN1 ZINC000335627025 136299968 /nfs/dbraw/zinc/29/99/68/136299968.db2.gz OOIDVLGCWGMQHT-UHFFFAOYSA-N 1 3 247.342 0.969 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCC1 ZINC000335662316 136315323 /nfs/dbraw/zinc/31/53/23/136315323.db2.gz IWWMQGLFPGARLX-UWVGGRQHSA-N 1 3 225.336 0.502 20 0 BCADHO CN(C(=O)C1CCN(C)CC1)C1(C[NH3+])CCC1 ZINC000335662213 136315347 /nfs/dbraw/zinc/31/53/47/136315347.db2.gz HGTQHVXYTKXGLH-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000335662881 136315553 /nfs/dbraw/zinc/31/55/53/136315553.db2.gz PMFPXDQLUQWAJY-WDEREUQCSA-N 1 3 237.347 0.326 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000349079178 136322650 /nfs/dbraw/zinc/32/26/50/136322650.db2.gz ISFMAYROMXRPKP-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CN(C)[C@H](CNC(=O)CC[NH3+])c1ccccc1 ZINC000040802232 343409440 /nfs/dbraw/zinc/40/94/40/343409440.db2.gz TWTYLYUSVXITFT-GFCCVEGCSA-N 1 3 235.331 0.754 20 0 BCADHO C[NH+](C)Cc1ccccc1CNC(=O)CN ZINC000040855247 343409885 /nfs/dbraw/zinc/40/98/85/343409885.db2.gz VPVPUGOZCSUXIB-UHFFFAOYSA-N 1 3 221.304 0.323 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[NH+]1CCC(C)CC1 ZINC000166336192 136351827 /nfs/dbraw/zinc/35/18/27/136351827.db2.gz SBZMNHBVMOCNMP-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000166335841 136351978 /nfs/dbraw/zinc/35/19/78/136351978.db2.gz SBZMNHBVMOCNMP-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000335701471 136334159 /nfs/dbraw/zinc/33/41/59/136334159.db2.gz MLODXYOHWFMSTN-QWRGUYRKSA-N 1 3 237.347 0.468 20 0 BCADHO CN1CCCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000082249008 343437859 /nfs/dbraw/zinc/43/78/59/343437859.db2.gz SUEDZCKEFAVKTP-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNCCC(N)=O)C1 ZINC000570037684 323047931 /nfs/dbraw/zinc/04/79/31/323047931.db2.gz VOCYBUZDYGAHAW-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNCCC(N)=O)C1 ZINC000570037684 323047932 /nfs/dbraw/zinc/04/79/32/323047932.db2.gz VOCYBUZDYGAHAW-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000570037684 323047933 /nfs/dbraw/zinc/04/79/33/323047933.db2.gz VOCYBUZDYGAHAW-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO C[C@H]1CN(CCN[C@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046106 323048433 /nfs/dbraw/zinc/04/84/33/323048433.db2.gz QTNKTEZTUJOPAG-WCQYABFASA-N 1 3 241.379 0.424 20 0 BCADHO C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)[NH+](C)C ZINC000616488330 343471082 /nfs/dbraw/zinc/47/10/82/343471082.db2.gz JGRYBLYOZRDGTI-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C[C@H](C)O ZINC000310401739 343472317 /nfs/dbraw/zinc/47/23/17/343472317.db2.gz NFOSVSYUBLMSPZ-XQQFMLRXSA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C[C@H](C)O ZINC000310401739 343472319 /nfs/dbraw/zinc/47/23/19/343472319.db2.gz NFOSVSYUBLMSPZ-XQQFMLRXSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H]1CC[N@H+](CC(=O)N(C)CC2CN(C)C2)C1 ZINC000618190510 343551942 /nfs/dbraw/zinc/55/19/42/343551942.db2.gz VYYYLDFOEQSLCU-NSHDSACASA-N 1 3 239.363 0.348 20 0 BCADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CN(C)C2)C1 ZINC000618190510 343551944 /nfs/dbraw/zinc/55/19/44/343551944.db2.gz VYYYLDFOEQSLCU-NSHDSACASA-N 1 3 239.363 0.348 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000086271850 343616237 /nfs/dbraw/zinc/61/62/37/343616237.db2.gz ZMTSMNAXMBASTK-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH2+]CCCN1CCNC[C@@H]1C(F)F ZINC000379970335 365785302 /nfs/dbraw/zinc/78/53/02/365785302.db2.gz AYJFWNQNJZAECC-MRVPVSSYSA-N 1 3 207.268 0.135 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)CNC1CC1 ZINC000153922567 343706227 /nfs/dbraw/zinc/70/62/27/343706227.db2.gz SFNCXONVHZWOAL-JTQLQIEISA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)CNC1CC1 ZINC000153922668 343706258 /nfs/dbraw/zinc/70/62/58/343706258.db2.gz SFNCXONVHZWOAL-SNVBAGLBSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1C ZINC000154669836 343745672 /nfs/dbraw/zinc/74/56/72/343745672.db2.gz GWYJYIILNQPAMY-PWSUYJOCSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)CNC2CC2)CC[N@H+]1C ZINC000154669836 343745673 /nfs/dbraw/zinc/74/56/73/343745673.db2.gz GWYJYIILNQPAMY-PWSUYJOCSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418731262 192065579 /nfs/dbraw/zinc/06/55/79/192065579.db2.gz PTDMTUFHDTXSRB-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@@H]1CCSC1)C1CC1 ZINC000309119800 346968662 /nfs/dbraw/zinc/96/86/62/346968662.db2.gz SQOIFUXULRPRKE-KOLCDFICSA-N 1 3 230.377 0.537 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CCSC1)C1CC1 ZINC000309119800 346968666 /nfs/dbraw/zinc/96/86/66/346968666.db2.gz SQOIFUXULRPRKE-KOLCDFICSA-N 1 3 230.377 0.537 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000309091870 346963638 /nfs/dbraw/zinc/96/36/38/346963638.db2.gz BLGLUTWDGBWYLC-DTWKUNHWSA-N 1 3 201.314 0.357 20 0 BCADHO N[C@@H](CNC(=O)CCC[NH3+])c1ccccc1 ZINC000576516137 343752503 /nfs/dbraw/zinc/75/25/03/343752503.db2.gz KOLGSZFWUPCCAW-NSHDSACASA-N 1 3 221.304 0.542 20 0 BCADHO CN(C)CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418728983 192065380 /nfs/dbraw/zinc/06/53/80/192065380.db2.gz RJCLDUNUHTUXIP-GHMZBOCLSA-N 1 3 242.367 0.365 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000262675447 349861282 /nfs/dbraw/zinc/86/12/82/349861282.db2.gz RPGXZIJBPIOUMU-NWDGAFQWSA-N 1 3 241.379 0.690 20 0 BCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N ZINC000263265936 349861404 /nfs/dbraw/zinc/86/14/04/349861404.db2.gz NQZLXVBWFVNRDW-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N ZINC000263265936 349861405 /nfs/dbraw/zinc/86/14/05/349861405.db2.gz NQZLXVBWFVNRDW-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000309265517 347009020 /nfs/dbraw/zinc/00/90/20/347009020.db2.gz CAQZMSANJVSYAK-NXEZZACHSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000569342990 343938845 /nfs/dbraw/zinc/93/88/45/343938845.db2.gz PLEQDPXFKGIJRZ-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(CO)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000395122431 362256950 /nfs/dbraw/zinc/25/69/50/362256950.db2.gz VAOHJVNTXGIOKJ-LBPRGKRZSA-N 1 3 244.379 0.441 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)N)C1 ZINC000040624387 187281357 /nfs/dbraw/zinc/28/13/57/187281357.db2.gz AGWAACZGTXWJKZ-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)N)C1 ZINC000040624387 187281359 /nfs/dbraw/zinc/28/13/59/187281359.db2.gz AGWAACZGTXWJKZ-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CN(C)CCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233784 362286013 /nfs/dbraw/zinc/28/60/13/362286013.db2.gz YRVJUVMOHWNZBJ-UHFFFAOYSA-N 1 3 237.351 0.382 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000155235323 344108886 /nfs/dbraw/zinc/10/88/86/344108886.db2.gz BFWNHEJYUSAWNA-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000130481478 344141789 /nfs/dbraw/zinc/14/17/89/344141789.db2.gz WTVNYTVJYHHCAN-ZYHUDNBSSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000130481478 344141793 /nfs/dbraw/zinc/14/17/93/344141793.db2.gz WTVNYTVJYHHCAN-ZYHUDNBSSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000130550517 344146958 /nfs/dbraw/zinc/14/69/58/344146958.db2.gz GWWCQXYTMSWICK-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000130558995 344148123 /nfs/dbraw/zinc/14/81/23/344148123.db2.gz JAICIVGZINGAJC-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000130625678 344151420 /nfs/dbraw/zinc/15/14/20/344151420.db2.gz CPYYENXTFBCARY-KJLIAQIISA-N 1 3 225.336 0.465 20 0 BCADHO Cn1nncc1CNCCCC[NH+](C)C ZINC000129735832 344214311 /nfs/dbraw/zinc/21/43/11/344214311.db2.gz NNWUMNALMWGOSJ-UHFFFAOYSA-N 1 3 211.313 0.247 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000236649787 187289361 /nfs/dbraw/zinc/28/93/61/187289361.db2.gz HUIPGWSEZLUHNL-SNVBAGLBSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092004534 344287525 /nfs/dbraw/zinc/28/75/25/344287525.db2.gz HYMXTFTXABFPKX-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573605411 344326352 /nfs/dbraw/zinc/32/63/52/344326352.db2.gz QNBQAFMDGFZTTL-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000035663364 344330384 /nfs/dbraw/zinc/33/03/84/344330384.db2.gz LUAWBCJOSIIFID-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000570802374 323070947 /nfs/dbraw/zinc/07/09/47/323070947.db2.gz MORBEUAQNNISCE-AXFHLTTASA-N 1 3 243.351 0.079 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)CCSC ZINC000131874174 344356472 /nfs/dbraw/zinc/35/64/72/344356472.db2.gz NCXSMIAZDKMVBR-IUCAKERBSA-N 1 3 233.381 0.039 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807168 344356990 /nfs/dbraw/zinc/35/69/90/344356990.db2.gz ACNZELUBADOWDX-VIFPVBQESA-N 1 3 215.341 0.426 20 0 BCADHO COC(=O)CCCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000600712354 344361739 /nfs/dbraw/zinc/36/17/39/344361739.db2.gz XFQAKVJPZHCPOU-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000584287443 344421567 /nfs/dbraw/zinc/42/15/67/344421567.db2.gz KSTCZAMLCOUTKU-OUAUKWLOSA-N 1 3 212.337 0.996 20 0 BCADHO COC(=O)C(C)(C)CCN(C)CCOCC[NH3+] ZINC000600775971 344370943 /nfs/dbraw/zinc/37/09/43/344370943.db2.gz UUBAYKSRCPJPGG-UHFFFAOYSA-N 1 3 246.351 0.483 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000309452915 259375581 /nfs/dbraw/zinc/37/55/81/259375581.db2.gz MYYQJIYFBMGOKO-IVZWLZJFSA-N 1 3 213.325 0.084 20 0 BCADHO CC[C@@]1(C(=O)NCCN(C)C)CCC[NH2+]1 ZINC000215695689 344395437 /nfs/dbraw/zinc/39/54/37/344395437.db2.gz DEJDFZUKSIGHSY-NSHDSACASA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037001225 344484975 /nfs/dbraw/zinc/48/49/75/344484975.db2.gz RWVLYNZETWRGPN-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484946 344508682 /nfs/dbraw/zinc/50/86/82/344508682.db2.gz IIDFUFANGWLBQH-PWSUYJOCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484946 344508684 /nfs/dbraw/zinc/50/86/84/344508684.db2.gz IIDFUFANGWLBQH-PWSUYJOCSA-N 1 3 227.352 0.572 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC[NH2+]C ZINC000043599880 344529443 /nfs/dbraw/zinc/52/94/43/344529443.db2.gz SUQHYKPQUBMBPG-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO [NH3+]C1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000382004749 347054193 /nfs/dbraw/zinc/05/41/93/347054193.db2.gz KQWWNQDAPZDNLY-JQWIXIFHSA-N 1 3 212.337 0.961 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649619 344555044 /nfs/dbraw/zinc/55/50/44/344555044.db2.gz KHADRUWTDZBPGA-PWSUYJOCSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649619 344555048 /nfs/dbraw/zinc/55/50/48/344555048.db2.gz KHADRUWTDZBPGA-PWSUYJOCSA-N 1 3 239.363 0.570 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812659 344591701 /nfs/dbraw/zinc/59/17/01/344591701.db2.gz KKPQCLFVBATCJJ-YPMHNXCESA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)(C)CCN1CCN(CC[NH3+])CC1 ZINC000049254384 344601439 /nfs/dbraw/zinc/60/14/39/344601439.db2.gz OROUJOKVKFKLEG-UHFFFAOYSA-N 1 3 213.369 0.999 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578191570 344723692 /nfs/dbraw/zinc/72/36/92/344723692.db2.gz YCIPPMJNKXGECU-OUAUKWLOSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)[C@@H](C)NC[C@@H]1C[NH2+]CCCO1 ZINC000319009605 259381729 /nfs/dbraw/zinc/38/17/29/259381729.db2.gz OXNVPPGTRIDUQM-MNOVXSKESA-N 1 3 200.326 0.999 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)CNC1CC1 ZINC000153930973 345000922 /nfs/dbraw/zinc/00/09/22/345000922.db2.gz BEDZFSNLJMMNPH-SNVBAGLBSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)CN(C)C ZINC000154303151 345026149 /nfs/dbraw/zinc/02/61/49/345026149.db2.gz XXNMEYNELWPRSA-MROQNXINSA-N 1 3 243.395 0.227 20 0 BCADHO CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000154395987 345030920 /nfs/dbraw/zinc/03/09/20/345030920.db2.gz XDIHQQKFEGDROS-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@]1(F)CNCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000634994623 345182856 /nfs/dbraw/zinc/18/28/56/345182856.db2.gz JCVZFYQYXJEVOL-CXQJBGSLSA-N 1 3 227.327 0.372 20 0 BCADHO C[C@@H]1[C@@H](C)N(CC23CC(C2)C[NH2+]3)CCN1C ZINC000634994673 345182913 /nfs/dbraw/zinc/18/29/13/345182913.db2.gz KDKNRBPSYMVLAW-OKZRHMCRSA-N 1 3 223.364 0.763 20 0 BCADHO CN1CCN(CC23CC(C2)C[NH2+]3)C(C)(C)C1 ZINC000634992838 345188300 /nfs/dbraw/zinc/18/83/00/345188300.db2.gz CLVRKQGBTWPFCA-UHFFFAOYSA-N 1 3 223.364 0.764 20 0 BCADHO CN(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635069309 345238733 /nfs/dbraw/zinc/23/87/33/345238733.db2.gz PGHNYLKLSSPNLF-UHFFFAOYSA-N 1 3 213.325 0.006 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000131720893 345306095 /nfs/dbraw/zinc/30/60/95/345306095.db2.gz LIXXWLNBGQJREG-VHSXEESVSA-N 1 3 245.392 0.325 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000158527458 345345827 /nfs/dbraw/zinc/34/58/27/345345827.db2.gz KGDOZCRMSMHDNF-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248447980 345389292 /nfs/dbraw/zinc/38/92/92/345389292.db2.gz DLJZROFGXAQEDX-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC[NH+]1CCC(NCCC(=O)NC(C)C)CC1 ZINC000158380134 345325986 /nfs/dbraw/zinc/32/59/86/345325986.db2.gz DXVVORKXXNBINQ-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(C)CC1 ZINC000635526524 345421815 /nfs/dbraw/zinc/42/18/15/345421815.db2.gz ASDWXZUNASPLRY-ZJUUUORDSA-N 1 3 240.351 0.212 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000449175331 201827882 /nfs/dbraw/zinc/82/78/82/201827882.db2.gz JRLNBYQMPFNEIH-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO COC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000068892052 349931134 /nfs/dbraw/zinc/93/11/34/349931134.db2.gz KFJDNFDPOSHHLI-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000068892052 349931135 /nfs/dbraw/zinc/93/11/35/349931135.db2.gz KFJDNFDPOSHHLI-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563100965 323092463 /nfs/dbraw/zinc/09/24/63/323092463.db2.gz LLBKZHHQIXEESH-BDAKNGLRSA-N 1 3 249.305 0.475 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140251 345645325 /nfs/dbraw/zinc/64/53/25/345645325.db2.gz UHSRZMRIRHIOIN-UMSGYPCISA-N 1 3 242.363 0.144 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140251 345645328 /nfs/dbraw/zinc/64/53/28/345645328.db2.gz UHSRZMRIRHIOIN-UMSGYPCISA-N 1 3 242.363 0.144 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000563116845 323093291 /nfs/dbraw/zinc/09/32/91/323093291.db2.gz OMTDNCCTSFFJRQ-UTLUCORTSA-N 1 3 213.325 0.213 20 0 BCADHO CCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000220578305 345746644 /nfs/dbraw/zinc/74/66/44/345746644.db2.gz MNJWJNMRKVPVEZ-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635559516 345748169 /nfs/dbraw/zinc/74/81/69/345748169.db2.gz SSOAYFGCCSUVIR-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635559516 345748170 /nfs/dbraw/zinc/74/81/70/345748170.db2.gz SSOAYFGCCSUVIR-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635559514 345748729 /nfs/dbraw/zinc/74/87/29/345748729.db2.gz SSOAYFGCCSUVIR-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635559514 345748730 /nfs/dbraw/zinc/74/87/30/345748730.db2.gz SSOAYFGCCSUVIR-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]CCCN1CCNC[C@H]1c1ccncc1 ZINC000196816048 345725747 /nfs/dbraw/zinc/72/57/47/345725747.db2.gz XTLPHSOXUBVUOQ-LBPRGKRZSA-N 1 3 220.320 0.377 20 0 BCADHO C[S@@](=O)CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982138 345766508 /nfs/dbraw/zinc/76/65/08/345766508.db2.gz WQBGQSDNBSSOLL-HSMVNMDESA-N 1 3 244.404 0.971 20 0 BCADHO C[S@@](=O)CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982138 345766512 /nfs/dbraw/zinc/76/65/12/345766512.db2.gz WQBGQSDNBSSOLL-HSMVNMDESA-N 1 3 244.404 0.971 20 0 BCADHO C[S@@](=O)CCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000159982138 345766513 /nfs/dbraw/zinc/76/65/13/345766513.db2.gz WQBGQSDNBSSOLL-HSMVNMDESA-N 1 3 244.404 0.971 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635929178 346110884 /nfs/dbraw/zinc/11/08/84/346110884.db2.gz RPXNQPDDBWLIOC-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635929178 346110886 /nfs/dbraw/zinc/11/08/86/346110886.db2.gz RPXNQPDDBWLIOC-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000636028901 346164927 /nfs/dbraw/zinc/16/49/27/346164927.db2.gz GZJGMIFGCRCWCE-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000636028901 346164930 /nfs/dbraw/zinc/16/49/30/346164930.db2.gz GZJGMIFGCRCWCE-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCN1C(=O)C[C@H]([NH2+]C(C)(C)C)C1=O ZINC000563348073 323119823 /nfs/dbraw/zinc/11/98/23/323119823.db2.gz HGVBVNAKDHEOHH-VIFPVBQESA-N 1 3 241.335 0.064 20 0 BCADHO CN(C)CCN1C(=O)C[C@@H]([NH2+]C(C)(C)C)C1=O ZINC000563348072 323119878 /nfs/dbraw/zinc/11/98/78/323119878.db2.gz HGVBVNAKDHEOHH-SECBINFHSA-N 1 3 241.335 0.064 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000069732791 349954729 /nfs/dbraw/zinc/95/47/29/349954729.db2.gz GDBMRCFBXKCUJN-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CN(C)[C@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000563366815 323121502 /nfs/dbraw/zinc/12/15/02/323121502.db2.gz XTPRYLMJLUCMNN-AGIUHOORSA-N 1 3 241.379 0.077 20 0 BCADHO CN(C)[C@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000563366815 323121503 /nfs/dbraw/zinc/12/15/03/323121503.db2.gz XTPRYLMJLUCMNN-AGIUHOORSA-N 1 3 241.379 0.077 20 0 BCADHO C[C@H]1CC[N@H+](CCc2cncn2C)C[C@@H]1CN ZINC000641797960 362738558 /nfs/dbraw/zinc/73/85/58/362738558.db2.gz AXXRPFLJMCBUHV-RYUDHWBXSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@H]1CC[N@@H+](CCc2cncn2C)C[C@@H]1CN ZINC000641797960 362738562 /nfs/dbraw/zinc/73/85/62/362738562.db2.gz AXXRPFLJMCBUHV-RYUDHWBXSA-N 1 3 236.363 0.879 20 0 BCADHO Cn1cncc1CCN[C@@](C)(C[NH3+])C1CC1 ZINC000641797509 362742759 /nfs/dbraw/zinc/74/27/59/362742759.db2.gz DBMVXPCHKLMMCK-LBPRGKRZSA-N 1 3 222.336 0.680 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1cncn1C ZINC000641798165 362743028 /nfs/dbraw/zinc/74/30/28/362743028.db2.gz LWOKWSJFLIHHSB-WDEREUQCSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1cncn1C ZINC000641798164 362743100 /nfs/dbraw/zinc/74/31/00/362743100.db2.gz LWOKWSJFLIHHSB-QWRGUYRKSA-N 1 3 222.336 0.632 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186341907 346504771 /nfs/dbraw/zinc/50/47/71/346504771.db2.gz QIZAFWQDGNZVQH-ONGXEEELSA-N 1 3 225.336 0.396 20 0 BCADHO C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CNCCO2)[C@@H]1C ZINC000641809546 362766739 /nfs/dbraw/zinc/76/67/39/362766739.db2.gz RGHYMLKHZGVVMR-FDYHWXHSSA-N 1 3 241.379 0.423 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@](C)(O)CC1 ZINC000380157928 346582802 /nfs/dbraw/zinc/58/28/02/346582802.db2.gz KFYVXZHHJDJQBD-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@](C)(O)CC1 ZINC000380157928 346582806 /nfs/dbraw/zinc/58/28/06/346582806.db2.gz KFYVXZHHJDJQBD-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000580197452 346654193 /nfs/dbraw/zinc/65/41/93/346654193.db2.gz JNEMHPHRBIUUOK-KXUCPTDWSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)C[C@@H](C)[NH3+] ZINC000037825198 346710145 /nfs/dbraw/zinc/71/01/45/346710145.db2.gz PJKQKCLBNCWYOS-LLVKDONJSA-N 1 3 229.368 0.770 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H](C)[NH2+]C ZINC000580215752 346699643 /nfs/dbraw/zinc/69/96/43/346699643.db2.gz CFTNULTVXQAJBR-GXFFZTMASA-N 1 3 249.358 0.973 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000577176305 365859368 /nfs/dbraw/zinc/85/93/68/365859368.db2.gz QORMNSQQCKXPAQ-ZDUSSCGKSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000518766811 346792757 /nfs/dbraw/zinc/79/27/57/346792757.db2.gz URQKOGYUTMWHSP-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000378663275 346798471 /nfs/dbraw/zinc/79/84/71/346798471.db2.gz BAMSRKHHMIHYNE-GUBZILKMSA-N 1 3 213.325 0.215 20 0 BCADHO C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C[C@@H]1CO ZINC000622004684 370655165 /nfs/dbraw/zinc/65/51/65/370655165.db2.gz SKDOXFHEYDHGGQ-JHJVBQTASA-N 1 3 226.364 0.936 20 0 BCADHO C[C@H](CN1CCOCC1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000582063286 347157385 /nfs/dbraw/zinc/15/73/85/347157385.db2.gz WKTOBCSUMVWJBX-JHJVBQTASA-N 1 3 241.379 0.376 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582062087 347159167 /nfs/dbraw/zinc/15/91/67/347159167.db2.gz QBFLQEJOPMNKNT-HLTSFMKQSA-N 1 3 249.305 0.603 20 0 BCADHO Cn1cc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000087765871 362787130 /nfs/dbraw/zinc/78/71/30/362787130.db2.gz FJJYDYSPQGTDFV-VXGBXAGGSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1cc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cn1 ZINC000087765871 362787136 /nfs/dbraw/zinc/78/71/36/362787136.db2.gz FJJYDYSPQGTDFV-VXGBXAGGSA-N 1 3 222.336 0.822 20 0 BCADHO COC(=O)CCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601326452 347208796 /nfs/dbraw/zinc/20/87/96/347208796.db2.gz MYQHNMDAEKBCCJ-VHSXEESVSA-N 1 3 214.309 0.466 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CCC[NH3+] ZINC000019483202 347329407 /nfs/dbraw/zinc/32/94/07/347329407.db2.gz FKVGMHMWZNLATK-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000582120889 347391508 /nfs/dbraw/zinc/39/15/08/347391508.db2.gz XGMWBTQYPMJSCX-FIQHERPVSA-N 1 3 239.363 0.522 20 0 BCADHO C[C@@H](CNC(=O)CNC1CC1)[NH+]1CCCC1 ZINC000161086794 323146047 /nfs/dbraw/zinc/14/60/47/323146047.db2.gz VUTYRZXEJMNPKB-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000577222087 365889105 /nfs/dbraw/zinc/88/91/05/365889105.db2.gz DRHOVVLZKQJHAN-DOLQZWNJSA-N 1 3 213.325 0.165 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000390638395 259396418 /nfs/dbraw/zinc/39/64/18/259396418.db2.gz MHNNQBSOKFTUEP-QNSHHTMESA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571641038 323150553 /nfs/dbraw/zinc/15/05/53/323150553.db2.gz YUQUSJFBTRAZQR-UTLUCORTSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N(C)C ZINC000591429791 347655308 /nfs/dbraw/zinc/65/53/08/347655308.db2.gz LTRQCJQMWKRNFK-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591423095 347657556 /nfs/dbraw/zinc/65/75/56/347657556.db2.gz CRGSVPJXVNDYTD-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591423095 347657560 /nfs/dbraw/zinc/65/75/60/347657560.db2.gz CRGSVPJXVNDYTD-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591423105 347657837 /nfs/dbraw/zinc/65/78/37/347657837.db2.gz CRGSVPJXVNDYTD-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591423105 347657840 /nfs/dbraw/zinc/65/78/40/347657840.db2.gz CRGSVPJXVNDYTD-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333390280 537991852 /nfs/dbraw/zinc/99/18/52/537991852.db2.gz OSKFXMYUQHZAJA-MNOVXSKESA-N 1 3 239.363 0.490 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C1CC1 ZINC000591456798 347665124 /nfs/dbraw/zinc/66/51/24/347665124.db2.gz YGECWXNEVFFUGQ-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C1CC1 ZINC000591456798 347665126 /nfs/dbraw/zinc/66/51/26/347665126.db2.gz YGECWXNEVFFUGQ-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)N ZINC000041680095 347799148 /nfs/dbraw/zinc/79/91/48/347799148.db2.gz ULNXCUDPGFQXMN-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCCC[NH+](C)C ZINC000594920698 348155207 /nfs/dbraw/zinc/15/52/07/348155207.db2.gz HHGBHLGVLBTNMV-HBNTYKKESA-N 1 3 228.336 0.725 20 0 BCADHO C[C@H](CSCCF)NC[C@H](O)C[NH+](C)C ZINC000595020069 348171453 /nfs/dbraw/zinc/17/14/53/348171453.db2.gz SWUAGPKLDNXIBE-ZJUUUORDSA-N 1 3 238.372 0.590 20 0 BCADHO CC[C@@](C)(C[NH2+]CC1(O)CCN(C)CC1)OC ZINC000397552340 362893103 /nfs/dbraw/zinc/89/31/03/362893103.db2.gz YDTQFNBOZKFBJX-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939130 348409723 /nfs/dbraw/zinc/40/97/23/348409723.db2.gz FACYNVYJYNZCMH-NXEZZACHSA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595944492 348410996 /nfs/dbraw/zinc/41/09/96/348410996.db2.gz ZCIVOMDBTZVKJH-INWMGODYSA-N 1 3 243.376 0.017 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902602 348395349 /nfs/dbraw/zinc/39/53/49/348395349.db2.gz AMQQPYKSBQYVME-VXGBXAGGSA-N 1 3 235.331 0.196 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902602 348395352 /nfs/dbraw/zinc/39/53/52/348395352.db2.gz AMQQPYKSBQYVME-VXGBXAGGSA-N 1 3 235.331 0.196 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000603556941 349992635 /nfs/dbraw/zinc/99/26/35/349992635.db2.gz CCDVBVYUTAZETH-CYBMUJFWSA-N 1 3 249.358 0.769 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000603556941 349992639 /nfs/dbraw/zinc/99/26/39/349992639.db2.gz CCDVBVYUTAZETH-CYBMUJFWSA-N 1 3 249.358 0.769 20 0 BCADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)[C@H]1C ZINC000596649015 348605423 /nfs/dbraw/zinc/60/54/23/348605423.db2.gz XDIDNJGTCLNWHS-FIQHERPVSA-N 1 3 240.347 0.916 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCCCCC1 ZINC000054343498 349007175 /nfs/dbraw/zinc/00/71/75/349007175.db2.gz GWSAVCUXGLBVDN-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000251026602 349181944 /nfs/dbraw/zinc/18/19/44/349181944.db2.gz GFLRQQJNUKWSEM-FIQHERPVSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000251026602 349181947 /nfs/dbraw/zinc/18/19/47/349181947.db2.gz GFLRQQJNUKWSEM-FIQHERPVSA-N 1 3 212.337 0.972 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)NC)C1 ZINC000250340508 349169632 /nfs/dbraw/zinc/16/96/32/349169632.db2.gz PRYYJHYAMLSLIS-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)NC)C1 ZINC000250340508 349169634 /nfs/dbraw/zinc/16/96/34/349169634.db2.gz PRYYJHYAMLSLIS-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO CN1CCN(C)[C@H](CN[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000250400881 349170807 /nfs/dbraw/zinc/17/08/07/349170807.db2.gz SKLUKIFSVJSGGH-RWMBFGLXSA-N 1 3 240.395 0.092 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000252222771 349198868 /nfs/dbraw/zinc/19/88/68/349198868.db2.gz ZMOCDAXUAVMZRA-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000252222771 349198870 /nfs/dbraw/zinc/19/88/70/349198870.db2.gz ZMOCDAXUAVMZRA-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000252598877 349201131 /nfs/dbraw/zinc/20/11/31/349201131.db2.gz KGDFTQXJXFQISV-QJPTWQEYSA-N 1 3 239.363 0.442 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC000061645133 349375816 /nfs/dbraw/zinc/37/58/16/349375816.db2.gz UJUMXWZJUPNLRC-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000070619342 350029504 /nfs/dbraw/zinc/02/95/04/350029504.db2.gz CBSHRYJAPUDERY-LBPRGKRZSA-N 1 3 225.336 0.339 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCC[NH2+]C ZINC000309119915 350036695 /nfs/dbraw/zinc/03/66/95/350036695.db2.gz NEFOZAUPGVPKOQ-JTQLQIEISA-N 1 3 201.314 0.230 20 0 BCADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000218944458 350107997 /nfs/dbraw/zinc/10/79/97/350107997.db2.gz ARIPYODQBORHGL-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000422728511 192444571 /nfs/dbraw/zinc/44/45/71/192444571.db2.gz JESOFHNZHHQDMH-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO NC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCCCC1 ZINC000449608895 201986359 /nfs/dbraw/zinc/98/63/59/201986359.db2.gz LDWOJLJLWKCGKH-QMMMGPOBSA-N 1 3 249.305 0.747 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236721454 191060598 /nfs/dbraw/zinc/06/05/98/191060598.db2.gz GEMXMSIMORSQGY-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309258611 350243309 /nfs/dbraw/zinc/24/33/09/350243309.db2.gz HFMBSBZRWGMXDJ-VHSXEESVSA-N 1 3 213.325 0.086 20 0 BCADHO CCN(CCNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000130658803 490434938 /nfs/dbraw/zinc/43/49/38/490434938.db2.gz FXVPVOIDUAAKIA-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)CC[NH3+] ZINC000309101792 323317577 /nfs/dbraw/zinc/31/75/77/323317577.db2.gz GDMYIIRUHUAQBE-WCBMZHEXSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000309303514 350276219 /nfs/dbraw/zinc/27/62/19/350276219.db2.gz UUAOILRZBOSUNN-NXEZZACHSA-N 1 3 213.325 0.086 20 0 BCADHO CC[NH+]1CCC(NC(=O)CNC2CC2)CC1 ZINC000037978603 350297439 /nfs/dbraw/zinc/29/74/39/350297439.db2.gz HFHXPDQOXXQJII-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H](CNC(=O)[C@H](C)N)C[NH+]1CCCCC1 ZINC000038042250 350302469 /nfs/dbraw/zinc/30/24/69/350302469.db2.gz BPDNUWKNWMDMCA-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000309395565 350367551 /nfs/dbraw/zinc/36/75/51/350367551.db2.gz GNVWMHMPTFNPOZ-BBBLOLIVSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464953 350343661 /nfs/dbraw/zinc/34/36/61/350343661.db2.gz MJDKMTNFULFFGH-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CCC[NH+]1CCC(NC[C@@H](O)COCC)CC1 ZINC000069278104 350352125 /nfs/dbraw/zinc/35/21/25/350352125.db2.gz FKACAMMWYGGVFZ-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000580783379 350353783 /nfs/dbraw/zinc/35/37/83/350353783.db2.gz IKDWKPHRFLABGU-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945772 323330166 /nfs/dbraw/zinc/33/01/66/323330166.db2.gz NQPDUXFCDVNVBZ-ZYHUDNBSSA-N 1 3 239.363 0.490 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309412109 350372206 /nfs/dbraw/zinc/37/22/06/350372206.db2.gz IRCVHHXVKUNPPO-UWVGGRQHSA-N 1 3 213.325 0.311 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC[NH2+]C1CC1 ZINC000637340009 350465969 /nfs/dbraw/zinc/46/59/69/350465969.db2.gz NMPDGDKOMBCEHI-VHSXEESVSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C)CN1C1CC1 ZINC000346696404 365991999 /nfs/dbraw/zinc/99/19/99/365991999.db2.gz PGVYGTSNTFPTHN-NQBHXWOUSA-N 1 3 241.379 0.124 20 0 BCADHO CN1CC[C@@H]([NH2+][C@H]2CCNC2=O)CC1(C)C ZINC000623562035 362985959 /nfs/dbraw/zinc/98/59/59/362985959.db2.gz FOMPWXWTFANVHM-ZJUUUORDSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](CNC(=O)CC[NH2+]C1CC1)N1CCCC1 ZINC000161075653 351026141 /nfs/dbraw/zinc/02/61/41/351026141.db2.gz DCRVRAXUKCYFPE-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO COc1cccc([C@H]2CNCCN2CC[NH3+])c1 ZINC000616636954 351130366 /nfs/dbraw/zinc/13/03/66/351130366.db2.gz RLAGETFEBCQTGJ-CYBMUJFWSA-N 1 3 235.331 0.600 20 0 BCADHO [NH3+]CCN1CCNC[C@@H]1c1ccccc1F ZINC000616636923 351130610 /nfs/dbraw/zinc/13/06/10/351130610.db2.gz RFAFEOOMRUBJKI-GFCCVEGCSA-N 1 3 223.295 0.731 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCN(C)C1CC1 ZINC000626975734 363074287 /nfs/dbraw/zinc/07/42/87/363074287.db2.gz CMZZYCLIMSJWDU-GXSJLCMTSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000637801917 351633647 /nfs/dbraw/zinc/63/36/47/351633647.db2.gz JNHZMUZFCGCTTI-ZJUUUORDSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000637804478 351641183 /nfs/dbraw/zinc/64/11/83/351641183.db2.gz PKROVXRRBJBCNA-LBPRGKRZSA-N 1 3 241.379 0.947 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637805929 351642309 /nfs/dbraw/zinc/64/23/09/351642309.db2.gz RIMAYDVQINWVDF-SECBINFHSA-N 1 3 222.292 0.129 20 0 BCADHO C[C@@H]1CNCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000637817096 351659109 /nfs/dbraw/zinc/65/91/09/351659109.db2.gz POLABZDAGPITNX-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1CNCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000637817096 351659111 /nfs/dbraw/zinc/65/91/11/351659111.db2.gz POLABZDAGPITNX-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)NC(C)(C)C[NH3+])N(C)C ZINC000637828912 351677287 /nfs/dbraw/zinc/67/72/87/351677287.db2.gz ITQOOHKEEQEVQM-MRVPVSSYSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000637850748 351708004 /nfs/dbraw/zinc/70/80/04/351708004.db2.gz CAOWZOSJFCGXCJ-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000637836141 351687242 /nfs/dbraw/zinc/68/72/42/351687242.db2.gz SNZHTIPVEMPQMC-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](N)CCC(C)C)CC1 ZINC000637838024 351692875 /nfs/dbraw/zinc/69/28/75/351692875.db2.gz OVYYASSLNLXWDD-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000577708941 366041402 /nfs/dbraw/zinc/04/14/02/366041402.db2.gz KRZAVZZGXQIVCQ-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000577720082 366042121 /nfs/dbraw/zinc/04/21/21/366042121.db2.gz XVIIIANAQISBSX-CHWFTXMASA-N 1 3 227.352 0.556 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827896 351670604 /nfs/dbraw/zinc/67/06/04/351670604.db2.gz VRXMMCFBCWNLBL-VIFPVBQESA-N 1 3 222.292 0.129 20 0 BCADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000637857993 351718528 /nfs/dbraw/zinc/71/85/28/351718528.db2.gz WBSAOBOYBAZUHW-KPXOXKRLSA-N 1 3 249.314 0.761 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855851 351715460 /nfs/dbraw/zinc/71/54/60/351715460.db2.gz ZDLVQJSVXTZBOE-MNOVXSKESA-N 1 3 227.352 0.603 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023889 358466820 /nfs/dbraw/zinc/46/68/20/358466820.db2.gz BOLWRWIITSUELP-QJPTWQEYSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023889 358466816 /nfs/dbraw/zinc/46/68/16/358466816.db2.gz BOLWRWIITSUELP-QJPTWQEYSA-N 1 3 239.363 0.857 20 0 BCADHO CO[C@@]1(C[NH+]2CCC(N(C)C)CC2)CCOC1 ZINC000637928007 351803402 /nfs/dbraw/zinc/80/34/02/351803402.db2.gz SBECTMXDIVRIAM-CYBMUJFWSA-N 1 3 242.363 0.818 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000638070703 351942487 /nfs/dbraw/zinc/94/24/87/351942487.db2.gz VFGURGLCWAHFQP-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CO[C@@]1(CN2CC[C@H](C[NH+](C)C)C2)CCOC1 ZINC000638077082 351948860 /nfs/dbraw/zinc/94/88/60/351948860.db2.gz PDCCFHKLHOIDKJ-CHWSQXEVSA-N 1 3 242.363 0.675 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638076333 351949372 /nfs/dbraw/zinc/94/93/72/351949372.db2.gz KKWDNYZVQARALJ-QWRGUYRKSA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000638080231 351953829 /nfs/dbraw/zinc/95/38/29/351953829.db2.gz MYVHYGXIYQYAMO-IUCAKERBSA-N 1 3 201.314 0.051 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000638081129 351954570 /nfs/dbraw/zinc/95/45/70/351954570.db2.gz VBTPMQBDDYFRQJ-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)C[C@H](CNC(=O)C1(N)CC1)[NH+](C)C ZINC000083835359 351956804 /nfs/dbraw/zinc/95/68/04/351956804.db2.gz UKCMRHXLVNUDAE-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000638099160 351978527 /nfs/dbraw/zinc/97/85/27/351978527.db2.gz ACSAPZCAICMDAV-ONGXEEELSA-N 1 3 237.347 0.633 20 0 BCADHO C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000638099158 351978995 /nfs/dbraw/zinc/97/89/95/351978995.db2.gz ACSAPZCAICMDAV-KOLCDFICSA-N 1 3 237.347 0.633 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638097922 351979106 /nfs/dbraw/zinc/97/91/06/351979106.db2.gz XQMABIKMCLYDIK-NEPJUHHUSA-N 1 3 237.347 0.587 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638134475 352002483 /nfs/dbraw/zinc/00/24/83/352002483.db2.gz NODKZHRWUAEHRF-CDMKHQONSA-N 1 3 249.358 0.633 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638176100 352041889 /nfs/dbraw/zinc/04/18/89/352041889.db2.gz CCIFVONQJMGKIT-GRYCIOLGSA-N 1 3 241.379 0.864 20 0 BCADHO CO[C@](C)(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000638186364 352052657 /nfs/dbraw/zinc/05/26/57/352052657.db2.gz ROHWYWVASVZSBL-NQBHXWOUSA-N 1 3 224.348 0.953 20 0 BCADHO CC[C@H](C(=O)N1CCN[C@@H](C)[C@H]1C)[NH+](C)C ZINC000638205597 352067933 /nfs/dbraw/zinc/06/79/33/352067933.db2.gz IMDBGFYVUKRMFP-HBNTYKKESA-N 1 3 227.352 0.535 20 0 BCADHO CCN[C@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638206249 352067983 /nfs/dbraw/zinc/06/79/83/352067983.db2.gz KCSXCJCJDMYUHH-SECBINFHSA-N 1 3 213.325 0.243 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638205970 352068058 /nfs/dbraw/zinc/06/80/58/352068058.db2.gz KDUFMKQFIZBLSZ-IQJOONFLSA-N 1 3 223.320 0.243 20 0 BCADHO C[C@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000638209773 352072383 /nfs/dbraw/zinc/07/23/83/352072383.db2.gz CCPKLASABXBHOG-VIFPVBQESA-N 1 3 215.341 0.428 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000638153431 352017524 /nfs/dbraw/zinc/01/75/24/352017524.db2.gz VHNQHMIZWWSHED-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000638153182 352017688 /nfs/dbraw/zinc/01/76/88/352017688.db2.gz CRYZFAHRVXZKDY-NXEZZACHSA-N 1 3 215.341 0.603 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000638153188 352017709 /nfs/dbraw/zinc/01/77/09/352017709.db2.gz CRYZFAHRVXZKDY-ZJUUUORDSA-N 1 3 215.341 0.603 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000638156099 352018975 /nfs/dbraw/zinc/01/89/75/352018975.db2.gz GTFPNXGHQSDASN-KXUCPTDWSA-N 1 3 213.325 0.193 20 0 BCADHO CCN[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000638163015 352027207 /nfs/dbraw/zinc/02/72/07/352027207.db2.gz XNELXPKCACOSCG-SNVBAGLBSA-N 1 3 227.352 0.490 20 0 BCADHO CCN[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638166271 352030779 /nfs/dbraw/zinc/03/07/79/352030779.db2.gz WEMCDGWVGMDVOF-CMPLNLGQSA-N 1 3 227.352 0.490 20 0 BCADHO CN1CCCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638171364 352037873 /nfs/dbraw/zinc/03/78/73/352037873.db2.gz UOBSGJUWDDAJAE-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO COC[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638299183 352132998 /nfs/dbraw/zinc/13/29/98/352132998.db2.gz JULJLFMLEPLQMO-LLVKDONJSA-N 1 3 244.379 0.846 20 0 BCADHO COC[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638299184 352133253 /nfs/dbraw/zinc/13/32/53/352133253.db2.gz JULJLFMLEPLQMO-NSHDSACASA-N 1 3 244.379 0.846 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000638211172 352077115 /nfs/dbraw/zinc/07/71/15/352077115.db2.gz SCRKBYGAWHJZIW-IVZWLZJFSA-N 1 3 213.325 0.241 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235955 352087066 /nfs/dbraw/zinc/08/70/66/352087066.db2.gz SPBSVCACAGOGIE-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000638249527 352095090 /nfs/dbraw/zinc/09/50/90/352095090.db2.gz ZHACTPDLLQUPOQ-DCAQKATOSA-N 1 3 245.342 0.566 20 0 BCADHO CC[C@H](C(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000638254568 352097572 /nfs/dbraw/zinc/09/75/72/352097572.db2.gz CUEZVXAJYGYGGC-UDNWOFFPSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638254863 352097978 /nfs/dbraw/zinc/09/79/78/352097978.db2.gz IZLVKFGUONKNCE-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000638256534 352099306 /nfs/dbraw/zinc/09/93/06/352099306.db2.gz PZMSSSBKHUNLFQ-BBBLOLIVSA-N 1 3 215.341 0.602 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638257752 352101162 /nfs/dbraw/zinc/10/11/62/352101162.db2.gz WHYOJIFZPZKPAP-NKWVEPMBSA-N 1 3 210.281 0.113 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638257751 352101568 /nfs/dbraw/zinc/10/15/68/352101568.db2.gz WHYOJIFZPZKPAP-BQBZGAKWSA-N 1 3 210.281 0.113 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638270684 352107358 /nfs/dbraw/zinc/10/73/58/352107358.db2.gz LETCSQYXGDQASL-SNVBAGLBSA-N 1 3 236.319 0.517 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CCC1C[NH2+]C1 ZINC000638276163 352113197 /nfs/dbraw/zinc/11/31/97/352113197.db2.gz QWQFYRGXGAFMCL-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N2CCN3CCC2CC3)C1 ZINC000638279100 352115211 /nfs/dbraw/zinc/11/52/11/352115211.db2.gz JTHBNORNWWWYGK-LLVKDONJSA-N 1 3 235.331 0.341 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000638369953 352180122 /nfs/dbraw/zinc/18/01/22/352180122.db2.gz JQQIXTDIBNUFDU-VWYCJHECSA-N 1 3 229.368 0.992 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638368970 352181065 /nfs/dbraw/zinc/18/10/65/352181065.db2.gz CPBBZMMBACLOMR-JGVFFNPUSA-N 1 3 224.308 0.503 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000638312239 352138192 /nfs/dbraw/zinc/13/81/92/352138192.db2.gz FCRDSNJQNUMJJV-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C)N(C)C ZINC000638429786 352238064 /nfs/dbraw/zinc/23/80/64/352238064.db2.gz AEGZERPQHNKAOH-RKDXNWHRSA-N 1 3 201.314 0.051 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)CCC(C)C ZINC000638433085 352242347 /nfs/dbraw/zinc/24/23/47/352242347.db2.gz VZPXFQYZMODCPQ-NXEZZACHSA-N 1 3 215.341 0.474 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000638395603 352202816 /nfs/dbraw/zinc/20/28/16/352202816.db2.gz CQYLNZBHVTUJEE-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000638399537 352204570 /nfs/dbraw/zinc/20/45/70/352204570.db2.gz ITFKJRIRYUYEON-QJPTWQEYSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)C[C@H](C)[NH3+] ZINC000638419101 352228108 /nfs/dbraw/zinc/22/81/08/352228108.db2.gz FTJGAFUNIKWFSD-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)N(C)C ZINC000627052373 363171775 /nfs/dbraw/zinc/17/17/75/363171775.db2.gz PTPDIZSIYHBVHC-GARJFASQSA-N 1 3 242.367 0.376 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)CN(C)C ZINC000627035992 363140932 /nfs/dbraw/zinc/14/09/32/363140932.db2.gz OZNUJORQXIHNSB-GARJFASQSA-N 1 3 242.367 0.376 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638497217 352315904 /nfs/dbraw/zinc/31/59/04/352315904.db2.gz DVMVLQOTEXSNFM-VHSXEESVSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497803 352317650 /nfs/dbraw/zinc/31/76/50/352317650.db2.gz HVJCESJEQRVWGV-WDEREUQCSA-N 1 3 239.363 0.761 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498174 352318438 /nfs/dbraw/zinc/31/84/38/352318438.db2.gz JZCVDBBAELLBSK-QMMMGPOBSA-N 1 3 211.309 0.125 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCN1 ZINC000638498155 352318590 /nfs/dbraw/zinc/31/85/90/352318590.db2.gz JXRZOPZMHBRWPL-QWRGUYRKSA-N 1 3 237.347 0.529 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638508051 352329998 /nfs/dbraw/zinc/32/99/98/352329998.db2.gz MKDFSQICXZFTGB-JTQLQIEISA-N 1 3 225.336 0.385 20 0 BCADHO CCN(CC[NH3+])C(=O)C[C@@H](N)c1ccccc1 ZINC000638517640 352348062 /nfs/dbraw/zinc/34/80/62/352348062.db2.gz YBNHTNNUTBBDEW-GFCCVEGCSA-N 1 3 235.331 0.884 20 0 BCADHO CC[C@@H](C(=O)N(C)CCOCC[NH2+]C)N(C)C ZINC000638593347 352424052 /nfs/dbraw/zinc/42/40/52/352424052.db2.gz ADKADLAPENCNEB-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000638574019 352403952 /nfs/dbraw/zinc/40/39/52/352403952.db2.gz MMHSYDYQDNKPLZ-AXFHLTTASA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643555 352486203 /nfs/dbraw/zinc/48/62/03/352486203.db2.gz LSURCFHPPUJRCL-OPRDCNLKSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643554 352486357 /nfs/dbraw/zinc/48/63/57/352486357.db2.gz LSURCFHPPUJRCL-LPEHRKFASA-N 1 3 213.325 0.226 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCc2cnccn2)C1 ZINC000390090829 352487048 /nfs/dbraw/zinc/48/70/48/352487048.db2.gz BRDBPSVJWPWRFF-QWRGUYRKSA-N 1 3 220.320 0.879 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2NCC2(C)C)C[NH2+]1 ZINC000638645689 352489847 /nfs/dbraw/zinc/48/98/47/352489847.db2.gz WRFOUWOVCVSEJZ-BBBLOLIVSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638667793 352510445 /nfs/dbraw/zinc/51/04/45/352510445.db2.gz DIPGYOVDUMZQBK-SECBINFHSA-N 1 3 249.314 0.844 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)CCOCC[NH3+])N(C)C ZINC000638674956 352514902 /nfs/dbraw/zinc/51/49/02/352514902.db2.gz OAIFGXAAJUKFLW-NSHDSACASA-N 1 3 245.367 0.006 20 0 BCADHO CN1CCC(O)(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638682088 352519532 /nfs/dbraw/zinc/51/95/32/352519532.db2.gz QBQODTFUGKQTCO-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@@H]2CCCCN2)CC1 ZINC000044526621 352654710 /nfs/dbraw/zinc/65/47/10/352654710.db2.gz QBZDOKCLXYSURH-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1NCCCC1(C)C ZINC000638766448 352702788 /nfs/dbraw/zinc/70/27/88/352702788.db2.gz XMWRKQNMGQMHSC-HBNTYKKESA-N 1 3 239.363 0.631 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638768015 352708823 /nfs/dbraw/zinc/70/88/23/352708823.db2.gz PMDCKIQZEKEOAY-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000638768179 352708848 /nfs/dbraw/zinc/70/88/48/352708848.db2.gz RQLWBNAYOLPIKK-TVQRCGJNSA-N 1 3 245.326 0.770 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000638773155 352714205 /nfs/dbraw/zinc/71/42/05/352714205.db2.gz HWKQYTJXNKCWPO-DJLDLDEBSA-N 1 3 213.325 0.226 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000638772531 352714851 /nfs/dbraw/zinc/71/48/51/352714851.db2.gz CHAZHGUMDPSDFO-IVZWLZJFSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@H]1NCCN(C(=O)C2CC[NH2+]CC2)[C@@H]1C ZINC000334212381 352810023 /nfs/dbraw/zinc/81/00/23/352810023.db2.gz RKZXPTDTDQBUGE-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627068486 363200327 /nfs/dbraw/zinc/20/03/27/363200327.db2.gz KLBZSTWHDPKQPC-NSHDSACASA-N 1 3 240.351 0.132 20 0 BCADHO c1ccc(CCN2CC[C@@H](NC3C[NH2+]C3)C2)cc1 ZINC000583493840 353028938 /nfs/dbraw/zinc/02/89/38/353028938.db2.gz CAACKNRMLYSLLW-CQSZACIVSA-N 1 3 245.370 0.865 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818722 352998991 /nfs/dbraw/zinc/99/89/91/352998991.db2.gz FHQMRCMRPNSSIT-DTWKUNHWSA-N 1 3 249.305 0.699 20 0 BCADHO [NH3+][C@H]1CCCCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000638823018 353004156 /nfs/dbraw/zinc/00/41/56/353004156.db2.gz OGALVBWIIKQNNF-NWDGAFQWSA-N 1 3 239.363 0.858 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638908953 353065500 /nfs/dbraw/zinc/06/55/00/353065500.db2.gz AALOQDMNTFQIOO-AVGNSLFASA-N 1 3 245.326 0.129 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638908957 353065888 /nfs/dbraw/zinc/06/58/88/353065888.db2.gz AALOQDMNTFQIOO-RWMBFGLXSA-N 1 3 245.326 0.129 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638924742 353085582 /nfs/dbraw/zinc/08/55/82/353085582.db2.gz DXYSQHMXGYTOSC-PHIMTYICSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCC(C)CC1 ZINC000638930940 353091984 /nfs/dbraw/zinc/09/19/84/353091984.db2.gz ISMCOZXTWFBMMP-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638935601 353099359 /nfs/dbraw/zinc/09/93/59/353099359.db2.gz OAHHKTSIXLCPQK-UWVGGRQHSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937044 353100648 /nfs/dbraw/zinc/10/06/48/353100648.db2.gz DWMHTJOZKOHLPX-WISYIIOYSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460147 188050272 /nfs/dbraw/zinc/05/02/72/188050272.db2.gz BNWBCLOOZVWAIW-TUAOUCFPSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460147 188050274 /nfs/dbraw/zinc/05/02/74/188050274.db2.gz BNWBCLOOZVWAIW-TUAOUCFPSA-N 1 3 239.363 0.665 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950655 353153808 /nfs/dbraw/zinc/15/38/08/353153808.db2.gz LGJSOPUIJRKOOO-GMTAPVOTSA-N 1 3 227.352 0.618 20 0 BCADHO CCC1([NH+](C)C)CCN(C(=O)[C@H](C)N)CC1 ZINC000638974993 353180602 /nfs/dbraw/zinc/18/06/02/353180602.db2.gz GCOLKTYNORUWIY-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000261574578 535208210 /nfs/dbraw/zinc/20/82/10/535208210.db2.gz JILBOESVBQFCOV-OPRDCNLKSA-N 1 3 213.325 0.084 20 0 BCADHO CN[C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638997094 353243185 /nfs/dbraw/zinc/24/31/85/353243185.db2.gz FMPYJYFTVXETFE-VIFPVBQESA-N 1 3 213.325 0.372 20 0 BCADHO [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)CC1 ZINC000639023299 353282712 /nfs/dbraw/zinc/28/27/12/353282712.db2.gz WKJVHFVOADFGPE-DCAQKATOSA-N 1 3 225.336 0.515 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000537213878 324041104 /nfs/dbraw/zinc/04/11/04/324041104.db2.gz YNHDVOHOGGLSSB-LBPRGKRZSA-N 1 3 243.395 0.983 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000353448431 188234176 /nfs/dbraw/zinc/23/41/76/188234176.db2.gz MMHVKVJEOWMQER-UTUOFQBUSA-N 1 3 241.379 0.687 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639026130 353285665 /nfs/dbraw/zinc/28/56/65/353285665.db2.gz XSZIJIUNLAFHQC-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]CCOCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000357105922 188239544 /nfs/dbraw/zinc/23/95/44/188239544.db2.gz OSFTYMZQWLLFEA-GFCCVEGCSA-N 1 3 238.335 0.912 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)CCN1C ZINC000251728200 353287787 /nfs/dbraw/zinc/28/77/87/353287787.db2.gz CGQGCZVXCRJMTL-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639021902 353279923 /nfs/dbraw/zinc/27/99/23/353279923.db2.gz OIHVYZAFFDUIJS-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000377000702 188283267 /nfs/dbraw/zinc/28/32/67/188283267.db2.gz YMWJYKWQLNLLLK-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000377000706 188283291 /nfs/dbraw/zinc/28/32/91/188283291.db2.gz YMWJYKWQLNLLLK-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO NC(C(=O)N[C@H]1CC[C@H]([NH3+])CC1)C(F)(F)F ZINC000639031743 353300471 /nfs/dbraw/zinc/30/04/71/353300471.db2.gz VOMRZAOQSAMHIR-FSDSQADBSA-N 1 3 239.241 0.262 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031853 353301476 /nfs/dbraw/zinc/30/14/76/353301476.db2.gz XQSUURYYQIHRAG-OPRDCNLKSA-N 1 3 225.336 0.371 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639042388 353324232 /nfs/dbraw/zinc/32/42/32/353324232.db2.gz NFZLBKUDNHSJBR-XYPYZODXSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131862078 188317877 /nfs/dbraw/zinc/31/78/77/188317877.db2.gz XVXNZRRLRBIHKC-AEJSXWLSSA-N 1 3 213.325 0.179 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000044538868 188326280 /nfs/dbraw/zinc/32/62/80/188326280.db2.gz DUCWTLAITZXQCO-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000044538868 188326282 /nfs/dbraw/zinc/32/62/82/188326282.db2.gz DUCWTLAITZXQCO-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@H](CNC[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049615 353344032 /nfs/dbraw/zinc/34/40/32/353344032.db2.gz WCDDDVFOMUHJMF-VXGBXAGGSA-N 1 3 230.352 0.458 20 0 BCADHO CCC[C@H](CNC[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049615 353344034 /nfs/dbraw/zinc/34/40/34/353344034.db2.gz WCDDDVFOMUHJMF-VXGBXAGGSA-N 1 3 230.352 0.458 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639072852 353390166 /nfs/dbraw/zinc/39/01/66/353390166.db2.gz ZZBJBBLIHCMTTR-NXEZZACHSA-N 1 3 233.315 0.813 20 0 BCADHO CC(C)N(C)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343290250 353370170 /nfs/dbraw/zinc/37/01/70/353370170.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 1 3 239.363 0.705 20 0 BCADHO CC(C)N(C)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343290250 353370172 /nfs/dbraw/zinc/37/01/72/353370172.db2.gz MRXAUCLRUMZZCE-UHFFFAOYSA-N 1 3 239.363 0.705 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364055 188343819 /nfs/dbraw/zinc/34/38/19/188343819.db2.gz AZTRFRLKLYITQQ-GFCCVEGCSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)C(C)(C)N ZINC000054133381 188353177 /nfs/dbraw/zinc/35/31/77/188353177.db2.gz FIZQINALALUJSQ-UHFFFAOYSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)C(C)(C)N ZINC000054133381 188353178 /nfs/dbraw/zinc/35/31/78/188353178.db2.gz FIZQINALALUJSQ-UHFFFAOYSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165605930 353405692 /nfs/dbraw/zinc/40/56/92/353405692.db2.gz FNCZECHNNCEUPC-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC1(C)SC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000393825886 353455556 /nfs/dbraw/zinc/45/55/56/353455556.db2.gz GORFEOAETCZZSO-MNOVXSKESA-N 1 3 244.404 0.927 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CCSCC1 ZINC000230934319 353548621 /nfs/dbraw/zinc/54/86/21/353548621.db2.gz QZTGFISMGVWPQC-VXGBXAGGSA-N 1 3 243.420 0.752 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000230934319 353548625 /nfs/dbraw/zinc/54/86/25/353548625.db2.gz QZTGFISMGVWPQC-VXGBXAGGSA-N 1 3 243.420 0.752 20 0 BCADHO C[C@@H](C(=O)N(C)C[C@@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000192098269 353542026 /nfs/dbraw/zinc/54/20/26/353542026.db2.gz UFTBTDXPTRRSOQ-GRYCIOLGSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)CCC[NH3+] ZINC000037825180 358479235 /nfs/dbraw/zinc/47/92/35/358479235.db2.gz SDKMWWHFNRTFBS-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000193300681 353589992 /nfs/dbraw/zinc/58/99/92/353589992.db2.gz JZAVKZAMWUQQRZ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000627096888 363257218 /nfs/dbraw/zinc/25/72/18/363257218.db2.gz FOCFDDOHPOSSAH-KXUCPTDWSA-N 1 3 228.340 0.116 20 0 BCADHO CCC[NH+](CCC)CCCNC(=O)CN ZINC000165834752 353739131 /nfs/dbraw/zinc/73/91/31/353739131.db2.gz NKAPOTYWPVEDPT-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO CCCN(C)CC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343355862 353859701 /nfs/dbraw/zinc/85/97/01/353859701.db2.gz ZKGCHOCDKPSQMF-UHFFFAOYSA-N 1 3 239.363 0.706 20 0 BCADHO CCCN(C)CC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343355862 353859707 /nfs/dbraw/zinc/85/97/07/353859707.db2.gz ZKGCHOCDKPSQMF-UHFFFAOYSA-N 1 3 239.363 0.706 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000178410611 366121819 /nfs/dbraw/zinc/12/18/19/366121819.db2.gz JBSAJLANATWPBQ-GFCCVEGCSA-N 1 3 235.331 0.455 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)CN1 ZINC000343447005 353891046 /nfs/dbraw/zinc/89/10/46/353891046.db2.gz YVRKKQFSIVXJAJ-WRWGMCAJSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343591464 353941759 /nfs/dbraw/zinc/94/17/59/353941759.db2.gz JONJNPLTGVWDFN-HTAVTVPLSA-N 1 3 241.379 0.851 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343591466 353941887 /nfs/dbraw/zinc/94/18/87/353941887.db2.gz JONJNPLTGVWDFN-MCIGGMRASA-N 1 3 241.379 0.851 20 0 BCADHO CO[C@H]1CN(CCOCC[NH3+])CC[C@@H]1C ZINC000230312145 363304234 /nfs/dbraw/zinc/30/42/34/363304234.db2.gz CQEFDPHIXYKQNH-QWRGUYRKSA-N 1 3 216.325 0.319 20 0 BCADHO [NH3+]C1(C(=O)N[C@H]2CNCCC2(F)F)CCCC1 ZINC000334579939 354128008 /nfs/dbraw/zinc/12/80/08/354128008.db2.gz JQELAWGXASRDJS-QMMMGPOBSA-N 1 3 247.289 0.371 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000334571507 354100027 /nfs/dbraw/zinc/10/00/27/354100027.db2.gz RPGYPQZQDMYSTG-MNOVXSKESA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449680982 202000931 /nfs/dbraw/zinc/00/09/31/202000931.db2.gz DECQNTACBFYJRK-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO CCCN(C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449682117 202003070 /nfs/dbraw/zinc/00/30/70/202003070.db2.gz KUMJFHNIGZVOAF-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449707585 202006824 /nfs/dbraw/zinc/00/68/24/202006824.db2.gz RTMWQSHGIZWVDL-NSHDSACASA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449724785 202008012 /nfs/dbraw/zinc/00/80/12/202008012.db2.gz NHEWCVKJTUPBSF-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N(C)C ZINC000449723775 202009183 /nfs/dbraw/zinc/00/91/83/202009183.db2.gz MEJWKWBDAFGUBC-UTUOFQBUSA-N 1 3 241.379 0.816 20 0 BCADHO CN(C)CCOCC[NH2+]C1CCOCC1 ZINC000231676678 363347738 /nfs/dbraw/zinc/34/77/38/363347738.db2.gz JMTQIFWTIMVZKR-UHFFFAOYSA-N 1 3 216.325 0.333 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000334583863 354205413 /nfs/dbraw/zinc/20/54/13/354205413.db2.gz SOEMOJRDHJFJNP-IUCAKERBSA-N 1 3 247.289 0.242 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000167532720 134004468 /nfs/dbraw/zinc/00/44/68/134004468.db2.gz AOQZKPSHHJVBRD-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000167532720 134004469 /nfs/dbraw/zinc/00/44/69/134004469.db2.gz AOQZKPSHHJVBRD-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750353 202020034 /nfs/dbraw/zinc/02/00/34/202020034.db2.gz IRYVKFHOODGZJC-SCZZXKLOSA-N 1 3 225.336 0.384 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2CC[NH2+]CC2)[C@@H]1C ZINC000334662476 354462166 /nfs/dbraw/zinc/46/21/66/354462166.db2.gz DQDFFUVZTHZQOH-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346141776 354870960 /nfs/dbraw/zinc/87/09/60/354870960.db2.gz RJYATBBAACWZIA-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@@H]1CN(CC(C)(C)O)CC[C@@H]1[NH3+] ZINC000147429059 491070267 /nfs/dbraw/zinc/07/02/67/491070267.db2.gz LFIGQKAEVHRCRO-ZJUUUORDSA-N 1 3 200.326 0.817 20 0 BCADHO NC1(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000335185758 355084233 /nfs/dbraw/zinc/08/42/33/355084233.db2.gz WWCJHQJUYUSSDV-LLVKDONJSA-N 1 3 237.347 0.326 20 0 BCADHO C[C@H]([NH3+])CN1CCC(C)(N2CCOCC2)CC1 ZINC000530232797 324549583 /nfs/dbraw/zinc/54/95/83/324549583.db2.gz SNBIKXSCIJXEAK-LBPRGKRZSA-N 1 3 241.379 0.520 20 0 BCADHO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346850246 355138206 /nfs/dbraw/zinc/13/82/06/355138206.db2.gz PUJYHNBPWYFGTG-RYUDHWBXSA-N 1 3 239.363 0.716 20 0 BCADHO NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000346850246 355138208 /nfs/dbraw/zinc/13/82/08/355138208.db2.gz PUJYHNBPWYFGTG-RYUDHWBXSA-N 1 3 239.363 0.716 20 0 BCADHO NC(=[NH2+])NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000356051198 181191552 /nfs/dbraw/zinc/19/15/52/181191552.db2.gz KCOGINFUVUYWJK-CYBMUJFWSA-N 1 3 248.330 0.106 20 0 BCADHO C[C@@H]1C[C@@H](CN2CC[C@@](F)(CO)C2)CC[NH2+]1 ZINC000414761589 191563007 /nfs/dbraw/zinc/56/30/07/191563007.db2.gz JNRLDTYUOGSXOG-WOPDTQHZSA-N 1 3 230.327 0.781 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335820994 355539383 /nfs/dbraw/zinc/53/93/83/355539383.db2.gz HNRNNKKJZFBCPB-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)CC[NH3+])N(CC)CC ZINC000349967552 355546916 /nfs/dbraw/zinc/54/69/16/355546916.db2.gz UGJKGCJQWUQUDY-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN)C[C@@H]1C ZINC000335840527 355584221 /nfs/dbraw/zinc/58/42/21/355584221.db2.gz NOUYRNHHXIAQIU-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CN)C[C@@H]1C ZINC000335840527 355584224 /nfs/dbraw/zinc/58/42/24/355584224.db2.gz NOUYRNHHXIAQIU-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000349984340 355569886 /nfs/dbraw/zinc/56/98/86/355569886.db2.gz DCOUWQNABKRDJC-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO O[C@H](CN[C@@H]1CCSC1)C[NH+]1CCCC1 ZINC000166813845 355851134 /nfs/dbraw/zinc/85/11/34/355851134.db2.gz UXLPJMGKDSMZBV-GHMZBOCLSA-N 1 3 230.377 0.538 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167379152 355986990 /nfs/dbraw/zinc/98/69/90/355986990.db2.gz QSQIIHPWWANTLC-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C ZINC000418257949 192005130 /nfs/dbraw/zinc/00/51/30/192005130.db2.gz NCZJCOMPDMUXGG-UWVGGRQHSA-N 1 3 230.356 0.219 20 0 BCADHO CCC[NH2+]CCNC(=O)NC[C@H](C)N(C)C ZINC000418256306 192005863 /nfs/dbraw/zinc/00/58/63/192005863.db2.gz MJDVNFGZTMUEMW-JTQLQIEISA-N 1 3 230.356 0.235 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000418257285 192005948 /nfs/dbraw/zinc/00/59/48/192005948.db2.gz MVXGLJISWMJPCE-QWRGUYRKSA-N 1 3 244.383 0.753 20 0 BCADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)N(C)C ZINC000418259728 192006269 /nfs/dbraw/zinc/00/62/69/192006269.db2.gz ONTUXKCMDVTORP-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000418248941 192006290 /nfs/dbraw/zinc/00/62/90/192006290.db2.gz FTBLCTMRUJAJCQ-WDEREUQCSA-N 1 3 244.383 0.609 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)[NH+](C)C ZINC000418248982 192006429 /nfs/dbraw/zinc/00/64/29/192006429.db2.gz FWDXHKAQXBUNSA-OUAUKWLOSA-N 1 3 242.367 0.328 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000418250529 192007538 /nfs/dbraw/zinc/00/75/38/192007538.db2.gz HEUYZFDSWCDIII-GARJFASQSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000418250528 192007681 /nfs/dbraw/zinc/00/76/81/192007681.db2.gz HEUYZFDSWCDIII-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO [NH3+]CCNC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418297233 192019849 /nfs/dbraw/zinc/01/98/49/192019849.db2.gz NIPGSMFEKHDTHW-LBPRGKRZSA-N 1 3 248.330 0.131 20 0 BCADHO CN(C)CCN(C(=O)NCC[NH3+])C1CCCC1 ZINC000418305870 192021549 /nfs/dbraw/zinc/02/15/49/192021549.db2.gz PKYVPGPRINEEKN-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CCCN(CCN1CCCC1)C(=O)NCC[NH3+] ZINC000418293429 192018031 /nfs/dbraw/zinc/01/80/31/192018031.db2.gz FQZUMIMZHPLCBQ-UHFFFAOYSA-N 1 3 242.367 0.463 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420320689 192195918 /nfs/dbraw/zinc/19/59/18/192195918.db2.gz UMIDFQKTANSIGI-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000333495710 356294911 /nfs/dbraw/zinc/29/49/11/356294911.db2.gz CUNXPRJMOAYIPS-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000333495707 356294916 /nfs/dbraw/zinc/29/49/16/356294916.db2.gz CUNXPRJMOAYIPS-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CN(C(=O)N[C@@H]2CCC[NH2+]C2)CCN1 ZINC000333742107 356304491 /nfs/dbraw/zinc/30/44/91/356304491.db2.gz XSKKZBZWLHNBBE-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO CCN(C)C(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000420282978 192200437 /nfs/dbraw/zinc/20/04/37/192200437.db2.gz BNGNCYNVWZYLSD-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CCN(C)C(=O)CC[N@H+](C)CC(C)(C)CN ZINC000420282978 192200439 /nfs/dbraw/zinc/20/04/39/192200439.db2.gz BNGNCYNVWZYLSD-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CCN(C)C(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000420282978 192200442 /nfs/dbraw/zinc/20/04/42/192200442.db2.gz BNGNCYNVWZYLSD-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CCOC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000420291932 192202749 /nfs/dbraw/zinc/20/27/49/192202749.db2.gz OPFFSRDJMUQDAM-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO COC[C@@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420295270 192203301 /nfs/dbraw/zinc/20/33/01/192203301.db2.gz CCGJIAPFDYQIIW-STQMWFEESA-N 1 3 242.363 0.723 20 0 BCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1(N)CC1 ZINC000336426025 356368121 /nfs/dbraw/zinc/36/81/21/356368121.db2.gz OGYKQVOEMZNVGA-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000420309694 192211093 /nfs/dbraw/zinc/21/10/93/192211093.db2.gz FBOOAVCIVIXEDD-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000420309694 192211095 /nfs/dbraw/zinc/21/10/95/192211095.db2.gz FBOOAVCIVIXEDD-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000420309694 192211098 /nfs/dbraw/zinc/21/10/98/192211098.db2.gz FBOOAVCIVIXEDD-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO COC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420368280 192225720 /nfs/dbraw/zinc/22/57/20/192225720.db2.gz HYFUISVWYGQKOI-XQQFMLRXSA-N 1 3 242.363 0.722 20 0 BCADHO CCN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000336471196 356376878 /nfs/dbraw/zinc/37/68/78/356376878.db2.gz BJPKRSCBUSKXIF-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000336471196 356376882 /nfs/dbraw/zinc/37/68/82/356376882.db2.gz BJPKRSCBUSKXIF-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO C[C@@H]1CN(CC[N@H+](C)[C@@H](CN)C2CC2)CCO1 ZINC000420323020 192227791 /nfs/dbraw/zinc/22/77/91/192227791.db2.gz XNNDPLUCLDFREE-YPMHNXCESA-N 1 3 241.379 0.376 20 0 BCADHO C[C@@H]1CN(CC[N@@H+](C)[C@@H](CN)C2CC2)CCO1 ZINC000420323020 192227793 /nfs/dbraw/zinc/22/77/93/192227793.db2.gz XNNDPLUCLDFREE-YPMHNXCESA-N 1 3 241.379 0.376 20 0 BCADHO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](C)N ZINC000420363674 192223392 /nfs/dbraw/zinc/22/33/92/192223392.db2.gz PTPUQRDOOWBGRS-DTWKUNHWSA-N 1 3 200.282 0.361 20 0 BCADHO COC(=O)C[C@H]1CCC[N@H+]1C[C@H](C)N ZINC000420363674 192223395 /nfs/dbraw/zinc/22/33/95/192223395.db2.gz PTPUQRDOOWBGRS-DTWKUNHWSA-N 1 3 200.282 0.361 20 0 BCADHO COC(=O)CCCN[C@@H](C[NH3+])C(C)(C)C ZINC000420368109 192225351 /nfs/dbraw/zinc/22/53/51/192225351.db2.gz TZSSSWYERZLQEA-VIFPVBQESA-N 1 3 216.325 0.903 20 0 BCADHO CC(C)C(=O)NCCN(C)CC[C@H]1CC[NH2+]C1 ZINC000420367577 192225487 /nfs/dbraw/zinc/22/54/87/192225487.db2.gz HBYVDNZZBWSKJT-GFCCVEGCSA-N 1 3 241.379 0.690 20 0 BCADHO COC[C@@H]1CN(CC[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000420368277 192225671 /nfs/dbraw/zinc/22/56/71/192225671.db2.gz HYFUISVWYGQKOI-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO CCC(CC)(CNC[C@H](C)[NH3+])C(=O)OC ZINC000420381569 192235334 /nfs/dbraw/zinc/23/53/34/192235334.db2.gz XZMFOFLJWSHOJO-VIFPVBQESA-N 1 3 216.325 0.903 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420419823 192240369 /nfs/dbraw/zinc/24/03/69/192240369.db2.gz XUOIFFHXSALCEW-NWDGAFQWSA-N 1 3 241.379 0.772 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420419824 192240862 /nfs/dbraw/zinc/24/08/62/192240862.db2.gz XUOIFFHXSALCEW-RYUDHWBXSA-N 1 3 241.379 0.772 20 0 BCADHO CCN1CCCN(CC[C@H]2CC[NH2+]C2)CC1=O ZINC000420380868 192233118 /nfs/dbraw/zinc/23/31/18/192233118.db2.gz WYBMOSYAYHHDQW-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H]1CCCCN1 ZINC000019409111 356482769 /nfs/dbraw/zinc/48/27/69/356482769.db2.gz NJOWXDVSRBOVSK-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCN(CC)CCC[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000420968347 192284395 /nfs/dbraw/zinc/28/43/95/192284395.db2.gz BPKSLYAABSPQJI-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CCC[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000420968347 192284398 /nfs/dbraw/zinc/28/43/98/192284398.db2.gz BPKSLYAABSPQJI-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578130483 366291508 /nfs/dbraw/zinc/29/15/08/366291508.db2.gz MVFTVTHGMVRHNQ-GARJFASQSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000578130485 366291551 /nfs/dbraw/zinc/29/15/51/366291551.db2.gz MVFTVTHGMVRHNQ-HBNTYKKESA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C ZINC000261806441 535324012 /nfs/dbraw/zinc/32/40/12/535324012.db2.gz MFZBVDHPIVWYML-GRYCIOLGSA-N 1 3 241.379 0.768 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582248204 356679468 /nfs/dbraw/zinc/67/94/68/356679468.db2.gz OYOJCKPYTWWGAL-MNOVXSKESA-N 1 3 240.351 0.117 20 0 BCADHO COCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762107 356686180 /nfs/dbraw/zinc/68/61/80/356686180.db2.gz GFIDNGOECLOIDW-GFCCVEGCSA-N 1 3 230.352 0.411 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000035663362 356705151 /nfs/dbraw/zinc/70/51/51/356705151.db2.gz LUAWBCJOSIIFID-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335624 356721980 /nfs/dbraw/zinc/72/19/80/356721980.db2.gz WCSXWLPRYVEPJA-NXEZZACHSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335624 356721981 /nfs/dbraw/zinc/72/19/81/356721981.db2.gz WCSXWLPRYVEPJA-NXEZZACHSA-N 1 3 200.326 0.830 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000357245507 356820683 /nfs/dbraw/zinc/82/06/83/356820683.db2.gz VDFVQQYQTLQBDF-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCN(CCO)[C@@H](C)CC[N@H+](CC)CCO ZINC000155753164 538730638 /nfs/dbraw/zinc/73/06/38/538730638.db2.gz CJMXCRFMRCNAHF-LBPRGKRZSA-N 1 3 232.368 0.393 20 0 BCADHO CCN(CCO)[C@@H](C)CC[N@@H+](CC)CCO ZINC000155753164 538730641 /nfs/dbraw/zinc/73/06/41/538730641.db2.gz CJMXCRFMRCNAHF-LBPRGKRZSA-N 1 3 232.368 0.393 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679603 358512840 /nfs/dbraw/zinc/51/28/40/358512840.db2.gz JGQOTDUYIBQJHT-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360815666 356911949 /nfs/dbraw/zinc/91/19/49/356911949.db2.gz DSKRARZLMGAGKN-DGCLKSJQSA-N 1 3 239.363 0.716 20 0 BCADHO CSCC[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679597 358512982 /nfs/dbraw/zinc/51/29/82/358512982.db2.gz JVOOZVDVLILLDH-JTQLQIEISA-N 1 3 247.408 0.525 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000582300347 357036409 /nfs/dbraw/zinc/03/64/09/357036409.db2.gz YCIPPMJNKXGECU-DCAQKATOSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000582302353 357040145 /nfs/dbraw/zinc/04/01/45/357040145.db2.gz QQYRSARCSQJMGI-IVZWLZJFSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000582302356 357040416 /nfs/dbraw/zinc/04/04/16/357040416.db2.gz QQYRSARCSQJMGI-OPRDCNLKSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000390614816 357107717 /nfs/dbraw/zinc/10/77/17/357107717.db2.gz GNVWMHMPTFNPOZ-IVZWLZJFSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000389945575 357073052 /nfs/dbraw/zinc/07/30/52/357073052.db2.gz QMTNWGNVYQRVOM-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000389945575 357073054 /nfs/dbraw/zinc/07/30/54/357073054.db2.gz QMTNWGNVYQRVOM-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](O)C[C@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000390679239 357114018 /nfs/dbraw/zinc/11/40/18/357114018.db2.gz WREYLYKUGVLJQU-NHCYSSNCSA-N 1 3 230.352 0.191 20 0 BCADHO C[C@H](O)C[C@H](C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000390679239 357114023 /nfs/dbraw/zinc/11/40/23/357114023.db2.gz WREYLYKUGVLJQU-NHCYSSNCSA-N 1 3 230.352 0.191 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000390468124 357094369 /nfs/dbraw/zinc/09/43/69/357094369.db2.gz IKJYCTXVZFAWPR-LPEHRKFASA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000390468123 357094431 /nfs/dbraw/zinc/09/44/31/357094431.db2.gz IKJYCTXVZFAWPR-IVZWLZJFSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000582419789 357143033 /nfs/dbraw/zinc/14/30/33/357143033.db2.gz HLVKSBVXNPWWBM-SCVCMEIPSA-N 1 3 235.331 0.408 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000582419788 357143300 /nfs/dbraw/zinc/14/33/00/357143300.db2.gz HLVKSBVXNPWWBM-NHCYSSNCSA-N 1 3 235.331 0.408 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423244858 192648984 /nfs/dbraw/zinc/64/89/84/192648984.db2.gz XWMOPMZQAUYLGW-IJLUTSLNSA-N 1 3 223.364 0.953 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2C[C@H](F)CN2)CC[C@H]1[NH3+] ZINC000374619202 357165228 /nfs/dbraw/zinc/16/52/28/357165228.db2.gz NNTDJFJDTLHKRL-IVZWLZJFSA-N 1 3 243.326 0.272 20 0 BCADHO N[C@H](C(=O)NCC1([NH3+])CCCC1)C1CCC1 ZINC000662648130 491110251 /nfs/dbraw/zinc/11/02/51/491110251.db2.gz FIBOXHYSPHLMOW-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH2+]C ZINC000394261674 357342019 /nfs/dbraw/zinc/34/20/19/357342019.db2.gz MHVPLPMPLSZSBP-TUAOUCFPSA-N 1 3 239.363 0.680 20 0 BCADHO CC(=O)NCCN(C)CC[C@H]1CC[NH2+]C1 ZINC000396746358 357482179 /nfs/dbraw/zinc/48/21/79/357482179.db2.gz ZAOYOOWRINSUMZ-LLVKDONJSA-N 1 3 213.325 0.054 20 0 BCADHO CN(C)CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000545284750 325207171 /nfs/dbraw/zinc/20/71/71/325207171.db2.gz ZNIZMAZZVMJDSZ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC000545284750 325207174 /nfs/dbraw/zinc/20/71/74/325207174.db2.gz ZNIZMAZZVMJDSZ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709620 357647657 /nfs/dbraw/zinc/64/76/57/357647657.db2.gz BTIBEWUQCNQDFT-SCVCMEIPSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)CS1 ZINC000397709620 357647660 /nfs/dbraw/zinc/64/76/60/357647660.db2.gz BTIBEWUQCNQDFT-SCVCMEIPSA-N 1 3 244.404 0.925 20 0 BCADHO CCCC[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000232979419 357695950 /nfs/dbraw/zinc/69/59/50/357695950.db2.gz FOQZVKWSBWQQEC-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000086070277 357817831 /nfs/dbraw/zinc/81/78/31/357817831.db2.gz NFRFNQJPOZEVNJ-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000234255190 357788445 /nfs/dbraw/zinc/78/84/45/357788445.db2.gz RWVVSKHXKFPEFW-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000659521952 491115305 /nfs/dbraw/zinc/11/53/05/491115305.db2.gz XXYPPZIWJBHLGY-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO [NH3+]CCOCCN1CCS[C@H]2COCC[C@H]21 ZINC000584474991 357991194 /nfs/dbraw/zinc/99/11/94/357991194.db2.gz PRKGYIYDSLUGPG-MNOVXSKESA-N 1 3 246.376 0.168 20 0 BCADHO C[NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000584479778 357996633 /nfs/dbraw/zinc/99/66/33/357996633.db2.gz GQEMCJIXOYSTBR-VIFPVBQESA-N 1 3 249.314 0.715 20 0 BCADHO CCN(CCNC(=O)[C@H](C)[NH2+]C)C1CC1 ZINC000219907216 358010938 /nfs/dbraw/zinc/01/09/38/358010938.db2.gz SLESAXKRLIISID-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110563 134249536 /nfs/dbraw/zinc/24/95/36/134249536.db2.gz QBTROBOTBZDKHQ-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110563 134249537 /nfs/dbraw/zinc/24/95/37/134249537.db2.gz QBTROBOTBZDKHQ-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000584589393 358103014 /nfs/dbraw/zinc/10/30/14/358103014.db2.gz OZIKXNINCXGXHA-KOLCDFICSA-N 1 3 225.336 0.182 20 0 BCADHO N[C@@H](CC(=O)NCCC[NH3+])c1ccccc1 ZINC000041043483 358241435 /nfs/dbraw/zinc/24/14/35/358241435.db2.gz CTTQVZQZQNGXKS-NSHDSACASA-N 1 3 221.304 0.542 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624493 358244246 /nfs/dbraw/zinc/24/42/46/358244246.db2.gz OGZXGRVPMIYRHT-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624493 358244251 /nfs/dbraw/zinc/24/42/51/358244251.db2.gz OGZXGRVPMIYRHT-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CNCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624390 358244469 /nfs/dbraw/zinc/24/44/69/358244469.db2.gz RGDTWKDEEXGVPT-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO CNCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624390 358244474 /nfs/dbraw/zinc/24/44/74/358244474.db2.gz RGDTWKDEEXGVPT-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232632 491128497 /nfs/dbraw/zinc/12/84/97/491128497.db2.gz GLRSQOVRLCPKJW-BBBLOLIVSA-N 1 3 213.325 0.310 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000041680236 358334155 /nfs/dbraw/zinc/33/41/55/358334155.db2.gz OMIDFSDOUPBIIU-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO Cn1ccc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000227220650 358352705 /nfs/dbraw/zinc/35/27/05/358352705.db2.gz UIXBZIJRACGORU-ZYHUDNBSSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1ccc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)n1 ZINC000227220650 358352708 /nfs/dbraw/zinc/35/27/08/358352708.db2.gz UIXBZIJRACGORU-ZYHUDNBSSA-N 1 3 222.336 0.822 20 0 BCADHO CN1CCC[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000044538755 358389300 /nfs/dbraw/zinc/38/93/00/358389300.db2.gz BHEGQTSVIRLPLG-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO CC[NH+]1CCC(CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000044526702 358389769 /nfs/dbraw/zinc/38/97/69/358389769.db2.gz SXNPZGJOEVKINX-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+]1CCC(CNC(=O)CNC)CC1 ZINC000044526758 358390180 /nfs/dbraw/zinc/39/01/80/358390180.db2.gz FUHFXDSTMINLRD-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000230382140 358398063 /nfs/dbraw/zinc/39/80/63/358398063.db2.gz OZDGVPANFKEEGR-IUCAKERBSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)(C[NH2+][C@H]1CCC[C@H](N)C1)C(N)=O ZINC000230382140 358398065 /nfs/dbraw/zinc/39/80/65/358398065.db2.gz OZDGVPANFKEEGR-IUCAKERBSA-N 1 3 213.325 0.357 20 0 BCADHO COC[C@H]([NH2+]CCOCCN(C)C)C(C)C ZINC000219323377 134281374 /nfs/dbraw/zinc/28/13/74/134281374.db2.gz SCSJCWHXRIXKHO-LBPRGKRZSA-N 1 3 232.368 0.825 20 0 BCADHO CO[C@H](C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219314809 134281604 /nfs/dbraw/zinc/28/16/04/134281604.db2.gz CIOXDEZEOFIFMJ-GHMZBOCLSA-N 1 3 218.341 0.578 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@H](C)C[NH3+] ZINC000044808143 358555359 /nfs/dbraw/zinc/55/53/59/358555359.db2.gz JKQBDXBGBPVFQB-LLVKDONJSA-N 1 3 229.368 0.627 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559776 358695407 /nfs/dbraw/zinc/69/54/07/358695407.db2.gz WOMORZQQZXYRNU-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2COCCO2)CC[N@@H+]1C ZINC000133880385 358771169 /nfs/dbraw/zinc/77/11/69/358771169.db2.gz NEOKTHDAJRDEDM-GRYCIOLGSA-N 1 3 228.336 0.474 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2COCCO2)CC[N@H+]1C ZINC000133880385 358771173 /nfs/dbraw/zinc/77/11/73/358771173.db2.gz NEOKTHDAJRDEDM-GRYCIOLGSA-N 1 3 228.336 0.474 20 0 BCADHO CCC[NH+]1CCC(N[C@@H](C)CC(N)=O)CC1 ZINC000135809818 358851988 /nfs/dbraw/zinc/85/19/88/358851988.db2.gz RCTKMCLOORACNW-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO COC(=O)CCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061463 134297115 /nfs/dbraw/zinc/29/71/15/134297115.db2.gz VBGKKOWCYITOHQ-MNOVXSKESA-N 1 3 228.336 0.964 20 0 BCADHO COC(=O)CCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061463 134297116 /nfs/dbraw/zinc/29/71/16/134297116.db2.gz VBGKKOWCYITOHQ-MNOVXSKESA-N 1 3 228.336 0.964 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCn2cccn2)C1 ZINC000086403564 358967686 /nfs/dbraw/zinc/96/76/86/358967686.db2.gz IXCQEDLFJKORDB-WDEREUQCSA-N 1 3 208.309 0.743 20 0 BCADHO CCCNC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403841 358968546 /nfs/dbraw/zinc/96/85/46/358968546.db2.gz VYGLIHCLUMJSHK-MNOVXSKESA-N 1 3 227.352 0.762 20 0 BCADHO CCCNC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086403841 358968549 /nfs/dbraw/zinc/96/85/49/358968549.db2.gz VYGLIHCLUMJSHK-MNOVXSKESA-N 1 3 227.352 0.762 20 0 BCADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000308820114 491138410 /nfs/dbraw/zinc/13/84/10/491138410.db2.gz GFXQQFIBKDJPIF-SRVKXCTJSA-N 1 3 210.321 0.564 20 0 BCADHO CCN1CCC([NH2+]CCN(C)CCOC)CC1 ZINC000061374953 358932884 /nfs/dbraw/zinc/93/28/84/358932884.db2.gz LKJIGGDJNYIYDU-UHFFFAOYSA-N 1 3 243.395 0.639 20 0 BCADHO CC[NH+]1CCC(NCCN(C)CCOC)CC1 ZINC000061374953 358932887 /nfs/dbraw/zinc/93/28/87/358932887.db2.gz LKJIGGDJNYIYDU-UHFFFAOYSA-N 1 3 243.395 0.639 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423323556 192706825 /nfs/dbraw/zinc/70/68/25/192706825.db2.gz ICTIZRKGGQDHIS-UPJWGTAASA-N 1 3 225.380 0.916 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCNC[C@@H]1C ZINC000379529745 359536960 /nfs/dbraw/zinc/53/69/60/359536960.db2.gz IEBMLSOLHJNPML-OUAUKWLOSA-N 1 3 200.326 0.857 20 0 BCADHO CCCN(C)CC(=O)N(C)CCC[NH2+]C ZINC000424021939 192855161 /nfs/dbraw/zinc/85/51/61/192855161.db2.gz SMRVJHFHRFMXJS-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000578442148 366569210 /nfs/dbraw/zinc/56/92/10/366569210.db2.gz AFCZGMIJJOXPNX-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000578524621 366590708 /nfs/dbraw/zinc/59/07/08/366590708.db2.gz LWEIALYXRIFJDQ-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000087122776 359900344 /nfs/dbraw/zinc/90/03/44/359900344.db2.gz QECSGCRPSMSQJA-VWYCJHECSA-N 1 3 227.352 0.441 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875057 360135334 /nfs/dbraw/zinc/13/53/34/360135334.db2.gz BWHGQQDWAIHYRG-CMPLNLGQSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCCN1C ZINC000626950237 360530135 /nfs/dbraw/zinc/53/01/35/360530135.db2.gz NKKRQOZNICVOBU-HBNTYKKESA-N 1 3 240.351 0.130 20 0 BCADHO CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000154394166 360796082 /nfs/dbraw/zinc/79/60/82/360796082.db2.gz GAGUSUDQONWLQI-ZJUUUORDSA-N 1 3 213.325 0.454 20 0 BCADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)C[C@@H](C)S1 ZINC000069908575 361013973 /nfs/dbraw/zinc/01/39/73/361013973.db2.gz CUTNXIGYHLSIFC-VXGBXAGGSA-N 1 3 243.420 0.717 20 0 BCADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156099 200870966 /nfs/dbraw/zinc/87/09/66/200870966.db2.gz NPCGNOMNAUYSND-YFKTTZPYSA-N 1 3 239.363 0.713 20 0 BCADHO CO[C@@H](C)[C@H](C)NCC1([NH3+])CCOCC1 ZINC000629521073 361117597 /nfs/dbraw/zinc/11/75/97/361117597.db2.gz KZLILTQILAWTFV-UWVGGRQHSA-N 1 3 216.325 0.507 20 0 BCADHO [NH3+]C1(C(=O)N2CCN3CCC[C@@H]3C2)CCCC1 ZINC000037812673 181324098 /nfs/dbraw/zinc/32/40/98/181324098.db2.gz FBJVKZARVRRAPM-LLVKDONJSA-N 1 3 237.347 0.565 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCN1C ZINC000629520883 361116567 /nfs/dbraw/zinc/11/65/67/361116567.db2.gz YQJDENBXVDVLJQ-TUAOUCFPSA-N 1 3 211.353 0.668 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1cn[nH]c1 ZINC000629530746 361145569 /nfs/dbraw/zinc/14/55/69/361145569.db2.gz PWUPAQCMBPMUDY-SECBINFHSA-N 1 3 212.297 0.296 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000629532671 361154525 /nfs/dbraw/zinc/15/45/25/361154525.db2.gz LOQLGFJSVPKXGX-SRVKXCTJSA-N 1 3 227.352 0.177 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000629532920 361155284 /nfs/dbraw/zinc/15/52/84/361155284.db2.gz YIUYIPLDAGUKBQ-RWMBFGLXSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523580 361121292 /nfs/dbraw/zinc/12/12/92/361121292.db2.gz HVHGGWZCTSUZIM-DBIOUOCHSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629523581 361121353 /nfs/dbraw/zinc/12/13/53/361121353.db2.gz HVHGGWZCTSUZIM-GWOFURMSSA-N 1 3 225.336 0.228 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000629523890 361121402 /nfs/dbraw/zinc/12/14/02/361121402.db2.gz KZZUPXOPTCLTBO-XWLWVQCSSA-N 1 3 225.336 0.500 20 0 BCADHO CC(C)CC[C@H](CO)N[C@H](C)C1C[NH2+]C1 ZINC000629523301 361124030 /nfs/dbraw/zinc/12/40/30/361124030.db2.gz LDJDFDLIRVHZPB-ZYHUDNBSSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)CC[C@H](CO)[NH2+][C@H](C)C1CNC1 ZINC000629523301 361124034 /nfs/dbraw/zinc/12/40/34/361124034.db2.gz LDJDFDLIRVHZPB-ZYHUDNBSSA-N 1 3 214.353 0.981 20 0 BCADHO NC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCCC1 ZINC000377395979 181325436 /nfs/dbraw/zinc/32/54/36/181325436.db2.gz XPBSDRZZJIWCRN-UWVGGRQHSA-N 1 3 243.326 0.464 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474897 361246130 /nfs/dbraw/zinc/24/61/30/361246130.db2.gz CUSLSVRMIZENQS-JHJVBQTASA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474897 361246134 /nfs/dbraw/zinc/24/61/34/361246134.db2.gz CUSLSVRMIZENQS-JHJVBQTASA-N 1 3 224.348 0.927 20 0 BCADHO NC1(C(=O)NCCC[NH+]2CCCC2)CCCC1 ZINC000037616130 181326165 /nfs/dbraw/zinc/32/61/65/181326165.db2.gz OMHCMKGNJBTRND-UHFFFAOYSA-N 1 3 239.363 0.860 20 0 BCADHO CC(C)(O)C[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000579241626 366744001 /nfs/dbraw/zinc/74/40/01/366744001.db2.gz XRURSMACUXSPMT-NSHDSACASA-N 1 3 242.363 0.445 20 0 BCADHO CC(C)(O)C[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000579241626 366744006 /nfs/dbraw/zinc/74/40/06/366744006.db2.gz XRURSMACUXSPMT-NSHDSACASA-N 1 3 242.363 0.445 20 0 BCADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428629854 201030872 /nfs/dbraw/zinc/03/08/72/201030872.db2.gz WBRKCKPYCCHXIM-FOSCPWQOSA-N 1 3 239.363 0.727 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000622044451 370675764 /nfs/dbraw/zinc/67/57/64/370675764.db2.gz GAKOZCLFBHLHEN-QJPTWQEYSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](Cn1cncn1)NCC[C@H](C)[NH3+] ZINC000622044377 370676893 /nfs/dbraw/zinc/67/68/93/370676893.db2.gz DAOIROSBNZPMOI-VHSXEESVSA-N 1 3 211.313 0.384 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000622044561 370677102 /nfs/dbraw/zinc/67/71/02/370677102.db2.gz KOHHRQASFIVUSE-RTXFEEFZSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](Cn1cncn1)NCC[C@H](C)[NH3+] ZINC000622044376 370677601 /nfs/dbraw/zinc/67/76/01/370677601.db2.gz DAOIROSBNZPMOI-UWVGGRQHSA-N 1 3 211.313 0.384 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428618851 201029281 /nfs/dbraw/zinc/02/92/81/201029281.db2.gz CHZQLWOSSNITNN-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C[NH3+] ZINC000428915355 201050372 /nfs/dbraw/zinc/05/03/72/201050372.db2.gz JAKCLDPSKYAFQL-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO CCCN(C)CC(=O)N1CCC([NH3+])CC1 ZINC000428731165 201039280 /nfs/dbraw/zinc/03/92/80/201039280.db2.gz LADANLJDXWBZRN-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CC[C@@H](C(=O)NC1CC[NH2+]CC1)N(CC)CC ZINC000428755666 201042142 /nfs/dbraw/zinc/04/21/42/201042142.db2.gz ZWXLWIPCDURHHD-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](CC)N(CC)CC ZINC000429095499 201069588 /nfs/dbraw/zinc/06/95/88/201069588.db2.gz MZWAELIKCMVDTD-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000429132790 201070457 /nfs/dbraw/zinc/07/04/57/201070457.db2.gz FMIUTMAJBGWRJN-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428957080 201052761 /nfs/dbraw/zinc/05/27/61/201052761.db2.gz ZTVBPMIYZOVXAL-BJDJZHNGSA-N 1 3 241.379 0.864 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000429156109 201072492 /nfs/dbraw/zinc/07/24/92/201072492.db2.gz DSVIABNYWCJSCU-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H](NC(=O)[C@H]1CCCCN1)[C@H]1CCC[NH2+]C1 ZINC000428969091 201055150 /nfs/dbraw/zinc/05/51/50/201055150.db2.gz QQONYHHDGJDOCX-SDDRHHMPSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](NC(=O)[C@H]1CCCCN1)[C@H]1CCC[NH2+]C1 ZINC000428969088 201055836 /nfs/dbraw/zinc/05/58/36/201055836.db2.gz QQONYHHDGJDOCX-GRYCIOLGSA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)N(CC)CC ZINC000429082173 201067066 /nfs/dbraw/zinc/06/70/66/201067066.db2.gz RHJBSFSLCIBXBM-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000429162727 201075389 /nfs/dbraw/zinc/07/53/89/201075389.db2.gz YPLNIDAUQULIJF-TUAOUCFPSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C1CCN(C)CC1 ZINC000429180141 201076418 /nfs/dbraw/zinc/07/64/18/201076418.db2.gz HSVWGJKHSHAMNR-NSHDSACASA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000429176655 201076605 /nfs/dbraw/zinc/07/66/05/201076605.db2.gz YPLNIDAUQULIJF-QJPTWQEYSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000429173773 201076714 /nfs/dbraw/zinc/07/67/14/201076714.db2.gz BVHONIOSPQITJS-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO CCCN(C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429408925 201106271 /nfs/dbraw/zinc/10/62/71/201106271.db2.gz XEGFCLBIKJLNAV-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CN(C)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000036757331 361395550 /nfs/dbraw/zinc/39/55/50/361395550.db2.gz BIKWNCBACOELBH-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO NC1(C(=O)N2CCC(CC[NH3+])CC2)CCC1 ZINC000579368454 366771559 /nfs/dbraw/zinc/77/15/59/366771559.db2.gz WSCCMHJCDXOLIO-UHFFFAOYSA-N 1 3 225.336 0.455 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429658414 201123154 /nfs/dbraw/zinc/12/31/54/201123154.db2.gz IBVCEKAVTPAKJM-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429658415 201123459 /nfs/dbraw/zinc/12/34/59/201123459.db2.gz IBVCEKAVTPAKJM-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)CN(C)CCC ZINC000429623944 201123547 /nfs/dbraw/zinc/12/35/47/201123547.db2.gz KTLBFAHAHXOQSM-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000629548498 361432392 /nfs/dbraw/zinc/43/23/92/361432392.db2.gz ZVTKXPKQDDBMCB-SQNXGDPESA-N 1 3 239.363 0.093 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1N[C@H](C1CC1)[C@H]1CNCCO1 ZINC000629548500 361432693 /nfs/dbraw/zinc/43/26/93/361432693.db2.gz ZVTKXPKQDDBMCB-WKSBVSIWSA-N 1 3 239.363 0.093 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000629548496 361433174 /nfs/dbraw/zinc/43/31/74/361433174.db2.gz ZVTKXPKQDDBMCB-RYDUCSDGSA-N 1 3 239.363 0.093 20 0 BCADHO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)C1 ZINC000629554664 361443971 /nfs/dbraw/zinc/44/39/71/361443971.db2.gz MPTWSHVVEIRPEV-NAWOPXAZSA-N 1 3 242.363 0.753 20 0 BCADHO Cc1nn(C)cc1[C@@H](C)NCCOCCC[NH3+] ZINC000629541932 361418230 /nfs/dbraw/zinc/41/82/30/361418230.db2.gz ULCRNIMLBZUACR-SNVBAGLBSA-N 1 3 240.351 0.745 20 0 BCADHO CCOCCN(C)CCOCC[NH2+]C ZINC000629568285 361460396 /nfs/dbraw/zinc/46/03/96/361460396.db2.gz QHWUBRIUGOLLFM-UHFFFAOYSA-N 1 3 204.314 0.191 20 0 BCADHO C[NH2+]CCOCCN(C)Cc1cccc(N)c1 ZINC000629570848 361460884 /nfs/dbraw/zinc/46/08/84/361460884.db2.gz NUHKVMVDKKZZHJ-UHFFFAOYSA-N 1 3 237.347 0.937 20 0 BCADHO CCN(C)C(=O)CCN(C)CCOCC[NH2+]C ZINC000629572406 361463932 /nfs/dbraw/zinc/46/39/32/361463932.db2.gz RWEVZERCFGPTCJ-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO O[C@H](CN[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000629578703 361464612 /nfs/dbraw/zinc/46/46/12/361464612.db2.gz LSVMJPZTCJPPKU-FRRDWIJNSA-N 1 3 224.348 0.831 20 0 BCADHO O[C@@H](CN[C@@H]1C[C@H]1C1CC1)C[NH+]1CCCC1 ZINC000629578706 361464883 /nfs/dbraw/zinc/46/48/83/361464883.db2.gz LSVMJPZTCJPPKU-RWMBFGLXSA-N 1 3 224.348 0.831 20 0 BCADHO CCC1(N2CCOCC2)CCN(CC[NH3+])CC1 ZINC000629583651 361467203 /nfs/dbraw/zinc/46/72/03/361467203.db2.gz HMBNNNXQBGIBPQ-UHFFFAOYSA-N 1 3 241.379 0.522 20 0 BCADHO COC[C@@]1(C)CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000629594337 361486769 /nfs/dbraw/zinc/48/67/69/361486769.db2.gz ADOOGCKAZZZEPR-CHWSQXEVSA-N 1 3 242.363 0.723 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000629611338 361501541 /nfs/dbraw/zinc/50/15/41/361501541.db2.gz RKNJNLRVQRWISC-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)N(C)C ZINC000629611343 361501789 /nfs/dbraw/zinc/50/17/89/361501789.db2.gz RNTADYXDHKQGGW-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)N(C)C ZINC000629615394 361504019 /nfs/dbraw/zinc/50/40/19/361504019.db2.gz OMKTULVUTOZJSH-QJPTWQEYSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)N(C)C ZINC000629615919 361505072 /nfs/dbraw/zinc/50/50/72/361505072.db2.gz ZDJPPVDTHSWEMY-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000629615565 361505487 /nfs/dbraw/zinc/50/54/87/361505487.db2.gz VDCRIBFIBWSSND-VQXHTEKXSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)N(C)C ZINC000629616331 361506669 /nfs/dbraw/zinc/50/66/69/361506669.db2.gz ZXZGGLDDKYPROE-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N(C)C ZINC000629613638 361507910 /nfs/dbraw/zinc/50/79/10/361507910.db2.gz PZUXJAVEPJMLJU-DMDPSCGWSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000629614421 361509380 /nfs/dbraw/zinc/50/93/80/361509380.db2.gz JMISDJLXXVEVLL-GRYCIOLGSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H](C)N1 ZINC000153242331 201229780 /nfs/dbraw/zinc/22/97/80/201229780.db2.gz UBBOJDAZXFOGOS-GMTAPVOTSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000434703490 201236248 /nfs/dbraw/zinc/23/62/48/201236248.db2.gz UISCCZSTPGPNRC-GRYCIOLGSA-N 1 3 241.379 0.829 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000434703786 201237379 /nfs/dbraw/zinc/23/73/79/201237379.db2.gz BENJZGIBOCBDJY-VWYCJHECSA-N 1 3 227.352 0.761 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000154588362 201282762 /nfs/dbraw/zinc/28/27/62/201282762.db2.gz JMJYSXAICQQBOT-GHMZBOCLSA-N 1 3 229.368 0.544 20 0 BCADHO C[NH2+]CCCN1CC[C@@H](COCCOC)C1 ZINC000435879687 201292065 /nfs/dbraw/zinc/29/20/65/201292065.db2.gz DVMXEYRQOLZOCE-GFCCVEGCSA-N 1 3 230.352 0.581 20 0 BCADHO CNCCC[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000435879687 201292069 /nfs/dbraw/zinc/29/20/69/201292069.db2.gz DVMXEYRQOLZOCE-GFCCVEGCSA-N 1 3 230.352 0.581 20 0 BCADHO CNCCC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000435879687 201292070 /nfs/dbraw/zinc/29/20/70/201292070.db2.gz DVMXEYRQOLZOCE-GFCCVEGCSA-N 1 3 230.352 0.581 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653111935 541310463 /nfs/dbraw/zinc/31/04/63/541310463.db2.gz HBLHHICKVRLEQO-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO NCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000195139089 181354584 /nfs/dbraw/zinc/35/45/84/181354584.db2.gz MWHQMOAGWLOLND-UHFFFAOYSA-N 1 3 247.342 0.857 20 0 BCADHO c1c(CNC2CCCCC2)nnn1CC1C[NH2+]C1 ZINC000630612628 364344006 /nfs/dbraw/zinc/34/40/06/364344006.db2.gz CIGZXZGLMWKEHL-UHFFFAOYSA-N 1 3 249.362 0.920 20 0 BCADHO CC(C)(C)[C@@H](N)c1cn(CC2C[NH2+]C2)nn1 ZINC000630613138 364341200 /nfs/dbraw/zinc/34/12/00/364341200.db2.gz IEZMJFWUNHSAOA-JTQLQIEISA-N 1 3 223.324 0.543 20 0 BCADHO c1c(C[C@@H]2CC[NH2+]C2)nnn1CCN1CCCC1 ZINC000630618113 364360571 /nfs/dbraw/zinc/36/05/71/364360571.db2.gz NLSADCNGDBXSCX-LBPRGKRZSA-N 1 3 249.362 0.526 20 0 BCADHO [NH3+]CCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000375999850 181367381 /nfs/dbraw/zinc/36/73/81/181367381.db2.gz ZYSCDJCVWSKCES-GFCCVEGCSA-N 1 3 233.315 0.338 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc2c(c1F)CCNC2 ZINC000336383365 181369058 /nfs/dbraw/zinc/36/90/58/181369058.db2.gz LCAIADUONUHAQV-UHFFFAOYSA-N 1 3 237.278 0.759 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@H](C)N(C)C ZINC000573321850 364798224 /nfs/dbraw/zinc/79/82/24/364798224.db2.gz AIUUJWRPSYIMHR-BBBLOLIVSA-N 1 3 230.356 0.362 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573562649 364861494 /nfs/dbraw/zinc/86/14/94/364861494.db2.gz AGTILRWZKHFUMX-UKKRHICBSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000573682119 364891305 /nfs/dbraw/zinc/89/13/05/364891305.db2.gz PMEVAPPGYJINQG-JTQLQIEISA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000573699572 364898254 /nfs/dbraw/zinc/89/82/54/364898254.db2.gz SRVRUPUOVWGWEN-GHMZBOCLSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000573699575 364898303 /nfs/dbraw/zinc/89/83/03/364898303.db2.gz SRVRUPUOVWGWEN-QWRGUYRKSA-N 1 3 227.352 0.583 20 0 BCADHO [NH3+]CCCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000375956578 181372601 /nfs/dbraw/zinc/37/26/01/181372601.db2.gz CZYRDFWMOGPTSD-CYBMUJFWSA-N 1 3 247.342 0.729 20 0 BCADHO CC(C)N(C)CC(=O)NCC1CC[NH2+]CC1 ZINC000573800897 364918175 /nfs/dbraw/zinc/91/81/75/364918175.db2.gz ITBDLZNHQVTYKN-UHFFFAOYSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000573924132 364941412 /nfs/dbraw/zinc/94/14/12/364941412.db2.gz RGNPMSBCKRVFIL-WDEREUQCSA-N 1 3 227.352 0.300 20 0 BCADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000574038396 364972827 /nfs/dbraw/zinc/97/28/27/364972827.db2.gz COGYRUHUXBZZOV-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CO[C@@H]1COC[C@@H]1[NH2+]CC[C@@H]1CCCCN1C ZINC000574166288 365001636 /nfs/dbraw/zinc/00/16/36/365001636.db2.gz WNBRFNUAVLPLCR-RWMBFGLXSA-N 1 3 242.363 0.864 20 0 BCADHO NCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262464286 181379956 /nfs/dbraw/zinc/37/99/56/181379956.db2.gz NEDSBMHTZLWADH-UHFFFAOYSA-N 1 3 221.304 0.323 20 0 BCADHO C[C@@](C[NH3+])(NC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000574400224 365053865 /nfs/dbraw/zinc/05/38/65/365053865.db2.gz CMMFHMRAKLLTIJ-XVKPBYJWSA-N 1 3 235.278 0.213 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027844 365059436 /nfs/dbraw/zinc/05/94/36/365059436.db2.gz WODLEYTUKVXNSW-SDDRHHMPSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000574573678 365093894 /nfs/dbraw/zinc/09/38/94/365093894.db2.gz FJXUWACBEGVDDK-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000574573678 365093900 /nfs/dbraw/zinc/09/39/00/365093900.db2.gz FJXUWACBEGVDDK-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000574755969 365136952 /nfs/dbraw/zinc/13/69/52/365136952.db2.gz CGHYNASWJOUYJG-NXEZZACHSA-N 1 3 245.392 0.183 20 0 BCADHO CC(C)CC[C@@H](O)CNC[C@H](O)C[NH+](C)C ZINC000574876537 365165241 /nfs/dbraw/zinc/16/52/41/365165241.db2.gz ASJKYMFFXDADNC-NEPJUHHUSA-N 1 3 232.368 0.296 20 0 BCADHO CNC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000574881304 365167139 /nfs/dbraw/zinc/16/71/39/365167139.db2.gz DQIJTAOZVXCGKF-UTUOFQBUSA-N 1 3 230.352 0.362 20 0 BCADHO C[NH2+]C[C@](C)(O)CN[C@H](C)[C@@H]1CCCOC1 ZINC000574881304 365167146 /nfs/dbraw/zinc/16/71/46/365167146.db2.gz DQIJTAOZVXCGKF-UTUOFQBUSA-N 1 3 230.352 0.362 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000574881839 365168260 /nfs/dbraw/zinc/16/82/60/365168260.db2.gz WFTGHICWPNVIDQ-AEJSXWLSSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000575047416 365176870 /nfs/dbraw/zinc/17/68/70/365176870.db2.gz QCZIWTZJWGIIFL-GRYCIOLGSA-N 1 3 245.326 0.640 20 0 BCADHO C[C@H](N)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814162 365145699 /nfs/dbraw/zinc/14/56/99/365145699.db2.gz CBJPBOVODMKQRT-WDEREUQCSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H](N)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814162 365145703 /nfs/dbraw/zinc/14/57/03/365145703.db2.gz CBJPBOVODMKQRT-WDEREUQCSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000575122409 365211391 /nfs/dbraw/zinc/21/13/91/365211391.db2.gz NVYWKIUNVYECIU-MRVPVSSYSA-N 1 3 235.287 0.454 20 0 BCADHO C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000575122409 365211395 /nfs/dbraw/zinc/21/13/95/365211395.db2.gz NVYWKIUNVYECIU-MRVPVSSYSA-N 1 3 235.287 0.454 20 0 BCADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177012 193040165 /nfs/dbraw/zinc/04/01/65/193040165.db2.gz SBCWHPPFBJVITQ-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN2CCC[C@@H]2C1 ZINC000444168552 193040432 /nfs/dbraw/zinc/04/04/32/193040432.db2.gz PCSQAVOPNWGIFV-DYEKYZERSA-N 1 3 249.358 0.293 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)N(C)C ZINC000444187710 193041810 /nfs/dbraw/zinc/04/18/10/193041810.db2.gz SMKRKEOIYDMDMR-JFGNBEQYSA-N 1 3 225.336 0.052 20 0 BCADHO CNC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156091544 541485454 /nfs/dbraw/zinc/48/54/54/541485454.db2.gz DNJMYYOWMSOZPY-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156091544 541485458 /nfs/dbraw/zinc/48/54/58/541485458.db2.gz DNJMYYOWMSOZPY-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000579730027 366996750 /nfs/dbraw/zinc/99/67/50/366996750.db2.gz SOVIEFWGIVSRHM-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000579730027 366996756 /nfs/dbraw/zinc/99/67/56/366996756.db2.gz SOVIEFWGIVSRHM-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CC[C@@]1(NC[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085025 541513716 /nfs/dbraw/zinc/51/37/16/541513716.db2.gz JWMVNTCQNAQVIO-QWHCGFSZSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@@]1(NC[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085025 541513720 /nfs/dbraw/zinc/51/37/20/541513720.db2.gz JWMVNTCQNAQVIO-QWHCGFSZSA-N 1 3 242.363 0.600 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000579961775 367103796 /nfs/dbraw/zinc/10/37/96/367103796.db2.gz QOGJVHSMZZBNGD-IUCAKERBSA-N 1 3 247.289 0.322 20 0 BCADHO C[C@@H](NC(=O)[C@H](CN)c1ccccc1)[C@H](C)[NH3+] ZINC000580832911 367180815 /nfs/dbraw/zinc/18/08/15/367180815.db2.gz KKNBMDCSHCTYOG-HOSYDEDBSA-N 1 3 235.331 0.581 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000581142062 367275895 /nfs/dbraw/zinc/27/58/95/367275895.db2.gz IVBGXORDWONHGT-GXSJLCMTSA-N 1 3 221.304 0.411 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CC(F)F ZINC000581010447 367234042 /nfs/dbraw/zinc/23/40/42/367234042.db2.gz ICGGGFXATADWNY-SSDOTTSWSA-N 1 3 237.294 0.603 20 0 BCADHO C[NH2+]Cc1ccccc1NC(=O)COC1CNC1 ZINC000581071288 367252226 /nfs/dbraw/zinc/25/22/26/367252226.db2.gz DARGTVZLVYUVHV-UHFFFAOYSA-N 1 3 249.314 0.333 20 0 BCADHO CC[C@@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000381110707 367351573 /nfs/dbraw/zinc/35/15/73/367351573.db2.gz ZXKGPFATTPSSTN-NEPJUHHUSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000381110707 367351577 /nfs/dbraw/zinc/35/15/77/367351577.db2.gz ZXKGPFATTPSSTN-NEPJUHHUSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000381110710 367351632 /nfs/dbraw/zinc/35/16/32/367351632.db2.gz ZXKGPFATTPSSTN-RYUDHWBXSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000381110710 367351635 /nfs/dbraw/zinc/35/16/35/367351635.db2.gz ZXKGPFATTPSSTN-RYUDHWBXSA-N 1 3 230.352 0.192 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CNC1CC1 ZINC000581180491 367284955 /nfs/dbraw/zinc/28/49/55/367284955.db2.gz PAJIJDMLELTJIJ-KOLCDFICSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H](N(C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865949 367565616 /nfs/dbraw/zinc/56/56/16/367565616.db2.gz NYNSPOBPORGDDY-PWSUYJOCSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H](N(C)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)O ZINC000382865949 367565621 /nfs/dbraw/zinc/56/56/21/367565621.db2.gz NYNSPOBPORGDDY-PWSUYJOCSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000581488184 367518890 /nfs/dbraw/zinc/51/88/90/367518890.db2.gz SYGFDVMBQICIOZ-SVRRBLITSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NC1CCN(C)CC1 ZINC000383161401 367601956 /nfs/dbraw/zinc/60/19/56/367601956.db2.gz NVFZXCFZPOXGBZ-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO C[N@H+](C[C@@H](O)CNC[C@]1(C)CCCO1)C1CC1 ZINC000383487966 367627887 /nfs/dbraw/zinc/62/78/87/367627887.db2.gz AHLJBIZXAAUJLM-STQMWFEESA-N 1 3 242.363 0.600 20 0 BCADHO C[N@@H+](C[C@@H](O)CNC[C@]1(C)CCCO1)C1CC1 ZINC000383487966 367627893 /nfs/dbraw/zinc/62/78/93/367627893.db2.gz AHLJBIZXAAUJLM-STQMWFEESA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H](CCN(C)C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000383644570 367646883 /nfs/dbraw/zinc/64/68/83/367646883.db2.gz CDKUAMJBUBDWQD-AAEUAGOBSA-N 1 3 243.395 0.371 20 0 BCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCN1 ZINC000384832569 367739385 /nfs/dbraw/zinc/73/93/85/367739385.db2.gz LMRRWFBRNSNWKV-GMTAPVOTSA-N 1 3 223.320 0.091 20 0 BCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN1 ZINC000384832569 367739390 /nfs/dbraw/zinc/73/93/90/367739390.db2.gz LMRRWFBRNSNWKV-GMTAPVOTSA-N 1 3 223.320 0.091 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000581883416 367873949 /nfs/dbraw/zinc/87/39/49/367873949.db2.gz FLQDJYCHFJCABG-GMTAPVOTSA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+]CCCC(=O)Nc1ccc2c(c1)CNC2 ZINC000581823421 367832846 /nfs/dbraw/zinc/83/28/46/367832846.db2.gz FZLDTTOLIFHYET-UHFFFAOYSA-N 1 3 219.288 0.967 20 0 BCADHO C[C@H]([NH2+]C[C@H]1COCCO1)[C@H]1CCCCN1 ZINC000386561391 367992412 /nfs/dbraw/zinc/99/24/12/367992412.db2.gz JDQQBVMYAYVZEV-SDDRHHMPSA-N 1 3 228.336 0.522 20 0 BCADHO C[C@H]([NH2+]CCOCCO)[C@H]1CCCCN1 ZINC000386607197 368000303 /nfs/dbraw/zinc/00/03/03/368000303.db2.gz VXWPGOXPQAUQLZ-WDEREUQCSA-N 1 3 216.325 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@@H](C)N1 ZINC000566551356 326061433 /nfs/dbraw/zinc/06/14/33/326061433.db2.gz SDTXZBDBVUIIOO-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081018625 368566632 /nfs/dbraw/zinc/56/66/32/368566632.db2.gz FCVQJOTZNMDWEL-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)C[C@H](CNC(N)=[NH2+])N1CCCC1 ZINC000066245078 368642597 /nfs/dbraw/zinc/64/25/97/368642597.db2.gz WDTHBMRWOMANPN-SNVBAGLBSA-N 1 3 212.341 0.980 20 0 BCADHO CCN(CC)CC(=O)NCC[N@H+](C)C1CC1 ZINC000066923941 368668285 /nfs/dbraw/zinc/66/82/85/368668285.db2.gz UJOSWDLYIPVCHC-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCN(CC)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000066923941 368668288 /nfs/dbraw/zinc/66/82/88/368668288.db2.gz UJOSWDLYIPVCHC-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO COCCOCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086402443 368880111 /nfs/dbraw/zinc/88/01/11/368880111.db2.gz IKTZXWSAAMQJPN-RYUDHWBXSA-N 1 3 230.352 0.899 20 0 BCADHO CN(C[C@@H]1CCc2ncnn21)[C@H]1CCC[NH2+]CC1 ZINC000631823455 368982400 /nfs/dbraw/zinc/98/24/00/368982400.db2.gz FDFOJRNHSOAOMH-RYUDHWBXSA-N 1 3 249.362 0.839 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000091394509 369011633 /nfs/dbraw/zinc/01/16/33/369011633.db2.gz WMDKXCDYJDOFSY-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623661816 369075634 /nfs/dbraw/zinc/07/56/34/369075634.db2.gz DRVICHOOIYLWGY-DDHJBXDOSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623661816 369075636 /nfs/dbraw/zinc/07/56/36/369075636.db2.gz DRVICHOOIYLWGY-DDHJBXDOSA-N 1 3 237.347 0.467 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000567406974 326184803 /nfs/dbraw/zinc/18/48/03/326184803.db2.gz YCRJFLMGRYPHMV-VHSXEESVSA-N 1 3 213.325 0.243 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000567606569 326227932 /nfs/dbraw/zinc/22/79/32/326227932.db2.gz UMPITGKKBJTUAE-CMPLNLGQSA-N 1 3 228.336 0.234 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567673230 326242737 /nfs/dbraw/zinc/24/27/37/326242737.db2.gz HVZWPIKUBGHEHQ-DTWKUNHWSA-N 1 3 211.309 0.111 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)CNC1CC1 ZINC000390668515 369400306 /nfs/dbraw/zinc/40/03/06/369400306.db2.gz UVPJNHGJXVEZBW-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404906487 369439152 /nfs/dbraw/zinc/43/91/52/369439152.db2.gz YWVTWGVTKLUCJW-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H](N)C[C@@H]1C ZINC000631861974 369474590 /nfs/dbraw/zinc/47/45/90/369474590.db2.gz KGSUWZQXJCPKAQ-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H](N)C[C@@H]1C ZINC000631861974 369474595 /nfs/dbraw/zinc/47/45/95/369474595.db2.gz KGSUWZQXJCPKAQ-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000567833978 326266270 /nfs/dbraw/zinc/26/62/70/326266270.db2.gz RJLFLKIRVAZUFM-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO CNC[C@@H](O)C[NH2+]CC1(O)CCC(C)CC1 ZINC000567876133 326275473 /nfs/dbraw/zinc/27/54/73/326275473.db2.gz PBBWQPAQTJIHFY-MOENNCHZSA-N 1 3 230.352 0.098 20 0 BCADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)[C@H](C)N ZINC000166026543 203388085 /nfs/dbraw/zinc/38/80/85/203388085.db2.gz XZJXJPHWHVAZMN-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@H](C)N ZINC000166026543 203388088 /nfs/dbraw/zinc/38/80/88/203388088.db2.gz XZJXJPHWHVAZMN-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000251853875 369977937 /nfs/dbraw/zinc/97/79/37/369977937.db2.gz NJOQADPZXQXZSN-NWDGAFQWSA-N 1 3 211.353 0.764 20 0 BCADHO CC[C@H](C)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000251853875 369977940 /nfs/dbraw/zinc/97/79/40/369977940.db2.gz NJOQADPZXQXZSN-NWDGAFQWSA-N 1 3 211.353 0.764 20 0 BCADHO [NH3+]CCCC(=O)N1CCN(c2ccncc2)CC1 ZINC000621490985 370370823 /nfs/dbraw/zinc/37/08/23/370370823.db2.gz GKBDRZGTDSCEED-UHFFFAOYSA-N 1 3 248.330 0.469 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621683514 370432633 /nfs/dbraw/zinc/43/26/33/370432633.db2.gz XDZMARXFFRHJQB-CABZTGNLSA-N 1 3 223.320 0.208 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684730 370435024 /nfs/dbraw/zinc/43/50/24/370435024.db2.gz RKMLWHDJRIDUFF-WCABBAIRSA-N 1 3 211.309 0.064 20 0 BCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)CNC1CC1)C2 ZINC000621698530 370444114 /nfs/dbraw/zinc/44/41/14/370444114.db2.gz ZYCPYNNHYNNONE-SKDRFNHKSA-N 1 3 223.320 0.078 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C1(NC2CC2)CCC1 ZINC000621703740 370450993 /nfs/dbraw/zinc/45/09/93/370450993.db2.gz YSRHHBQAOTVEKX-VIFPVBQESA-N 1 3 225.336 0.515 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621686662 370436715 /nfs/dbraw/zinc/43/67/15/370436715.db2.gz WSBYPNBNJHLYFG-KGYLQXTDSA-N 1 3 239.363 0.844 20 0 BCADHO CN1CCN(C[C@@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776609 370525583 /nfs/dbraw/zinc/52/55/83/370525583.db2.gz PXQGUVUVJBUFJI-LLVKDONJSA-N 1 3 211.353 0.622 20 0 BCADHO CC(=O)N1CC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000568651017 326371135 /nfs/dbraw/zinc/37/11/35/326371135.db2.gz GAKOZCLFBHLHEN-WOPDTQHZSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000569113453 326391063 /nfs/dbraw/zinc/39/10/63/326391063.db2.gz NBICZQPCOZMVDW-LLVKDONJSA-N 1 3 241.379 0.947 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124003491 181556471 /nfs/dbraw/zinc/55/64/71/181556471.db2.gz QTGJJULPJBMTDG-STQMWFEESA-N 1 3 247.342 0.425 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C[C@H]2CCc3ncnn32)C1 ZINC000631825886 372603638 /nfs/dbraw/zinc/60/36/38/372603638.db2.gz XVWWUDNZUBWDPB-PWSUYJOCSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@@]1(CN)CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825886 372603643 /nfs/dbraw/zinc/60/36/43/372603643.db2.gz XVWWUDNZUBWDPB-PWSUYJOCSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@@]1(CN)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825886 372603649 /nfs/dbraw/zinc/60/36/49/372603649.db2.gz XVWWUDNZUBWDPB-PWSUYJOCSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@](C[NH3+])(NC[C@@H]1CCc2ncnn21)C1CC1 ZINC000631822551 372598391 /nfs/dbraw/zinc/59/83/91/372598391.db2.gz HVDUFSKPHHOYHW-CMPLNLGQSA-N 1 3 235.335 0.482 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000631822250 372598413 /nfs/dbraw/zinc/59/84/13/372598413.db2.gz XVXBTSSXZSFDLC-SDDRHHMPSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C[C@@H]1CCc2ncnn21 ZINC000631822452 372599001 /nfs/dbraw/zinc/59/90/01/372599001.db2.gz DJRLOQLKAGJWHT-VWYCJHECSA-N 1 3 235.335 0.435 20 0 BCADHO C[C@@H]1CCN(C[C@H]2CCc3ncnn32)C[C@@H]1C[NH3+] ZINC000631828842 372609089 /nfs/dbraw/zinc/60/90/89/372609089.db2.gz ZUIAANGCMZJLGM-GRYCIOLGSA-N 1 3 249.362 0.682 20 0 BCADHO OCC1([NH2+]C[C@@H]2CCCCO2)CCNCC1 ZINC000631829489 372611321 /nfs/dbraw/zinc/61/13/21/372611321.db2.gz RIQHJAXNTVEXII-NSHDSACASA-N 1 3 228.336 0.260 20 0 BCADHO COC[C@H](C[N@@H+]1CCCCC[C@H](N)C1)OC ZINC000631835010 372620005 /nfs/dbraw/zinc/62/00/05/372620005.db2.gz KIVRXQSDZNREEV-RYUDHWBXSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@H](C[N@H+]1CCCCC[C@H](N)C1)OC ZINC000631835010 372620011 /nfs/dbraw/zinc/62/00/11/372620011.db2.gz KIVRXQSDZNREEV-RYUDHWBXSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@@H+]1CCCCC[C@H](N)C1)OC ZINC000631835009 372621092 /nfs/dbraw/zinc/62/10/92/372621092.db2.gz KIVRXQSDZNREEV-NWDGAFQWSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@H+]1CCCCC[C@H](N)C1)OC ZINC000631835009 372621097 /nfs/dbraw/zinc/62/10/97/372621097.db2.gz KIVRXQSDZNREEV-NWDGAFQWSA-N 1 3 230.352 0.851 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(C2CC2)C1 ZINC000044726696 182017740 /nfs/dbraw/zinc/01/77/40/182017740.db2.gz PVGSQDHCMWNFJX-WDEREUQCSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000249733165 182027278 /nfs/dbraw/zinc/02/72/78/182027278.db2.gz BXOHPQBETDFVMX-NEPJUHHUSA-N 1 3 237.347 0.435 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCN(C2CC2)C1 ZINC000044726695 182028381 /nfs/dbraw/zinc/02/83/81/182028381.db2.gz PVGSQDHCMWNFJX-GHMZBOCLSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000227640515 182029185 /nfs/dbraw/zinc/02/91/85/182029185.db2.gz ZBYAEIIPXFZMDY-GHMZBOCLSA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632862293 373197076 /nfs/dbraw/zinc/19/70/76/373197076.db2.gz AQVSPPMBZHSXGL-RYUDHWBXSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH+](C)CCC1CCN([C@@H]2CCNC2=O)CC1 ZINC000178192624 205630624 /nfs/dbraw/zinc/63/06/24/205630624.db2.gz BQOUGMPLBHBTTP-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO O=C(NCCC[NH+]1CCCC1)[C@]1(F)CCNC1 ZINC000366331051 182167020 /nfs/dbraw/zinc/16/70/20/182167020.db2.gz SVQUSRVGRIOHOH-LBPRGKRZSA-N 1 3 243.326 0.290 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000035663387 182185635 /nfs/dbraw/zinc/18/56/35/182185635.db2.gz PZBASLRULUTMNC-LLVKDONJSA-N 1 3 225.336 0.198 20 0 BCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000131839227 182199820 /nfs/dbraw/zinc/19/98/20/182199820.db2.gz KUOUPIYBLBPUOQ-RYUDHWBXSA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428149956 206022126 /nfs/dbraw/zinc/02/21/26/206022126.db2.gz IAHLLOYLHIHPAO-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CNC2 ZINC000336548462 182304286 /nfs/dbraw/zinc/30/42/86/182304286.db2.gz FEQRGTAAIMBHGO-GFCCVEGCSA-N 1 3 231.299 0.382 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000178407279 134310081 /nfs/dbraw/zinc/31/00/81/134310081.db2.gz JTQPHTHSFHDBIA-SNVBAGLBSA-N 1 3 239.363 0.844 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCCC[C@@H]1C ZINC000178702789 134313173 /nfs/dbraw/zinc/31/31/73/134313173.db2.gz GPWUHCYHPQOWSA-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)CN(CC)CC ZINC000162741792 169002699 /nfs/dbraw/zinc/00/26/99/169002699.db2.gz SEDPBGGCMVEJON-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812657 169005434 /nfs/dbraw/zinc/00/54/34/169005434.db2.gz SVFVKHKJNNADDZ-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812657 169005437 /nfs/dbraw/zinc/00/54/37/169005437.db2.gz SVFVKHKJNNADDZ-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359381638 169006160 /nfs/dbraw/zinc/00/61/60/169006160.db2.gz BXNZRZKILKTZLA-DCAQKATOSA-N 1 3 225.336 0.182 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H](C)[NH2+]CC ZINC000309450579 169006831 /nfs/dbraw/zinc/00/68/31/169006831.db2.gz MLMYIFWUBUDSOD-UWVGGRQHSA-N 1 3 215.341 0.618 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643487 169007865 /nfs/dbraw/zinc/00/78/65/169007865.db2.gz WDTGCNHBASYULQ-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643487 169007867 /nfs/dbraw/zinc/00/78/67/169007867.db2.gz WDTGCNHBASYULQ-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220925251 134315042 /nfs/dbraw/zinc/31/50/42/134315042.db2.gz HCXAGAROAJLFSV-NWDGAFQWSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220925251 134315043 /nfs/dbraw/zinc/31/50/43/134315043.db2.gz HCXAGAROAJLFSV-NWDGAFQWSA-N 1 3 240.347 0.966 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000356394886 169068566 /nfs/dbraw/zinc/06/85/66/169068566.db2.gz PSYDTDHNQBZKJB-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000356394886 169068568 /nfs/dbraw/zinc/06/85/68/169068568.db2.gz PSYDTDHNQBZKJB-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000356394886 169068570 /nfs/dbraw/zinc/06/85/70/169068570.db2.gz PSYDTDHNQBZKJB-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000356394886 169068573 /nfs/dbraw/zinc/06/85/73/169068573.db2.gz PSYDTDHNQBZKJB-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)NCC[C@H](C)[NH3+] ZINC000309525242 169069954 /nfs/dbraw/zinc/06/99/54/169069954.db2.gz CJWXJHWILYMLLY-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356279417 169064196 /nfs/dbraw/zinc/06/41/96/169064196.db2.gz LXLDOPBFGFOTEE-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCCN1 ZINC000226406990 169120758 /nfs/dbraw/zinc/12/07/58/169120758.db2.gz GOWXIQYKFHJLCL-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCCN1 ZINC000226406990 169120760 /nfs/dbraw/zinc/12/07/60/169120760.db2.gz GOWXIQYKFHJLCL-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCCN(CCC(=O)N(C)C)C1CC[NH2+]CC1 ZINC000037898274 169138784 /nfs/dbraw/zinc/13/87/84/169138784.db2.gz HKTDGMZIUDQSRL-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC[NH3+] ZINC000045708925 169155797 /nfs/dbraw/zinc/15/57/97/169155797.db2.gz YZBQHNYOMSJMMR-UHFFFAOYSA-N 1 3 201.314 0.135 20 0 BCADHO CCC[NH+]1CCC(NC(=O)C(C)(C)N)CC1 ZINC000040925191 169188103 /nfs/dbraw/zinc/18/81/03/169188103.db2.gz OIJGFXQCDQXYCK-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000040829686 169188398 /nfs/dbraw/zinc/18/83/98/169188398.db2.gz NBNSMKJNMGMLKU-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CCCN1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000373799137 169193352 /nfs/dbraw/zinc/19/33/52/169193352.db2.gz HGEUDIAFGWLZTP-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCCC[NH2+]C ZINC000120960316 169195212 /nfs/dbraw/zinc/19/52/12/169195212.db2.gz YBEXBYJAOPRQTJ-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCCCC[NH3+] ZINC000236764164 169195633 /nfs/dbraw/zinc/19/56/33/169195633.db2.gz XJGDEQPIWFSIIL-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)CC(N)=O ZINC000336775811 169196989 /nfs/dbraw/zinc/19/69/89/169196989.db2.gz CTHCGNUURKXJEL-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)CC(N)=O ZINC000336775811 169196991 /nfs/dbraw/zinc/19/69/91/169196991.db2.gz CTHCGNUURKXJEL-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(N)=O)C1 ZINC000336751238 169208678 /nfs/dbraw/zinc/20/86/78/169208678.db2.gz CESKDRMLDRUDRE-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(N)=O)C1 ZINC000336751238 169208680 /nfs/dbraw/zinc/20/86/80/169208680.db2.gz CESKDRMLDRUDRE-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000336751238 169208681 /nfs/dbraw/zinc/20/86/81/169208681.db2.gz CESKDRMLDRUDRE-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1CCCCN1 ZINC000236802867 169259403 /nfs/dbraw/zinc/25/94/03/169259403.db2.gz DDAWDSZDMWQNMY-SNVBAGLBSA-N 1 3 213.325 0.244 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000178834618 134315475 /nfs/dbraw/zinc/31/54/75/134315475.db2.gz PANRKCKJPVFITN-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000178834618 134315476 /nfs/dbraw/zinc/31/54/76/134315476.db2.gz PANRKCKJPVFITN-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000178818608 134315564 /nfs/dbraw/zinc/31/55/64/134315564.db2.gz VTEVNAGCTAXDQD-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](N)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000178818608 134315565 /nfs/dbraw/zinc/31/55/65/134315565.db2.gz VTEVNAGCTAXDQD-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098302 169389220 /nfs/dbraw/zinc/38/92/20/169389220.db2.gz SLVXPPQGIUUFKG-LLVKDONJSA-N 1 3 227.352 0.714 20 0 BCADHO c1ncn(CCN2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357074318 183548131 /nfs/dbraw/zinc/54/81/31/183548131.db2.gz FVNUYVGPTRNLMT-ZDUSSCGKSA-N 1 3 249.362 0.600 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@H]1[NH3+] ZINC000648124749 383844386 /nfs/dbraw/zinc/84/43/86/383844386.db2.gz BQPKTWLVLRGTTR-HBNTYKKESA-N 1 3 241.379 0.946 20 0 BCADHO CC[N@@H+]1CC[C@@H](NC[C@@H](O)COC)[C@@H](C)C1 ZINC000223730873 383845824 /nfs/dbraw/zinc/84/58/24/383845824.db2.gz MFRHOGXEXLBVKN-QJPTWQEYSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@@H](NC[C@@H](O)COC)[C@@H](C)C1 ZINC000223730873 383845827 /nfs/dbraw/zinc/84/58/27/383845827.db2.gz MFRHOGXEXLBVKN-QJPTWQEYSA-N 1 3 230.352 0.314 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CC[NH2+]C ZINC000069803207 383848964 /nfs/dbraw/zinc/84/89/64/383848964.db2.gz GGULXHLERNTQFO-BDAKNGLRSA-N 1 3 201.314 0.038 20 0 BCADHO CNCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000564654707 383919193 /nfs/dbraw/zinc/91/91/93/383919193.db2.gz CPDJMMLYMMHZCP-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC000113512747 383988596 /nfs/dbraw/zinc/98/85/96/383988596.db2.gz WPRWHKZKBINHQC-LBPRGKRZSA-N 1 3 222.336 0.767 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000113512747 383988599 /nfs/dbraw/zinc/98/85/99/383988599.db2.gz WPRWHKZKBINHQC-LBPRGKRZSA-N 1 3 222.336 0.767 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC000113512749 383988902 /nfs/dbraw/zinc/98/89/02/383988902.db2.gz WPRWHKZKBINHQC-GFCCVEGCSA-N 1 3 222.336 0.767 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCn2cccn2)C1 ZINC000113512749 383988905 /nfs/dbraw/zinc/98/89/05/383988905.db2.gz WPRWHKZKBINHQC-GFCCVEGCSA-N 1 3 222.336 0.767 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449358966 383971594 /nfs/dbraw/zinc/97/15/94/383971594.db2.gz HAMNSEAXTZXZCW-JOYOIKCWSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946082 383971984 /nfs/dbraw/zinc/97/19/84/383971984.db2.gz ZCHMETFJKSZINN-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946082 383971988 /nfs/dbraw/zinc/97/19/88/383971988.db2.gz ZCHMETFJKSZINN-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000300055632 383974807 /nfs/dbraw/zinc/97/48/07/383974807.db2.gz JASZTQHZGCOSBE-OUAUKWLOSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000163610653 384040578 /nfs/dbraw/zinc/04/05/78/384040578.db2.gz VLOLSRVVRZIDGS-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@]1(CNC(=O)[C@H](N)CC(F)F)CCC[NH2+]C1 ZINC000569456167 384062373 /nfs/dbraw/zinc/06/23/73/384062373.db2.gz VYNXCPNIJDFCFA-LDYMZIIASA-N 1 3 249.305 0.475 20 0 BCADHO C[NH2+]CCCN1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000517373048 384064886 /nfs/dbraw/zinc/06/48/86/384064886.db2.gz AHWSRIMKWCYFQZ-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000517373048 384064898 /nfs/dbraw/zinc/06/48/98/384064898.db2.gz AHWSRIMKWCYFQZ-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000517373048 384064903 /nfs/dbraw/zinc/06/49/03/384064903.db2.gz AHWSRIMKWCYFQZ-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CO[C@@H](CN)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158804 384082503 /nfs/dbraw/zinc/08/25/03/384082503.db2.gz HRCPZZQHJWABPM-JTQLQIEISA-N 1 3 248.286 0.842 20 0 BCADHO N[C@H](CNC(=O)CCCC[NH3+])c1ccccc1 ZINC000569482891 384107219 /nfs/dbraw/zinc/10/72/19/384107219.db2.gz XUYLPJJEVFUTGE-GFCCVEGCSA-N 1 3 235.331 0.932 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCCC2)CC[NH2+]1 ZINC000336550408 384108791 /nfs/dbraw/zinc/10/87/91/384108791.db2.gz HAPCHQDLOZTUQK-GHMZBOCLSA-N 1 3 239.363 0.905 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000129088594 384163715 /nfs/dbraw/zinc/16/37/15/384163715.db2.gz GDOBCKVFWZANEG-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C12CCCN1CCC2 ZINC000566213674 384223546 /nfs/dbraw/zinc/22/35/46/384223546.db2.gz AAMPYALOONCNTB-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC000560697726 384304777 /nfs/dbraw/zinc/30/47/77/384304777.db2.gz WBBWGXCRAGBIAT-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC000560697730 384306678 /nfs/dbraw/zinc/30/66/78/384306678.db2.gz WBBWGXCRAGBIAT-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCN1CCCC1=O ZINC000405429532 384317622 /nfs/dbraw/zinc/31/76/22/384317622.db2.gz IZPBSHAQFOLWQL-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000405429532 384317627 /nfs/dbraw/zinc/31/76/27/384317627.db2.gz IZPBSHAQFOLWQL-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]CCCC(=O)N1CCCN(C(C)C)CC1 ZINC000569578886 384283299 /nfs/dbraw/zinc/28/32/99/384283299.db2.gz BDAUDSVBZAFSLD-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000248504681 384345554 /nfs/dbraw/zinc/34/55/54/384345554.db2.gz VRRSODKSVUBIRP-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)CCOCCO)[C@H](C)C1 ZINC000174778956 384362698 /nfs/dbraw/zinc/36/26/98/384362698.db2.gz HVIRELVYBCESBY-OLZOCXBDSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)CCOCCO)[C@H](C)C1 ZINC000174778956 384362701 /nfs/dbraw/zinc/36/27/01/384362701.db2.gz HVIRELVYBCESBY-OLZOCXBDSA-N 1 3 244.379 0.657 20 0 BCADHO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000300396624 384368822 /nfs/dbraw/zinc/36/88/22/384368822.db2.gz GFPXIWWRYGCJON-ZRUFSTJUSA-N 1 3 232.393 0.816 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000300396624 384368828 /nfs/dbraw/zinc/36/88/28/384368828.db2.gz GFPXIWWRYGCJON-ZRUFSTJUSA-N 1 3 232.393 0.816 20 0 BCADHO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000300396623 384369084 /nfs/dbraw/zinc/36/90/84/384369084.db2.gz GFPXIWWRYGCJON-XWLWVQCSSA-N 1 3 232.393 0.816 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@H]1CCC[C@H]1C[NH3+] ZINC000300396623 384369090 /nfs/dbraw/zinc/36/90/90/384369090.db2.gz GFPXIWWRYGCJON-XWLWVQCSSA-N 1 3 232.393 0.816 20 0 BCADHO C[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCCN1 ZINC000237764077 384376068 /nfs/dbraw/zinc/37/60/68/384376068.db2.gz MIXMDEXLXUOKOB-WCQYABFASA-N 1 3 239.363 0.634 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CCCCC1 ZINC000069839971 384386907 /nfs/dbraw/zinc/38/69/07/384386907.db2.gz NKHLMGYXQNVPCO-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)N(C)C1CC1)[C@H](C)[NH3+] ZINC000249018770 384457395 /nfs/dbraw/zinc/45/73/95/384457395.db2.gz KKKUIRQKPRMSLH-AEJSXWLSSA-N 1 3 227.352 0.569 20 0 BCADHO CCC[C@H](C)[C@H](CO)NC[C@@H](O)C[N@H+](C)CC ZINC000568182544 384465406 /nfs/dbraw/zinc/46/54/06/384465406.db2.gz SIEWCHINXUGJPF-XQQFMLRXSA-N 1 3 246.395 0.686 20 0 BCADHO CCC[C@H](C)[C@H](CO)NC[C@@H](O)C[N@@H+](C)CC ZINC000568182544 384465412 /nfs/dbraw/zinc/46/54/12/384465412.db2.gz SIEWCHINXUGJPF-XQQFMLRXSA-N 1 3 246.395 0.686 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180393 384467305 /nfs/dbraw/zinc/46/73/05/384467305.db2.gz AKYPHWZYPCQZJX-RKDXNWHRSA-N 1 3 211.309 0.125 20 0 BCADHO CN(CC1CC[NH+](C)CC1)C(=O)C1(N)CCC1 ZINC000148275047 384467832 /nfs/dbraw/zinc/46/78/32/384467832.db2.gz KGBLXRHGQMECOX-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000036871059 384459016 /nfs/dbraw/zinc/45/90/16/384459016.db2.gz JFYPQDGEFGMGOO-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CN(C(=O)[C@H]1CNCCC1(F)F)C1CC([NH3+])C1 ZINC000648146730 384496021 /nfs/dbraw/zinc/49/60/21/384496021.db2.gz ASDADWBRYRIOGB-AMDVSUOASA-N 1 3 247.289 0.179 20 0 BCADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1C[C@@H]1N)CC[NH2+]CC2 ZINC000643844945 384535804 /nfs/dbraw/zinc/53/58/04/384535804.db2.gz IQNHICHIWXEDKL-MXWKQRLJSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1CCOC1 ZINC000354406196 384551130 /nfs/dbraw/zinc/55/11/30/384551130.db2.gz JTPULUJFMYVBIX-NWDGAFQWSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373039253 384551802 /nfs/dbraw/zinc/55/18/02/384551802.db2.gz BCEKZYUZCSYOOZ-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CCCCN(C)CCNC(=O)CCC[NH2+]C ZINC000236711427 384555208 /nfs/dbraw/zinc/55/52/08/384555208.db2.gz AQRRSRYTLWPPFU-UHFFFAOYSA-N 1 3 229.368 0.834 20 0 BCADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC ZINC000236749065 384569357 /nfs/dbraw/zinc/56/93/57/384569357.db2.gz QMXKXSXFAPIASS-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CNC ZINC000236749065 384569361 /nfs/dbraw/zinc/56/93/61/384569361.db2.gz QMXKXSXFAPIASS-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000236837376 384588710 /nfs/dbraw/zinc/58/87/10/384588710.db2.gz VDGPQVMGUABNHA-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000236842406 384588826 /nfs/dbraw/zinc/58/88/26/384588826.db2.gz GWXAIOVHMAQCHP-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000236842724 384588949 /nfs/dbraw/zinc/58/89/49/384588949.db2.gz IOGLUQNORGYFMR-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO N[C@H](CC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178806553 384617744 /nfs/dbraw/zinc/61/77/44/384617744.db2.gz QWVGOQCVOPZVNA-DGCLKSJQSA-N 1 3 247.342 0.884 20 0 BCADHO N[C@@H](CC(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178806561 384617959 /nfs/dbraw/zinc/61/79/59/384617959.db2.gz QWVGOQCVOPZVNA-YPMHNXCESA-N 1 3 247.342 0.884 20 0 BCADHO N[C@@H](CC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178806588 384618332 /nfs/dbraw/zinc/61/83/32/384618332.db2.gz QWVGOQCVOPZVNA-AAEUAGOBSA-N 1 3 247.342 0.884 20 0 BCADHO CC[C@H](N)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000036871813 384625813 /nfs/dbraw/zinc/62/58/13/384625813.db2.gz FPLXQTVOTIYLOJ-NSHDSACASA-N 1 3 227.352 0.666 20 0 BCADHO COC[C@@H](C)CNC[C@H](O)C[NH+]1CCCC1 ZINC000045695878 384664692 /nfs/dbraw/zinc/66/46/92/384664692.db2.gz WDKAXNKSKSYPSD-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000236874243 384724783 /nfs/dbraw/zinc/72/47/83/384724783.db2.gz IKYNDNUDLLEAKS-NEPJUHHUSA-N 1 3 241.379 0.770 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000236874243 384724793 /nfs/dbraw/zinc/72/47/93/384724793.db2.gz IKYNDNUDLLEAKS-NEPJUHHUSA-N 1 3 241.379 0.770 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368371907 384776459 /nfs/dbraw/zinc/77/64/59/384776459.db2.gz YPRFEQOEIKYLFC-LOWVWBTDSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@H](C[NH2+][C@H]1CCCC[C@H]1CN)OC ZINC000300386514 384744434 /nfs/dbraw/zinc/74/44/34/384744434.db2.gz ZDLVHQVBAORZDT-SRVKXCTJSA-N 1 3 230.352 0.755 20 0 BCADHO COC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])OC ZINC000300386514 384744441 /nfs/dbraw/zinc/74/44/41/384744441.db2.gz ZDLVHQVBAORZDT-SRVKXCTJSA-N 1 3 230.352 0.755 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156234 384749779 /nfs/dbraw/zinc/74/97/79/384749779.db2.gz KRSBHHPZMUYQFU-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH+](C)C[C@H]1CCCN1C(=O)CNC1CC1 ZINC000061645172 384754383 /nfs/dbraw/zinc/75/43/83/384754383.db2.gz ZHAGFUFXGPELBZ-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO C[NH+](C)C[C@@H]1CCCN1C(=O)CNC1CC1 ZINC000061645171 384755453 /nfs/dbraw/zinc/75/54/53/384755453.db2.gz ZHAGFUFXGPELBZ-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO CCN(CC)CC(=O)N(C)C1CC([NH3+])C1 ZINC000449629241 384761507 /nfs/dbraw/zinc/76/15/07/384761507.db2.gz FFPREWVADOBHFZ-UHFFFAOYSA-N 1 3 213.325 0.276 20 0 BCADHO Fc1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000083365052 384766788 /nfs/dbraw/zinc/76/67/88/384766788.db2.gz CLEJOJAVNHPQEH-UHFFFAOYSA-N 1 3 237.322 0.821 20 0 BCADHO C[C@H](CN[C@H]1CCO[C@H]1C)C[NH+](C)C ZINC000308575051 384823362 /nfs/dbraw/zinc/82/33/62/384823362.db2.gz MCWOREXRKRJMNR-VWYCJHECSA-N 1 3 200.326 0.951 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CCCn1ccnc1 ZINC000518200701 384789030 /nfs/dbraw/zinc/78/90/30/384789030.db2.gz PDSXHJJUKOORGD-LBPRGKRZSA-N 1 3 240.351 0.175 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)CCCn1ccnc1 ZINC000518200701 384789037 /nfs/dbraw/zinc/78/90/37/384789037.db2.gz PDSXHJJUKOORGD-LBPRGKRZSA-N 1 3 240.351 0.175 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)CCCn1ccnc1 ZINC000518200701 384789044 /nfs/dbraw/zinc/78/90/44/384789044.db2.gz PDSXHJJUKOORGD-LBPRGKRZSA-N 1 3 240.351 0.175 20 0 BCADHO CC[C@H](N)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000516649249 384805982 /nfs/dbraw/zinc/80/59/82/384805982.db2.gz FUYIHEPGIXQSBW-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205933 384840537 /nfs/dbraw/zinc/84/05/37/384840537.db2.gz PATMRZPAYXYNPJ-IUCAKERBSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648205931 384840626 /nfs/dbraw/zinc/84/06/26/384840626.db2.gz PATMRZPAYXYNPJ-BDAKNGLRSA-N 1 3 211.309 0.125 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648210160 384854422 /nfs/dbraw/zinc/85/44/22/384854422.db2.gz LJLCOSUETMLRSD-NSHDSACASA-N 1 3 237.347 0.529 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000257362117 384923297 /nfs/dbraw/zinc/92/32/97/384923297.db2.gz AEXFFJPCAWSWDI-ZRUFSTJUSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000257362117 384923304 /nfs/dbraw/zinc/92/33/04/384923304.db2.gz AEXFFJPCAWSWDI-ZRUFSTJUSA-N 1 3 223.320 0.077 20 0 BCADHO CSC[C@@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000127447778 384932651 /nfs/dbraw/zinc/93/26/51/384932651.db2.gz MUWNALJMKOMTBH-GHMZBOCLSA-N 1 3 232.393 0.784 20 0 BCADHO CC1(OCC(=O)Nc2cccc(C[NH3+])c2)CNC1 ZINC000647607564 384935673 /nfs/dbraw/zinc/93/56/73/384935673.db2.gz WXDYMCQGGWRLBD-UHFFFAOYSA-N 1 3 249.314 0.462 20 0 BCADHO C[C@H](CS(C)(=O)=O)[NH2+]CCCCN(C)C ZINC000081901009 384940850 /nfs/dbraw/zinc/94/08/50/384940850.db2.gz ZFPRDTIBZHZVIO-SNVBAGLBSA-N 1 3 236.381 0.351 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000156742041 384944386 /nfs/dbraw/zinc/94/43/86/384944386.db2.gz IVOOXPXOLGONRH-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000339194046 384973774 /nfs/dbraw/zinc/97/37/74/384973774.db2.gz QXWQPMHMAGQKTA-WSMDXJOWSA-N 1 3 212.337 0.924 20 0 BCADHO C[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339194046 384973778 /nfs/dbraw/zinc/97/37/78/384973778.db2.gz QXWQPMHMAGQKTA-WSMDXJOWSA-N 1 3 212.337 0.924 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1 ZINC000226396537 385006478 /nfs/dbraw/zinc/00/64/78/385006478.db2.gz OMWRWJZMLODALI-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1 ZINC000226396537 385006487 /nfs/dbraw/zinc/00/64/87/385006487.db2.gz OMWRWJZMLODALI-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCN(CCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000226397559 385007384 /nfs/dbraw/zinc/00/73/84/385007384.db2.gz OSYZMYDNTGPFOO-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000226394896 385008681 /nfs/dbraw/zinc/00/86/81/385008681.db2.gz AUGYUSCLOPLOFF-ZYHUDNBSSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000226399626 385009281 /nfs/dbraw/zinc/00/92/81/385009281.db2.gz XOAAQPXVQOIIHW-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129779403 385011157 /nfs/dbraw/zinc/01/11/57/385011157.db2.gz LMCBDJDJOIDCDV-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CNCCC1(F)F ZINC000647640672 385070965 /nfs/dbraw/zinc/07/09/65/385070965.db2.gz YBYITBLRIMAYRR-DTWKUNHWSA-N 1 3 247.289 0.099 20 0 BCADHO CC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000308764104 385081864 /nfs/dbraw/zinc/08/18/64/385081864.db2.gz ZOOPTECBLOQZNN-SNVBAGLBSA-N 1 3 200.326 0.831 20 0 BCADHO N[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000646985256 385111773 /nfs/dbraw/zinc/11/17/73/385111773.db2.gz VIDZKSLIMPXVOL-QWRGUYRKSA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CC[C@H]1[NH3+] ZINC000647015036 385141538 /nfs/dbraw/zinc/14/15/38/385141538.db2.gz FWPNTEZBARMFRR-MXWKQRLJSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)[C@H](NCCOCC(F)F)C[C@@H]1[NH3+] ZINC000404882358 385141773 /nfs/dbraw/zinc/14/17/73/385141773.db2.gz GQSAQRUUAHUNIP-JGVFFNPUSA-N 1 3 222.279 0.984 20 0 BCADHO CC1(C)[C@H]([NH2+]CCOCC(F)F)C[C@@H]1N ZINC000404882358 385141779 /nfs/dbraw/zinc/14/17/79/385141779.db2.gz GQSAQRUUAHUNIP-JGVFFNPUSA-N 1 3 222.279 0.984 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988416 385120554 /nfs/dbraw/zinc/12/05/54/385120554.db2.gz PBPHBWOQKLNEDF-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991670 385125739 /nfs/dbraw/zinc/12/57/39/385125739.db2.gz JSGYIHAAXXDNEK-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998225 385130446 /nfs/dbraw/zinc/13/04/46/385130446.db2.gz XDEOIXQATKPDOD-BWZBUEFSSA-N 1 3 235.278 0.355 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646998185 385131369 /nfs/dbraw/zinc/13/13/69/385131369.db2.gz UIMYXVDWPUCYOF-IVZWLZJFSA-N 1 3 225.336 0.371 20 0 BCADHO COCCOCCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000404887990 385138087 /nfs/dbraw/zinc/13/80/87/385138087.db2.gz JRULVOSNHZZWDG-UWVGGRQHSA-N 1 3 216.325 0.365 20 0 BCADHO COCCOCC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404887990 385138095 /nfs/dbraw/zinc/13/80/95/385138095.db2.gz JRULVOSNHZZWDG-UWVGGRQHSA-N 1 3 216.325 0.365 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000647015976 385139496 /nfs/dbraw/zinc/13/94/96/385139496.db2.gz ISTFQGUNSMAYSV-GUBZILKMSA-N 1 3 225.336 0.241 20 0 BCADHO CN1CCC(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000564956890 385191170 /nfs/dbraw/zinc/19/11/70/385191170.db2.gz XOZRFBMMXAYXRR-NEPJUHHUSA-N 1 3 237.347 0.149 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000647023223 385155902 /nfs/dbraw/zinc/15/59/02/385155902.db2.gz SVFYOBSCTHZREP-MWLCHTKSSA-N 1 3 221.304 0.192 20 0 BCADHO c1c([C@@H]2CCC[NH2+]C2)nnn1CCN1CCCC1 ZINC000404916177 385173749 /nfs/dbraw/zinc/17/37/49/385173749.db2.gz GUESSQNBWHXYHM-GFCCVEGCSA-N 1 3 249.362 0.841 20 0 BCADHO C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000333138456 385210047 /nfs/dbraw/zinc/21/00/47/385210047.db2.gz CRHFCXFVPZVQMZ-NXEZZACHSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)(N)C[N@H+](CCCCO)C1CC1 ZINC000308853189 385214649 /nfs/dbraw/zinc/21/46/49/385214649.db2.gz RYYAJMRSLNRADD-UHFFFAOYSA-N 1 3 200.326 0.961 20 0 BCADHO CC(C)(N)C[N@@H+](CCCCO)C1CC1 ZINC000308853189 385214656 /nfs/dbraw/zinc/21/46/56/385214656.db2.gz RYYAJMRSLNRADD-UHFFFAOYSA-N 1 3 200.326 0.961 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000157573205 385215405 /nfs/dbraw/zinc/21/54/05/385215405.db2.gz OLHAURJSIMLMOQ-GFCCVEGCSA-N 1 3 239.363 0.811 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364176804 385219226 /nfs/dbraw/zinc/21/92/26/385219226.db2.gz PKQNPQVSTRPFNS-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000647073634 385231438 /nfs/dbraw/zinc/23/14/38/385231438.db2.gz ITAOFGDVZSOPQA-AXFHLTTASA-N 1 3 239.363 0.761 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000647076285 385234607 /nfs/dbraw/zinc/23/46/07/385234607.db2.gz HQMDMCNIDYUHFX-MRVPVSSYSA-N 1 3 235.278 0.099 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C1(N)CCCCC1 ZINC000309367142 385243288 /nfs/dbraw/zinc/24/32/88/385243288.db2.gz BKUWWTVGBUFHOR-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000647082972 385244411 /nfs/dbraw/zinc/24/44/11/385244411.db2.gz XNUJWQMSUVPFIO-IVZWLZJFSA-N 1 3 225.336 0.228 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000647082974 385244436 /nfs/dbraw/zinc/24/44/36/385244436.db2.gz XNUJWQMSUVPFIO-LPEHRKFASA-N 1 3 225.336 0.228 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178589316 385304058 /nfs/dbraw/zinc/30/40/58/385304058.db2.gz YYXZIYHYZXFPNO-ZJUUUORDSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000157926073 385313451 /nfs/dbraw/zinc/31/34/51/385313451.db2.gz NBTGIKMMBQHYPW-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO Cn1ccnc1CNCCCC[NH+](C)C ZINC000045698395 385278859 /nfs/dbraw/zinc/27/88/59/385278859.db2.gz FSDOQBPFUVTKQV-UHFFFAOYSA-N 1 3 210.325 0.852 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648152368 385292686 /nfs/dbraw/zinc/29/26/86/385292686.db2.gz SZVSNPMAAPITJO-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@]1(F)CCNC1 ZINC000364261310 385301617 /nfs/dbraw/zinc/30/16/17/385301617.db2.gz VYLQWTQAKJVVMF-NSHDSACASA-N 1 3 231.315 0.146 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1cn[nH]c1 ZINC000309009023 385358727 /nfs/dbraw/zinc/35/87/27/385358727.db2.gz OHJNQYHJDQDRHQ-GXSJLCMTSA-N 1 3 208.309 0.621 20 0 BCADHO C[NH+](C)CCN(CC1CCCCC1)C(=O)CN ZINC000076624080 385361479 /nfs/dbraw/zinc/36/14/79/385361479.db2.gz MMBLYCSHANGCCD-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000178404074 385366636 /nfs/dbraw/zinc/36/66/36/385366636.db2.gz QTGJJULPJBMTDG-CHWSQXEVSA-N 1 3 247.342 0.425 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178405354 385367425 /nfs/dbraw/zinc/36/74/25/385367425.db2.gz PZSOWNOOFPTANV-CHWSQXEVSA-N 1 3 247.342 0.364 20 0 BCADHO C[C@@H]([NH3+])CCNC(=O)[C@]1(C)CCCCN1 ZINC000180896594 385397107 /nfs/dbraw/zinc/39/71/07/385397107.db2.gz ZFVBTQZANSDKTI-KOLCDFICSA-N 1 3 213.325 0.372 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)C ZINC000155666671 385404133 /nfs/dbraw/zinc/40/41/33/385404133.db2.gz BCFKYPWYVIENES-DGCLKSJQSA-N 1 3 239.363 0.539 20 0 BCADHO NC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000179104177 385441061 /nfs/dbraw/zinc/44/10/61/385441061.db2.gz AFDSNTHGKAXDGQ-QWHCGFSZSA-N 1 3 247.342 0.597 20 0 BCADHO O=C(CN1CCC2(CC[NH2+]C2)CC1)NC1CC1 ZINC000336127236 385457272 /nfs/dbraw/zinc/45/72/72/385457272.db2.gz SCCXASXOGUPJSV-UHFFFAOYSA-N 1 3 237.347 0.341 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1CNCCC1(F)F ZINC000644083136 385432330 /nfs/dbraw/zinc/43/23/30/385432330.db2.gz VFPNGFWYFDQCSK-DTWKUNHWSA-N 1 3 247.289 0.099 20 0 BCADHO O=C(NCC[NH2+]C1CC1)[C@@H]1CNCCC1(F)F ZINC000644084228 385433513 /nfs/dbraw/zinc/43/35/13/385433513.db2.gz NVDPSNWTJGTKBW-VIFPVBQESA-N 1 3 247.289 0.099 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1NCC1(C)C ZINC000644100468 385473939 /nfs/dbraw/zinc/47/39/39/385473939.db2.gz DYHYHBXCTMLORP-OPRDCNLKSA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@@]1([NH2+]C[C@@H](O)CN(C)C(C)C)CCOC1 ZINC000378736173 385480786 /nfs/dbraw/zinc/48/07/86/385480786.db2.gz GGVYBIXAQMQDTM-CHWSQXEVSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000644115467 385493719 /nfs/dbraw/zinc/49/37/19/385493719.db2.gz WKUGXGZOWYKBQF-OPRDCNLKSA-N 1 3 225.336 0.099 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000644127317 385508469 /nfs/dbraw/zinc/50/84/69/385508469.db2.gz OHSWIQPNTJIHRB-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000644131446 385512327 /nfs/dbraw/zinc/51/23/27/385512327.db2.gz FBTNMXCYUFAORF-NXEZZACHSA-N 1 3 239.363 0.489 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000644131449 385512555 /nfs/dbraw/zinc/51/25/55/385512555.db2.gz FBTNMXCYUFAORF-ZJUUUORDSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)NC1CC1 ZINC000449072879 385513181 /nfs/dbraw/zinc/51/31/81/385513181.db2.gz HBCGMZBKSHIPPM-JFGNBEQYSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)NC1CC1 ZINC000449072880 385513754 /nfs/dbraw/zinc/51/37/54/385513754.db2.gz HBCGMZBKSHIPPM-NHCYSSNCSA-N 1 3 239.363 0.855 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000644149204 385544467 /nfs/dbraw/zinc/54/44/67/385544467.db2.gz KMIKGAXCBLXZEF-AXFHLTTASA-N 1 3 237.347 0.195 20 0 BCADHO CN1CCC(O)(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000309416681 385575049 /nfs/dbraw/zinc/57/50/49/385575049.db2.gz CTSSHKSZYBQESE-NSHDSACASA-N 1 3 244.404 0.786 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000309451056 385585475 /nfs/dbraw/zinc/58/54/75/385585475.db2.gz MQHJZGMYNYXLLS-SECBINFHSA-N 1 3 215.341 0.413 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+]C1CCNCC1 ZINC000334615531 385589868 /nfs/dbraw/zinc/58/98/68/385589868.db2.gz KHLKOOGNCZCFLW-VIFPVBQESA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@H]1CNC1CC[NH2+]CC1 ZINC000334615531 385589870 /nfs/dbraw/zinc/58/98/70/385589870.db2.gz KHLKOOGNCZCFLW-VIFPVBQESA-N 1 3 233.306 0.573 20 0 BCADHO CCN(C)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054293019 385612101 /nfs/dbraw/zinc/61/21/01/385612101.db2.gz MBMVZPRGMOBATL-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CCC[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000309509972 385644712 /nfs/dbraw/zinc/64/47/12/385644712.db2.gz XACXLMJKTUDZLD-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H](NC(=O)C(C)(C)N)[C@H]1CCC[NH2+]C1 ZINC000309512120 385647301 /nfs/dbraw/zinc/64/73/01/385647301.db2.gz XPYZBZPQRJRABX-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCC[NH+]1CCCC1 ZINC000336684462 385671859 /nfs/dbraw/zinc/67/18/59/385671859.db2.gz ZMAHAAJEGDSQCB-MRVPVSSYSA-N 1 3 235.278 0.181 20 0 BCADHO C[NH+]1CCC(O)(CNCc2cncs2)CC1 ZINC000309544311 385679664 /nfs/dbraw/zinc/67/96/64/385679664.db2.gz GNRSFCIFXIZEPM-UHFFFAOYSA-N 1 3 241.360 0.689 20 0 BCADHO C[C@H](C[NH2+]C1CCN(C)CC1)CN(C)C ZINC000336685215 385683971 /nfs/dbraw/zinc/68/39/71/385683971.db2.gz KPGUCINXASEHKU-LLVKDONJSA-N 1 3 213.369 0.868 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000061645204 385742053 /nfs/dbraw/zinc/74/20/53/385742053.db2.gz XEQMVDPINSLPSQ-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO CN1CCC(C(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000340133040 385743450 /nfs/dbraw/zinc/74/34/50/385743450.db2.gz DEIOLEBCUUINPB-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000186812031 385799203 /nfs/dbraw/zinc/79/92/03/385799203.db2.gz NPRVIAIRUDJRLB-KXUCPTDWSA-N 1 3 227.352 0.474 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000261615312 385825859 /nfs/dbraw/zinc/82/58/59/385825859.db2.gz AQBNACFAHFWVOL-ZYHUDNBSSA-N 1 3 235.331 0.801 20 0 BCADHO N[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000261641854 385827515 /nfs/dbraw/zinc/82/75/15/385827515.db2.gz DSYXWGJIFXNVBJ-NEPJUHHUSA-N 1 3 233.315 0.555 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000638114144 385848736 /nfs/dbraw/zinc/84/87/36/385848736.db2.gz HLDBLCCNLJHGQV-AXFHLTTASA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000262518522 385854250 /nfs/dbraw/zinc/85/42/50/385854250.db2.gz HMWADAHRFQJFED-NHCYSSNCSA-N 1 3 235.331 0.786 20 0 BCADHO C[N@H+](CCc1cn[nH]c1)C1CCNCC1 ZINC000308984104 385928630 /nfs/dbraw/zinc/92/86/30/385928630.db2.gz GAEQBPGAOXOVRJ-UHFFFAOYSA-N 1 3 208.309 0.636 20 0 BCADHO C[N@@H+](CCc1cn[nH]c1)C1CCNCC1 ZINC000308984104 385928633 /nfs/dbraw/zinc/92/86/33/385928633.db2.gz GAEQBPGAOXOVRJ-UHFFFAOYSA-N 1 3 208.309 0.636 20 0 BCADHO C[C@@H]1NCCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1C ZINC000262827704 385892144 /nfs/dbraw/zinc/89/21/44/385892144.db2.gz UJJTXRYHJQRMBA-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO COC(C)(C)[C@@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000340200708 385902739 /nfs/dbraw/zinc/90/27/39/385902739.db2.gz RDDJKOZQFVZQHE-NEPJUHHUSA-N 1 3 244.379 0.846 20 0 BCADHO [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000647732616 385864284 /nfs/dbraw/zinc/86/42/84/385864284.db2.gz PRRQZTKYLNDHPO-BDAKNGLRSA-N 1 3 247.289 0.038 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000647830516 385873098 /nfs/dbraw/zinc/87/30/98/385873098.db2.gz NBWYHVCQDGGOQT-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H](C[NH2+]C)C1 ZINC000647836862 385882211 /nfs/dbraw/zinc/88/22/11/385882211.db2.gz MXRILZMJOXSWSK-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC1CC[NH+](CC(=O)N2CCNC[C@H]2C)CC1 ZINC000335020182 385980005 /nfs/dbraw/zinc/98/00/05/385980005.db2.gz BPQGQUKBXUKLRY-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH+](CC)CCCNC(C)(C)CC(N)=O ZINC000336769670 385988060 /nfs/dbraw/zinc/98/80/60/385988060.db2.gz SFBWDFNAOHIJRC-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CCN(CC)CCC[NH2+]C(C)(C)CC(N)=O ZINC000336769670 385988069 /nfs/dbraw/zinc/98/80/69/385988069.db2.gz SFBWDFNAOHIJRC-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000295185942 385988891 /nfs/dbraw/zinc/98/88/91/385988891.db2.gz IEVKSNIGUJNRNX-NEPJUHHUSA-N 1 3 235.331 0.410 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000295214209 385992873 /nfs/dbraw/zinc/99/28/73/385992873.db2.gz LYRWLQCNZHIDLK-VXGBXAGGSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000335042633 385935455 /nfs/dbraw/zinc/93/54/55/385935455.db2.gz FFEYRCDGRWAQPB-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000335051644 385948809 /nfs/dbraw/zinc/94/88/09/385948809.db2.gz STVCZEHDFXWFSA-WDEREUQCSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCC1(O)CCC1 ZINC000335051644 385948814 /nfs/dbraw/zinc/94/88/14/385948814.db2.gz STVCZEHDFXWFSA-WDEREUQCSA-N 1 3 212.337 0.879 20 0 BCADHO CN(C)C(=O)CCN1CCC(C)([NH3+])CC1 ZINC000647924325 385948952 /nfs/dbraw/zinc/94/89/52/385948952.db2.gz YGWFIVBSALHOKB-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000295072648 385959051 /nfs/dbraw/zinc/95/90/51/385959051.db2.gz HMWADAHRFQJFED-SCVCMEIPSA-N 1 3 235.331 0.786 20 0 BCADHO [NH3+]C1(CNC(=O)C23CCCN2CCC3)CCC1 ZINC000335059290 385961764 /nfs/dbraw/zinc/96/17/64/385961764.db2.gz WVJXOENDKMPBCG-UHFFFAOYSA-N 1 3 237.347 0.612 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365228857 385965707 /nfs/dbraw/zinc/96/57/07/385965707.db2.gz USBFYTMMUQJWGI-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](C[NH3+])CNCc1ccc(-n2cncn2)cc1 ZINC000414880523 385972576 /nfs/dbraw/zinc/97/25/76/385972576.db2.gz QWPGLOHBYMCGOT-NSHDSACASA-N 1 3 245.330 0.952 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000295267823 386002742 /nfs/dbraw/zinc/00/27/42/386002742.db2.gz RVJZAKVSSCEXPX-RYUDHWBXSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@H]1CNCCN1C ZINC000414976085 386015958 /nfs/dbraw/zinc/01/59/58/386015958.db2.gz NJNYYCCDTHKHHK-JHJVBQTASA-N 1 3 240.395 0.010 20 0 BCADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)[C@H]2CCN2)C1 ZINC000335064138 386034467 /nfs/dbraw/zinc/03/44/67/386034467.db2.gz WXSFWSUJCGAALW-WDEREUQCSA-N 1 3 231.299 0.265 20 0 BCADHO COC[C@@H](C)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000345169923 386037464 /nfs/dbraw/zinc/03/74/64/386037464.db2.gz VPGIGPMKGSXAKF-GFCCVEGCSA-N 1 3 244.379 0.846 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000345293101 386092926 /nfs/dbraw/zinc/09/29/26/386092926.db2.gz DVBXVWYJXQINGC-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000345293101 386092931 /nfs/dbraw/zinc/09/29/31/386092931.db2.gz DVBXVWYJXQINGC-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC(C)([NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000334473688 386146925 /nfs/dbraw/zinc/14/69/25/386146925.db2.gz JTRQWMZGGASQMO-LBPRGKRZSA-N 1 3 247.342 0.727 20 0 BCADHO COCCNCCN[C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000414892431 386147755 /nfs/dbraw/zinc/14/77/55/386147755.db2.gz XAXPTQDRQKJTHB-NWDGAFQWSA-N 1 3 229.368 0.343 20 0 BCADHO CC(C)N(CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414677803 386157029 /nfs/dbraw/zinc/15/70/29/386157029.db2.gz JTFVWQXOFBKMNZ-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@]1(CNC[C@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993206 386166257 /nfs/dbraw/zinc/16/62/57/386166257.db2.gz CGJQVYHPTYOMMR-MNOVXSKESA-N 1 3 247.333 0.820 20 0 BCADHO CC[C@H](N)c1cn(C[C@@H](O)C[N@H+](C)CC)nn1 ZINC000310315110 386173474 /nfs/dbraw/zinc/17/34/74/386173474.db2.gz XIFFNPRRHJPJGR-UWVGGRQHSA-N 1 3 241.339 0.001 20 0 BCADHO CC[C@H](N)c1cn(C[C@@H](O)C[N@@H+](C)CC)nn1 ZINC000310315110 386173480 /nfs/dbraw/zinc/17/34/80/386173480.db2.gz XIFFNPRRHJPJGR-UWVGGRQHSA-N 1 3 241.339 0.001 20 0 BCADHO CCN(CCNC(=O)N1CC[C@@H]([NH3+])C1)C1CC1 ZINC000417484770 386131168 /nfs/dbraw/zinc/13/11/68/386131168.db2.gz LAOVPXONTIFJSJ-SNVBAGLBSA-N 1 3 240.351 0.213 20 0 BCADHO COC(=O)CCN(CCC[NH3+])C(C)C ZINC000414697031 386203138 /nfs/dbraw/zinc/20/31/38/386203138.db2.gz POMCTYDIWLDCHL-UHFFFAOYSA-N 1 3 202.298 0.609 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873253 386258267 /nfs/dbraw/zinc/25/82/67/386258267.db2.gz HFNDKUBMEPMVOU-UTUOFQBUSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873253 386258272 /nfs/dbraw/zinc/25/82/72/386258272.db2.gz HFNDKUBMEPMVOU-UTUOFQBUSA-N 1 3 239.363 0.713 20 0 BCADHO CCCCN(CC(N)=O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414694715 386193611 /nfs/dbraw/zinc/19/36/11/386193611.db2.gz DQMGTCHPBOYWDU-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000236647954 386296599 /nfs/dbraw/zinc/29/65/99/386296599.db2.gz FNKZGGQGDWXPEG-LLVKDONJSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000336670414 386316038 /nfs/dbraw/zinc/31/60/38/386316038.db2.gz GQCHMTOWOYCCJO-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004084 386317794 /nfs/dbraw/zinc/31/77/94/386317794.db2.gz LFPWFBTZUGEKSG-WOPDTQHZSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092004084 386317804 /nfs/dbraw/zinc/31/78/04/386317804.db2.gz LFPWFBTZUGEKSG-WOPDTQHZSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000336683205 386345554 /nfs/dbraw/zinc/34/55/54/386345554.db2.gz JPNQICYHIAHXNE-NWDGAFQWSA-N 1 3 214.353 0.887 20 0 BCADHO C[C@H](CNC(=O)NC[C@@H](C)C[NH3+])N(C)C1CC1 ZINC000417547078 386348567 /nfs/dbraw/zinc/34/85/67/386348567.db2.gz GNWRBISWPXJGPU-VHSXEESVSA-N 1 3 242.367 0.363 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417552509 386358170 /nfs/dbraw/zinc/35/81/70/386358170.db2.gz RLORQQOLYMAAOS-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347375113 386371041 /nfs/dbraw/zinc/37/10/41/386371041.db2.gz SPEAVMQJCKTBCH-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000112926165 386371078 /nfs/dbraw/zinc/37/10/78/386371078.db2.gz KEOHANAPRNOQCV-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000112926165 386371083 /nfs/dbraw/zinc/37/10/83/386371083.db2.gz KEOHANAPRNOQCV-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262566396 386331461 /nfs/dbraw/zinc/33/14/61/386331461.db2.gz DIJJLRJPVZJVGB-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335276664 386339456 /nfs/dbraw/zinc/33/94/56/386339456.db2.gz PLEQDPXFKGIJRZ-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CNC(=O)CCC[NH3+])N(C)C1CC1 ZINC000226399587 386396102 /nfs/dbraw/zinc/39/61/02/386396102.db2.gz PLOZGIAOCOWOHE-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CCOCCN1CCN(C[C@H](C)[NH3+])C[C@@H]1CC ZINC000442664857 386415748 /nfs/dbraw/zinc/41/57/48/386415748.db2.gz XMSGEIHRKMWOCC-STQMWFEESA-N 1 3 243.395 0.766 20 0 BCADHO C[C@H]([NH3+])CN1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000442665602 386417242 /nfs/dbraw/zinc/41/72/42/386417242.db2.gz NEPYRVYGHWWYAT-RYUDHWBXSA-N 1 3 241.379 0.519 20 0 BCADHO COC(=O)[C@H]1CCN(CCC[NH3+])[C@@H]1C ZINC000414761982 386420721 /nfs/dbraw/zinc/42/07/21/386420721.db2.gz VEHRTEGNMJMTSK-BDAKNGLRSA-N 1 3 200.282 0.219 20 0 BCADHO COC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339426413 386421470 /nfs/dbraw/zinc/42/14/70/386421470.db2.gz LORLQAZYWFVHDG-STQMWFEESA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339426413 386421474 /nfs/dbraw/zinc/42/14/74/386421474.db2.gz LORLQAZYWFVHDG-STQMWFEESA-N 1 3 242.363 0.411 20 0 BCADHO CCN(C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134557194 386424132 /nfs/dbraw/zinc/42/41/32/386424132.db2.gz FNYPHAAYWYUUIC-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CCN(C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134557171 386424300 /nfs/dbraw/zinc/42/43/00/386424300.db2.gz FNYPHAAYWYUUIC-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000519402957 386430019 /nfs/dbraw/zinc/43/00/19/386430019.db2.gz MGPLAEDULRTXIL-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[NH3+] ZINC000417017015 386432717 /nfs/dbraw/zinc/43/27/17/386432717.db2.gz GNPHTBPSSSZVLC-NSHDSACASA-N 1 3 242.367 0.509 20 0 BCADHO O[C@@H]1C[NH2+]C[C@H]1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414773451 386466455 /nfs/dbraw/zinc/46/64/55/386466455.db2.gz AKJNNQWATMFGBP-LJISPDSOSA-N 1 3 246.354 0.960 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000417276949 386470286 /nfs/dbraw/zinc/47/02/86/386470286.db2.gz FOCFDDOHPOSSAH-LPEHRKFASA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](NC(=O)NC[C@H]1CCCN1C)[C@H](C)[NH3+] ZINC000417276948 386470387 /nfs/dbraw/zinc/47/03/87/386470387.db2.gz FOCFDDOHPOSSAH-IVZWLZJFSA-N 1 3 228.340 0.116 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000417284980 386474121 /nfs/dbraw/zinc/47/41/21/386474121.db2.gz KUNOOZNLAPPUAP-WDEREUQCSA-N 1 3 242.367 0.363 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000417285368 386476443 /nfs/dbraw/zinc/47/64/43/386476443.db2.gz LKMCPDMLGXTMTR-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCc2ccccc2[C@H]1CN ZINC000335426864 386479737 /nfs/dbraw/zinc/47/97/37/386479737.db2.gz CTWSABBVTMNCDH-ZWNOBZJWSA-N 1 3 247.342 0.808 20 0 BCADHO C[NH2+]CC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000335428601 386484671 /nfs/dbraw/zinc/48/46/71/386484671.db2.gz ISNHTUCEFWJHIG-LBPRGKRZSA-N 1 3 233.315 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000335432889 386490622 /nfs/dbraw/zinc/49/06/22/386490622.db2.gz FEQXBBBEZXQELS-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335432889 386490626 /nfs/dbraw/zinc/49/06/26/386490626.db2.gz FEQXBBBEZXQELS-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CC[C@@H]1C[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415033983 386522252 /nfs/dbraw/zinc/52/22/52/386522252.db2.gz JHSNZXJHHCWQGD-OBPIAQAESA-N 1 3 224.348 0.999 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCO[C@H]21 ZINC000415037286 386524542 /nfs/dbraw/zinc/52/45/42/386524542.db2.gz MVAGDSPGYVONFW-PQTSNVLCSA-N 1 3 222.332 0.607 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000399205528 386454358 /nfs/dbraw/zinc/45/43/58/386454358.db2.gz OSCZDTKRYNDWPM-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CN(C(=O)[C@@]1(C)CC[NH2+]C1)C1CCN(C)CC1 ZINC000062889021 386528208 /nfs/dbraw/zinc/52/82/08/386528208.db2.gz PPSQZIKLUKXKLW-ZDUSSCGKSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](CNC(=O)C1(C)C[NH2+]C1)N(C)C1CC1 ZINC000399222746 386460567 /nfs/dbraw/zinc/46/05/67/386460567.db2.gz WNSLAGJOLIZJRM-SECBINFHSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403709 386464301 /nfs/dbraw/zinc/46/43/01/386464301.db2.gz HOZUDCICINUDKJ-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403709 386464307 /nfs/dbraw/zinc/46/43/07/386464307.db2.gz HOZUDCICINUDKJ-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO N[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)C1CCC1 ZINC000335410731 386574147 /nfs/dbraw/zinc/57/41/47/386574147.db2.gz SUFDHZUUJNRZAG-MWLCHTKSSA-N 1 3 225.336 0.311 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000647779140 386574770 /nfs/dbraw/zinc/57/47/70/386574770.db2.gz RHJZVFFNHMDGMN-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000647779141 386576202 /nfs/dbraw/zinc/57/62/02/386576202.db2.gz RHJZVFFNHMDGMN-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CN(CCNC(=O)[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000062910528 386532038 /nfs/dbraw/zinc/53/20/38/386532038.db2.gz VCFVIRFWTYHUAN-LBPRGKRZSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@H]1C[C@@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415059477 386540825 /nfs/dbraw/zinc/54/08/25/386540825.db2.gz JHSNZXJHHCWQGD-JZRPKSSGSA-N 1 3 224.348 0.999 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000519712141 386543082 /nfs/dbraw/zinc/54/30/82/386543082.db2.gz LJARQLKHFWYJFQ-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000519712152 386543542 /nfs/dbraw/zinc/54/35/42/386543542.db2.gz LJARQLKHFWYJFQ-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000335464751 386550693 /nfs/dbraw/zinc/55/06/93/386550693.db2.gz METUWCLVXVMRKB-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCC2)CC[N@H+]1C ZINC000335464751 386550698 /nfs/dbraw/zinc/55/06/98/386550698.db2.gz METUWCLVXVMRKB-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]1CCN(CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000300018118 386555461 /nfs/dbraw/zinc/55/54/61/386555461.db2.gz UZTIIHPDGZEECP-NWDGAFQWSA-N 1 3 236.363 0.879 20 0 BCADHO CO[C@@H](CN)C(=O)NCC1([NH3+])CCCCCC1 ZINC000353189937 386556790 /nfs/dbraw/zinc/55/67/90/386556790.db2.gz NYTKOSWCCNYOJI-JTQLQIEISA-N 1 3 243.351 0.128 20 0 BCADHO CN(CCNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000061995840 386558526 /nfs/dbraw/zinc/55/85/26/386558526.db2.gz CYFLLLDWWVUAQS-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136194217 386570070 /nfs/dbraw/zinc/57/00/70/386570070.db2.gz UVICVZVRUOCXCM-CYBMUJFWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNC2 ZINC000335497159 386620755 /nfs/dbraw/zinc/62/07/55/386620755.db2.gz WXCWVEIHSWCWLK-QMMMGPOBSA-N 1 3 219.288 0.823 20 0 BCADHO CC[C@]1(C(=O)NCCN(C)C)CC[NH2+]C1 ZINC000062887315 386631701 /nfs/dbraw/zinc/63/17/01/386631701.db2.gz YXEFDVNCTVMRHM-NSHDSACASA-N 1 3 213.325 0.054 20 0 BCADHO COC(=O)[C@]1(C)CCCN(CCC[NH3+])C1 ZINC000415139578 386636667 /nfs/dbraw/zinc/63/66/67/386636667.db2.gz LSCVVYKIYVWPQA-LLVKDONJSA-N 1 3 214.309 0.610 20 0 BCADHO C[C@@H](O)[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143272 386639643 /nfs/dbraw/zinc/63/96/43/386639643.db2.gz SMZHTHSANMEWOX-LPWJVIDDSA-N 1 3 242.363 0.456 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366496872 386601986 /nfs/dbraw/zinc/60/19/86/386601986.db2.gz KURLBDPVAZLQPB-SRVKXCTJSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)C12CCCN1CCC2 ZINC000335487603 386602940 /nfs/dbraw/zinc/60/29/40/386602940.db2.gz QERMEGMBFZRDGO-SNVBAGLBSA-N 1 3 223.320 0.093 20 0 BCADHO CC(C)(C)[C@H](O)CNC[C@@]1(C)CC[NH2+]C1 ZINC000415090464 386611489 /nfs/dbraw/zinc/61/14/89/386611489.db2.gz OXOKRGSOSFFATE-PWSUYJOCSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000335520508 386659912 /nfs/dbraw/zinc/65/99/12/386659912.db2.gz FJEFBDXMHUYBQV-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000062972550 386668183 /nfs/dbraw/zinc/66/81/83/386668183.db2.gz RNWQBLBLRWLBGO-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185089200 386669310 /nfs/dbraw/zinc/66/93/10/386669310.db2.gz RMXFKBHAUMKELA-QJPTWQEYSA-N 1 3 239.363 0.524 20 0 BCADHO CC(C)(C[NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335526140 386671705 /nfs/dbraw/zinc/67/17/05/386671705.db2.gz VQQJFMGMQAZPES-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000520579458 386701498 /nfs/dbraw/zinc/70/14/98/386701498.db2.gz WHWAZAOJVBOIDO-VXGBXAGGSA-N 1 3 227.352 0.701 20 0 BCADHO CC[C@]1(C(=O)NCCN(C)C2CC2)CCC[NH2+]1 ZINC000122094467 386734792 /nfs/dbraw/zinc/73/47/92/386734792.db2.gz NRFQOGPUQCOZPI-CYBMUJFWSA-N 1 3 239.363 0.729 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000357234009 386744752 /nfs/dbraw/zinc/74/47/52/386744752.db2.gz AFSNEXVQTZKIGB-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357318500 386760248 /nfs/dbraw/zinc/76/02/48/386760248.db2.gz USAAMWCCAKNRRI-NTZNESFSSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417800896 386762740 /nfs/dbraw/zinc/76/27/40/386762740.db2.gz TXMHPXRZOCGYFH-VWYCJHECSA-N 1 3 227.352 0.346 20 0 BCADHO c1ccc2c(c1)CCN(CCN1CC[NH2+]CC1)C2 ZINC000020179793 386791365 /nfs/dbraw/zinc/79/13/65/386791365.db2.gz ZDDZSGPFZVVBBQ-UHFFFAOYSA-N 1 3 245.370 0.950 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H](C)C[NH3+] ZINC000417831126 386791466 /nfs/dbraw/zinc/79/14/66/386791466.db2.gz KCIWLYXVDGVVEH-GXFFZTMASA-N 1 3 249.358 0.960 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)C[NH3+] ZINC000417831125 386791674 /nfs/dbraw/zinc/79/16/74/386791674.db2.gz KCIWLYXVDGVVEH-GWCFXTLKSA-N 1 3 249.358 0.960 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)C1 ZINC000417813280 386780427 /nfs/dbraw/zinc/78/04/27/386780427.db2.gz PLPHLEMKTPWIGF-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000417813082 386781236 /nfs/dbraw/zinc/78/12/36/386781236.db2.gz QTMFNARCDMUJCV-RHYQMDGZSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417803862 386781590 /nfs/dbraw/zinc/78/15/90/386781590.db2.gz FWKMIQRDSJOZQG-OPRDCNLKSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417812582 386781674 /nfs/dbraw/zinc/78/16/74/386781674.db2.gz OSCHDGWOUNTBOM-ZJUUUORDSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@H]1CCN(C(=O)[C@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000417827138 386784203 /nfs/dbraw/zinc/78/42/03/386784203.db2.gz CVAPQGDUEUNYCU-QJPTWQEYSA-N 1 3 239.363 0.572 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417827552 386784851 /nfs/dbraw/zinc/78/48/51/386784851.db2.gz DIXBHSGDUPGZLB-RTXFEEFZSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1NCCCC1(C)C ZINC000417805981 386787125 /nfs/dbraw/zinc/78/71/25/386787125.db2.gz IBSLZUCCPOJHFN-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000417808615 386787909 /nfs/dbraw/zinc/78/79/09/386787909.db2.gz ADQISNLIDYJBOQ-KKOKHZNYSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417807892 386788145 /nfs/dbraw/zinc/78/81/45/386788145.db2.gz ITBUWXZUESZHGX-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CCNCC[NH2+]CCC(C)(C)C(=O)OC ZINC000414846617 386817723 /nfs/dbraw/zinc/81/77/23/386817723.db2.gz NRQLIJYWBJASBF-UHFFFAOYSA-N 1 3 216.325 0.775 20 0 BCADHO C[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C[C@@H]1C[NH3+] ZINC000417837318 386798023 /nfs/dbraw/zinc/79/80/23/386798023.db2.gz MDZDPBHWZUCWTH-GARJFASQSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000417845190 386798643 /nfs/dbraw/zinc/79/86/43/386798643.db2.gz XKGPZHAPRPMNGG-RHYQMDGZSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841826 386798661 /nfs/dbraw/zinc/79/86/61/386798661.db2.gz UGZSROQCRDBSLF-JOYOIKCWSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417843084 386799046 /nfs/dbraw/zinc/79/90/46/386799046.db2.gz QGRYNMNPOMQDKO-SCZZXKLOSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841827 386799073 /nfs/dbraw/zinc/79/90/73/386799073.db2.gz UGZSROQCRDBSLF-SKDRFNHKSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[NH3+])CCCN1C ZINC000417995311 386803129 /nfs/dbraw/zinc/80/31/29/386803129.db2.gz DCIWVOPFYACCMP-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)NCCC[NH3+])CN1C1CC1 ZINC000417859696 386804999 /nfs/dbraw/zinc/80/49/99/386804999.db2.gz SKEBKSSPYCZGOR-NXEZZACHSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417847418 386805534 /nfs/dbraw/zinc/80/55/34/386805534.db2.gz UQOWEOKDLFITBD-NAKRPEOUSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](N)Cc1ccccc1 ZINC000417846500 386805610 /nfs/dbraw/zinc/80/56/10/386805610.db2.gz UDKYKRCNECYJLL-WCFLWFBJSA-N 1 3 247.342 0.505 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N(C)C2C[NH2+]C2)CCCN1C ZINC000417997359 386806482 /nfs/dbraw/zinc/80/64/82/386806482.db2.gz FTOXZAYBIPPEPS-MWLCHTKSSA-N 1 3 240.351 0.082 20 0 BCADHO CCN(CC[NH3+])C(=O)CN(C)CC(C)(C)C ZINC000638517254 386807091 /nfs/dbraw/zinc/80/70/91/386807091.db2.gz RVPLLURUAHNWGT-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417850447 386807297 /nfs/dbraw/zinc/80/72/97/386807297.db2.gz XPHQHITVLCMUMU-TUAOUCFPSA-N 1 3 241.379 0.803 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417849934 386808978 /nfs/dbraw/zinc/80/89/78/386808978.db2.gz WVQOYZMUBYLSIT-QCNOEVLYSA-N 1 3 241.379 0.803 20 0 BCADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336670723 386814090 /nfs/dbraw/zinc/81/40/90/386814090.db2.gz FXVCKACRBKJWQF-GFCCVEGCSA-N 1 3 212.337 0.926 20 0 BCADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336670723 386814096 /nfs/dbraw/zinc/81/40/96/386814096.db2.gz FXVCKACRBKJWQF-GFCCVEGCSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)NC1CCN(C)CC1 ZINC000349526605 386851967 /nfs/dbraw/zinc/85/19/67/386851967.db2.gz QJDZBMLCYWXOEC-SNVBAGLBSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336744574 386867581 /nfs/dbraw/zinc/86/75/81/386867581.db2.gz QGCNOMIIBLSEFB-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000336744574 386867587 /nfs/dbraw/zinc/86/75/87/386867587.db2.gz QGCNOMIIBLSEFB-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)N(CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919288 386872391 /nfs/dbraw/zinc/87/23/91/386872391.db2.gz MWTGIGVPRXBLSR-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO FC1(F)CCNC[C@H]1NC[C@H]1CCC[NH2+]C1 ZINC000334844032 386890572 /nfs/dbraw/zinc/89/05/72/386890572.db2.gz BURSQSGVYIIHMJ-VHSXEESVSA-N 1 3 233.306 0.573 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000125904883 386918610 /nfs/dbraw/zinc/91/86/10/386918610.db2.gz BRVBVCCRVRHMHO-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000336739780 386898142 /nfs/dbraw/zinc/89/81/42/386898142.db2.gz LSAKFAQYUPCAPF-VGMNWLOBSA-N 1 3 231.365 0.015 20 0 BCADHO FC1(F)CNCC[C@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000334849606 386898526 /nfs/dbraw/zinc/89/85/26/386898526.db2.gz XEBMAEPMNZEWKF-VHSXEESVSA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+][C@@H]1CCCNC1 ZINC000334849606 386898531 /nfs/dbraw/zinc/89/85/31/386898531.db2.gz XEBMAEPMNZEWKF-VHSXEESVSA-N 1 3 233.306 0.573 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335763517 386904459 /nfs/dbraw/zinc/90/44/59/386904459.db2.gz MIOHQRCUTRLDRZ-YPMHNXCESA-N 1 3 239.363 0.716 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335763514 386904880 /nfs/dbraw/zinc/90/48/80/386904880.db2.gz MIOHQRCUTRLDRZ-AAEUAGOBSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000331821201 386911738 /nfs/dbraw/zinc/91/17/38/386911738.db2.gz ZGUDSWHAQZDEOW-FXPVBKGRSA-N 1 3 240.351 0.116 20 0 BCADHO c1ccc2c(c1)CCN[C@H]2CN[C@H]1CC[NH2+]C1 ZINC000334818493 386947361 /nfs/dbraw/zinc/94/73/61/386947361.db2.gz JOTZQHALVRXGOP-JSGCOSHPSA-N 1 3 231.343 0.825 20 0 BCADHO N[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])C1CCC1 ZINC000331946093 386928370 /nfs/dbraw/zinc/92/83/70/386928370.db2.gz IBBKIMCHLSUESY-DCAQKATOSA-N 1 3 225.336 0.357 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000518976299 386965416 /nfs/dbraw/zinc/96/54/16/386965416.db2.gz MEECTJZXAUUFHY-UMNHJUIQSA-N 1 3 227.352 0.761 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](COC)C1 ZINC000518990834 386975357 /nfs/dbraw/zinc/97/53/57/386975357.db2.gz SONIKZUUODTDRB-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000518990834 386975359 /nfs/dbraw/zinc/97/53/59/386975359.db2.gz SONIKZUUODTDRB-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000518990834 386975361 /nfs/dbraw/zinc/97/53/61/386975361.db2.gz SONIKZUUODTDRB-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](N)C1CCC1 ZINC000332485102 386983348 /nfs/dbraw/zinc/98/33/48/386983348.db2.gz QLDXJAKPGBJFEF-INTQDDNPSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H](C[NH2+][C@@H](C)CC(N)=O)CN1CCCCC1 ZINC000341888827 386984671 /nfs/dbraw/zinc/98/46/71/386984671.db2.gz NGXAERZNAXLGEZ-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CN[C@@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC000341888827 386984676 /nfs/dbraw/zinc/98/46/76/386984676.db2.gz NGXAERZNAXLGEZ-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000334914873 386988895 /nfs/dbraw/zinc/98/88/95/386988895.db2.gz LUNAZGLPDPTFHZ-JTQLQIEISA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000334914873 386988899 /nfs/dbraw/zinc/98/88/99/386988899.db2.gz LUNAZGLPDPTFHZ-JTQLQIEISA-N 1 3 237.347 0.611 20 0 BCADHO CN(C)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000368598092 386991499 /nfs/dbraw/zinc/99/14/99/386991499.db2.gz MKXHVJPACPOHDF-ZYHUDNBSSA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368641370 386997574 /nfs/dbraw/zinc/99/75/74/386997574.db2.gz HDJQVBVJHHLQFE-XHNCKOQMSA-N 1 3 231.315 0.176 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368218981 386949641 /nfs/dbraw/zinc/94/96/41/386949641.db2.gz XWGDDLFKXOUSCG-QWRGUYRKSA-N 1 3 239.363 0.618 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000334930458 387006936 /nfs/dbraw/zinc/00/69/36/387006936.db2.gz MSIMXBFFBZUIPW-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000334953654 387030735 /nfs/dbraw/zinc/03/07/35/387030735.db2.gz SNSRZQIKVRHTDA-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000399007718 387035770 /nfs/dbraw/zinc/03/57/70/387035770.db2.gz AJERVSFEQOCCCI-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000399007718 387035774 /nfs/dbraw/zinc/03/57/74/387035774.db2.gz AJERVSFEQOCCCI-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCC[C@H]1N ZINC000333463043 387037999 /nfs/dbraw/zinc/03/79/99/387037999.db2.gz GXDDRVLYHLVQBV-UMSGYPCISA-N 1 3 241.379 0.613 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463043 387038002 /nfs/dbraw/zinc/03/80/02/387038002.db2.gz GXDDRVLYHLVQBV-UMSGYPCISA-N 1 3 241.379 0.613 20 0 BCADHO C[C@@H]([NH3+])CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106633 387040402 /nfs/dbraw/zinc/04/04/02/387040402.db2.gz HRFMNGMWOJBGBG-MRVPVSSYSA-N 1 3 234.303 0.403 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@H](N)C1CCC1 ZINC000399021488 387041774 /nfs/dbraw/zinc/04/17/74/387041774.db2.gz HODNJMFAVLGVDN-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000334964678 387044877 /nfs/dbraw/zinc/04/48/77/387044877.db2.gz AHSPFDNLNHNWJR-MNOVXSKESA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H]1C(=O)NCCCN1CC[C@H]1CCC[NH2+]C1 ZINC000334966028 387047148 /nfs/dbraw/zinc/04/71/48/387047148.db2.gz DSLIGZNQKVIETM-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]([NH3+])CN1CCNC[C@H]1c1ccccc1 ZINC000334966917 387048523 /nfs/dbraw/zinc/04/85/23/387048523.db2.gz HGMQSSXRDRGWDT-AAEUAGOBSA-N 1 3 219.332 0.980 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000648107798 387050189 /nfs/dbraw/zinc/05/01/89/387050189.db2.gz PSEYPGBKYJDIRI-NXEZZACHSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H](CNC(=O)N1CCNC(C)(C)C1)[NH+](C)C ZINC000334968485 387050839 /nfs/dbraw/zinc/05/08/39/387050839.db2.gz PWSICDWXFGQXFT-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000334970892 387055409 /nfs/dbraw/zinc/05/54/09/387055409.db2.gz JNSHOJOFLVUKLK-SNVBAGLBSA-N 1 3 239.363 0.762 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399079625 387055883 /nfs/dbraw/zinc/05/58/83/387055883.db2.gz RGBJSPIUJZSCNR-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CN1CCOCC1)NCC1([NH3+])CCC1 ZINC000519156690 387020236 /nfs/dbraw/zinc/02/02/36/387020236.db2.gz DZEWFBYEHNPNLU-NSHDSACASA-N 1 3 227.352 0.178 20 0 BCADHO CN(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000334982170 387070680 /nfs/dbraw/zinc/07/06/80/387070680.db2.gz YVQHNBHDASUHBK-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H](CO)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766766 387072028 /nfs/dbraw/zinc/07/20/28/387072028.db2.gz OROGFPDSAAVXBO-VXGBXAGGSA-N 1 3 230.352 0.003 20 0 BCADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CNCCO2)c2ccccc21 ZINC000333890626 387072284 /nfs/dbraw/zinc/07/22/84/387072284.db2.gz YDBNKPLEJUWKTN-LERXQTSPSA-N 1 3 247.342 0.709 20 0 BCADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CNCCO2)c2ccccc21 ZINC000333890627 387072783 /nfs/dbraw/zinc/07/27/83/387072783.db2.gz YDBNKPLEJUWKTN-ZLKJLUDKSA-N 1 3 247.342 0.709 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000369885322 387074761 /nfs/dbraw/zinc/07/47/61/387074761.db2.gz XUFSAZXUUASIKG-LPEHRKFASA-N 1 3 231.315 0.143 20 0 BCADHO CCN(CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000417427476 387091054 /nfs/dbraw/zinc/09/10/54/387091054.db2.gz JCUVMXKRIYZZJO-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)NCCN(CC)C1CC1 ZINC000417427894 387100382 /nfs/dbraw/zinc/10/03/82/387100382.db2.gz JWHYFCHNVGAVDC-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH+]1CCCC1)N(C)C ZINC000359461274 387106105 /nfs/dbraw/zinc/10/61/05/387106105.db2.gz UIJOVKYNMYYUIT-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO COC[C@@H](CC(C)C)NCC1C[NH2+]C1 ZINC000423300080 387131997 /nfs/dbraw/zinc/13/19/97/387131997.db2.gz DETYUNZLLICGLL-LLVKDONJSA-N 1 3 200.326 0.857 20 0 BCADHO COC[C@@H](CC(C)C)[NH2+]CC1CNC1 ZINC000423300080 387132001 /nfs/dbraw/zinc/13/20/01/387132001.db2.gz DETYUNZLLICGLL-LLVKDONJSA-N 1 3 200.326 0.857 20 0 BCADHO CN1CCC[C@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000643437408 387122164 /nfs/dbraw/zinc/12/21/64/387122164.db2.gz UBBFFAAWYQNHLJ-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)C(N)C(F)(F)F ZINC000353163312 387147312 /nfs/dbraw/zinc/14/73/12/387147312.db2.gz BPIGBDLOMTXELI-ZCFIWIBFSA-N 1 3 241.257 0.319 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)C(N)C(F)(F)F ZINC000353163551 387147593 /nfs/dbraw/zinc/14/75/93/387147593.db2.gz CCAKYDWTTHIFFD-LURJTMIESA-N 1 3 241.257 0.510 20 0 BCADHO COCCNCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000423314143 387154759 /nfs/dbraw/zinc/15/47/59/387154759.db2.gz GRSAELUKEUIUJG-FRRDWIJNSA-N 1 3 243.395 0.541 20 0 BCADHO COCCNCCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000423318427 387159335 /nfs/dbraw/zinc/15/93/35/387159335.db2.gz BRIKISMFKRNXDO-VXGBXAGGSA-N 1 3 229.368 0.472 20 0 BCADHO COCCNCCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000423318426 387160269 /nfs/dbraw/zinc/16/02/69/387160269.db2.gz BRIKISMFKRNXDO-RYUDHWBXSA-N 1 3 229.368 0.472 20 0 BCADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2(N)CCC2)C1 ZINC000423343141 387193146 /nfs/dbraw/zinc/19/31/46/387193146.db2.gz ZGGVVLOOXYHLQN-MNOVXSKESA-N 1 3 211.353 0.798 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423323554 387166826 /nfs/dbraw/zinc/16/68/26/387166826.db2.gz ICTIZRKGGQDHIS-FRRDWIJNSA-N 1 3 225.380 0.916 20 0 BCADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000168603919 387168678 /nfs/dbraw/zinc/16/86/78/387168678.db2.gz MPLMZYULSWCRKR-NXEZZACHSA-N 1 3 200.326 0.722 20 0 BCADHO CC(C)(CO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000168604015 387168730 /nfs/dbraw/zinc/16/87/30/387168730.db2.gz MPLMZYULSWCRKR-ZJUUUORDSA-N 1 3 200.326 0.722 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@H](N)C2CC2)C1 ZINC000423327481 387169938 /nfs/dbraw/zinc/16/99/38/387169938.db2.gz RQMYRDWBKZLCRY-ZMLRMANQSA-N 1 3 211.353 0.654 20 0 BCADHO COC[C@H](NC[C@H]([NH3+])C1CC1)C(C)C ZINC000423330845 387175256 /nfs/dbraw/zinc/17/52/56/387175256.db2.gz UHJMHMIQMJZRDH-QWRGUYRKSA-N 1 3 200.326 0.984 20 0 BCADHO CC[C@@]1(C(=O)NC2CCN(C)CC2)CC[NH2+]C1 ZINC000062890453 387176786 /nfs/dbraw/zinc/17/67/86/387176786.db2.gz QMBWQLFNAQTNCG-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232241 387177561 /nfs/dbraw/zinc/17/75/61/387177561.db2.gz RJCCOINWTYFPAV-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CCN(C)CCNC(=O)[C@]1(CC)CC[NH2+]C1 ZINC000062904268 387180165 /nfs/dbraw/zinc/18/01/65/387180165.db2.gz KDXYLTGZXGGHFV-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371261914 387184478 /nfs/dbraw/zinc/18/44/78/387184478.db2.gz FNTMVNVSWPHLPU-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371261914 387184484 /nfs/dbraw/zinc/18/44/84/387184484.db2.gz FNTMVNVSWPHLPU-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371261761 387184642 /nfs/dbraw/zinc/18/46/42/387184642.db2.gz CRMCSGUUJVWIQA-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371261761 387184647 /nfs/dbraw/zinc/18/46/47/387184647.db2.gz CRMCSGUUJVWIQA-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H](N(C)C)C1 ZINC000062967600 387186979 /nfs/dbraw/zinc/18/69/79/387186979.db2.gz ZGAVTPNDNWNHBA-WDEREUQCSA-N 1 3 227.352 0.380 20 0 BCADHO [NH3+]CCCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973494 387190255 /nfs/dbraw/zinc/19/02/55/387190255.db2.gz VISSCPKTRLQOIU-LBPRGKRZSA-N 1 3 239.363 0.812 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000418179292 387190756 /nfs/dbraw/zinc/19/07/56/387190756.db2.gz ACUQGHRHRHDFKN-ZJUUUORDSA-N 1 3 230.356 0.234 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(N)C(F)(F)F ZINC000353447007 387204075 /nfs/dbraw/zinc/20/40/75/387204075.db2.gz KTVKRJOOLLTZCR-BQBZGAKWSA-N 1 3 241.257 0.332 20 0 BCADHO CCN1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423355118 387205293 /nfs/dbraw/zinc/20/52/93/387205293.db2.gz OOPDGMDKBPEBGD-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000371441873 387214023 /nfs/dbraw/zinc/21/40/23/387214023.db2.gz DQDYIIQQAWFBRV-JTQLQIEISA-N 1 3 234.303 0.403 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)[C@@H](CN)OC ZINC000353506841 387219048 /nfs/dbraw/zinc/21/90/48/387219048.db2.gz DWVMBVZVAUWNQD-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000353520989 387221284 /nfs/dbraw/zinc/22/12/84/387221284.db2.gz QPEUVYMFDYCPGN-YVECIDJPSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418210676 387222406 /nfs/dbraw/zinc/22/24/06/387222406.db2.gz SSAYOTJFDODDCP-OUAUKWLOSA-N 1 3 242.367 0.328 20 0 BCADHO CNCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000193136516 387226531 /nfs/dbraw/zinc/22/65/31/387226531.db2.gz HLQNOUGVZNONBS-UHFFFAOYSA-N 1 3 227.352 0.442 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000423396768 387231328 /nfs/dbraw/zinc/23/13/28/387231328.db2.gz SMOBSJZLWHDPHX-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CC1)N(C)C ZINC000418249936 387234243 /nfs/dbraw/zinc/23/42/43/387234243.db2.gz GOMRBQLKRSHTDF-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]1CN(C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406594 387243826 /nfs/dbraw/zinc/24/38/26/387243826.db2.gz UWSRNFDRNCLUCI-NOOOWODRSA-N 1 3 211.353 0.524 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC([NH2+]C)CC1 ZINC000572155581 387250291 /nfs/dbraw/zinc/25/02/91/387250291.db2.gz MJCIKRQJSQDCFZ-GFCCVEGCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)NC2CC2)CC1 ZINC000572155573 387251075 /nfs/dbraw/zinc/25/10/75/387251075.db2.gz MBKSFLCRQTUXHM-NXEZZACHSA-N 1 3 239.363 0.713 20 0 BCADHO CO[C@H](CN)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000353423832 387198553 /nfs/dbraw/zinc/19/85/53/387198553.db2.gz DQQFZMQWZUBZRP-VHSXEESVSA-N 1 3 245.367 0.053 20 0 BCADHO NC(C(=O)NCC[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000353426892 387198955 /nfs/dbraw/zinc/19/89/55/387198955.db2.gz NLOAGVGMUNKCDF-NKWVEPMBSA-N 1 3 239.241 0.134 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)C1CCC1)C1CC1 ZINC000423349205 387199780 /nfs/dbraw/zinc/19/97/80/387199780.db2.gz WCHBVIBMBZWDKL-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000194950242 387254154 /nfs/dbraw/zinc/25/41/54/387254154.db2.gz SPLBMKMBEFRMAD-GFCCVEGCSA-N 1 3 243.395 0.325 20 0 BCADHO C[C@@H](O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000194950242 387254158 /nfs/dbraw/zinc/25/41/58/387254158.db2.gz SPLBMKMBEFRMAD-GFCCVEGCSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423377566 387259472 /nfs/dbraw/zinc/25/94/72/387259472.db2.gz YZHOHFGNCYJXIX-MROQNXINSA-N 1 3 225.380 0.914 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432599 387284690 /nfs/dbraw/zinc/28/46/90/387284690.db2.gz OPQVHAYGUCXCCW-QPPBUOOMSA-N 1 3 249.358 0.337 20 0 BCADHO C[C@H](CC(N)=O)NC1CC[NH+](C2CCC2)CC1 ZINC000360496614 387298648 /nfs/dbraw/zinc/29/86/48/387298648.db2.gz UJINEAKXUKOVTB-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000514865434 387301835 /nfs/dbraw/zinc/30/18/35/387301835.db2.gz UWKANUWXIDWLQF-GRYCIOLGSA-N 1 3 239.363 0.442 20 0 BCADHO CCN1C[C@H](NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C1 ZINC000423530284 387358300 /nfs/dbraw/zinc/35/83/00/387358300.db2.gz YTHMCPWGTZDFCU-AVGNSLFASA-N 1 3 241.379 0.295 20 0 BCADHO CCC[C@@H](C(=O)NCC1=CC[NH2+]CC1)N(C)C ZINC000423544312 387367610 /nfs/dbraw/zinc/36/76/10/387367610.db2.gz IOGQEXLKSPVECA-LBPRGKRZSA-N 1 3 239.363 0.753 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000515384687 387372665 /nfs/dbraw/zinc/37/26/65/387372665.db2.gz UFKSMQILXPLYPP-DTWKUNHWSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473886 387319333 /nfs/dbraw/zinc/31/93/33/387319333.db2.gz GYIYMBHUGIFJHO-IVZWLZJFSA-N 1 3 233.306 0.714 20 0 BCADHO C[C@@H](N[C@@H]1CNCCC1(F)F)[C@H]1CCC[NH2+]1 ZINC000423473889 387319900 /nfs/dbraw/zinc/31/99/00/387319900.db2.gz GYIYMBHUGIFJHO-OPRDCNLKSA-N 1 3 233.306 0.714 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000372775964 387324230 /nfs/dbraw/zinc/32/42/30/387324230.db2.gz KIVZPSAROWJEEN-DMDPSCGWSA-N 1 3 239.363 0.844 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000372775969 387325100 /nfs/dbraw/zinc/32/51/00/387325100.db2.gz KIVZPSAROWJEEN-LOWVWBTDSA-N 1 3 239.363 0.844 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CNCCC1(F)F ZINC000423483935 387329837 /nfs/dbraw/zinc/32/98/37/387329837.db2.gz QKBRMYKUCWYJJP-AEJSXWLSSA-N 1 3 233.306 0.701 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000423785382 387424145 /nfs/dbraw/zinc/42/41/45/387424145.db2.gz SYQKALCHCSYHLB-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423785382 387424148 /nfs/dbraw/zinc/42/41/48/387424148.db2.gz SYQKALCHCSYHLB-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000423785381 387424473 /nfs/dbraw/zinc/42/44/73/387424473.db2.gz SYQKALCHCSYHLB-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000423785381 387424476 /nfs/dbraw/zinc/42/44/76/387424476.db2.gz SYQKALCHCSYHLB-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000423785384 387424695 /nfs/dbraw/zinc/42/46/95/387424695.db2.gz SYQKALCHCSYHLB-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000423785384 387424698 /nfs/dbraw/zinc/42/46/98/387424698.db2.gz SYQKALCHCSYHLB-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423790442 387427525 /nfs/dbraw/zinc/42/75/25/387427525.db2.gz GLESUTAXXTTZST-WDEREUQCSA-N 1 3 245.342 0.487 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000423820614 387431328 /nfs/dbraw/zinc/43/13/28/387431328.db2.gz PXKVFNIRGXBKEZ-QWRGUYRKSA-N 1 3 225.336 0.467 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[NH2+]C1 ZINC000423849046 387434701 /nfs/dbraw/zinc/43/47/01/387434701.db2.gz PBEQJMFFVACTCY-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC000354906178 387447848 /nfs/dbraw/zinc/44/78/48/387447848.db2.gz DYFXKAVZJIOQKS-UHFFFAOYSA-N 1 3 239.363 0.635 20 0 BCADHO C[C@@H]1CN(C(=O)CN2[C@H](C)CC[C@H]2C)C[C@@H]1[NH3+] ZINC000423953952 387458396 /nfs/dbraw/zinc/45/83/96/387458396.db2.gz BOTMFMDABYTRBP-KKOKHZNYSA-N 1 3 239.363 0.665 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)C12CCCN1CCC2 ZINC000423627473 387389355 /nfs/dbraw/zinc/38/93/55/387389355.db2.gz IGMRUAWTZVGMQU-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423640244 387392294 /nfs/dbraw/zinc/39/22/94/387392294.db2.gz GLMRBGOWCOBXRW-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000423665948 387394155 /nfs/dbraw/zinc/39/41/55/387394155.db2.gz KTMNCPCVLYEFIQ-YTWAJWBKSA-N 1 3 225.336 0.051 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000423678518 387395846 /nfs/dbraw/zinc/39/58/46/387395846.db2.gz JCIPCXWCUUVARL-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C12CCCN1CCC2 ZINC000423687060 387398703 /nfs/dbraw/zinc/39/87/03/387398703.db2.gz VEZVLCACVDWHQJ-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423974322 387460456 /nfs/dbraw/zinc/46/04/56/387460456.db2.gz HVPIYAIALRDWDK-DGCLKSJQSA-N 1 3 241.379 0.772 20 0 BCADHO CCC[C@@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230711133 134534097 /nfs/dbraw/zinc/53/40/97/134534097.db2.gz ZVLIWEQPFWQSHV-LLVKDONJSA-N 1 3 229.368 0.914 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)N(C)C ZINC000423971788 387460704 /nfs/dbraw/zinc/46/07/04/387460704.db2.gz HKBNZTWGCVWLFK-AXFHLTTASA-N 1 3 227.352 0.378 20 0 BCADHO COCCN(CCN(C)C)C(=O)CC[C@H](C)[NH3+] ZINC000423748443 387408457 /nfs/dbraw/zinc/40/84/57/387408457.db2.gz ULCQMCXHBNFNOE-NSHDSACASA-N 1 3 245.367 0.150 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CC1(C[NH3+])CC1 ZINC000423749936 387408923 /nfs/dbraw/zinc/40/89/23/387408923.db2.gz WODCHDKKZMGPGU-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)CC[NH3+])N1CCCCC1 ZINC000424002163 387463935 /nfs/dbraw/zinc/46/39/35/387463935.db2.gz IGGCOKXQLDHSMR-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000424001803 387464366 /nfs/dbraw/zinc/46/43/66/387464366.db2.gz IBRKSAJFECTQHY-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO C[NH2+][C@@H](C)Cc1noc(C2(CN)CCCC2)n1 ZINC000516180998 387468315 /nfs/dbraw/zinc/46/83/15/387468315.db2.gz YNHMXYNMRSITDZ-VIFPVBQESA-N 1 3 238.335 0.991 20 0 BCADHO CC[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000516179834 387468573 /nfs/dbraw/zinc/46/85/73/387468573.db2.gz HGFZTZMADKDVAJ-HTAVTVPLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[C@H](NCC[NH2+]C2CC2)CN1C1CC1 ZINC000643507034 387476114 /nfs/dbraw/zinc/47/61/14/387476114.db2.gz QHDRALUKWTWPNE-PWSUYJOCSA-N 1 3 223.364 0.953 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1N ZINC000424074064 387478866 /nfs/dbraw/zinc/47/88/66/387478866.db2.gz GOAVZZJXNFIBHG-BBBLOLIVSA-N 1 3 213.325 0.165 20 0 BCADHO [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237857540 387593709 /nfs/dbraw/zinc/59/37/09/387593709.db2.gz XYQHIHFTDKEOQI-MNOVXSKESA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422545765 387596494 /nfs/dbraw/zinc/59/64/94/387596494.db2.gz XVIIIANAQISBSX-ZNSHCXBVSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@H](C)N1 ZINC000422545932 387596521 /nfs/dbraw/zinc/59/65/21/387596521.db2.gz YDHYEKYQPFFHJB-KKZNHRDASA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)C1CCC1 ZINC000422539426 387597165 /nfs/dbraw/zinc/59/71/65/387597165.db2.gz KJSGPXVSAJDQAL-NXEZZACHSA-N 1 3 213.325 0.213 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)CCN(C)C ZINC000355968675 387599767 /nfs/dbraw/zinc/59/97/67/387599767.db2.gz JRHAKNIVWXNIIR-LLVKDONJSA-N 1 3 244.383 0.530 20 0 BCADHO C[NH2+]CCCNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422605590 387606383 /nfs/dbraw/zinc/60/63/83/387606383.db2.gz GITNZPJEXQEMGB-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422610835 387606788 /nfs/dbraw/zinc/60/67/88/387606788.db2.gz QWPONOHWQKLKKO-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CN1CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000527533832 387624861 /nfs/dbraw/zinc/62/48/61/387624861.db2.gz VYXKDVCXLOYYEY-LBPRGKRZSA-N 1 3 223.364 0.955 20 0 BCADHO CC(C)[C@H](C(=O)NCCN(C)C1CC1)[C@H](C)[NH3+] ZINC000399626342 387564548 /nfs/dbraw/zinc/56/45/48/387564548.db2.gz DREROQHYDLTPDK-JQWIXIFHSA-N 1 3 241.379 0.816 20 0 BCADHO CCN(C)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399725638 387567027 /nfs/dbraw/zinc/56/70/27/387567027.db2.gz KAEIPPLJHPEDCW-WDEREUQCSA-N 1 3 229.368 0.674 20 0 BCADHO CCN(C)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399725139 387568110 /nfs/dbraw/zinc/56/81/10/387568110.db2.gz KAEIPPLJHPEDCW-MNOVXSKESA-N 1 3 229.368 0.674 20 0 BCADHO C[C@@H](N)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000367392123 387573995 /nfs/dbraw/zinc/57/39/95/387573995.db2.gz MGDZMRBYXQKHNM-RITPCOANSA-N 1 3 240.332 0.245 20 0 BCADHO C[C@@H]1COCCN1CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422720910 387632326 /nfs/dbraw/zinc/63/23/26/387632326.db2.gz UDJWUTTYZBVBLL-UPJWGTAASA-N 1 3 241.379 0.424 20 0 BCADHO C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422720910 387632329 /nfs/dbraw/zinc/63/23/29/387632329.db2.gz UDJWUTTYZBVBLL-UPJWGTAASA-N 1 3 241.379 0.424 20 0 BCADHO CCCCNC(=O)CCN(C)C1CC[NH2+]CC1 ZINC000430642094 387635252 /nfs/dbraw/zinc/63/52/52/387635252.db2.gz NTJZMWSTXJVVJU-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CCCCNC(=O)CC[N@H+](C)C1CCNCC1 ZINC000430642094 387635253 /nfs/dbraw/zinc/63/52/53/387635253.db2.gz NTJZMWSTXJVVJU-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CCCCNC(=O)CC[N@@H+](C)C1CCNCC1 ZINC000430642094 387635256 /nfs/dbraw/zinc/63/52/56/387635256.db2.gz NTJZMWSTXJVVJU-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)CC[NH3+])CCN1C ZINC000430792117 387651521 /nfs/dbraw/zinc/65/15/21/387651521.db2.gz HCKXFQYXZJCXNL-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000430808835 387653855 /nfs/dbraw/zinc/65/38/55/387653855.db2.gz NNDPBRHUSCHORC-NSHDSACASA-N 1 3 225.336 0.135 20 0 BCADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000430808835 387653859 /nfs/dbraw/zinc/65/38/59/387653859.db2.gz NNDPBRHUSCHORC-NSHDSACASA-N 1 3 225.336 0.135 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430899586 387658740 /nfs/dbraw/zinc/65/87/40/387658740.db2.gz MECWOTGCYAKNGR-MWLCHTKSSA-N 1 3 225.336 0.419 20 0 BCADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1N ZINC000422758171 387660945 /nfs/dbraw/zinc/66/09/45/387660945.db2.gz NPYYBIWORGQOPP-IJLUTSLNSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)C[C@H](C)N1 ZINC000430963430 387665020 /nfs/dbraw/zinc/66/50/20/387665020.db2.gz UYEMMTQCKIDMAA-BETUJISGSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1C[N@H+](CCCN2CCOCC2)C[C@H](C)N1 ZINC000430963430 387665023 /nfs/dbraw/zinc/66/50/23/387665023.db2.gz UYEMMTQCKIDMAA-BETUJISGSA-N 1 3 241.379 0.391 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430968666 387665636 /nfs/dbraw/zinc/66/56/36/387665636.db2.gz ATTUKYNWUPOYQR-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCC(C)(C)N1CCOCC1 ZINC000422765959 387666471 /nfs/dbraw/zinc/66/64/71/387666471.db2.gz WOHOQZPSOXIIKS-NWDGAFQWSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765959 387666473 /nfs/dbraw/zinc/66/64/73/387666473.db2.gz WOHOQZPSOXIIKS-NWDGAFQWSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H](C[NH2+][C@@H](C)C[C@H](C)N)CN1CCOCC1 ZINC000422769070 387667856 /nfs/dbraw/zinc/66/78/56/387667856.db2.gz SQOXGHWFWHRXES-AGIUHOORSA-N 1 3 243.395 0.670 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCC[NH3+] ZINC000431023874 387670634 /nfs/dbraw/zinc/67/06/34/387670634.db2.gz JIKYCUZHMPWJJC-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000431014721 387671346 /nfs/dbraw/zinc/67/13/46/387671346.db2.gz LDFRRBXYLHEUAT-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H](O)CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422776549 387675183 /nfs/dbraw/zinc/67/51/83/387675183.db2.gz CWEZACPAHWDGFH-OUAUKWLOSA-N 1 3 200.326 0.863 20 0 BCADHO COCCCN(C)CC[NH2+][C@H]1CCC[C@H]1N ZINC000422785324 387683168 /nfs/dbraw/zinc/68/31/68/387683168.db2.gz QVEOMKTZDYBQKV-NEPJUHHUSA-N 1 3 229.368 0.424 20 0 BCADHO C[C@@H](N[C@@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422743555 387689550 /nfs/dbraw/zinc/68/95/50/387689550.db2.gz RSALLRSFYKULGN-WZRBSPASSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000422871523 387749678 /nfs/dbraw/zinc/74/96/78/387749678.db2.gz DABCFPYVAVJJSH-CKYFFXLPSA-N 1 3 209.337 0.421 20 0 BCADHO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000441374705 387753737 /nfs/dbraw/zinc/75/37/37/387753737.db2.gz GOGNIYJNGLTYPB-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N(C)C ZINC000422804707 387702958 /nfs/dbraw/zinc/70/29/58/387702958.db2.gz KXZXPJHMEDRFNC-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000629613988 387713913 /nfs/dbraw/zinc/71/39/13/387713913.db2.gz UOFGBQLAVSEDCT-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)N(C)C ZINC000629614216 387716212 /nfs/dbraw/zinc/71/62/12/387716212.db2.gz IDLOYQMCPHTULZ-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@H](C(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000629614209 387716237 /nfs/dbraw/zinc/71/62/37/387716237.db2.gz DXZWOLPBWDXBPK-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CN(C)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431619109 387722194 /nfs/dbraw/zinc/72/21/94/387722194.db2.gz FSIGCXNUZWXPAK-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CN(C)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431619109 387722200 /nfs/dbraw/zinc/72/22/00/387722200.db2.gz FSIGCXNUZWXPAK-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO Cc1nccn1CC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000422830237 387723812 /nfs/dbraw/zinc/72/38/12/387723812.db2.gz CJFRRCWRJYHVIQ-CMPLNLGQSA-N 1 3 222.336 0.779 20 0 BCADHO Cc1nccn1CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422830237 387723815 /nfs/dbraw/zinc/72/38/15/387723815.db2.gz CJFRRCWRJYHVIQ-CMPLNLGQSA-N 1 3 222.336 0.779 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000377561360 387726093 /nfs/dbraw/zinc/72/60/93/387726093.db2.gz HHEMNJKRJVMOOC-WHOHXGKFSA-N 1 3 239.363 0.583 20 0 BCADHO COCCN(C)CCC[NH2+][C@H]1CNCC[C@H]1C ZINC000422848134 387733852 /nfs/dbraw/zinc/73/38/52/387733852.db2.gz SNPJDISCMZKOBH-OLZOCXBDSA-N 1 3 243.395 0.542 20 0 BCADHO C[C@H](CCN1CCOCC1)[NH2+][C@@H](C)C[C@H](C)N ZINC000422913161 387770853 /nfs/dbraw/zinc/77/08/53/387770853.db2.gz PCXIFBUIEQZHTO-XQQFMLRXSA-N 1 3 243.395 0.813 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@]1(F)CCNC1 ZINC000378202076 387771106 /nfs/dbraw/zinc/77/11/06/387771106.db2.gz FNGQYMVPNQIGEC-GFCCVEGCSA-N 1 3 245.342 0.392 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914399 387772027 /nfs/dbraw/zinc/77/20/27/387772027.db2.gz UABNHEPFSWZRCE-CHWSQXEVSA-N 1 3 247.342 0.886 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914400 387772033 /nfs/dbraw/zinc/77/20/33/387772033.db2.gz UABNHEPFSWZRCE-OLZOCXBDSA-N 1 3 247.342 0.886 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000441621888 387773268 /nfs/dbraw/zinc/77/32/68/387773268.db2.gz PLWFFDPDUCOWKE-PWSUYJOCSA-N 1 3 235.331 0.440 20 0 BCADHO C[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000378525273 387789588 /nfs/dbraw/zinc/78/95/88/387789588.db2.gz FBTNNAICTLHFNA-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000378525273 387789592 /nfs/dbraw/zinc/78/95/92/387789592.db2.gz FBTNNAICTLHFNA-MNOVXSKESA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000432534033 387799434 /nfs/dbraw/zinc/79/94/34/387799434.db2.gz BNSAPEQLJIOMHQ-WOPDTQHZSA-N 1 3 241.379 0.687 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000432527714 387799717 /nfs/dbraw/zinc/79/97/17/387799717.db2.gz RGYIRXLHPYSHJW-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442596179 387808006 /nfs/dbraw/zinc/80/80/06/387808006.db2.gz DRSVYNVKBBTNOR-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@H](C)C[C@H](C)[NH3+] ZINC000422974954 387823438 /nfs/dbraw/zinc/82/34/38/387823438.db2.gz FSYFIDVNRPTAIY-QCLAVDOMSA-N 1 3 220.382 0.814 20 0 BCADHO CC[C@H](CCO)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000422974146 387823462 /nfs/dbraw/zinc/82/34/62/387823462.db2.gz DHSISHFMTAGSET-AXFHLTTASA-N 1 3 200.326 0.735 20 0 BCADHO CC(C)[C@](C)(O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422975781 387826128 /nfs/dbraw/zinc/82/61/28/387826128.db2.gz HGYYRCZODYCSJJ-GMTAPVOTSA-N 1 3 200.326 0.863 20 0 BCADHO CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000442722265 387827886 /nfs/dbraw/zinc/82/78/86/387827886.db2.gz WZCKWVKGGRPNCP-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CN1C1CC1 ZINC000424158630 387835106 /nfs/dbraw/zinc/83/51/06/387835106.db2.gz UDEDJAXJICGKGW-OYBPUVFXSA-N 1 3 223.320 0.075 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CN1C1CC1 ZINC000424158625 387835573 /nfs/dbraw/zinc/83/55/73/387835573.db2.gz UDEDJAXJICGKGW-HLFFCZDVSA-N 1 3 223.320 0.075 20 0 BCADHO C[NH+](C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000058084407 387839704 /nfs/dbraw/zinc/83/97/04/387839704.db2.gz SUMUPGGPEHEPQR-UHFFFAOYSA-N 1 3 233.315 0.581 20 0 BCADHO CO[C@@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643533574 387848263 /nfs/dbraw/zinc/84/82/63/387848263.db2.gz RUDLMTDLINQTHZ-RNWYCLNJSA-N 1 3 210.321 0.751 20 0 BCADHO CN1C[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2C1 ZINC000193616558 387859411 /nfs/dbraw/zinc/85/94/11/387859411.db2.gz JYTSLUMQARHNIH-TXEJJXNPSA-N 1 3 220.320 0.377 20 0 BCADHO CN1C[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2C1 ZINC000193616558 387859413 /nfs/dbraw/zinc/85/94/13/387859413.db2.gz JYTSLUMQARHNIH-TXEJJXNPSA-N 1 3 220.320 0.377 20 0 BCADHO C[C@@H](NC[C@@H]1C[C@H](F)CN1)[C@H]1CCCC[NH2+]1 ZINC000643538250 387877802 /nfs/dbraw/zinc/87/78/02/387877802.db2.gz CIKDSYBYQAVNON-NOOOWODRSA-N 1 3 229.343 0.807 20 0 BCADHO COC(=O)[C@H]1CC[C@@H](N[C@@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000423082053 387878119 /nfs/dbraw/zinc/87/81/19/387878119.db2.gz CJDTXFNQDNRYHD-FIQHERPVSA-N 1 3 240.347 0.916 20 0 BCADHO C[C@H]1CCNC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423095247 387884678 /nfs/dbraw/zinc/88/46/78/387884678.db2.gz LTDVYGBIVFBPTD-STQMWFEESA-N 1 3 223.364 0.836 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000423141411 387918322 /nfs/dbraw/zinc/91/83/22/387918322.db2.gz PSHHTJNEIMWMLV-RTXFEEFZSA-N 1 3 226.364 0.983 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424216790 387932838 /nfs/dbraw/zinc/93/28/38/387932838.db2.gz JNDFMXSUFHVDRM-GJMOJQLCSA-N 1 3 235.278 0.355 20 0 BCADHO CCC[C@H](CN[C@@H](C)C1C[NH2+]C1)OC ZINC000423147632 387926058 /nfs/dbraw/zinc/92/60/58/387926058.db2.gz SLUWTVYPUMNGHQ-GXSJLCMTSA-N 1 3 200.326 0.999 20 0 BCADHO CCC[C@H](C[NH2+][C@@H](C)C1CNC1)OC ZINC000423147632 387926061 /nfs/dbraw/zinc/92/60/61/387926061.db2.gz SLUWTVYPUMNGHQ-GXSJLCMTSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CCCCN1CCO ZINC000423149580 387928040 /nfs/dbraw/zinc/92/80/40/387928040.db2.gz XUPNWBODHGOJFY-XQQFMLRXSA-N 1 3 243.395 0.549 20 0 BCADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])C(=O)NC ZINC000423167610 387953272 /nfs/dbraw/zinc/95/32/72/387953272.db2.gz SPVPMYMPEFHELY-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO Cn1nccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533546 387937815 /nfs/dbraw/zinc/93/78/15/387937815.db2.gz PECOPLUTVMQINP-LLVKDONJSA-N 1 3 222.336 0.852 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424237326 387942140 /nfs/dbraw/zinc/94/21/40/387942140.db2.gz JZXYHNUMBSAWAA-NSHDSACASA-N 1 3 237.303 0.366 20 0 BCADHO C[C@@H](C(=O)NCCNc1ccncc1)[C@H](C)[NH3+] ZINC000645642550 387947889 /nfs/dbraw/zinc/94/78/89/387947889.db2.gz JDDYMDRDDUVMJF-ZJUUUORDSA-N 1 3 236.319 0.015 20 0 BCADHO C1CC1[C@@H](N[C@@H]1CCC[NH2+]C1)[C@H]1CNCCO1 ZINC000423197121 387981133 /nfs/dbraw/zinc/98/11/33/387981133.db2.gz XZGRVBPTJHVQJQ-JHJVBQTASA-N 1 3 239.363 0.095 20 0 BCADHO COCCN1CC[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423196950 387981396 /nfs/dbraw/zinc/98/13/96/387981396.db2.gz XAAPJVBOPYMSQY-RYUDHWBXSA-N 1 3 227.352 0.049 20 0 BCADHO C[NH2+]CCCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423201268 387987471 /nfs/dbraw/zinc/98/74/71/387987471.db2.gz OGSCVBBTMPMLRY-QWRGUYRKSA-N 1 3 211.353 0.811 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000423204704 387989162 /nfs/dbraw/zinc/98/91/62/387989162.db2.gz DKIDIZYCENBQPT-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423204704 387989164 /nfs/dbraw/zinc/98/91/64/387989164.db2.gz DKIDIZYCENBQPT-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO C1CC1[C@@H](N[C@@H]1CCC[NH2+]C1)[C@@H]1CNCCO1 ZINC000423197120 387982361 /nfs/dbraw/zinc/98/23/61/387982361.db2.gz XZGRVBPTJHVQJQ-FRRDWIJNSA-N 1 3 239.363 0.095 20 0 BCADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)[C@@H]1C ZINC000423219964 388001613 /nfs/dbraw/zinc/00/16/13/388001613.db2.gz XDIDNJGTCLNWHS-KXNHARMFSA-N 1 3 240.347 0.916 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000080993801 388005188 /nfs/dbraw/zinc/00/51/88/388005188.db2.gz FRFNDHLYENEHHE-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@H]1CCC[NH2+]1 ZINC000423229376 388015918 /nfs/dbraw/zinc/01/59/18/388015918.db2.gz BASYYRQXCQEJNA-NQBHXWOUSA-N 1 3 223.364 0.811 20 0 BCADHO CC[NH2+]CCN[C@H]1CN(C2CC2)C[C@H]1C ZINC000423252687 388035950 /nfs/dbraw/zinc/03/59/50/388035950.db2.gz YAPFMJFYFWWYCU-PWSUYJOCSA-N 1 3 211.353 0.668 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000423271440 388051861 /nfs/dbraw/zinc/05/18/61/388051861.db2.gz HLOKNFMDKCVZSA-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO C[N@H+](CCNC(=O)C1(N)CC1)C1CCCC1 ZINC000083836098 388063598 /nfs/dbraw/zinc/06/35/98/388063598.db2.gz FWXRYKKEOOKLCR-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[N@@H+](CCNC(=O)C1(N)CC1)C1CCCC1 ZINC000083836098 388063600 /nfs/dbraw/zinc/06/36/00/388063600.db2.gz FWXRYKKEOOKLCR-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CC(F)F ZINC000336657376 388069430 /nfs/dbraw/zinc/06/94/30/388069430.db2.gz LVRQCRCGKXJJCR-YUMQZZPRSA-N 1 3 237.294 0.425 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N)CN1C1CC1 ZINC000423287963 388073471 /nfs/dbraw/zinc/07/34/71/388073471.db2.gz PQTKALWLFOISSO-VHSXEESVSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H]1C[C@@H](NCC(C)(C)[NH3+])CN1C1CC1 ZINC000423287963 388073473 /nfs/dbraw/zinc/07/34/73/388073473.db2.gz PQTKALWLFOISSO-VHSXEESVSA-N 1 3 211.353 0.939 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000447507671 388074832 /nfs/dbraw/zinc/07/48/32/388074832.db2.gz ILSLYOSNLJWUTC-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000447514878 388076289 /nfs/dbraw/zinc/07/62/89/388076289.db2.gz ILSLYOSNLJWUTC-QJPTWQEYSA-N 1 3 241.379 0.829 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423294462 388077495 /nfs/dbraw/zinc/07/74/95/388077495.db2.gz CAIMKIZLFADBOG-WZRBSPASSA-N 1 3 237.347 0.339 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@@H]1CCN(CCOC)C1 ZINC000423267084 388045387 /nfs/dbraw/zinc/04/53/87/388045387.db2.gz DUETVWZLYXVYGM-VXGBXAGGSA-N 1 3 229.368 0.152 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423271184 388050003 /nfs/dbraw/zinc/05/00/03/388050003.db2.gz IRJGQDYYSFBWSX-GVXVVHGQSA-N 1 3 225.380 0.914 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423271181 388050048 /nfs/dbraw/zinc/05/00/48/388050048.db2.gz IRJGQDYYSFBWSX-DMDPSCGWSA-N 1 3 225.380 0.914 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C ZINC000449332435 388174246 /nfs/dbraw/zinc/17/42/46/388174246.db2.gz DGVGQMOLYPHVRL-UWVGGRQHSA-N 1 3 215.341 0.441 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@@H]2C1 ZINC000646297373 388178411 /nfs/dbraw/zinc/17/84/11/388178411.db2.gz DRFSKJCLNPIYMX-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCC1)C(C)(C)C[NH+](C)C ZINC000449362797 388182271 /nfs/dbraw/zinc/18/22/71/388182271.db2.gz KZXOEIHGGCLFFL-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N(C)C1CC1 ZINC000645906574 388123471 /nfs/dbraw/zinc/12/34/71/388123471.db2.gz SZUFQVJYMMEFJI-MWLCHTKSSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000646012648 388124044 /nfs/dbraw/zinc/12/40/44/388124044.db2.gz UWUZFCYNASVJDT-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H](C)C[NH2+]C ZINC000646012187 388124245 /nfs/dbraw/zinc/12/42/45/388124245.db2.gz HWOUBTCSVUVGDH-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070707 388137109 /nfs/dbraw/zinc/13/71/09/388137109.db2.gz KTBMNYFTNPNLAK-MNOVXSKESA-N 1 3 241.379 0.912 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000449118538 388145089 /nfs/dbraw/zinc/14/50/89/388145089.db2.gz SNYWYTCHVYZCBV-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000449118017 388145780 /nfs/dbraw/zinc/14/57/80/388145780.db2.gz RASHUYKABHLRRE-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000449665131 388250439 /nfs/dbraw/zinc/25/04/39/388250439.db2.gz MQBQMTUOWGXXAW-DTWKUNHWSA-N 1 3 249.305 0.331 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449539128 388227271 /nfs/dbraw/zinc/22/72/71/388227271.db2.gz VIANVBVPEFUJMG-PWSUYJOCSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CC(C)C ZINC000449596679 388239670 /nfs/dbraw/zinc/23/96/70/388239670.db2.gz BZQFCXNTWXDWDE-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]([NH3+])CC ZINC000449605364 388240219 /nfs/dbraw/zinc/24/02/19/388240219.db2.gz ZEOJTKWURORHQU-WCBMZHEXSA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])N(CC)CC ZINC000449604738 388240656 /nfs/dbraw/zinc/24/06/56/388240656.db2.gz UHVOESXRFNNQSI-OUAUKWLOSA-N 1 3 229.368 0.959 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449608733 388241560 /nfs/dbraw/zinc/24/15/60/388241560.db2.gz JTVDGLCODNAFMX-BIIVOSGPSA-N 1 3 237.294 0.459 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](CC)N(CC)CC ZINC000449611410 388243165 /nfs/dbraw/zinc/24/31/65/388243165.db2.gz VOOXDTBRAJUNJK-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449622301 388244609 /nfs/dbraw/zinc/24/46/09/388244609.db2.gz JTVDGLCODNAFMX-CSMHCCOUSA-N 1 3 237.294 0.459 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449624866 388244867 /nfs/dbraw/zinc/24/48/67/388244867.db2.gz NZHWTHBZVGHDJY-JGVFFNPUSA-N 1 3 237.294 0.603 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449631501 388246242 /nfs/dbraw/zinc/24/62/42/388246242.db2.gz KYKXRZJEKXCUOR-WOPDTQHZSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449631499 388246512 /nfs/dbraw/zinc/24/65/12/388246512.db2.gz KYKXRZJEKXCUOR-TUAOUCFPSA-N 1 3 241.379 0.994 20 0 BCADHO CN(C)C/C=C\C(=O)NCCCC[NH+](C)C ZINC000491865175 388325218 /nfs/dbraw/zinc/32/52/18/388325218.db2.gz HHNBDLLVUKKDGD-FPLPWBNLSA-N 1 3 227.352 0.562 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000491883752 388326266 /nfs/dbraw/zinc/32/62/66/388326266.db2.gz LMIGQTQRNWMPAM-FJOGCWAESA-N 1 3 239.363 0.514 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000491883752 388326267 /nfs/dbraw/zinc/32/62/67/388326267.db2.gz LMIGQTQRNWMPAM-FJOGCWAESA-N 1 3 239.363 0.514 20 0 BCADHO CN(C(=O)/C=C/C[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000491901825 388327045 /nfs/dbraw/zinc/32/70/45/388327045.db2.gz CHUZCESSFKZCQX-WMADIVHISA-N 1 3 239.363 0.657 20 0 BCADHO CCN1CCC[C@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491910863 388327383 /nfs/dbraw/zinc/32/73/83/388327383.db2.gz ZGMFSYQGNWFOGO-WMADIVHISA-N 1 3 239.363 0.705 20 0 BCADHO CCN1CCC[C@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491910859 388327477 /nfs/dbraw/zinc/32/74/77/388327477.db2.gz ZGMFSYQGNWFOGO-VFFGBVLKSA-N 1 3 239.363 0.705 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)/C=C/CN(C)C)C1 ZINC000491913629 388327746 /nfs/dbraw/zinc/32/77/46/388327746.db2.gz LSIKQQIYEQHZTB-ITKZLYELSA-N 1 3 239.363 0.562 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)/C=C/CN(C)C)C1 ZINC000491913629 388327747 /nfs/dbraw/zinc/32/77/47/388327747.db2.gz LSIKQQIYEQHZTB-ITKZLYELSA-N 1 3 239.363 0.562 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)/C=C/CN(C)C ZINC000492058492 388333201 /nfs/dbraw/zinc/33/32/01/388333201.db2.gz PMDNNLNTZFNHCZ-BQYQJAHWSA-N 1 3 241.379 0.952 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)/C=C/CN(C)C ZINC000492058492 388333202 /nfs/dbraw/zinc/33/32/02/388333202.db2.gz PMDNNLNTZFNHCZ-BQYQJAHWSA-N 1 3 241.379 0.952 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336311 388262311 /nfs/dbraw/zinc/26/23/11/388262311.db2.gz NQAQQKDDOVQAEF-GARJFASQSA-N 1 3 237.347 0.195 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336312 388262562 /nfs/dbraw/zinc/26/25/62/388262562.db2.gz NQAQQKDDOVQAEF-GMTAPVOTSA-N 1 3 237.347 0.195 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CCC1 ZINC000646338361 388272122 /nfs/dbraw/zinc/27/21/22/388272122.db2.gz JYWLYSDCTGUFLT-USWWRNFRSA-N 1 3 237.347 0.324 20 0 BCADHO CN1CC=C(CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492324900 388341558 /nfs/dbraw/zinc/34/15/58/388341558.db2.gz SBLUSJCUAGORCC-PLNGDYQASA-N 1 3 237.347 0.482 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385249 388348757 /nfs/dbraw/zinc/34/87/57/388348757.db2.gz ZUQGNOOTLZFFIB-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+]CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000516569020 388349529 /nfs/dbraw/zinc/34/95/29/388349529.db2.gz MBSVJLGWPSXNGX-LBPRGKRZSA-N 1 3 233.315 0.209 20 0 BCADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)CCC[NH3+] ZINC000646427830 388357101 /nfs/dbraw/zinc/35/71/01/388357101.db2.gz UGDLJWDXSKJCRV-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N(C)C ZINC000646427185 388357228 /nfs/dbraw/zinc/35/72/28/388357228.db2.gz RIRUIVRHMCKNTE-RKDXNWHRSA-N 1 3 213.325 0.051 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCCNCC1 ZINC000572719561 388369485 /nfs/dbraw/zinc/36/94/85/388369485.db2.gz BHPIVBXTMBTMJE-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000572713990 388369560 /nfs/dbraw/zinc/36/95/60/388369560.db2.gz RGVIHGZDIJEWJV-SECBINFHSA-N 1 3 245.392 0.325 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C ZINC000524652616 388370637 /nfs/dbraw/zinc/37/06/37/388370637.db2.gz VUCZCEOZUWWSCK-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C ZINC000524652616 388370638 /nfs/dbraw/zinc/37/06/38/388370638.db2.gz VUCZCEOZUWWSCK-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000235572114 388371567 /nfs/dbraw/zinc/37/15/67/388371567.db2.gz JASZTQHZGCOSBE-AXFHLTTASA-N 1 3 227.352 0.441 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000572760867 388374251 /nfs/dbraw/zinc/37/42/51/388374251.db2.gz GNRHGJZPPGJFDJ-OUJBWJOFSA-N 1 3 247.342 0.725 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646523206 388375024 /nfs/dbraw/zinc/37/50/24/388375024.db2.gz NQYGGEDGCIHUKL-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236755379 388382357 /nfs/dbraw/zinc/38/23/57/388382357.db2.gz MGGUKHOLZFJOMF-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)NCCCC[NH3+] ZINC000236841931 388384276 /nfs/dbraw/zinc/38/42/76/388384276.db2.gz IIIGUVFADRFLTP-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000236908179 388386284 /nfs/dbraw/zinc/38/62/84/388386284.db2.gz HMZYIDYEKRSSII-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000236908179 388386285 /nfs/dbraw/zinc/38/62/85/388386285.db2.gz HMZYIDYEKRSSII-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000165017085 388389175 /nfs/dbraw/zinc/38/91/75/388389175.db2.gz GMCPABWEOTXCMX-SDDRHHMPSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](CCNC(=O)CN)[N@H+](C)Cc1ccccc1 ZINC000237456260 388394906 /nfs/dbraw/zinc/39/49/06/388394906.db2.gz WKVMJSSJJQAEOG-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H](CCNC(=O)CN)[N@@H+](C)Cc1ccccc1 ZINC000237456260 388394910 /nfs/dbraw/zinc/39/49/10/388394910.db2.gz WKVMJSSJJQAEOG-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH2+]C2)CCN1C ZINC000237561456 388396942 /nfs/dbraw/zinc/39/69/42/388396942.db2.gz RVEFRBQVHMUWCM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](NC(=O)[C@H](N)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000572959580 388399043 /nfs/dbraw/zinc/39/90/43/388399043.db2.gz YBBRWMBNBNXBML-MVWJERBFSA-N 1 3 239.363 0.618 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000316148300 388406746 /nfs/dbraw/zinc/40/67/46/388406746.db2.gz JIHDYACTXZGIPE-SDDRHHMPSA-N 1 3 212.337 0.864 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649663 388401935 /nfs/dbraw/zinc/40/19/35/388401935.db2.gz PWDWWRNJSDKIMM-SFYZADRCSA-N 1 3 235.278 0.227 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CC ZINC000261536114 135171617 /nfs/dbraw/zinc/17/16/17/135171617.db2.gz QKNRZMMCCLXGGF-BDAKNGLRSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)(C[NH+]1CCCC1)NCCn1cncn1 ZINC000308635514 388446189 /nfs/dbraw/zinc/44/61/89/388446189.db2.gz ONQAHLLMKHNMDH-UHFFFAOYSA-N 1 3 237.351 0.742 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000626978486 388457569 /nfs/dbraw/zinc/45/75/69/388457569.db2.gz FPMPLMXBRVOLFI-SNVBAGLBSA-N 1 3 240.351 0.213 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000646682490 388415061 /nfs/dbraw/zinc/41/50/61/388415061.db2.gz ZXGICALNLODVQD-CYBMUJFWSA-N 1 3 247.342 0.599 20 0 BCADHO CCCN(C)CC(=O)NCC[NH2+]C1CC1 ZINC000646686831 388416370 /nfs/dbraw/zinc/41/63/70/388416370.db2.gz YLWIQYKQOPEMII-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO N[C@@H]1C[C@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220609 388434191 /nfs/dbraw/zinc/43/41/91/388434191.db2.gz HACRXBOHSUZUSF-WDEREUQCSA-N 1 3 223.320 0.030 20 0 BCADHO N[C@@H]1C[C@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220609 388434192 /nfs/dbraw/zinc/43/41/92/388434192.db2.gz HACRXBOHSUZUSF-WDEREUQCSA-N 1 3 223.320 0.030 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646769930 388493122 /nfs/dbraw/zinc/49/31/22/388493122.db2.gz LHTRWHPMBCRHIW-HBNTYKKESA-N 1 3 239.363 0.570 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH3+] ZINC000646783279 388501941 /nfs/dbraw/zinc/50/19/41/388501941.db2.gz ZPBOAJVVJGAVMK-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000516928048 388526291 /nfs/dbraw/zinc/52/62/91/388526291.db2.gz DELMKURPCDPDAO-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000564345811 388528585 /nfs/dbraw/zinc/52/85/85/388528585.db2.gz DAEAJZBBGYZEBY-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000564345811 388528587 /nfs/dbraw/zinc/52/85/87/388528587.db2.gz DAEAJZBBGYZEBY-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CNCCC1(F)F)[NH+](C)C ZINC000649306077 388590737 /nfs/dbraw/zinc/59/07/37/388590737.db2.gz YTKKHKVKNUXPHT-RKDXNWHRSA-N 1 3 249.305 0.298 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365094232 388564110 /nfs/dbraw/zinc/56/41/10/388564110.db2.gz NPGSRABAVLCKOQ-FXPVBKGRSA-N 1 3 211.309 0.064 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@@H]1NCC1(C)C ZINC000649295486 388573136 /nfs/dbraw/zinc/57/31/36/388573136.db2.gz OMEPKWHLZXECRI-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[C@@H](C(=O)NCC1CC[NH2+]CC1)N(C)C ZINC000522004061 388674192 /nfs/dbraw/zinc/67/41/92/388674192.db2.gz NAHCRBUHKFBLAE-LBPRGKRZSA-N 1 3 241.379 0.688 20 0 BCADHO CO[C@@H](C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000248413257 388678906 /nfs/dbraw/zinc/67/89/06/388678906.db2.gz FXUPILFFBFSEIT-QWRGUYRKSA-N 1 3 200.326 0.905 20 0 BCADHO CCN(C)CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248491771 388681964 /nfs/dbraw/zinc/68/19/64/388681964.db2.gz OFOAUTAFIAEXLA-IUCAKERBSA-N 1 3 201.314 0.038 20 0 BCADHO CCN(C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248491770 388682031 /nfs/dbraw/zinc/68/20/31/388682031.db2.gz OFOAUTAFIAEXLA-BDAKNGLRSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C1C[NH2+]C1 ZINC000530224360 388633827 /nfs/dbraw/zinc/63/38/27/388633827.db2.gz LPYFWEXHHFPABL-NDCWEZFPSA-N 1 3 212.337 0.996 20 0 BCADHO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C1CNC1 ZINC000530224360 388633831 /nfs/dbraw/zinc/63/38/31/388633831.db2.gz LPYFWEXHHFPABL-NDCWEZFPSA-N 1 3 212.337 0.996 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1COCCN1 ZINC000530222944 388633936 /nfs/dbraw/zinc/63/39/36/388633936.db2.gz IUIZWDKGAVBJDH-QJPTWQEYSA-N 1 3 227.352 0.082 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530222944 388633940 /nfs/dbraw/zinc/63/39/40/388633940.db2.gz IUIZWDKGAVBJDH-QJPTWQEYSA-N 1 3 227.352 0.082 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530223148 388634047 /nfs/dbraw/zinc/63/40/47/388634047.db2.gz OVCHITABKMLWBW-NDBYEHHHSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COCCN1 ZINC000530223148 388634048 /nfs/dbraw/zinc/63/40/48/388634048.db2.gz OVCHITABKMLWBW-NDBYEHHHSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COCCN1 ZINC000530223148 388634049 /nfs/dbraw/zinc/63/40/49/388634049.db2.gz OVCHITABKMLWBW-NDBYEHHHSA-N 1 3 241.379 0.293 20 0 BCADHO CCOC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000530232436 388636300 /nfs/dbraw/zinc/63/63/00/388636300.db2.gz PCVDVVYVKVFQKK-OLZOCXBDSA-N 1 3 242.363 0.723 20 0 BCADHO C[NH+](C)C[C@H](O)CN[C@H]1CCOC1(C)C ZINC000328394936 388643011 /nfs/dbraw/zinc/64/30/11/388643011.db2.gz PXNGMWPWRHCJOD-ZJUUUORDSA-N 1 3 216.325 0.066 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128158814 388740253 /nfs/dbraw/zinc/74/02/53/388740253.db2.gz GUNSNIKJYZKMJI-GHMZBOCLSA-N 1 3 227.352 0.713 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000248648004 388688388 /nfs/dbraw/zinc/68/83/88/388688388.db2.gz JBYBXOCSRLLDNZ-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248648004 388688389 /nfs/dbraw/zinc/68/83/89/388688389.db2.gz JBYBXOCSRLLDNZ-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000092950437 388822115 /nfs/dbraw/zinc/82/21/15/388822115.db2.gz WQNYABZGDYUFAR-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)NCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000564586792 388880493 /nfs/dbraw/zinc/88/04/93/388880493.db2.gz SKWRPBSBNTZXOE-SSDOTTSWSA-N 1 3 241.257 0.380 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261735297 388881886 /nfs/dbraw/zinc/88/18/86/388881886.db2.gz ORIHFUPZTXAHHN-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000564948507 388899558 /nfs/dbraw/zinc/89/95/58/388899558.db2.gz NFHNWDSIMDPKHD-NXEZZACHSA-N 1 3 245.392 0.325 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000564567104 388878676 /nfs/dbraw/zinc/87/86/76/388878676.db2.gz LQUPHQPCZVVPIZ-ATZCPNFKSA-N 1 3 225.336 0.241 20 0 BCADHO CC(C)CN(C(=O)CC[NH3+])C1CCN(C)CC1 ZINC000564992661 388906029 /nfs/dbraw/zinc/90/60/29/388906029.db2.gz ICQWPLQFZWQZFA-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000564994148 388906546 /nfs/dbraw/zinc/90/65/46/388906546.db2.gz NNLHJLDZCQHOGT-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000564994148 388906548 /nfs/dbraw/zinc/90/65/48/388906548.db2.gz NNLHJLDZCQHOGT-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565233678 388929697 /nfs/dbraw/zinc/92/96/97/388929697.db2.gz OJNHYPCGUDIDPF-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565233678 388929701 /nfs/dbraw/zinc/92/97/01/388929701.db2.gz OJNHYPCGUDIDPF-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CC1CCOCC1 ZINC000565897821 388977694 /nfs/dbraw/zinc/97/76/94/388977694.db2.gz KFKNLCQSZZGVBD-LBPRGKRZSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000566008496 388983678 /nfs/dbraw/zinc/98/36/78/388983678.db2.gz JXYMXKLQINMTPX-LLVKDONJSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062861117 169697810 /nfs/dbraw/zinc/69/78/10/169697810.db2.gz PKDXVFMOQOOSDQ-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO CC[NH+]1CCC(NCCc2nc(C)no2)CC1 ZINC000223811881 535474155 /nfs/dbraw/zinc/47/41/55/535474155.db2.gz TZWZGISYEDVRDU-UHFFFAOYSA-N 1 3 238.335 0.994 20 0 BCADHO C([C@H]1CCOC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000257669143 533377140 /nfs/dbraw/zinc/37/71/40/533377140.db2.gz HZNBWYBUTHUGRT-VXGBXAGGSA-N 1 3 210.321 0.708 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000157689267 133490589 /nfs/dbraw/zinc/49/05/89/133490589.db2.gz BVHONIOSPQITJS-QJPTWQEYSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCCC2)CC[C@H]1[NH3+] ZINC000335892266 133951992 /nfs/dbraw/zinc/95/19/92/133951992.db2.gz CLYKYTMNVYXLMZ-NXEZZACHSA-N 1 3 225.336 0.454 20 0 BCADHO O=C(NC[C@@H]1NCCc2ccccc21)C1C[NH2+]C1 ZINC000336114255 134087775 /nfs/dbraw/zinc/08/77/75/134087775.db2.gz QKGBMELNUYGYOY-ZDUSSCGKSA-N 1 3 245.326 0.209 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336212000 134134605 /nfs/dbraw/zinc/13/46/05/134134605.db2.gz BOPIGSDIWFYOOC-QYNFOATHSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@H]([NH3+])C1CCN(Cc2cncn2C)CC1 ZINC000085170824 134224712 /nfs/dbraw/zinc/22/47/12/134224712.db2.gz RVZJLEFBPVMPHM-JTQLQIEISA-N 1 3 222.336 0.979 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2(N)CC2)C1 ZINC000169026933 134248803 /nfs/dbraw/zinc/24/88/03/134248803.db2.gz AQJGYHUARXRVER-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000170786932 134254217 /nfs/dbraw/zinc/25/42/17/134254217.db2.gz JMOPRCGYUUJHOU-NXEZZACHSA-N 1 3 211.309 0.078 20 0 BCADHO C([C@@H]1CCCOC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282299 134274756 /nfs/dbraw/zinc/27/47/56/134274756.db2.gz HDJHWINSFNOYIX-SDDRHHMPSA-N 1 3 210.321 0.564 20 0 BCADHO COCCOCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000175671833 134286637 /nfs/dbraw/zinc/28/66/37/134286637.db2.gz KULYOJINRMHFOF-GFCCVEGCSA-N 1 3 230.352 0.533 20 0 BCADHO COCCOCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000175671833 134286638 /nfs/dbraw/zinc/28/66/38/134286638.db2.gz KULYOJINRMHFOF-GFCCVEGCSA-N 1 3 230.352 0.533 20 0 BCADHO COC(=O)CCN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177061447 134296950 /nfs/dbraw/zinc/29/69/50/134296950.db2.gz VBGKKOWCYITOHQ-WDEREUQCSA-N 1 3 228.336 0.964 20 0 BCADHO COC(=O)CCN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177061447 134296951 /nfs/dbraw/zinc/29/69/51/134296951.db2.gz VBGKKOWCYITOHQ-WDEREUQCSA-N 1 3 228.336 0.964 20 0 BCADHO COC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057280 134297041 /nfs/dbraw/zinc/29/70/41/134297041.db2.gz VQLCFBYGTNJVSP-UTUOFQBUSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057280 134297042 /nfs/dbraw/zinc/29/70/42/134297042.db2.gz VQLCFBYGTNJVSP-UTUOFQBUSA-N 1 3 230.352 0.408 20 0 BCADHO CCN(CCNC(=O)[C@H](C)C1C[NH2+]C1)C1CC1 ZINC000219907685 134297165 /nfs/dbraw/zinc/29/71/65/134297165.db2.gz YSTDIDGRFXOWKG-SNVBAGLBSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000178408619 134309967 /nfs/dbraw/zinc/30/99/67/134309967.db2.gz BFNGDJMMEZNFHK-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO C[NH2+]CCCC(=O)N1CCCN(C2CC2)CC1 ZINC000178747096 134310870 /nfs/dbraw/zinc/31/08/70/134310870.db2.gz KXWJMQVDJAKBMN-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCCN(C2CC2)CC1 ZINC000178747340 134310885 /nfs/dbraw/zinc/31/08/85/134310885.db2.gz KWCQGQJBKLCGCC-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CCN(CC)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178807123 134314856 /nfs/dbraw/zinc/31/48/56/134314856.db2.gz FTORPNIUFBEDBG-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815736 134315877 /nfs/dbraw/zinc/31/58/77/134315877.db2.gz ZMLYDHBTEYQVGX-MXWKQRLJSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815736 134315878 /nfs/dbraw/zinc/31/58/78/134315878.db2.gz ZMLYDHBTEYQVGX-MXWKQRLJSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000178867284 134316200 /nfs/dbraw/zinc/31/62/00/134316200.db2.gz IRJGTILJGFOWAD-SCVCMEIPSA-N 1 3 237.347 0.480 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179123271 134317440 /nfs/dbraw/zinc/31/74/40/134317440.db2.gz FBJBAKHHXZUXHO-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCOCCO)[C@@H](C)C1 ZINC000221794814 134326143 /nfs/dbraw/zinc/32/61/43/134326143.db2.gz ZWTYIDXJACTUMZ-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCOCCO)[C@@H](C)C1 ZINC000221794814 134326144 /nfs/dbraw/zinc/32/61/44/134326144.db2.gz ZWTYIDXJACTUMZ-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@]1(C)CCCCN1 ZINC000180897509 134332104 /nfs/dbraw/zinc/33/21/04/134332104.db2.gz OWVGIEPDCROBPU-PWSUYJOCSA-N 1 3 227.352 0.490 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000185204386 134375196 /nfs/dbraw/zinc/37/51/96/134375196.db2.gz WQJQLLRUZYXTMN-HBNTYKKESA-N 1 3 237.347 0.454 20 0 BCADHO C[NH+](C)CCOCCNCc1ccncc1 ZINC000231676484 134543259 /nfs/dbraw/zinc/54/32/59/134543259.db2.gz XPHGVISWTAQZDX-UHFFFAOYSA-N 1 3 223.320 0.749 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCCCC1 ZINC000086068259 134580265 /nfs/dbraw/zinc/58/02/65/134580265.db2.gz LRARIBNKLKHSLX-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCCC1 ZINC000248666374 135018390 /nfs/dbraw/zinc/01/83/90/135018390.db2.gz WQJQLLRUZYXTMN-GARJFASQSA-N 1 3 237.347 0.454 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248665841 135018714 /nfs/dbraw/zinc/01/87/14/135018714.db2.gz WIUINXFEVXUODW-NAKRPEOUSA-N 1 3 225.336 0.310 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000250395336 135053765 /nfs/dbraw/zinc/05/37/65/135053765.db2.gz YNAYMAZDMGLJSQ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000251309867 135068093 /nfs/dbraw/zinc/06/80/93/135068093.db2.gz JVHKYINWXHRIJD-NWDGAFQWSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H]1CN(CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251646577 135073086 /nfs/dbraw/zinc/07/30/86/135073086.db2.gz GEKSOVGSMWNEFB-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CCN(CCOCC[NH3+])C[C@@H]1CCCO1 ZINC000086435490 135084150 /nfs/dbraw/zinc/08/41/50/135084150.db2.gz FCOQCUVWKDNXKU-NSHDSACASA-N 1 3 216.325 0.463 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000252137365 135085062 /nfs/dbraw/zinc/08/50/62/135085062.db2.gz MSNJCURMHZQZBY-OPRDCNLKSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1COCCO1 ZINC000252385813 135087403 /nfs/dbraw/zinc/08/74/03/135087403.db2.gz KMEHOFPZBWQXGE-FVCCEPFGSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1COCCO1 ZINC000252385813 135087404 /nfs/dbraw/zinc/08/74/04/135087404.db2.gz KMEHOFPZBWQXGE-FVCCEPFGSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N(C)C ZINC000252714823 135101860 /nfs/dbraw/zinc/10/18/60/135101860.db2.gz TUTPJNIVOOPGBE-GRYCIOLGSA-N 1 3 213.369 0.866 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCCC[C@H]1C ZINC000262314289 135117883 /nfs/dbraw/zinc/11/78/83/135117883.db2.gz DEDYXMKZSQMKHG-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000252961122 135118041 /nfs/dbraw/zinc/11/80/41/135118041.db2.gz NYWPMZZRILMBFW-UPJWGTAASA-N 1 3 243.395 0.683 20 0 BCADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000262637739 135120260 /nfs/dbraw/zinc/12/02/60/135120260.db2.gz QPKKDBWWTZNWSJ-GHMZBOCLSA-N 1 3 227.352 0.393 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[NH2+]CC ZINC000261530797 135158780 /nfs/dbraw/zinc/15/87/80/135158780.db2.gz DDBBZESOTINKEE-JTQLQIEISA-N 1 3 201.314 0.230 20 0 BCADHO OCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000087647755 135161357 /nfs/dbraw/zinc/16/13/57/135161357.db2.gz FJHUOXOJDQBGNG-GFCCVEGCSA-N 1 3 212.337 0.690 20 0 BCADHO OCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000087647755 135161358 /nfs/dbraw/zinc/16/13/58/135161358.db2.gz FJHUOXOJDQBGNG-GFCCVEGCSA-N 1 3 212.337 0.690 20 0 BCADHO CC[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000261532096 135161614 /nfs/dbraw/zinc/16/16/14/135161614.db2.gz JCKIWZJTYLGQMG-QMMMGPOBSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H](C)N ZINC000261533873 135166090 /nfs/dbraw/zinc/16/60/90/135166090.db2.gz LNOAMCKVHPOMPK-WPRPVWTQSA-N 1 3 201.314 0.213 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CC ZINC000261536115 135171081 /nfs/dbraw/zinc/17/10/81/135171081.db2.gz QKNRZMMCCLXGGF-IUCAKERBSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)[C@](C)(CN)[NH2+]Cc1cnn(C)c1 ZINC000261537463 135173954 /nfs/dbraw/zinc/17/39/54/135173954.db2.gz VQYYIHZYJDXTIK-NSHDSACASA-N 1 3 210.325 0.883 20 0 BCADHO C[C@@H](O)C[C@H]1CCCN1CC(C)(C)[NH3+] ZINC000261538573 135176087 /nfs/dbraw/zinc/17/60/87/135176087.db2.gz YPZASNNSXXQWSF-NXEZZACHSA-N 1 3 200.326 0.959 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000261539259 135177632 /nfs/dbraw/zinc/17/76/32/135177632.db2.gz BYKUPXSJIBEBPF-SCZZXKLOSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000261539261 135177671 /nfs/dbraw/zinc/17/76/71/135177671.db2.gz BYKUPXSJIBEBPF-WPRPVWTQSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000261540144 135179330 /nfs/dbraw/zinc/17/93/30/135179330.db2.gz DWKWFORBWOYJLU-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000261541983 135181829 /nfs/dbraw/zinc/18/18/29/135181829.db2.gz GFXQQFIBKDJPIF-SDDRHHMPSA-N 1 3 210.321 0.564 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C ZINC000261542934 135183395 /nfs/dbraw/zinc/18/33/95/135183395.db2.gz HGSMODCCPVYXEW-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO COCC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000261543578 135184966 /nfs/dbraw/zinc/18/49/66/135184966.db2.gz UTRMNSBNZXJYCE-AVGNSLFASA-N 1 3 244.379 0.881 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000261555487 135195261 /nfs/dbraw/zinc/19/52/61/135195261.db2.gz VBTPBPFKXVDSAC-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000261555487 135195263 /nfs/dbraw/zinc/19/52/63/135195263.db2.gz VBTPBPFKXVDSAC-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H](O)[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261560373 135201520 /nfs/dbraw/zinc/20/15/20/135201520.db2.gz ZULZKWFFQGOQOA-QJPTWQEYSA-N 1 3 212.337 0.689 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000261562694 135204704 /nfs/dbraw/zinc/20/47/04/135204704.db2.gz BNMYPXDTMWHSKE-LPEHRKFASA-N 1 3 213.325 0.357 20 0 BCADHO COC(=O)[C@]1(C)CC[N@H+](CC(C)(C)N)C1 ZINC000261572844 135214802 /nfs/dbraw/zinc/21/48/02/135214802.db2.gz IKDNKKKHSBVPRJ-LLVKDONJSA-N 1 3 214.309 0.609 20 0 BCADHO COC(=O)[C@]1(C)CC[N@@H+](CC(C)(C)N)C1 ZINC000261572844 135214804 /nfs/dbraw/zinc/21/48/04/135214804.db2.gz IKDNKKKHSBVPRJ-LLVKDONJSA-N 1 3 214.309 0.609 20 0 BCADHO [NH3+]CCN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000261575487 135216921 /nfs/dbraw/zinc/21/69/21/135216921.db2.gz JUQDZWCOIIMLGX-AAEUAGOBSA-N 1 3 223.364 0.894 20 0 BCADHO CNC(=O)[C@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000261576326 135217664 /nfs/dbraw/zinc/21/76/64/135217664.db2.gz KGULJSJDXRVCPU-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CNC(=O)[C@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000261576326 135217665 /nfs/dbraw/zinc/21/76/65/135217665.db2.gz KGULJSJDXRVCPU-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000261598976 135236664 /nfs/dbraw/zinc/23/66/64/135236664.db2.gz ZQOBMEBPKTYWMB-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO C[C@@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)[C@H](C)[NH3+] ZINC000261547089 135239514 /nfs/dbraw/zinc/23/95/14/135239514.db2.gz LUJVSUVQHUJLFG-RGOKHQFPSA-N 1 3 213.325 0.179 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000261547594 135240843 /nfs/dbraw/zinc/24/08/43/135240843.db2.gz MOPJEKJYSCMILW-AEJSXWLSSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000261674101 135245337 /nfs/dbraw/zinc/24/53/37/135245337.db2.gz JHTUYAPGDSKJPT-JLLWLGSASA-N 1 3 237.347 0.337 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261685503 135245872 /nfs/dbraw/zinc/24/58/72/135245872.db2.gz CCGQXSLIMZQNKT-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000261693638 135245973 /nfs/dbraw/zinc/24/59/73/135245973.db2.gz BPQSFNSFNGIRRA-WOPDTQHZSA-N 1 3 212.337 0.546 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261719119 135247523 /nfs/dbraw/zinc/24/75/23/135247523.db2.gz CIBLXLXPHZSXKL-GFCCVEGCSA-N 1 3 227.352 0.524 20 0 BCADHO COC(=O)[C@@]1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261716677 135247689 /nfs/dbraw/zinc/24/76/89/135247689.db2.gz FFKNHJZTGJLLBK-OLZOCXBDSA-N 1 3 240.347 0.871 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000084420034 135249190 /nfs/dbraw/zinc/24/91/90/135249190.db2.gz OYTUXWGYZREOHX-VIFPVBQESA-N 1 3 213.325 0.276 20 0 BCADHO C[C@]1(CN2CC[C@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772832 135251697 /nfs/dbraw/zinc/25/16/97/135251697.db2.gz MWNFWAOEOSJXDL-RYUDHWBXSA-N 1 3 225.336 0.183 20 0 BCADHO COC(=O)C(C)(C)CCN1CC[C@@H](C[NH3+])C1 ZINC000261795927 135253347 /nfs/dbraw/zinc/25/33/47/135253347.db2.gz GNLNIEKAMCGMRN-JTQLQIEISA-N 1 3 228.336 0.856 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCCC[C@@H]1C ZINC000261871363 135259347 /nfs/dbraw/zinc/25/93/47/135259347.db2.gz QRUQHTRXGNOSKN-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000261900090 135261057 /nfs/dbraw/zinc/26/10/57/135261057.db2.gz YVSGLVHKLAHNFD-QXEWZRGKSA-N 1 3 225.336 0.323 20 0 BCADHO CNC(=O)[C@@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261925970 135263347 /nfs/dbraw/zinc/26/33/47/135263347.db2.gz CFHWTKRDQSEXFZ-DGCLKSJQSA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000261974500 135268065 /nfs/dbraw/zinc/26/80/65/135268065.db2.gz UZESHQWMUVRDMR-LLVKDONJSA-N 1 3 225.336 0.182 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000262070840 135277264 /nfs/dbraw/zinc/27/72/64/135277264.db2.gz SLAINNHHSXYAIS-LBPRGKRZSA-N 1 3 227.352 0.526 20 0 BCADHO C[C@]1(CN2CCC[C@@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075426 135277478 /nfs/dbraw/zinc/27/74/78/135277478.db2.gz SODZOHCUBWVQPD-AAEUAGOBSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000262178076 135284033 /nfs/dbraw/zinc/28/40/33/135284033.db2.gz WFMOUWWEYKYKMI-UPJWGTAASA-N 1 3 223.364 0.622 20 0 BCADHO C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000262178076 135284035 /nfs/dbraw/zinc/28/40/35/135284035.db2.gz WFMOUWWEYKYKMI-UPJWGTAASA-N 1 3 223.364 0.622 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)C ZINC000262187231 135284983 /nfs/dbraw/zinc/28/49/83/135284983.db2.gz ZKERIBJVXGVVPZ-DGCLKSJQSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)[C@@H](C(=O)NC1CC[NH2+]CC1)N(C)C ZINC000262494706 135302469 /nfs/dbraw/zinc/30/24/69/135302469.db2.gz BQPDSLKPMRKQIG-NSHDSACASA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH3+])CCC1 ZINC000342607709 135302961 /nfs/dbraw/zinc/30/29/61/135302961.db2.gz OJJOEVCCYYTIDA-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO NC1(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000262601524 135308137 /nfs/dbraw/zinc/30/81/37/135308137.db2.gz PIDWRKZDRGYTOY-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CC(C)C ZINC000262596518 135308178 /nfs/dbraw/zinc/30/81/78/135308178.db2.gz KZWFCRYUTXMTPR-MNOVXSKESA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N(C)C ZINC000262637745 135310498 /nfs/dbraw/zinc/31/04/98/135310498.db2.gz QPKKDBWWTZNWSJ-WDEREUQCSA-N 1 3 227.352 0.393 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647564 135311045 /nfs/dbraw/zinc/31/10/45/135311045.db2.gz TUWPOIKJYNCULT-OUAUKWLOSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342752397 135311240 /nfs/dbraw/zinc/31/12/40/135311240.db2.gz ONPGZGZMKDEWIG-USZNOCQGSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1C ZINC000262707852 135314326 /nfs/dbraw/zinc/31/43/26/135314326.db2.gz BYEQODHXNKXILT-NNYUYHANSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342723854 135314884 /nfs/dbraw/zinc/31/48/84/135314884.db2.gz UGWMMTYFOXNVQA-JTQLQIEISA-N 1 3 213.325 0.052 20 0 BCADHO NC1(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000262710839 135315002 /nfs/dbraw/zinc/31/50/02/135315002.db2.gz QHMOIPPRBLICND-NSHDSACASA-N 1 3 237.347 0.422 20 0 BCADHO CNCC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262730052 135315745 /nfs/dbraw/zinc/31/57/45/135315745.db2.gz CTNIPTFNPSFOKI-GFCCVEGCSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000262828990 135321173 /nfs/dbraw/zinc/32/11/73/135321173.db2.gz URFRQANPOQSWRB-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334324068 135353399 /nfs/dbraw/zinc/35/33/99/135353399.db2.gz KFZWAAYTEUDKQK-ZETCQYMHSA-N 1 3 237.278 0.757 20 0 BCADHO NC1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000334988427 135859214 /nfs/dbraw/zinc/85/92/14/135859214.db2.gz WWEGJTAZAYTALC-LLVKDONJSA-N 1 3 223.320 0.080 20 0 BCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000335282941 136000492 /nfs/dbraw/zinc/00/04/92/136000492.db2.gz ZPXWIZSPOKREJL-VXGBXAGGSA-N 1 3 239.363 0.858 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH3+] ZINC000335293640 136004996 /nfs/dbraw/zinc/00/49/96/136004996.db2.gz FNCALCBVGYZMJX-MNOVXSKESA-N 1 3 240.351 0.213 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C=C[C@@H](CO)C1 ZINC000348069702 136026372 /nfs/dbraw/zinc/02/63/72/136026372.db2.gz HXWDTMBLRKGART-LPWJVIDDSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C=C[C@@H](CO)C1 ZINC000348069702 136026373 /nfs/dbraw/zinc/02/63/73/136026373.db2.gz HXWDTMBLRKGART-LPWJVIDDSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1C=C[C@H](CO)C1 ZINC000348069705 136026596 /nfs/dbraw/zinc/02/65/96/136026596.db2.gz HXWDTMBLRKGART-VOAKCMCISA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C=C[C@H](CO)C1 ZINC000348069705 136026597 /nfs/dbraw/zinc/02/65/97/136026597.db2.gz HXWDTMBLRKGART-VOAKCMCISA-N 1 3 224.348 0.853 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CCNC(C)(C)C1 ZINC000335308165 136027749 /nfs/dbraw/zinc/02/77/49/136027749.db2.gz HKDMUDZWULUEMD-JTQLQIEISA-N 1 3 242.367 0.363 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000335347051 136067237 /nfs/dbraw/zinc/06/72/37/136067237.db2.gz QYVCVBGXKPVPEM-NXEZZACHSA-N 1 3 225.336 0.502 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335380577 136087526 /nfs/dbraw/zinc/08/75/26/136087526.db2.gz NKWFGZQEJBCDBM-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]1CN(C(=O)c2ccc3c(c2)CNC3)C[C@@H]1[NH3+] ZINC000335383240 136088209 /nfs/dbraw/zinc/08/82/09/136088209.db2.gz ADVRLBBPOVXOGZ-ZANVPECISA-N 1 3 245.326 0.709 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000335389048 136089923 /nfs/dbraw/zinc/08/99/23/136089923.db2.gz HOJKBKFDTAFJFX-DGCLKSJQSA-N 1 3 245.326 0.433 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000335395775 136092615 /nfs/dbraw/zinc/09/26/15/136092615.db2.gz KJBSXULNJMXPBQ-GXSJLCMTSA-N 1 3 239.363 0.570 20 0 BCADHO NC1(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCCC1 ZINC000335397088 136092981 /nfs/dbraw/zinc/09/29/81/136092981.db2.gz UVBVLKVJTKWYQD-GFCCVEGCSA-N 1 3 237.347 0.612 20 0 BCADHO CC1(C)CN(C(=O)CC[C@@H]2CC[NH2+]C2)CCN1 ZINC000335598491 136113885 /nfs/dbraw/zinc/11/38/85/136113885.db2.gz KKYPICKXXSIXKV-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H](C)N1 ZINC000644087171 397754392 /nfs/dbraw/zinc/75/43/92/397754392.db2.gz HSQGSZIDNJAQPI-BBBLOLIVSA-N 1 3 225.336 0.193 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000446361579 397947763 /nfs/dbraw/zinc/94/77/63/397947763.db2.gz CRPKZVUGDHQVJB-WDEREUQCSA-N 1 3 245.342 0.533 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H]1C[C@H](F)CN1)C(C)C ZINC000446361579 397947769 /nfs/dbraw/zinc/94/77/69/397947769.db2.gz CRPKZVUGDHQVJB-WDEREUQCSA-N 1 3 245.342 0.533 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446361218 397947794 /nfs/dbraw/zinc/94/77/94/397947794.db2.gz YZKCFKPIIMPVKR-NHCYSSNCSA-N 1 3 237.347 0.195 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[N@H+](C)CC ZINC000054133347 397903466 /nfs/dbraw/zinc/90/34/66/397903466.db2.gz AJBYAFPWFHMKST-NSHDSACASA-N 1 3 215.341 0.572 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[N@@H+](C)CC ZINC000054133347 397903468 /nfs/dbraw/zinc/90/34/68/397903468.db2.gz AJBYAFPWFHMKST-NSHDSACASA-N 1 3 215.341 0.572 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)CN(C)C ZINC000418202502 397992018 /nfs/dbraw/zinc/99/20/18/397992018.db2.gz IYIASUHWAILAPB-JTQLQIEISA-N 1 3 244.383 0.753 20 0 BCADHO CN(C)CCN(C)C(=O)NCCC[NH2+]C1CC1 ZINC000418284730 397999742 /nfs/dbraw/zinc/99/97/42/397999742.db2.gz NFIFFZMUZLWOPX-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000164995869 398001429 /nfs/dbraw/zinc/00/14/29/398001429.db2.gz PYPCRECCRQFSHS-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000164995869 398001432 /nfs/dbraw/zinc/00/14/32/398001432.db2.gz PYPCRECCRQFSHS-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO COC[C@@H]1CN(C[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414705222 398021605 /nfs/dbraw/zinc/02/16/05/398021605.db2.gz NSCOJXBHMGSBRK-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000383585837 398030209 /nfs/dbraw/zinc/03/02/09/398030209.db2.gz GNFDNYZAPOAHJK-OLZOCXBDSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000383585837 398030211 /nfs/dbraw/zinc/03/02/11/398030211.db2.gz GNFDNYZAPOAHJK-OLZOCXBDSA-N 1 3 244.379 0.392 20 0 BCADHO CC[C@@H]1CN(CCC(=O)N(C)CC)CC[C@H]1[NH3+] ZINC000647934790 398034228 /nfs/dbraw/zinc/03/42/28/398034228.db2.gz QGNFYFJERRLDCQ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564726871 398039567 /nfs/dbraw/zinc/03/95/67/398039567.db2.gz NEVMUPTWLCZFRT-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000582676820 398041448 /nfs/dbraw/zinc/04/14/48/398041448.db2.gz KQISDXXEQWBGHC-VHSXEESVSA-N 1 3 213.325 0.100 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](CO)C1 ZINC000398807691 398063345 /nfs/dbraw/zinc/06/33/45/398063345.db2.gz OKVXHEDPJLENCE-UPJWGTAASA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@@H](CO)C1 ZINC000398807691 398063346 /nfs/dbraw/zinc/06/33/46/398063346.db2.gz OKVXHEDPJLENCE-UPJWGTAASA-N 1 3 244.379 0.249 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000646707325 398085582 /nfs/dbraw/zinc/08/55/82/398085582.db2.gz QKPICYRWDAEWLV-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CCO[C@H]1C[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000566121466 398096625 /nfs/dbraw/zinc/09/66/25/398096625.db2.gz HGLWMVSAMCLJGO-WCFLWFBJSA-N 1 3 242.363 0.599 20 0 BCADHO CCO[C@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566121466 398096629 /nfs/dbraw/zinc/09/66/29/398096629.db2.gz HGLWMVSAMCLJGO-WCFLWFBJSA-N 1 3 242.363 0.599 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H](N)CC(F)F ZINC000566199666 398098862 /nfs/dbraw/zinc/09/88/62/398098862.db2.gz CHCVUIABXVXWKS-MRVPVSSYSA-N 1 3 237.294 0.473 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NCCN(C)C1CC1 ZINC000061995880 398110881 /nfs/dbraw/zinc/11/08/81/398110881.db2.gz JSGAZZFUVXBKKV-LLVKDONJSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCc2cn[nH]c2)C1 ZINC000389708068 398125287 /nfs/dbraw/zinc/12/52/87/398125287.db2.gz LJYQNXWRVDUPJP-ONGXEEELSA-N 1 3 208.309 0.621 20 0 BCADHO C[NH2+]CC(=O)NCCN1CCC[C@H](C)C1 ZINC000237224264 173329545 /nfs/dbraw/zinc/32/95/45/173329545.db2.gz JUNMVCZQZHPGAD-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO C[NH2+]CCCN1CCN(C2CCC2)CC1 ZINC000336907393 173347045 /nfs/dbraw/zinc/34/70/45/173347045.db2.gz YWFLVUZARREKAZ-UHFFFAOYSA-N 1 3 211.353 0.766 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037610133 167098073 /nfs/dbraw/zinc/09/80/73/167098073.db2.gz YHRGXKDFFOLXKL-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367462095 167107254 /nfs/dbraw/zinc/10/72/54/167107254.db2.gz CUDOTFZGOCTKHS-AAEUAGOBSA-N 1 3 239.363 0.631 20 0 BCADHO N[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000428905310 487563655 /nfs/dbraw/zinc/56/36/55/487563655.db2.gz JYKUEVRHJZMQOV-FRRDWIJNSA-N 1 3 247.342 0.930 20 0 BCADHO NCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000113078962 487563845 /nfs/dbraw/zinc/56/38/45/487563845.db2.gz OAYXURMZLJBJOJ-LLVKDONJSA-N 1 3 235.287 0.245 20 0 BCADHO [NH3+]C1(CC(=O)N2CCCNCC2)CCC1 ZINC000086853261 487569866 /nfs/dbraw/zinc/56/98/66/487569866.db2.gz PUIVRLTVQJVRFO-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662263834 409562023 /nfs/dbraw/zinc/56/20/23/409562023.db2.gz OUBKGUCVFQWMBJ-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662263834 409562030 /nfs/dbraw/zinc/56/20/30/409562030.db2.gz OUBKGUCVFQWMBJ-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO C[C@@H]1CCCN(C[C@H]2CNCCO2)[C@@H]1C[NH3+] ZINC000662244079 409536057 /nfs/dbraw/zinc/53/60/57/409536057.db2.gz GKXOKXLLQCJRHM-IJLUTSLNSA-N 1 3 227.352 0.034 20 0 BCADHO CCC[C@H]1C[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000662267736 409570742 /nfs/dbraw/zinc/57/07/42/409570742.db2.gz YHYAOUOVOYOSEO-RYUDHWBXSA-N 1 3 227.352 0.049 20 0 BCADHO CCN1CC[C@@H](N2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000662246061 409541130 /nfs/dbraw/zinc/54/11/30/409541130.db2.gz NMOZIZQXYZCDHQ-ZYHUDNBSSA-N 1 3 239.363 0.666 20 0 BCADHO NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294148 409624951 /nfs/dbraw/zinc/62/49/51/409624951.db2.gz PMFLXCUMPPULIA-LLVKDONJSA-N 1 3 225.336 0.183 20 0 BCADHO [NH3+]CCOCCN1CCC(c2ccon2)CC1 ZINC000662315168 409634886 /nfs/dbraw/zinc/63/48/86/409634886.db2.gz COTHGJJQZSAOBX-UHFFFAOYSA-N 1 3 239.319 0.829 20 0 BCADHO [NH3+][C@H]1Cc2ccccc2N(C[C@@H]2CNCCO2)C1 ZINC000662280534 409600294 /nfs/dbraw/zinc/60/02/94/409600294.db2.gz DUYLACCPTZNSAJ-STQMWFEESA-N 1 3 247.342 0.365 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]C1)C1(NC2CC2)CCC1 ZINC000662394865 409696506 /nfs/dbraw/zinc/69/65/06/409696506.db2.gz DMZGQOAFYISIMG-LLVKDONJSA-N 1 3 237.347 0.529 20 0 BCADHO CC(C)([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662422882 409706075 /nfs/dbraw/zinc/70/60/75/409706075.db2.gz BAMNDODXMNUBCQ-UHFFFAOYSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H](C)C[NH3+] ZINC000662692718 409841300 /nfs/dbraw/zinc/84/13/00/409841300.db2.gz FYPHDAUGKJLJDN-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000662623619 409792094 /nfs/dbraw/zinc/79/20/94/409792094.db2.gz ZKKVNGZMKYOTNE-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662623663 409795478 /nfs/dbraw/zinc/79/54/78/409795478.db2.gz ZOGIWTWRAARMEV-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CCNC(=O)[C@H](N)CC(F)F)[NH+](C)C ZINC000662635452 409806649 /nfs/dbraw/zinc/80/66/49/409806649.db2.gz WEZXWHJSTYOBBC-HTQZYQBOSA-N 1 3 237.294 0.425 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC1([NH3+])CCCC1 ZINC000662656130 409817629 /nfs/dbraw/zinc/81/76/29/409817629.db2.gz UZLLQFQTGNQYDC-NSHDSACASA-N 1 3 227.352 0.892 20 0 BCADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000662782692 409913506 /nfs/dbraw/zinc/91/35/06/409913506.db2.gz FYMSBAMXWIJUKL-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662784762 409917257 /nfs/dbraw/zinc/91/72/57/409917257.db2.gz WZSWJHHKWXZNNL-SECBINFHSA-N 1 3 225.336 0.502 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000662720004 409869521 /nfs/dbraw/zinc/86/95/21/409869521.db2.gz NXJHRDLCKMTRTP-SRVKXCTJSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H]1NCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H]1C ZINC000662775112 409894953 /nfs/dbraw/zinc/89/49/53/409894953.db2.gz PYPDCSBSZZJAFJ-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000660925702 409975005 /nfs/dbraw/zinc/97/50/05/409975005.db2.gz FHVCEAUNOLJWIB-AAEUAGOBSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000660925702 409975011 /nfs/dbraw/zinc/97/50/11/409975011.db2.gz FHVCEAUNOLJWIB-AAEUAGOBSA-N 1 3 244.379 0.533 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839437 409949922 /nfs/dbraw/zinc/94/99/22/409949922.db2.gz QPRWLDURWSQYMO-SDDRHHMPSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839437 409949929 /nfs/dbraw/zinc/94/99/29/409949929.db2.gz QPRWLDURWSQYMO-SDDRHHMPSA-N 1 3 239.363 0.857 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCC1 ZINC000653194052 410160449 /nfs/dbraw/zinc/16/04/49/410160449.db2.gz SMACXWLAXAHSDC-JQWIXIFHSA-N 1 3 237.347 0.455 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198120 410160616 /nfs/dbraw/zinc/16/06/16/410160616.db2.gz JQRMCMGHPHBNMA-GVXVVHGQSA-N 1 3 239.363 0.557 20 0 BCADHO CC[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653226002 410173275 /nfs/dbraw/zinc/17/32/75/410173275.db2.gz NOQKSSORTCPFCL-NSHDSACASA-N 1 3 239.294 0.638 20 0 BCADHO CC1(C)CN(CCOCC[NH3+])CCCO1 ZINC000308980075 410192206 /nfs/dbraw/zinc/19/22/06/410192206.db2.gz HUQZWBXBABJGDP-UHFFFAOYSA-N 1 3 216.325 0.463 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)[C@H](C)NC)CC1 ZINC000655445721 410268107 /nfs/dbraw/zinc/26/81/07/410268107.db2.gz KAEHULXUFWLXFJ-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000309198667 410268455 /nfs/dbraw/zinc/26/84/55/410268455.db2.gz BAMXDZCALAOIIB-NEPJUHHUSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000309198667 410268460 /nfs/dbraw/zinc/26/84/60/410268460.db2.gz BAMXDZCALAOIIB-NEPJUHHUSA-N 1 3 232.368 0.390 20 0 BCADHO O=C(NCCC1CC[NH2+]CC1)[C@H]1CCCCN1 ZINC000653266994 410309286 /nfs/dbraw/zinc/30/92/86/410309286.db2.gz JCLCDQPNWIZTOT-GFCCVEGCSA-N 1 3 239.363 0.634 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743633 410377615 /nfs/dbraw/zinc/37/76/15/410377615.db2.gz XZRNURBBYMQLGV-ZNSHCXBVSA-N 1 3 225.336 0.357 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130008202 410392932 /nfs/dbraw/zinc/39/29/32/410392932.db2.gz RITOVKUCEWZJQY-NXEZZACHSA-N 1 3 227.352 0.476 20 0 BCADHO CC(C)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889525 410571483 /nfs/dbraw/zinc/57/14/83/410571483.db2.gz NMOSZJJWOWJLFG-LBPRGKRZSA-N 1 3 211.353 0.622 20 0 BCADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)[C@@H]1CCOC1 ZINC000665234970 410726368 /nfs/dbraw/zinc/72/63/68/410726368.db2.gz NEBFCJPPFLRQHD-FDYHWXHSSA-N 1 3 242.363 0.755 20 0 BCADHO CC[C@@H](Cn1cncn1)[NH2+]CC1(N)CCCC1 ZINC000665246451 410730603 /nfs/dbraw/zinc/73/06/03/410730603.db2.gz GCUFWBRGHOARBI-NSHDSACASA-N 1 3 237.351 0.918 20 0 BCADHO CC[C@@H](Cn1cncn1)NCC1([NH3+])CCCC1 ZINC000665246451 410730608 /nfs/dbraw/zinc/73/06/08/410730608.db2.gz GCUFWBRGHOARBI-NSHDSACASA-N 1 3 237.351 0.918 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000655486672 410784744 /nfs/dbraw/zinc/78/47/44/410784744.db2.gz YAUPUANVAFMPBG-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489384 410797963 /nfs/dbraw/zinc/79/79/63/410797963.db2.gz PUWOJHLFRDCYLS-LOWVWBTDSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396446568 410882853 /nfs/dbraw/zinc/88/28/53/410882853.db2.gz CTPSTJWCSQATQB-PWSUYJOCSA-N 1 3 241.379 0.816 20 0 BCADHO CNCC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396434653 410883205 /nfs/dbraw/zinc/88/32/05/410883205.db2.gz LGYNNVMWQYZPTD-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396438958 410883955 /nfs/dbraw/zinc/88/39/55/410883955.db2.gz QQNFIJSVDXMRQC-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)N1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332713361 167033755 /nfs/dbraw/zinc/03/37/55/167033755.db2.gz PISCDLQKLWIPOR-IJLUTSLNSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@H](C)N1CCCCC1 ZINC000038029519 167097026 /nfs/dbraw/zinc/09/70/26/167097026.db2.gz OLGYKMNTDRPORR-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037610133 167098071 /nfs/dbraw/zinc/09/80/71/167098071.db2.gz YHRGXKDFFOLXKL-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[NH2+]CCN1CCCN([C@@H](C)CO)CC1 ZINC000377068680 167103958 /nfs/dbraw/zinc/10/39/58/167103958.db2.gz SQNALXKKAHSATA-ZDUSSCGKSA-N 1 3 243.395 0.373 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N(C)C ZINC000126146098 167344698 /nfs/dbraw/zinc/34/46/98/167344698.db2.gz SRLFZJIUQILYHT-ZJUUUORDSA-N 1 3 213.325 0.051 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000376387291 167345555 /nfs/dbraw/zinc/34/55/55/167345555.db2.gz PVNDSYHQHFXGMO-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N(C)C1CCN(C)CC1 ZINC000044793717 167395785 /nfs/dbraw/zinc/39/57/85/167395785.db2.gz SPVNAHNUXKSRGS-GFCCVEGCSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NCCN1CCCCC1 ZINC000044806746 167395912 /nfs/dbraw/zinc/39/59/12/167395912.db2.gz DMQXTBBGDZRHNK-GFCCVEGCSA-N 1 3 241.379 0.819 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C1CCC1)[NH+]1CCCC1 ZINC000399088774 411014326 /nfs/dbraw/zinc/01/43/26/411014326.db2.gz VRKJCFOSGCKWKA-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000516928148 411132010 /nfs/dbraw/zinc/13/20/10/411132010.db2.gz IXYAIAJZNQOBPT-ZYHUDNBSSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)C1 ZINC000044538957 411137519 /nfs/dbraw/zinc/13/75/19/411137519.db2.gz BAZFUDSHGWZUKR-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)N ZINC000309375578 411113932 /nfs/dbraw/zinc/11/39/32/411113932.db2.gz CNSSPEFCZZOCRQ-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504551 411115064 /nfs/dbraw/zinc/11/50/64/411115064.db2.gz FHHOFDQWTAXZIB-SVRRBLITSA-N 1 3 241.257 0.510 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655504548 411115115 /nfs/dbraw/zinc/11/51/15/411115115.db2.gz FHHOFDQWTAXZIB-HTRCEHHLSA-N 1 3 241.257 0.510 20 0 BCADHO CC[C@H]1CN(C(=O)C(C)(C)N)CC[C@H]1[NH3+] ZINC000309382806 411120524 /nfs/dbraw/zinc/12/05/24/411120524.db2.gz DNMIBPWVBBIHMA-DTWKUNHWSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000309409473 411242273 /nfs/dbraw/zinc/24/22/73/411242273.db2.gz IKJYCTXVZFAWPR-BBBLOLIVSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)N(CCCC1CC[NH2+]CC1)CC(N)=O ZINC000401048798 411174230 /nfs/dbraw/zinc/17/42/30/411174230.db2.gz JXVPTDFAJBMENY-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132956531 411177414 /nfs/dbraw/zinc/17/74/14/411177414.db2.gz MMOYFRJKGAWXFH-DCAQKATOSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132956531 411177417 /nfs/dbraw/zinc/17/74/17/411177417.db2.gz MMOYFRJKGAWXFH-DCAQKATOSA-N 1 3 227.352 0.569 20 0 BCADHO CCn1cnnc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656197418 411203408 /nfs/dbraw/zinc/20/34/08/411203408.db2.gz HXKMSIRRBLCVCM-WDEREUQCSA-N 1 3 237.351 0.700 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000652338358 411204711 /nfs/dbraw/zinc/20/47/11/411204711.db2.gz XARHELWDFFILMV-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCCOC(C)(C)C1 ZINC000652338358 411204714 /nfs/dbraw/zinc/20/47/14/411204714.db2.gz XARHELWDFFILMV-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO Cn1cnc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)n1 ZINC000656200447 411205387 /nfs/dbraw/zinc/20/53/87/411205387.db2.gz QDCQNKOPAUELLE-MNOVXSKESA-N 1 3 237.351 0.607 20 0 BCADHO Cn1cnc(CCCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000656200447 411205390 /nfs/dbraw/zinc/20/53/90/411205390.db2.gz QDCQNKOPAUELLE-MNOVXSKESA-N 1 3 237.351 0.607 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000335479366 411210734 /nfs/dbraw/zinc/21/07/34/411210734.db2.gz MXWZPFISUKZLDY-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO c1nncn1CC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000652353118 411211868 /nfs/dbraw/zinc/21/18/68/411211868.db2.gz DFJMTRFDNIUFBW-CYBMUJFWSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)C(C)(C)C ZINC000308859372 411221938 /nfs/dbraw/zinc/22/19/38/411221938.db2.gz QYYPTBZTQGXWJU-HTQZYQBOSA-N 1 3 201.314 0.071 20 0 BCADHO CC(C)C[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000310217768 411224673 /nfs/dbraw/zinc/22/46/73/411224673.db2.gz FKTUCLGDWAUPAH-AAEUAGOBSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)C[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000310217768 411224677 /nfs/dbraw/zinc/22/46/77/411224677.db2.gz FKTUCLGDWAUPAH-AAEUAGOBSA-N 1 3 244.379 0.438 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000659612355 411235907 /nfs/dbraw/zinc/23/59/07/411235907.db2.gz WDLJTHMKBDDHCT-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO [NH3+]CCCn1cc(CCN2CCCCC2)nn1 ZINC000656435792 411247830 /nfs/dbraw/zinc/24/78/30/411247830.db2.gz JEGNKWHHUTUJNS-UHFFFAOYSA-N 1 3 237.351 0.655 20 0 BCADHO CNC(=O)[C@@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000396729300 411240292 /nfs/dbraw/zinc/24/02/92/411240292.db2.gz CUQVALHMGVSAOU-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CNC(=O)[C@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000396729301 411240871 /nfs/dbraw/zinc/24/08/71/411240871.db2.gz CUQVALHMGVSAOU-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO OC/C=C/CNC1CC[NH+](C2CC2)CC1 ZINC000658140229 411265021 /nfs/dbraw/zinc/26/50/21/411265021.db2.gz UOPMTGADBRJYDW-OWOJBTEDSA-N 1 3 210.321 0.751 20 0 BCADHO C[C@H](C[NH3+])n1cc(CCN2CCCCC2)nn1 ZINC000656458206 411268350 /nfs/dbraw/zinc/26/83/50/411268350.db2.gz PPHUGCSKVSFBNX-LLVKDONJSA-N 1 3 237.351 0.826 20 0 BCADHO CCN(CCN1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000402599003 411270345 /nfs/dbraw/zinc/27/03/45/411270345.db2.gz PXEXRGSVTMMLCT-ZDUSSCGKSA-N 1 3 241.379 0.393 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000394672048 411276493 /nfs/dbraw/zinc/27/64/93/411276493.db2.gz XWMIROLHVABTDA-OUAUKWLOSA-N 1 3 216.325 0.101 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000659642164 411277695 /nfs/dbraw/zinc/27/76/95/411277695.db2.gz VVYUUFIPVBUMGW-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000659642183 411277745 /nfs/dbraw/zinc/27/77/45/411277745.db2.gz JTASSOOJHGNRTL-GHMZBOCLSA-N 1 3 242.367 0.330 20 0 BCADHO c1c(CNCC2CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656466735 411279396 /nfs/dbraw/zinc/27/93/96/411279396.db2.gz HNNMXDSOOMLCJM-LLVKDONJSA-N 1 3 221.308 0.312 20 0 BCADHO CC[C@@H](N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000130422411 411283498 /nfs/dbraw/zinc/28/34/98/411283498.db2.gz SPCRRSUTWZUDIB-SNVBAGLBSA-N 1 3 239.323 0.121 20 0 BCADHO NC(=[NH2+])NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000656508470 411288376 /nfs/dbraw/zinc/28/83/76/411288376.db2.gz GVKLVWOQHXIRGV-GFCCVEGCSA-N 1 3 248.330 0.236 20 0 BCADHO CC(C)NCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000659302114 411294296 /nfs/dbraw/zinc/29/42/96/411294296.db2.gz GUILFNXDCLIUMS-LBPRGKRZSA-N 1 3 227.352 0.490 20 0 BCADHO CC(C)NCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000659302333 411294366 /nfs/dbraw/zinc/29/43/66/411294366.db2.gz ICSISVMCUKCSLY-SDDRHHMPSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[NH2+]CC(=O)NCc1ccc2c(c1)CNC2 ZINC000659302960 411295484 /nfs/dbraw/zinc/29/54/84/411295484.db2.gz CZZILZKXQOKLHP-UHFFFAOYSA-N 1 3 247.342 0.904 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331900798 167902492 /nfs/dbraw/zinc/90/24/92/167902492.db2.gz SFRUFWWBJNURCZ-QWRGUYRKSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@H]1CNC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759490 411318197 /nfs/dbraw/zinc/31/81/97/411318197.db2.gz HCCNBXBRYJMGRE-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1C[NH2+]C[C@@H](NCCCn2ccnc2)C1 ZINC000401759490 411318199 /nfs/dbraw/zinc/31/81/99/411318199.db2.gz HCCNBXBRYJMGRE-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO NCc1cccc2c1N(CCOCC[NH3+])CCC2 ZINC000629558933 411324713 /nfs/dbraw/zinc/32/47/13/411324713.db2.gz ATSNRMYGDSGKTJ-UHFFFAOYSA-N 1 3 249.358 0.873 20 0 BCADHO NCc1cccc(NC(=O)CCC[NH3+])c1 ZINC000050285694 411256288 /nfs/dbraw/zinc/25/62/88/411256288.db2.gz DXDKWWYZHONQJQ-UHFFFAOYSA-N 1 3 207.277 0.823 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000130567633 411358240 /nfs/dbraw/zinc/35/82/40/411358240.db2.gz ISLJZUGIEBXEOJ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO c1cn(C[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787584 411366132 /nfs/dbraw/zinc/36/61/32/411366132.db2.gz NXTLPRKJSIMVDP-CHWSQXEVSA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)nn1 ZINC000656787584 411366136 /nfs/dbraw/zinc/36/61/36/411366136.db2.gz NXTLPRKJSIMVDP-CHWSQXEVSA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)nn1 ZINC000656787584 411366141 /nfs/dbraw/zinc/36/61/41/411366141.db2.gz NXTLPRKJSIMVDP-CHWSQXEVSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@]1(CN2CC[C@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786839 411366180 /nfs/dbraw/zinc/36/61/80/411366180.db2.gz AZINWEUWBLLRMF-STQMWFEESA-N 1 3 249.362 0.600 20 0 BCADHO COC[C@H](C)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662156146 411368939 /nfs/dbraw/zinc/36/89/39/411368939.db2.gz KPOFJGJENQZGEU-AAEUAGOBSA-N 1 3 242.363 0.552 20 0 BCADHO COC[C@H](C)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662156155 411369309 /nfs/dbraw/zinc/36/93/09/411369309.db2.gz KPOFJGJENQZGEU-WCQYABFASA-N 1 3 242.363 0.552 20 0 BCADHO C[C@]1(CN2C[C@@H]3COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656790885 411370873 /nfs/dbraw/zinc/37/08/73/411370873.db2.gz BXMDPJRNCJGPQA-AGIUHOORSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]1(CN2C[C@H]3COC[C@]3(C)C2)CC[NH2+]C1 ZINC000656790890 411371221 /nfs/dbraw/zinc/37/12/21/411371221.db2.gz BXMDPJRNCJGPQA-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CNC[C@]1(C)CC1(F)F ZINC000656710567 411335949 /nfs/dbraw/zinc/33/59/49/411335949.db2.gz KAFOOKPBFRNRKS-UWVGGRQHSA-N 1 3 236.306 0.934 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CNC[C@]1(C)CC1(F)F ZINC000656710567 411335951 /nfs/dbraw/zinc/33/59/51/411335951.db2.gz KAFOOKPBFRNRKS-UWVGGRQHSA-N 1 3 236.306 0.934 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000659313014 411337261 /nfs/dbraw/zinc/33/72/61/411337261.db2.gz KTMGPULAWQXGEZ-JTQLQIEISA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H](CNC(=O)CC[NH3+])N1CCC(C)CC1 ZINC000236626854 168186834 /nfs/dbraw/zinc/18/68/34/168186834.db2.gz HWPLHXMRKJPMDS-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CN1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000069633515 411458033 /nfs/dbraw/zinc/45/80/33/411458033.db2.gz OHXPIMZMQFCEQE-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C[C@H](C)[NH3+] ZINC000638277671 411460259 /nfs/dbraw/zinc/46/02/59/411460259.db2.gz TZNFBRWVGWAPRW-WDEREUQCSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000659316056 411393071 /nfs/dbraw/zinc/39/30/71/411393071.db2.gz ZUAXOCNVRLCGQC-WDEREUQCSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000659326884 411394426 /nfs/dbraw/zinc/39/44/26/411394426.db2.gz AMYACMOQBFLSGQ-LLVKDONJSA-N 1 3 239.363 0.775 20 0 BCADHO CC(C)O[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000404653955 411403317 /nfs/dbraw/zinc/40/33/17/411403317.db2.gz SFPXHDXYLYYFPD-LBPRGKRZSA-N 1 3 230.352 0.851 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H](C)[NH3+] ZINC000659388570 411410601 /nfs/dbraw/zinc/41/06/01/411410601.db2.gz KJACGGOAGYZTGP-GWOFURMSSA-N 1 3 245.342 0.504 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388922 411410623 /nfs/dbraw/zinc/41/06/23/411410623.db2.gz NUKKQWIAWPOCRQ-LNFKQOIKSA-N 1 3 243.326 0.272 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000659541090 411431878 /nfs/dbraw/zinc/43/18/78/411431878.db2.gz ZOJLCXDMIQTUSB-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCCNCC1 ZINC000407252773 411476271 /nfs/dbraw/zinc/47/62/71/411476271.db2.gz HVHDLLNKLHAJBS-NWDGAFQWSA-N 1 3 237.347 0.339 20 0 BCADHO CC[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000657370323 411484019 /nfs/dbraw/zinc/48/40/19/411484019.db2.gz BRMATRIORDZGKZ-NWDGAFQWSA-N 1 3 242.363 0.600 20 0 BCADHO c1cncc([C@@H]2CNCCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647952928 411495371 /nfs/dbraw/zinc/49/53/71/411495371.db2.gz FPCPAGLVGRLYSO-OCCSQVGLSA-N 1 3 246.358 0.637 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1NCC1(C)C ZINC000309478802 411497503 /nfs/dbraw/zinc/49/75/03/411497503.db2.gz CWHBQGHFXDODFP-RKDXNWHRSA-N 1 3 213.325 0.099 20 0 BCADHO CO[C@](C)(CO)CNC1CC[NH+](C2CC2)CC1 ZINC000655795551 411516393 /nfs/dbraw/zinc/51/63/93/411516393.db2.gz CQDAFBZZVLARKP-ZDUSSCGKSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H]1C[C@@H](N(C)CCc2cn[nH]n2)CC[N@@H+]1C ZINC000659984667 411520258 /nfs/dbraw/zinc/52/02/58/411520258.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 1 3 237.351 0.762 20 0 BCADHO C[C@H]1C[C@@H](N(C)CCc2cn[nH]n2)CC[N@H+]1C ZINC000659984667 411520260 /nfs/dbraw/zinc/52/02/60/411520260.db2.gz QRSYZCGGVHCSIK-JQWIXIFHSA-N 1 3 237.351 0.762 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C(C)C)C1 ZINC000037484135 170008025 /nfs/dbraw/zinc/00/80/25/170008025.db2.gz AWHNLYIRYMEVNU-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C(C)C)C1 ZINC000037484135 170008026 /nfs/dbraw/zinc/00/80/26/170008026.db2.gz AWHNLYIRYMEVNU-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CCN1C[C@@H](C)[C@@H]([NH2+]CCCN(C)C)C1 ZINC000336768131 170030609 /nfs/dbraw/zinc/03/06/09/170030609.db2.gz TTXPKPMZUVGPAO-NEPJUHHUSA-N 1 3 213.369 0.868 20 0 BCADHO CCN1C[C@H]([NH2+]CCCN(C)C)[C@@H](C)C1 ZINC000336768133 170035142 /nfs/dbraw/zinc/03/51/42/170035142.db2.gz TTXPKPMZUVGPAO-RYUDHWBXSA-N 1 3 213.369 0.868 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000358914780 170138725 /nfs/dbraw/zinc/13/87/25/170138725.db2.gz MLHVHIQTTOFUOU-WDEREUQCSA-N 1 3 229.368 0.687 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000358914778 170157865 /nfs/dbraw/zinc/15/78/65/170157865.db2.gz MLHVHIQTTOFUOU-MNOVXSKESA-N 1 3 229.368 0.687 20 0 BCADHO CN[C@@H](C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946170 411563556 /nfs/dbraw/zinc/56/35/56/411563556.db2.gz XTDSIEYKPXKMNE-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CN[C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946170 411563557 /nfs/dbraw/zinc/56/35/57/411563557.db2.gz XTDSIEYKPXKMNE-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CN(C)C(C)C)C1 ZINC000660532230 411596423 /nfs/dbraw/zinc/59/64/23/411596423.db2.gz DWNMBVKTEGBEPA-UPJWGTAASA-N 1 3 244.379 0.797 20 0 BCADHO CO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CN(C)C(C)C)C1 ZINC000660532230 411596425 /nfs/dbraw/zinc/59/64/25/411596425.db2.gz DWNMBVKTEGBEPA-UPJWGTAASA-N 1 3 244.379 0.797 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CC(C)(C)CO ZINC000660670422 411616589 /nfs/dbraw/zinc/61/65/89/411616589.db2.gz HNSGILDRUSSPRS-GFCCVEGCSA-N 1 3 246.395 0.638 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000660670422 411616590 /nfs/dbraw/zinc/61/65/90/411616590.db2.gz HNSGILDRUSSPRS-GFCCVEGCSA-N 1 3 246.395 0.638 20 0 BCADHO C[C@]1(CN2CC[C@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000663500050 411684462 /nfs/dbraw/zinc/68/44/62/411684462.db2.gz IMZFEFWNHBWVJM-AVGNSLFASA-N 1 3 224.348 0.954 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505488 411688599 /nfs/dbraw/zinc/68/85/99/411688599.db2.gz IWOJWTBCLDWRID-GMTAPVOTSA-N 1 3 217.332 0.731 20 0 BCADHO CC[C@@H](C(=O)NCCCC[NH3+])N(CC)CC ZINC000357794123 170663667 /nfs/dbraw/zinc/66/36/67/170663667.db2.gz NTRSKXLOYASYTI-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO Nc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000647548090 411958561 /nfs/dbraw/zinc/95/85/61/411958561.db2.gz VBEPTOGIIBHLER-LLVKDONJSA-N 1 3 232.331 0.896 20 0 BCADHO COC[C@H](C[N@H+](C1CC1)C1CCNCC1)OC ZINC000662234211 412032281 /nfs/dbraw/zinc/03/22/81/412032281.db2.gz JTXRMPQJSWQKIF-ZDUSSCGKSA-N 1 3 242.363 0.864 20 0 BCADHO COC[C@H](C[N@@H+](C1CC1)C1CCNCC1)OC ZINC000662234211 412032283 /nfs/dbraw/zinc/03/22/83/412032283.db2.gz JTXRMPQJSWQKIF-ZDUSSCGKSA-N 1 3 242.363 0.864 20 0 BCADHO COC[C@H](C[N@@H+]1CCCC[C@H]1[C@H](C)N)OC ZINC000662235797 412034008 /nfs/dbraw/zinc/03/40/08/412034008.db2.gz SVVGTPZYEFBBGG-SRVKXCTJSA-N 1 3 230.352 0.850 20 0 BCADHO COC[C@H](C[N@H+]1CCCC[C@H]1[C@H](C)N)OC ZINC000662235797 412034013 /nfs/dbraw/zinc/03/40/13/412034013.db2.gz SVVGTPZYEFBBGG-SRVKXCTJSA-N 1 3 230.352 0.850 20 0 BCADHO CC1(C)C[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662243971 412038770 /nfs/dbraw/zinc/03/87/70/412038770.db2.gz FFMSABLISIRRPI-NSHDSACASA-N 1 3 239.363 0.191 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662245003 412040775 /nfs/dbraw/zinc/04/07/75/412040775.db2.gz KUDDVUYHBQVMOI-SRVKXCTJSA-N 1 3 227.352 0.034 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662245114 412040914 /nfs/dbraw/zinc/04/09/14/412040914.db2.gz KOEIUCSQBFPCBY-NEPJUHHUSA-N 1 3 239.363 0.191 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662245002 412041017 /nfs/dbraw/zinc/04/10/17/412041017.db2.gz KUDDVUYHBQVMOI-SDDRHHMPSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662245001 412041423 /nfs/dbraw/zinc/04/14/23/412041423.db2.gz KUDDVUYHBQVMOI-QJPTWQEYSA-N 1 3 227.352 0.034 20 0 BCADHO CC(C)[C@](C)(CN)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662247871 412044127 /nfs/dbraw/zinc/04/41/27/412044127.db2.gz NNGIJSGLGCVFLL-NEPJUHHUSA-N 1 3 241.379 0.470 20 0 BCADHO COC[C@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255080 412049304 /nfs/dbraw/zinc/04/93/04/412049304.db2.gz OFXHTDIAXWOQQN-NWDGAFQWSA-N 1 3 240.347 0.476 20 0 BCADHO COC[C@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662255080 412049307 /nfs/dbraw/zinc/04/93/07/412049307.db2.gz OFXHTDIAXWOQQN-NWDGAFQWSA-N 1 3 240.347 0.476 20 0 BCADHO C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662255087 412049805 /nfs/dbraw/zinc/04/98/05/412049805.db2.gz OGBBCQBRIRIMII-MNOVXSKESA-N 1 3 210.321 0.992 20 0 BCADHO C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662255087 412049808 /nfs/dbraw/zinc/04/98/08/412049808.db2.gz OGBBCQBRIRIMII-MNOVXSKESA-N 1 3 210.321 0.992 20 0 BCADHO COC[C@H](CN1C[C@H](C[NH3+])C[C@H]1C)OC ZINC000662265552 412058184 /nfs/dbraw/zinc/05/81/84/412058184.db2.gz QXKRMOIVGLMIMP-VWYCJHECSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@H](CN)C[C@H]1C)OC ZINC000662265552 412058190 /nfs/dbraw/zinc/05/81/90/412058190.db2.gz QXKRMOIVGLMIMP-VWYCJHECSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@H+]1C[C@H](CN)C[C@H]1C)OC ZINC000662265552 412058194 /nfs/dbraw/zinc/05/81/94/412058194.db2.gz QXKRMOIVGLMIMP-VWYCJHECSA-N 1 3 216.325 0.317 20 0 BCADHO CC[C@@H]1CN(CCN2CC[NH2+]CC2)CCS1 ZINC000133029038 171080664 /nfs/dbraw/zinc/08/06/64/171080664.db2.gz HRRZWHHQJCYMPZ-GFCCVEGCSA-N 1 3 243.420 0.719 20 0 BCADHO CC[C@@H]1CN(C[C@@H]2CNCCO2)CC[C@H]1[NH3+] ZINC000662270757 412062470 /nfs/dbraw/zinc/06/24/70/412062470.db2.gz MWJJVOMOZOFUFA-GRYCIOLGSA-N 1 3 227.352 0.034 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000353528470 171146038 /nfs/dbraw/zinc/14/60/38/171146038.db2.gz SWJNJNTVDGUZRU-RHYQMDGZSA-N 1 3 239.363 0.583 20 0 BCADHO CN(CC[C@H]1CCCCO1)C[C@H](O)C[NH3+] ZINC000662276552 412068729 /nfs/dbraw/zinc/06/87/29/412068729.db2.gz KJMMHEYNGOIEGI-GHMZBOCLSA-N 1 3 216.325 0.197 20 0 BCADHO C[N@H+](CC[C@H]1CCCCO1)C[C@H](O)CN ZINC000662276552 412068733 /nfs/dbraw/zinc/06/87/33/412068733.db2.gz KJMMHEYNGOIEGI-GHMZBOCLSA-N 1 3 216.325 0.197 20 0 BCADHO C[N@@H+](CC[C@H]1CCCCO1)C[C@H](O)CN ZINC000662276552 412068735 /nfs/dbraw/zinc/06/87/35/412068735.db2.gz KJMMHEYNGOIEGI-GHMZBOCLSA-N 1 3 216.325 0.197 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCCC1 ZINC000353463682 171148809 /nfs/dbraw/zinc/14/88/09/171148809.db2.gz WIJGZIMQAHBHHQ-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](O)C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285168 412077077 /nfs/dbraw/zinc/07/70/77/412077077.db2.gz YMWBPXUKUIJUJC-PWSUYJOCSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@@H](O)C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285168 412077079 /nfs/dbraw/zinc/07/70/79/412077079.db2.gz YMWBPXUKUIJUJC-PWSUYJOCSA-N 1 3 240.347 0.353 20 0 BCADHO CC[C@@]1(C(=O)NCCN(C)C2CC2)CC[NH2+]C1 ZINC000062910531 171196291 /nfs/dbraw/zinc/19/62/91/171196291.db2.gz TYCLTIIXCJJULK-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](C(=O)NCCCC[NH3+])N(CC)CC ZINC000357794119 171228154 /nfs/dbraw/zinc/22/81/54/171228154.db2.gz NTRSKXLOYASYTI-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CC[C@H](C(=O)NCCC[NH+](C)C)N(C)C ZINC000359252735 171228586 /nfs/dbraw/zinc/22/85/86/171228586.db2.gz QULTVJCYTMHKBU-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO COC[C@H](CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)OC ZINC000662283076 412075609 /nfs/dbraw/zinc/07/56/09/412075609.db2.gz KJJLTYBDXCKJIM-CYDGBPFRSA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C)OC ZINC000662283076 412075615 /nfs/dbraw/zinc/07/56/15/412075615.db2.gz KJJLTYBDXCKJIM-CYDGBPFRSA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C)OC ZINC000662283076 412075616 /nfs/dbraw/zinc/07/56/16/412075616.db2.gz KJJLTYBDXCKJIM-CYDGBPFRSA-N 1 3 244.379 0.953 20 0 BCADHO C(CN1CCC[C@@H]2OCC[C@@H]21)N1CC[NH2+]CC1 ZINC000662298615 412085794 /nfs/dbraw/zinc/08/57/94/412085794.db2.gz PTGYCODRXOBKLS-STQMWFEESA-N 1 3 239.363 0.145 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188754097 171305910 /nfs/dbraw/zinc/30/59/10/171305910.db2.gz GZUBLECFILPVRT-GARJFASQSA-N 1 3 245.342 0.533 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188754097 171305912 /nfs/dbraw/zinc/30/59/12/171305912.db2.gz GZUBLECFILPVRT-GARJFASQSA-N 1 3 245.342 0.533 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C1(N)CC1 ZINC000226396246 171306931 /nfs/dbraw/zinc/30/69/31/171306931.db2.gz GMLZXMGMJFTHHM-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C1(N)CC1 ZINC000226396246 171306928 /nfs/dbraw/zinc/30/69/28/171306928.db2.gz GMLZXMGMJFTHHM-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694829 171370111 /nfs/dbraw/zinc/37/01/11/171370111.db2.gz GEVYUZODZZZQRQ-IDWGSYCQSA-N 1 3 227.352 0.746 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365227469 171394204 /nfs/dbraw/zinc/39/42/04/171394204.db2.gz RTSHAIMCLOICPU-QCNOEVLYSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000237036718 171394974 /nfs/dbraw/zinc/39/49/74/171394974.db2.gz FMZPHROJMMDADC-DLOVCJGASA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309798642 171395117 /nfs/dbraw/zinc/39/51/17/171395117.db2.gz QTBBJVDEXQJTRT-AEJSXWLSSA-N 1 3 215.341 0.459 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH2+]C ZINC000308979023 171395584 /nfs/dbraw/zinc/39/55/84/171395584.db2.gz HLHFHEWQAKHUHE-YIZRAAEISA-N 1 3 201.314 0.084 20 0 BCADHO NC1(C(=O)N2CCC([NH3+])CC2)CC2(CCC2)C1 ZINC000662388879 412139607 /nfs/dbraw/zinc/13/96/07/412139607.db2.gz SVDMBYDNONBTCT-UHFFFAOYSA-N 1 3 237.347 0.598 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C[NH2+]C(C)C ZINC000662454553 412181269 /nfs/dbraw/zinc/18/12/69/412181269.db2.gz NVSLEFPSHFBQIU-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000370768068 171477216 /nfs/dbraw/zinc/47/72/16/171477216.db2.gz XSYMVEFIXRWUAJ-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H](CC)[NH2+]C ZINC000662462838 412182851 /nfs/dbraw/zinc/18/28/51/412182851.db2.gz OQNYNANNSDETFF-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000665243408 412186621 /nfs/dbraw/zinc/18/66/21/412186621.db2.gz DABCFPYVAVJJSH-JBLDHEPKSA-N 1 3 209.337 0.421 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000662476187 412187476 /nfs/dbraw/zinc/18/74/76/412187476.db2.gz RILFEGRFEDBECX-MXWKQRLJSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000662472192 412187669 /nfs/dbraw/zinc/18/76/69/412187669.db2.gz PNYAEUDQBFCNNH-WOPDTQHZSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000662476186 412187792 /nfs/dbraw/zinc/18/77/92/412187792.db2.gz RILFEGRFEDBECX-DCAQKATOSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000662472191 412188062 /nfs/dbraw/zinc/18/80/62/412188062.db2.gz PNYAEUDQBFCNNH-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000662474331 412188405 /nfs/dbraw/zinc/18/84/05/412188405.db2.gz ZAILDWFIQHJNQY-VWYCJHECSA-N 1 3 227.352 0.535 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000665244610 412189220 /nfs/dbraw/zinc/18/92/20/412189220.db2.gz RWNLYSSEJXSWQK-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@@H](C)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000665244610 412189224 /nfs/dbraw/zinc/18/92/24/412189224.db2.gz RWNLYSSEJXSWQK-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665245333 412189281 /nfs/dbraw/zinc/18/92/81/412189281.db2.gz FSXANZXUBQVJPR-LMLFDSFASA-N 1 3 216.325 0.363 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000662486913 412191136 /nfs/dbraw/zinc/19/11/36/412191136.db2.gz YEJUGKXCNLILLO-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000662514206 412201957 /nfs/dbraw/zinc/20/19/57/412201957.db2.gz LJXDCVRYHFEJIE-GUBZILKMSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662519623 412202840 /nfs/dbraw/zinc/20/28/40/412202840.db2.gz SWMZYVMUIGPZAD-GHMZBOCLSA-N 1 3 225.336 0.195 20 0 BCADHO CCCN1CC[C@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000665274092 412215953 /nfs/dbraw/zinc/21/59/53/412215953.db2.gz JLPWNPAWDHDUST-JQWIXIFHSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000662540391 412209867 /nfs/dbraw/zinc/20/98/67/412209867.db2.gz WBFCWKRCTLOPQU-GHMZBOCLSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662550668 412212146 /nfs/dbraw/zinc/21/21/46/412212146.db2.gz FHLFQUJLUCHNTB-SECBINFHSA-N 1 3 233.315 0.757 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)CNC(C)C)C1 ZINC000662392134 412143756 /nfs/dbraw/zinc/14/37/56/412143756.db2.gz OLLZLPDVCUOHIU-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]C1)c1cccc2c1CNC2 ZINC000662395856 412145728 /nfs/dbraw/zinc/14/57/28/412145728.db2.gz QIEKHOQEGJOHGB-NSHDSACASA-N 1 3 245.326 0.772 20 0 BCADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCCNCC1 ZINC000662396329 412145841 /nfs/dbraw/zinc/14/58/41/412145841.db2.gz USAYEYRLPJYHRX-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)NCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000662411948 412155833 /nfs/dbraw/zinc/15/58/33/412155833.db2.gz BZWSVWYRDNDLOD-SNVBAGLBSA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)NCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000662411947 412155874 /nfs/dbraw/zinc/15/58/74/412155874.db2.gz BZWSVWYRDNDLOD-JTQLQIEISA-N 1 3 213.325 0.100 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000662415626 412156977 /nfs/dbraw/zinc/15/69/77/412156977.db2.gz IJIQFDKEDFJMCH-GUBZILKMSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000662414218 412157553 /nfs/dbraw/zinc/15/75/53/412157553.db2.gz WRTFZVFPBNBYGI-NEPJUHHUSA-N 1 3 235.331 0.801 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000662421531 412161912 /nfs/dbraw/zinc/16/19/12/412161912.db2.gz FGTMOLGAUNKKHC-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCNCC1(C)C ZINC000662424283 412163692 /nfs/dbraw/zinc/16/36/92/412163692.db2.gz POTVHGGAMBSXEJ-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO COC[C@H](CCN[C@H]1C[NH2+]CC[C@@H]1C)OC ZINC000665235318 412166512 /nfs/dbraw/zinc/16/65/12/412166512.db2.gz UEGXJWWYCAAKHZ-SRVKXCTJSA-N 1 3 230.352 0.626 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000665272575 412214261 /nfs/dbraw/zinc/21/42/61/412214261.db2.gz HSHRPIRMVKWEPU-DCAQKATOSA-N 1 3 225.336 0.243 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000662649442 412255453 /nfs/dbraw/zinc/25/54/53/412255453.db2.gz PPGRLMQVSLUALQ-UHFFFAOYSA-N 1 3 211.309 0.256 20 0 BCADHO CC1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662679564 412268355 /nfs/dbraw/zinc/26/83/55/412268355.db2.gz ADMJVZLVKWDDEM-HAQNSBGRSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](NC)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000662688303 412272116 /nfs/dbraw/zinc/27/21/16/412272116.db2.gz OAGYRNSJVNFPFO-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](NC)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000662688303 412272118 /nfs/dbraw/zinc/27/21/18/412272118.db2.gz OAGYRNSJVNFPFO-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CNC(=O)C1(NC2CC2)CCC1)[NH+](C)C ZINC000662691325 412273159 /nfs/dbraw/zinc/27/31/59/412273159.db2.gz GMLDIWNOGSXEIB-SNVBAGLBSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCN(CCC)C1 ZINC000662702632 412275482 /nfs/dbraw/zinc/27/54/82/412275482.db2.gz AQJFQWVIHLSBHU-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662704026 412276483 /nfs/dbraw/zinc/27/64/83/412276483.db2.gz RYARRDAZJMHPPR-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H](CC)[NH2+]C)C1 ZINC000662704214 412276986 /nfs/dbraw/zinc/27/69/86/412276986.db2.gz WRMDXHLUVHFRIH-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000662719955 412283543 /nfs/dbraw/zinc/28/35/43/412283543.db2.gz MWCHFRIWIQBTCT-NHCYSSNCSA-N 1 3 237.347 0.419 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723730 412284015 /nfs/dbraw/zinc/28/40/15/412284015.db2.gz IWSXZZYGZSTWTH-HUXNSBQSSA-N 1 3 225.336 0.228 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730053 412285628 /nfs/dbraw/zinc/28/56/28/412285628.db2.gz ZRESGGCKQXPLAM-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1NCC1(C)C ZINC000662731109 412286968 /nfs/dbraw/zinc/28/69/68/412286968.db2.gz YNSJQZBVEHBFGM-NXEZZACHSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)NCC(=O)N1CCC(C)([NH3+])CC1 ZINC000662556696 412216534 /nfs/dbraw/zinc/21/65/34/412216534.db2.gz WANGKLVEDJTWKB-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000662557890 412216539 /nfs/dbraw/zinc/21/65/39/412216539.db2.gz PHBGWOBKLALAOM-ZJUUUORDSA-N 1 3 213.325 0.099 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662558468 412217995 /nfs/dbraw/zinc/21/79/95/412217995.db2.gz FZDJQBIMSUPGLP-BXKDBHETSA-N 1 3 233.315 0.684 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000662560571 412219311 /nfs/dbraw/zinc/21/93/11/412219311.db2.gz JINCFAVBVSUAQD-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277950 412220322 /nfs/dbraw/zinc/22/03/22/412220322.db2.gz QGXBRQKYLRCHPI-MLWDRFBSSA-N 1 3 235.375 0.811 20 0 BCADHO CC(C)NCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000662567346 412222898 /nfs/dbraw/zinc/22/28/98/412222898.db2.gz UWSQIKPMUSLAGP-ZETCQYMHSA-N 1 3 223.267 0.083 20 0 BCADHO CN(CC[NH3+])C(=O)c1cccc2c1CNC2 ZINC000662573482 412225046 /nfs/dbraw/zinc/22/50/46/412225046.db2.gz FTBNHUCVCSROPI-UHFFFAOYSA-N 1 3 219.288 0.321 20 0 BCADHO CN(CC[NH3+])C(=O)C[C@H]1NCc2ccccc21 ZINC000662574613 412225818 /nfs/dbraw/zinc/22/58/18/412225818.db2.gz LHHBLFRVBGCVBE-GFCCVEGCSA-N 1 3 233.315 0.638 20 0 BCADHO CC(C)NCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000662579269 412227805 /nfs/dbraw/zinc/22/78/05/412227805.db2.gz PDZAKIXVENTZCH-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CNCC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592125 412233743 /nfs/dbraw/zinc/23/37/43/412233743.db2.gz WRNBVMYULJLKOG-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662621848 412244551 /nfs/dbraw/zinc/24/45/51/412244551.db2.gz XMIUPZRYNLVASF-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622314 412244774 /nfs/dbraw/zinc/24/47/74/412244774.db2.gz QKPUPFQIKBHSKI-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622314 412244776 /nfs/dbraw/zinc/24/47/76/412244776.db2.gz QKPUPFQIKBHSKI-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662619705 412244788 /nfs/dbraw/zinc/24/47/88/412244788.db2.gz NTZPUKMUPLZWRQ-GARJFASQSA-N 1 3 241.379 0.959 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662621817 412245090 /nfs/dbraw/zinc/24/50/90/412245090.db2.gz LVLJUBNWAHXFCN-GHMZBOCLSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000665296668 412245214 /nfs/dbraw/zinc/24/52/14/412245214.db2.gz WCJGXVKCNCGIJQ-HBNTYKKESA-N 1 3 211.353 0.809 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOCCF ZINC000665299600 412247420 /nfs/dbraw/zinc/24/74/20/412247420.db2.gz PZJKJMAWXNLGGT-GHMZBOCLSA-N 1 3 218.316 0.950 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOCCF ZINC000665299602 412247545 /nfs/dbraw/zinc/24/75/45/412247545.db2.gz PZJKJMAWXNLGGT-QWRGUYRKSA-N 1 3 218.316 0.950 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@H]2C1 ZINC000662806619 412307367 /nfs/dbraw/zinc/30/73/67/412307367.db2.gz SJMYKKQYBBYCML-BJDJZHNGSA-N 1 3 237.347 0.276 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662811708 412307430 /nfs/dbraw/zinc/30/74/30/412307430.db2.gz ATJJFZPWVJNSFM-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000662825064 412313002 /nfs/dbraw/zinc/31/30/02/412313002.db2.gz YKKUMTWSARVIDV-VHSXEESVSA-N 1 3 239.363 0.890 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662857443 412326908 /nfs/dbraw/zinc/32/69/08/412326908.db2.gz AWLRUFBIOJGVHU-MXWKQRLJSA-N 1 3 229.368 0.816 20 0 BCADHO [NH3+]C1(CNC(=O)[C@H]2CCCCN2)CCCC1 ZINC000662864958 412329702 /nfs/dbraw/zinc/32/97/02/412329702.db2.gz IYXKUWRNNWOJKC-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1(N)CC1 ZINC000662886121 412336043 /nfs/dbraw/zinc/33/60/43/412336043.db2.gz BHAUCKUNXADKPC-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132889045 412343657 /nfs/dbraw/zinc/34/36/57/412343657.db2.gz LFCLZMVLVCROBQ-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132889045 412343659 /nfs/dbraw/zinc/34/36/59/412343659.db2.gz LFCLZMVLVCROBQ-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO NC1(C(=O)NCC23CC(C2)C[NH2+]3)CC2(CCC2)C1 ZINC000662922438 412345868 /nfs/dbraw/zinc/34/58/68/412345868.db2.gz AIUQAIKSIICGMN-UHFFFAOYSA-N 1 3 249.358 0.516 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000662925890 412347251 /nfs/dbraw/zinc/34/72/51/412347251.db2.gz DPLPCQTXZFKICM-UTUOFQBUSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924022 412347291 /nfs/dbraw/zinc/34/72/91/412347291.db2.gz WVQPVSYFSSBWKB-URAGZPLESA-N 1 3 237.347 0.243 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000662944909 412350998 /nfs/dbraw/zinc/35/09/98/412350998.db2.gz ANPWGIZWFRQBHN-ZDCRXTMVSA-N 1 3 243.326 0.272 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@@H+]1C ZINC000662945348 412351620 /nfs/dbraw/zinc/35/16/20/412351620.db2.gz OAIMVZUWBCGGDG-GWOFURMSSA-N 1 3 243.326 0.224 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[N@H+]1C ZINC000662945348 412351623 /nfs/dbraw/zinc/35/16/23/412351623.db2.gz OAIMVZUWBCGGDG-GWOFURMSSA-N 1 3 243.326 0.224 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CC[C@H]1F ZINC000662943912 412351756 /nfs/dbraw/zinc/35/17/56/412351756.db2.gz DRXKLXLSENIFIW-OPRDCNLKSA-N 1 3 229.299 0.026 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C ZINC000662966390 412358524 /nfs/dbraw/zinc/35/85/24/412358524.db2.gz RBBACCSFIYRPHI-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662966391 412358940 /nfs/dbraw/zinc/35/89/40/412358940.db2.gz RBBACCSFIYRPHI-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1C ZINC000132921363 412358959 /nfs/dbraw/zinc/35/89/59/412358959.db2.gz RZJIMMLDNPRCAC-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CC[C@H](C)C1 ZINC000662746807 412289822 /nfs/dbraw/zinc/28/98/22/412289822.db2.gz RSCMTRZIJKAIEY-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747321 412290350 /nfs/dbraw/zinc/29/03/50/412290350.db2.gz SLFISHXLNKSOGL-KYXWUPHJSA-N 1 3 231.315 0.258 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CN1C1CC1 ZINC000662755366 412291205 /nfs/dbraw/zinc/29/12/05/412291205.db2.gz YTIWZZIZBNEBRP-UWVGGRQHSA-N 1 3 237.347 0.609 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000662754483 412291734 /nfs/dbraw/zinc/29/17/34/412291734.db2.gz PCYMLEPBLIOMRM-DBIOUOCHSA-N 1 3 237.347 0.465 20 0 BCADHO N[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)CC[C@H]1F ZINC000662748409 412291863 /nfs/dbraw/zinc/29/18/63/412291863.db2.gz SNWQRLTTYHAHCU-GHMZBOCLSA-N 1 3 243.326 0.274 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754335 412291908 /nfs/dbraw/zinc/29/19/08/412291908.db2.gz LASWGRCEEFISKT-BFLSOPEQSA-N 1 3 237.347 0.323 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)C1CCN(C)CC1 ZINC000662767867 412295733 /nfs/dbraw/zinc/29/57/33/412295733.db2.gz YACUEPFWGKEOGI-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000662767674 412296279 /nfs/dbraw/zinc/29/62/79/412296279.db2.gz XYKQQHZARHBMLH-MRVPVSSYSA-N 1 3 211.309 0.111 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000662782357 412299975 /nfs/dbraw/zinc/29/99/75/412299975.db2.gz ZAFKEQUJNHZOAV-QCLAVDOMSA-N 1 3 213.325 0.097 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000662782600 412301038 /nfs/dbraw/zinc/30/10/38/412301038.db2.gz FBVQFLNCMGDNOG-JTQLQIEISA-N 1 3 239.363 0.892 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NCCNc1cnccn1 ZINC000422892007 412301241 /nfs/dbraw/zinc/30/12/41/412301241.db2.gz XITKYZHJTRQMKC-GHMZBOCLSA-N 1 3 235.335 0.606 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000422892007 412301243 /nfs/dbraw/zinc/30/12/43/412301243.db2.gz XITKYZHJTRQMKC-GHMZBOCLSA-N 1 3 235.335 0.606 20 0 BCADHO [NH3+]C1(CC(=O)N2CCN3CCC2CC3)CC1 ZINC000662791296 412304218 /nfs/dbraw/zinc/30/42/18/412304218.db2.gz JATMHGBRVPMSKY-UHFFFAOYSA-N 1 3 223.320 0.174 20 0 BCADHO C[C@@]1(NC(=O)C[C@H](N)c2ccccc2)CC[NH2+]C1 ZINC000663012760 412371299 /nfs/dbraw/zinc/37/12/99/412371299.db2.gz YUPQWAKAXXWGFG-GXTWGEPZSA-N 1 3 247.342 0.945 20 0 BCADHO CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334982171 172366222 /nfs/dbraw/zinc/36/62/22/172366222.db2.gz YVQHNBHDASUHBK-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000040807314 172395977 /nfs/dbraw/zinc/39/59/77/172395977.db2.gz PAGDUALXMWIWFL-SECBINFHSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229962602 487625064 /nfs/dbraw/zinc/62/50/64/487625064.db2.gz OBQULLOPKWXDSV-FGNRJIRKSA-N 1 3 212.337 0.972 20 0 BCADHO CC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229962602 487625066 /nfs/dbraw/zinc/62/50/66/487625066.db2.gz OBQULLOPKWXDSV-FGNRJIRKSA-N 1 3 212.337 0.972 20 0 BCADHO CN1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062890451 172994172 /nfs/dbraw/zinc/99/41/72/172994172.db2.gz USKOCVAXORMLBP-GFCCVEGCSA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333755445 173030141 /nfs/dbraw/zinc/03/01/41/173030141.db2.gz AQDFJSTWGBRMMW-MNOVXSKESA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H](C[N@H+](C)C[C@H]2COCCO2)C1 ZINC000336676054 173041588 /nfs/dbraw/zinc/04/15/88/173041588.db2.gz ALPNGXUVNOPNEL-STQMWFEESA-N 1 3 242.363 0.675 20 0 BCADHO CN1CCC[C@H](C[N@@H+](C)C[C@H]2COCCO2)C1 ZINC000336676054 173041590 /nfs/dbraw/zinc/04/15/90/173041590.db2.gz ALPNGXUVNOPNEL-STQMWFEESA-N 1 3 242.363 0.675 20 0 BCADHO CN1CCC[C@H]1CC[N@H+](CCO)CCCO ZINC000305713810 173050324 /nfs/dbraw/zinc/05/03/24/173050324.db2.gz GIMGEIJGKFISJE-LBPRGKRZSA-N 1 3 230.352 0.147 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+](CCO)CCCO ZINC000305713810 173050327 /nfs/dbraw/zinc/05/03/27/173050327.db2.gz GIMGEIJGKFISJE-LBPRGKRZSA-N 1 3 230.352 0.147 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](O)C1 ZINC000305660809 173051015 /nfs/dbraw/zinc/05/10/15/173051015.db2.gz OFTHRMWRZMBWKG-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](O)C1 ZINC000305660809 173051018 /nfs/dbraw/zinc/05/10/18/173051018.db2.gz OFTHRMWRZMBWKG-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)C2(N)CCCCC2)C1 ZINC000037647105 173114820 /nfs/dbraw/zinc/11/48/20/173114820.db2.gz ICLFUDYCUXWCEB-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)C2(N)CCCCC2)C1 ZINC000037647105 173114821 /nfs/dbraw/zinc/11/48/21/173114821.db2.gz ICLFUDYCUXWCEB-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037484874 173145250 /nfs/dbraw/zinc/14/52/50/173145250.db2.gz HAWPYXPQEOBVTQ-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037484874 173145251 /nfs/dbraw/zinc/14/52/51/173145251.db2.gz HAWPYXPQEOBVTQ-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CNC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375760845 173247012 /nfs/dbraw/zinc/24/70/12/173247012.db2.gz UILAMQZEWWXTBQ-FOSCPWQOSA-N 1 3 239.363 0.680 20 0 BCADHO CNC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375760845 173247015 /nfs/dbraw/zinc/24/70/15/173247015.db2.gz UILAMQZEWWXTBQ-FOSCPWQOSA-N 1 3 239.363 0.680 20 0 BCADHO CNC(=O)C[C@@H](C)NCC[NH+]1CCCCCC1 ZINC000356543878 173280553 /nfs/dbraw/zinc/28/05/53/173280553.db2.gz CSFFMBMMOFSOTR-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000338160515 173280579 /nfs/dbraw/zinc/28/05/79/173280579.db2.gz SXLGVGHAWPQIKS-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN1CCCC1 ZINC000338160515 173280580 /nfs/dbraw/zinc/28/05/80/173280580.db2.gz SXLGVGHAWPQIKS-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000308845649 173281108 /nfs/dbraw/zinc/28/11/08/173281108.db2.gz AAPGHDNRUNMAEQ-NXEZZACHSA-N 1 3 215.341 0.441 20 0 BCADHO CNC(=O)C[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000322991540 173281946 /nfs/dbraw/zinc/28/19/46/173281946.db2.gz CTBRJYNNKDRHNM-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000323043251 173283356 /nfs/dbraw/zinc/28/33/56/173283356.db2.gz OWTHEYWZHQTWOQ-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000323043251 173283357 /nfs/dbraw/zinc/28/33/57/173283357.db2.gz OWTHEYWZHQTWOQ-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438248 173306601 /nfs/dbraw/zinc/30/66/01/173306601.db2.gz JECWZALUGMHDSD-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226438248 173306602 /nfs/dbraw/zinc/30/66/02/173306602.db2.gz JECWZALUGMHDSD-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226438248 173306603 /nfs/dbraw/zinc/30/66/03/173306603.db2.gz JECWZALUGMHDSD-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919241 173307082 /nfs/dbraw/zinc/30/70/82/173307082.db2.gz RIORFFPCVVBEKT-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000037804623 173324414 /nfs/dbraw/zinc/32/44/14/173324414.db2.gz QVFNHVRGZWYKSN-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CNCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262421077 173325344 /nfs/dbraw/zinc/32/53/44/173325344.db2.gz VALPHEQVXWKZEW-UHFFFAOYSA-N 1 3 235.331 0.583 20 0 BCADHO CNCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366450133 173325969 /nfs/dbraw/zinc/32/59/69/173325969.db2.gz OUMBQQQFGDTPPY-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824267 173326018 /nfs/dbraw/zinc/32/60/18/173326018.db2.gz FVXHOVTWGRWNJE-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO CNCC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000373003274 173326407 /nfs/dbraw/zinc/32/64/07/173326407.db2.gz UNZGFWIDDKXZFV-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CNCC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000373837650 173326524 /nfs/dbraw/zinc/32/65/24/173326524.db2.gz STBZQEAEGRXLEC-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CNCC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000373837650 173326525 /nfs/dbraw/zinc/32/65/25/173326525.db2.gz STBZQEAEGRXLEC-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CNCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366450136 173326650 /nfs/dbraw/zinc/32/66/50/173326650.db2.gz OUMBQQQFGDTPPY-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372426221 173327056 /nfs/dbraw/zinc/32/70/56/173327056.db2.gz LQYKSOJIRKPWMV-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CNCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040420156 173328646 /nfs/dbraw/zinc/32/86/46/173328646.db2.gz IETFXCZPXSGBPK-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000037901339 173329058 /nfs/dbraw/zinc/32/90/58/173329058.db2.gz KWBIKTSRARHMSI-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CNCC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000037901339 173329060 /nfs/dbraw/zinc/32/90/60/173329060.db2.gz KWBIKTSRARHMSI-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CC(=O)NCCN1CCC(C)CC1 ZINC000040772622 173329349 /nfs/dbraw/zinc/32/93/49/173329349.db2.gz OJZMAZIKUWTAID-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO CNCC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000237215829 173329471 /nfs/dbraw/zinc/32/94/71/173329471.db2.gz LSFHWXWZQZXZCD-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000237215829 173329472 /nfs/dbraw/zinc/32/94/72/173329472.db2.gz LSFHWXWZQZXZCD-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000193142721 173329905 /nfs/dbraw/zinc/32/99/05/173329905.db2.gz QEKIXOVZEZACBN-LBPRGKRZSA-N 1 3 249.358 0.843 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000237231624 173330404 /nfs/dbraw/zinc/33/04/04/173330404.db2.gz NOMPJKNRIJHKRB-CYBMUJFWSA-N 1 3 249.358 0.933 20 0 BCADHO CNCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000237236346 173330709 /nfs/dbraw/zinc/33/07/09/173330709.db2.gz IGNMIKHDMOCLAC-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237266642 173331234 /nfs/dbraw/zinc/33/12/34/173331234.db2.gz NDTTWRBMHJMKMR-GRYCIOLGSA-N 1 3 241.379 0.688 20 0 BCADHO CNCC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237266642 173331235 /nfs/dbraw/zinc/33/12/35/173331235.db2.gz NDTTWRBMHJMKMR-GRYCIOLGSA-N 1 3 241.379 0.688 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCC(C)CC1 ZINC000043605816 173340294 /nfs/dbraw/zinc/34/02/94/173340294.db2.gz GTCXEMRWHZNQTP-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H](C)CN1CCCCC1 ZINC000043600180 173340711 /nfs/dbraw/zinc/34/07/11/173340711.db2.gz PGOXGEVPHRHANR-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357236254 173341186 /nfs/dbraw/zinc/34/11/86/173341186.db2.gz CLQZAKGSMHKXOP-NXEZZACHSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000357240791 173341296 /nfs/dbraw/zinc/34/12/96/173341296.db2.gz KGAGLZQTBHDASP-KOLCDFICSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCCCC1 ZINC000049575508 173343703 /nfs/dbraw/zinc/34/37/03/173343703.db2.gz RXAVXKDDDOLKAL-UHFFFAOYSA-N 1 3 227.352 0.588 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000226398485 173344270 /nfs/dbraw/zinc/34/42/70/173344270.db2.gz NEMIGWVYPNVOLD-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[NH2+]CCCNC(=O)C1(N)Cc2ccccc2C1 ZINC000121107797 173347039 /nfs/dbraw/zinc/34/70/39/173347039.db2.gz ZKHSRZLZTFTLDK-UHFFFAOYSA-N 1 3 247.342 0.208 20 0 BCADHO C[NH2+]CCCN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438679 173347371 /nfs/dbraw/zinc/34/73/71/173347371.db2.gz XQRVOPHSFSWGFJ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438679 173347373 /nfs/dbraw/zinc/34/73/73/173347373.db2.gz XQRVOPHSFSWGFJ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000042438679 173347375 /nfs/dbraw/zinc/34/73/75/173347375.db2.gz XQRVOPHSFSWGFJ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]CCCN1CCCC[C@H]1CC(N)=O ZINC000309630735 173347475 /nfs/dbraw/zinc/34/74/75/173347475.db2.gz KHGOXBUTAAELQS-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000309630735 173347476 /nfs/dbraw/zinc/34/74/76/173347476.db2.gz KHGOXBUTAAELQS-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CNCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000309630735 173347477 /nfs/dbraw/zinc/34/74/77/173347477.db2.gz KHGOXBUTAAELQS-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[NH2+]CCCNC(=O)C[C@H](N)c1ccccc1 ZINC000083362624 173347992 /nfs/dbraw/zinc/34/79/92/173347992.db2.gz WDSQFFZWBWVAJP-LBPRGKRZSA-N 1 3 235.331 0.802 20 0 BCADHO C[NH2+]CCN(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000070304844 173351257 /nfs/dbraw/zinc/35/12/57/173351257.db2.gz JMFOZUXGKODSCG-GFCCVEGCSA-N 1 3 235.331 0.754 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000237075140 173355419 /nfs/dbraw/zinc/35/54/19/173355419.db2.gz JTFUEIARPKWILN-PWSUYJOCSA-N 1 3 235.331 0.658 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000237323919 173373876 /nfs/dbraw/zinc/37/38/76/173373876.db2.gz GKWKVGRAWZEHSH-CMPLNLGQSA-N 1 3 235.331 0.658 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000226399318 173374195 /nfs/dbraw/zinc/37/41/95/173374195.db2.gz OXJOGNMJFLIZEY-UWVGGRQHSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000261551636 173374352 /nfs/dbraw/zinc/37/43/52/173374352.db2.gz QQEITJAYVCHWQL-IVZWLZJFSA-N 1 3 213.325 0.051 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC000237225133 173380002 /nfs/dbraw/zinc/38/00/02/173380002.db2.gz SAEVTOMLIWUTPL-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO COCCN(C)C/C=C\C[N@H+](C)CCOC ZINC000339930941 174275631 /nfs/dbraw/zinc/27/56/31/174275631.db2.gz CMUHZLBZPAJTDB-WAYWQWQTSA-N 1 3 230.352 0.699 20 0 BCADHO COCCN(C)C/C=C\C[N@@H+](C)CCOC ZINC000339930941 174275633 /nfs/dbraw/zinc/27/56/33/174275633.db2.gz CMUHZLBZPAJTDB-WAYWQWQTSA-N 1 3 230.352 0.699 20 0 BCADHO COCCNCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000237222671 174331485 /nfs/dbraw/zinc/33/14/85/174331485.db2.gz VINOTVKJMCVKSS-GFCCVEGCSA-N 1 3 245.367 0.102 20 0 BCADHO COCCOCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125383604 174355090 /nfs/dbraw/zinc/35/50/90/174355090.db2.gz DFDJBXITIMRTCS-XQQFMLRXSA-N 1 3 242.363 0.709 20 0 BCADHO COCCOCCN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000044694157 174358252 /nfs/dbraw/zinc/35/82/52/174358252.db2.gz DPXLNJSONYAWPQ-FRRDWIJNSA-N 1 3 244.379 0.968 20 0 BCADHO COCCOCCN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000044694157 174358255 /nfs/dbraw/zinc/35/82/55/174358255.db2.gz DPXLNJSONYAWPQ-FRRDWIJNSA-N 1 3 244.379 0.968 20 0 BCADHO COCC[C@@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000302682272 174379040 /nfs/dbraw/zinc/37/90/40/174379040.db2.gz QKDCDAFCQIHTHV-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@H]1CCOC[C@H]1C ZINC000383496480 487631457 /nfs/dbraw/zinc/63/14/57/487631457.db2.gz DGCZBFUVMBIEGR-AGIUHOORSA-N 1 3 244.379 0.702 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@H]1CCOC[C@H]1C ZINC000383496480 487631465 /nfs/dbraw/zinc/63/14/65/487631465.db2.gz DGCZBFUVMBIEGR-AGIUHOORSA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768232 175795947 /nfs/dbraw/zinc/79/59/47/175795947.db2.gz SDTDAIAUTJLYOM-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000237540281 176097301 /nfs/dbraw/zinc/09/73/01/176097301.db2.gz DTVKHXLHZDETBL-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670566 176133537 /nfs/dbraw/zinc/13/35/37/176133537.db2.gz UFAYGOWCKXXSTQ-NQBHXWOUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CCc2n[nH]cc2C1 ZINC000332634742 176185375 /nfs/dbraw/zinc/18/53/75/176185375.db2.gz ZZPVZSQWFMLWNN-XWIASGKRSA-N 1 3 234.347 0.855 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCc2n[nH]cc2C1 ZINC000332634738 176185951 /nfs/dbraw/zinc/18/59/51/176185951.db2.gz ZZPVZSQWFMLWNN-IRUJWGPZSA-N 1 3 234.347 0.855 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH2+]CC1 ZINC000336516377 176198789 /nfs/dbraw/zinc/19/87/89/176198789.db2.gz AHMXZACPQVXXJB-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)[C@H](C)CN1 ZINC000083354156 176243549 /nfs/dbraw/zinc/24/35/49/176243549.db2.gz TWCLZGCIMOJPOS-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)NCCN(C)C2CC2)C[C@H]1[NH3+] ZINC000331438170 176250932 /nfs/dbraw/zinc/25/09/32/176250932.db2.gz GXIUZIMBLAXANQ-MWLCHTKSSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCC1 ZINC000309162403 176268604 /nfs/dbraw/zinc/26/86/04/176268604.db2.gz ZOOGRNHAXVAKBR-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCC1 ZINC000309162403 176268605 /nfs/dbraw/zinc/26/86/05/176268605.db2.gz ZOOGRNHAXVAKBR-NEPJUHHUSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000362763383 176276348 /nfs/dbraw/zinc/27/63/48/176276348.db2.gz RLIKKLGFQAFBPZ-IJLUTSLNSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000362763383 176276349 /nfs/dbraw/zinc/27/63/49/176276349.db2.gz RLIKKLGFQAFBPZ-IJLUTSLNSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000361232273 176279353 /nfs/dbraw/zinc/27/93/53/176279353.db2.gz XXNMEYNELWPRSA-LPWJVIDDSA-N 1 3 243.395 0.227 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCC(=O)NC1 ZINC000104341989 176280734 /nfs/dbraw/zinc/28/07/34/176280734.db2.gz NCIBPKFXBZASDC-DDHJBXDOSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCC(=O)NC1 ZINC000104341989 176280736 /nfs/dbraw/zinc/28/07/36/176280736.db2.gz NCIBPKFXBZASDC-DDHJBXDOSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1C ZINC000132954718 176373737 /nfs/dbraw/zinc/37/37/37/176373737.db2.gz NNQNOGPJOOQIFP-OUAUKWLOSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1C ZINC000132954718 176373739 /nfs/dbraw/zinc/37/37/39/176373739.db2.gz NNQNOGPJOOQIFP-OUAUKWLOSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357240656 176657350 /nfs/dbraw/zinc/65/73/50/176657350.db2.gz JTDHONXKKJOJJS-BBBLOLIVSA-N 1 3 225.336 0.323 20 0 BCADHO CN(C(=O)C1(N)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000178409423 487635625 /nfs/dbraw/zinc/63/56/25/487635625.db2.gz UQKBZMICGFXJJN-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670569 177127819 /nfs/dbraw/zinc/12/78/19/177127819.db2.gz UFAYGOWCKXXSTQ-DMDPSCGWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)NC2CCN(C)CC2)C1 ZINC000126109212 177175850 /nfs/dbraw/zinc/17/58/50/177175850.db2.gz NLMWXUASJUETSV-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC([NH3+])CC1 ZINC000336515130 177186572 /nfs/dbraw/zinc/18/65/72/177186572.db2.gz JWSJYDGNHHBNSC-PHIMTYICSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]1CN(C(=O)C2(N)CCCCC2)CC[C@H]1[NH3+] ZINC000336302902 177212488 /nfs/dbraw/zinc/21/24/88/177212488.db2.gz BFTIBPHEIMEZOA-WDEREUQCSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CCN1C ZINC000132955747 177329263 /nfs/dbraw/zinc/32/92/63/177329263.db2.gz IYRMOWSMMIUCEY-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CCN1C ZINC000132955328 177367007 /nfs/dbraw/zinc/36/70/07/177367007.db2.gz IYRMOWSMMIUCEY-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C(C)(C)C[NH3+])CCN1C ZINC000133150381 177367044 /nfs/dbraw/zinc/36/70/44/177367044.db2.gz KYPUKFULLNOADH-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000094648198 177394969 /nfs/dbraw/zinc/39/49/69/177394969.db2.gz ZWOSTHOBJLBCMI-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H]1C ZINC000377561356 177395666 /nfs/dbraw/zinc/39/56/66/177395666.db2.gz HHEMNJKRJVMOOC-DDHJBXDOSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H](CNC(=O)/C=C\CN(C)C)C[NH+](C)C ZINC000492838315 226064206 /nfs/dbraw/zinc/06/42/06/226064206.db2.gz MAUXGBZVYIJATP-JMEBYUIHSA-N 1 3 227.352 0.418 20 0 BCADHO CN(C)C/C=C\C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000492947060 226089885 /nfs/dbraw/zinc/08/98/85/226089885.db2.gz DVSSOGDUFWOLMK-SKXBYLJPSA-N 1 3 237.347 0.124 20 0 BCADHO CN(C)C/C=C\C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000492947060 226089891 /nfs/dbraw/zinc/08/98/91/226089891.db2.gz DVSSOGDUFWOLMK-SKXBYLJPSA-N 1 3 237.347 0.124 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000493897162 226258647 /nfs/dbraw/zinc/25/86/47/226258647.db2.gz LZGLAXVLZSQYIF-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000494704794 226268367 /nfs/dbraw/zinc/26/83/67/226268367.db2.gz UCMIIZAYEIIDEK-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000226084609 487656547 /nfs/dbraw/zinc/65/65/47/487656547.db2.gz DWKWFORBWOYJLU-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO O[C@H]1CCCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329311 487657826 /nfs/dbraw/zinc/65/78/26/487657826.db2.gz HAKBZMWXOBCITC-NDBYEHHHSA-N 1 3 224.348 0.689 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CC)C[C@@H]1C ZINC000383659687 487658820 /nfs/dbraw/zinc/65/88/20/487658820.db2.gz LGCKMWIHJLINDI-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000383659687 487658824 /nfs/dbraw/zinc/65/88/24/487658824.db2.gz LGCKMWIHJLINDI-STQMWFEESA-N 1 3 243.395 0.325 20 0 BCADHO C[C@H](CN(C)C[C@H](O)C[NH3+])C(C)(C)C ZINC000399484590 487663037 /nfs/dbraw/zinc/66/30/37/487663037.db2.gz DADCJTVNAQCXIC-NXEZZACHSA-N 1 3 202.342 0.920 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CCCN1C ZINC000394974038 262758892 /nfs/dbraw/zinc/75/88/92/262758892.db2.gz ZNMHCGCTLVEEMX-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000662621523 487675945 /nfs/dbraw/zinc/67/59/45/487675945.db2.gz UVINQLYJTLUCCV-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000662621523 487675948 /nfs/dbraw/zinc/67/59/48/487675948.db2.gz UVINQLYJTLUCCV-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000054075505 487683795 /nfs/dbraw/zinc/68/37/95/487683795.db2.gz GOWISBLNXZHFNN-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)[C@H](CCO)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000384039532 487689650 /nfs/dbraw/zinc/68/96/50/487689650.db2.gz UWSBGFOYNOFCJY-OLZOCXBDSA-N 1 3 246.395 0.684 20 0 BCADHO CC(C)[C@H](CCO)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000384039532 487689652 /nfs/dbraw/zinc/68/96/52/487689652.db2.gz UWSBGFOYNOFCJY-OLZOCXBDSA-N 1 3 246.395 0.684 20 0 BCADHO CC(C)N1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000043802298 487698665 /nfs/dbraw/zinc/69/86/65/487698665.db2.gz XPGGPQYTRYJJCW-LBPRGKRZSA-N 1 3 227.352 0.001 20 0 BCADHO CCN(CC)CC(=O)NCC[NH2+]C1CC1 ZINC000151495166 487701817 /nfs/dbraw/zinc/70/18/17/487701817.db2.gz LOHPZDSUYFFDGN-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCC[NH2+]CC1 ZINC000653142312 487702150 /nfs/dbraw/zinc/70/21/50/487702150.db2.gz GWKSMWJERUFHFR-DCAQKATOSA-N 1 3 243.326 0.192 20 0 BCADHO OCCC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000097817918 487703266 /nfs/dbraw/zinc/70/32/66/487703266.db2.gz GXBRVBQADMWHOZ-LBPRGKRZSA-N 1 3 242.363 0.195 20 0 BCADHO CN1CCC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000669402967 487704099 /nfs/dbraw/zinc/70/40/99/487704099.db2.gz CBAXWCNDVXTAFB-QWRGUYRKSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000669402968 487704502 /nfs/dbraw/zinc/70/45/02/487704502.db2.gz CBAXWCNDVXTAFB-WDEREUQCSA-N 1 3 240.351 0.117 20 0 BCADHO CN(C(=O)N[C@H]1CCCN(C)C1)C1CC([NH3+])C1 ZINC000669402960 487704523 /nfs/dbraw/zinc/70/45/23/487704523.db2.gz BZTLYTWTRKHWQF-YVNMAJEFSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403192 487705402 /nfs/dbraw/zinc/70/54/02/487705402.db2.gz OIVNJJXMLQYDDI-QWRGUYRKSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000669403310 487706595 /nfs/dbraw/zinc/70/65/95/487706595.db2.gz UPOFZCNKTCEBGZ-DCAQKATOSA-N 1 3 240.351 0.212 20 0 BCADHO CN[C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164354 487707690 /nfs/dbraw/zinc/70/76/90/487707690.db2.gz OFSAHYRKWSIKEO-YEJSDXFRSA-N 1 3 239.363 0.726 20 0 BCADHO CN[C@@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164354 487707697 /nfs/dbraw/zinc/70/76/97/487707697.db2.gz OFSAHYRKWSIKEO-YEJSDXFRSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CO)[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000228721302 487719011 /nfs/dbraw/zinc/71/90/11/487719011.db2.gz SUXVDDAUGWWEBB-GRYCIOLGSA-N 1 3 230.352 0.050 20 0 BCADHO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H](C)CO ZINC000228721283 487719146 /nfs/dbraw/zinc/71/91/46/487719146.db2.gz SUXVDDAUGWWEBB-IJLUTSLNSA-N 1 3 230.352 0.050 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)[C@H](C)CC ZINC000309806133 487724776 /nfs/dbraw/zinc/72/47/76/487724776.db2.gz SEOTYRUFRVAICV-ZJUUUORDSA-N 1 3 215.341 0.476 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000082771603 487728716 /nfs/dbraw/zinc/72/87/16/487728716.db2.gz UEFDBVIOKOKDBV-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCN(CCO)CC[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000681108863 487728353 /nfs/dbraw/zinc/72/83/53/487728353.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000681108863 487728357 /nfs/dbraw/zinc/72/83/57/487728357.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000681108863 487728364 /nfs/dbraw/zinc/72/83/64/487728364.db2.gz NHUZSIYEBQYOEM-STQMWFEESA-N 1 3 243.395 0.373 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000226394365 487730269 /nfs/dbraw/zinc/73/02/69/487730269.db2.gz BYMHIKAJOPOULP-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCN[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146632 487732743 /nfs/dbraw/zinc/73/27/43/487732743.db2.gz RPBNNJPNNXRLKT-WSMDXJOWSA-N 1 3 239.363 0.726 20 0 BCADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000379459464 487734118 /nfs/dbraw/zinc/73/41/18/487734118.db2.gz QUOLQNFYGUVIPW-STQMWFEESA-N 1 3 224.348 0.954 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCOCC1 ZINC000379459460 487734566 /nfs/dbraw/zinc/73/45/66/487734566.db2.gz QUOLQNFYGUVIPW-CHWSQXEVSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@H](CNC(=O)C1(N)CCCC1)[N@H+](C)C1CC1 ZINC000226398900 487734899 /nfs/dbraw/zinc/73/48/99/487734899.db2.gz BJCZWBYPYKSZCO-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CNC(=O)C1(N)CCCC1)[N@@H+](C)C1CC1 ZINC000226398900 487734904 /nfs/dbraw/zinc/73/49/04/487734904.db2.gz BJCZWBYPYKSZCO-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CN1CCC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000250582298 487735616 /nfs/dbraw/zinc/73/56/16/487735616.db2.gz GEOQCBJKXFMHQQ-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250787524 487739711 /nfs/dbraw/zinc/73/97/11/487739711.db2.gz YUKLHSKDBFGGAU-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250787524 487739716 /nfs/dbraw/zinc/73/97/16/487739716.db2.gz YUKLHSKDBFGGAU-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO [NH3+]CC12CC(C1)CN2C(=O)C1(NC2CC2)CCC1 ZINC000662875499 487743355 /nfs/dbraw/zinc/74/33/55/487743355.db2.gz JJGYHAKBUGDOCZ-UHFFFAOYSA-N 1 3 249.358 0.611 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659515580 487762389 /nfs/dbraw/zinc/76/23/89/487762389.db2.gz KNPWWHVVBOWQIH-QWRGUYRKSA-N 1 3 240.351 0.132 20 0 BCADHO O[C@@H](CNC[C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000089169186 487765049 /nfs/dbraw/zinc/76/50/49/487765049.db2.gz GDOUPAYQYPQPMN-AGIUHOORSA-N 1 3 242.363 0.194 20 0 BCADHO CN1CC[C@@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617392 487772827 /nfs/dbraw/zinc/77/28/27/487772827.db2.gz GWMARFHHFKJWFT-WCQYABFASA-N 1 3 237.347 0.293 20 0 BCADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1 ZINC000649617392 487772831 /nfs/dbraw/zinc/77/28/31/487772831.db2.gz GWMARFHHFKJWFT-WCQYABFASA-N 1 3 237.347 0.293 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000662965777 487774813 /nfs/dbraw/zinc/77/48/13/487774813.db2.gz NVCNRWFCQFOBON-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO CN(C)CCOCCNC(=O)CCC(C)(C)[NH3+] ZINC000234260032 487788280 /nfs/dbraw/zinc/78/82/80/487788280.db2.gz DJSLMFSHRIRFRP-UHFFFAOYSA-N 1 3 245.367 0.198 20 0 BCADHO C[C@@](C[NH3+])(NCCOC(F)F)C1CC1 ZINC000852740695 588698520 /nfs/dbraw/zinc/69/85/20/588698520.db2.gz JVOFBZYKJGFBLC-VIFPVBQESA-N 1 3 208.252 0.943 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000389891709 487844646 /nfs/dbraw/zinc/84/46/46/487844646.db2.gz OAPRNXBACKJOBY-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC(F)F)C1 ZINC000389891709 487844650 /nfs/dbraw/zinc/84/46/50/487844650.db2.gz OAPRNXBACKJOBY-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO CCN(CC(=O)N(C)C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666620266 487846163 /nfs/dbraw/zinc/84/61/63/487846163.db2.gz ZSGKUCXYTFNMJE-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CCNC(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000666627475 487847112 /nfs/dbraw/zinc/84/71/12/487847112.db2.gz FCMDHEUMUCIPEZ-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655516282 487897703 /nfs/dbraw/zinc/89/77/03/487897703.db2.gz RPGHBWORUAIKDS-ZETCQYMHSA-N 1 3 241.257 0.334 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655516260 487898117 /nfs/dbraw/zinc/89/81/17/487898117.db2.gz QVSAXWDXUXLMSW-WDSKDSINSA-N 1 3 227.230 0.120 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@@H](C)[NH3+])CCN1 ZINC000309408496 487920996 /nfs/dbraw/zinc/92/09/96/487920996.db2.gz IGKXBEILNVYLRB-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000235155849 487925416 /nfs/dbraw/zinc/92/54/16/487925416.db2.gz TWKJCGDIAOIBMA-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(CCNC(=O)N(C)CC[NH2+]C)C1CC1 ZINC000417483676 487930623 /nfs/dbraw/zinc/93/06/23/487930623.db2.gz JSTKTGRNLXJMRR-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188754075 487949632 /nfs/dbraw/zinc/94/96/32/487949632.db2.gz GZUBLECFILPVRT-OUAUKWLOSA-N 1 3 245.342 0.533 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188754075 487949638 /nfs/dbraw/zinc/94/96/38/487949638.db2.gz GZUBLECFILPVRT-OUAUKWLOSA-N 1 3 245.342 0.533 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000564947239 322976744 /nfs/dbraw/zinc/97/67/44/322976744.db2.gz DOAQKNDANMBDHP-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566481882 323001167 /nfs/dbraw/zinc/00/11/67/323001167.db2.gz HNGTUVKRBQICQA-JHJVBQTASA-N 1 3 244.379 0.879 20 0 BCADHO C[C@@H]1C[C@@H](C)N(CCn2cncn2)C[C@@H]1C[NH3+] ZINC000397479753 323017664 /nfs/dbraw/zinc/01/76/64/323017664.db2.gz LLDICWZQRXVMEI-UTUOFQBUSA-N 1 3 237.351 0.583 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC[NH3+] ZINC000566853722 323019250 /nfs/dbraw/zinc/01/92/50/323019250.db2.gz RYWYSAVSDYUVJJ-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569727841 323039003 /nfs/dbraw/zinc/03/90/03/323039003.db2.gz UVVJLZQVQLDAPO-NXEZZACHSA-N 1 3 215.341 0.569 20 0 BCADHO [NH3+]C1(CNC(=O)C[C@@H]2CSCCN2)CCC1 ZINC000569842639 323042536 /nfs/dbraw/zinc/04/25/36/323042536.db2.gz WYZCXBFTFQUEFG-SECBINFHSA-N 1 3 243.376 0.079 20 0 BCADHO C[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000570082161 323049267 /nfs/dbraw/zinc/04/92/67/323049267.db2.gz SAEGKPWNZXQTDF-DRZSPHRISA-N 1 3 242.363 0.335 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)CC(C)(C)C ZINC000570169195 323051814 /nfs/dbraw/zinc/05/18/14/323051814.db2.gz OUNWEGYZSATYIF-LLVKDONJSA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)CC(C)(C)C ZINC000570169195 323051815 /nfs/dbraw/zinc/05/18/15/323051815.db2.gz OUNWEGYZSATYIF-LLVKDONJSA-N 1 3 202.342 0.935 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CC(C)(C)C ZINC000570169195 323051816 /nfs/dbraw/zinc/05/18/16/323051816.db2.gz OUNWEGYZSATYIF-LLVKDONJSA-N 1 3 202.342 0.935 20 0 BCADHO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000570334768 323056375 /nfs/dbraw/zinc/05/63/75/323056375.db2.gz MWCHFRIWIQBTCT-UMNHJUIQSA-N 1 3 237.347 0.419 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000155236354 323061044 /nfs/dbraw/zinc/06/10/44/323061044.db2.gz AOYPCACEJJJNCL-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CC[C@H](C)C1 ZINC000570685967 323067190 /nfs/dbraw/zinc/06/71/90/323067190.db2.gz BUUFZTHEPRJPHS-UWVGGRQHSA-N 1 3 213.325 0.039 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000570849996 323072479 /nfs/dbraw/zinc/07/24/79/323072479.db2.gz VJLPTEAYRIHXNG-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[NH2+]CCCN[C@H]1CN(C)C[C@H]1C ZINC000570918473 323074277 /nfs/dbraw/zinc/07/42/77/323074277.db2.gz PGJTZEDQVLDDFD-NEPJUHHUSA-N 1 3 213.369 0.914 20 0 BCADHO C[NH+](C)C/C=C/C(=O)NCCN1CCCCC1 ZINC000491625470 323081452 /nfs/dbraw/zinc/08/14/52/323081452.db2.gz CJJYRYCGTSQZHM-VOTSOKGWSA-N 1 3 239.363 0.706 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000563096774 323092153 /nfs/dbraw/zinc/09/21/53/323092153.db2.gz JNVDIONHLANWRN-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000563101433 323092446 /nfs/dbraw/zinc/09/24/46/323092446.db2.gz HOVFSMBFNPMIHO-YUMQZZPRSA-N 1 3 237.294 0.603 20 0 BCADHO [NH3+]C[C@H](NC(=O)c1ccc2c(c1)CNC2)C1CC1 ZINC000563104640 323092516 /nfs/dbraw/zinc/09/25/16/323092516.db2.gz YXGYGMPZBPFXOV-ZDUSSCGKSA-N 1 3 245.326 0.757 20 0 BCADHO [NH3+]C[C@@H](NC(=O)c1ccc2c(c1)CNC2)C1CC1 ZINC000563104639 323092534 /nfs/dbraw/zinc/09/25/34/323092534.db2.gz YXGYGMPZBPFXOV-CYBMUJFWSA-N 1 3 245.326 0.757 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000563156591 323096158 /nfs/dbraw/zinc/09/61/58/323096158.db2.gz COHZOHIZHCXMBH-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CCN(C)C(=O)CCN(C)C1CC[NH2+]CC1 ZINC000567893336 323097483 /nfs/dbraw/zinc/09/74/83/323097483.db2.gz AMDVITSRCSHQEI-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCN(C)C(=O)CC[N@H+](C)C1CCNCC1 ZINC000567893336 323097484 /nfs/dbraw/zinc/09/74/84/323097484.db2.gz AMDVITSRCSHQEI-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCN(C)C(=O)CC[N@@H+](C)C1CCNCC1 ZINC000567893336 323097485 /nfs/dbraw/zinc/09/74/85/323097485.db2.gz AMDVITSRCSHQEI-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000563164371 323099193 /nfs/dbraw/zinc/09/91/93/323099193.db2.gz MBIIKHHPTVPPQB-NTZNESFSSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000563170485 323099922 /nfs/dbraw/zinc/09/99/22/323099922.db2.gz SDJRZBODHJDSPZ-LURJTMIESA-N 1 3 223.267 0.213 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC(C)CC1 ZINC000570973440 323102419 /nfs/dbraw/zinc/10/24/19/323102419.db2.gz BCAUGESACKULPY-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(C)CC1 ZINC000570973440 323102420 /nfs/dbraw/zinc/10/24/20/323102420.db2.gz BCAUGESACKULPY-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H]1C[C@@H](C)N(C(=O)CNC2CC2)C[C@@H]1C[NH3+] ZINC000571037696 323104380 /nfs/dbraw/zinc/10/43/80/323104380.db2.gz IBZIGLVKOBLUHH-MXWKQRLJSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000571048024 323105375 /nfs/dbraw/zinc/10/53/75/323105375.db2.gz YZIVVBOCDDZKQR-QMMMGPOBSA-N 1 3 207.277 0.109 20 0 BCADHO O=C(CC[NH2+]C1CC1)N[C@@H]1CNCCC1(F)F ZINC000571060327 323106288 /nfs/dbraw/zinc/10/62/88/323106288.db2.gz LVAPZRXXAXVADZ-SECBINFHSA-N 1 3 247.289 0.242 20 0 BCADHO C[C@H](CC(=O)N(C)C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000531729200 323111715 /nfs/dbraw/zinc/11/17/15/323111715.db2.gz NDLJHFNSMMEGLF-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](CC(=O)N(C)C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531729200 323111716 /nfs/dbraw/zinc/11/17/16/323111716.db2.gz NDLJHFNSMMEGLF-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000563411370 323124697 /nfs/dbraw/zinc/12/46/97/323124697.db2.gz FCOAUGRUUCSAST-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000563411370 323124698 /nfs/dbraw/zinc/12/46/98/323124698.db2.gz FCOAUGRUUCSAST-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](CN)c1ccccc1 ZINC000563583029 323130456 /nfs/dbraw/zinc/13/04/56/323130456.db2.gz FREGUGGBDPHIIU-CYBMUJFWSA-N 1 3 249.358 0.845 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000563583044 323130549 /nfs/dbraw/zinc/13/05/49/323130549.db2.gz HNUWBOFVZGUSJJ-GRYCIOLGSA-N 1 3 239.363 0.490 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000563588594 323130701 /nfs/dbraw/zinc/13/07/01/323130701.db2.gz JONJNPLTGVWDFN-SRVKXCTJSA-N 1 3 241.379 0.851 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000563623581 323132139 /nfs/dbraw/zinc/13/21/39/323132139.db2.gz LCQIKESMZZJJOL-OPRDCNLKSA-N 1 3 213.325 0.167 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000563623578 323132146 /nfs/dbraw/zinc/13/21/46/323132146.db2.gz LCQIKESMZZJJOL-KXUCPTDWSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@H](N)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571080376 323135086 /nfs/dbraw/zinc/13/50/86/323135086.db2.gz YRMLDZANYBJNGT-QMMMGPOBSA-N 1 3 219.288 0.618 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000571178899 323137176 /nfs/dbraw/zinc/13/71/76/323137176.db2.gz SLZLRSBBKHFGGD-VWYCJHECSA-N 1 3 223.324 0.526 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000571401021 323143587 /nfs/dbraw/zinc/14/35/87/323143587.db2.gz LYEAYKJHZHAFSZ-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO COC[C@@H](C)[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000571443585 323145011 /nfs/dbraw/zinc/14/50/11/323145011.db2.gz YLXFOGLXFQIXHM-VXGBXAGGSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@@H](C)[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000571443585 323145012 /nfs/dbraw/zinc/14/50/12/323145012.db2.gz YLXFOGLXFQIXHM-VXGBXAGGSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@@H](C)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571443585 323145013 /nfs/dbraw/zinc/14/50/13/323145013.db2.gz YLXFOGLXFQIXHM-VXGBXAGGSA-N 1 3 242.363 0.709 20 0 BCADHO C[C@@H](CNC(=O)CCCC[NH3+])N1CCCC1 ZINC000161078980 323145893 /nfs/dbraw/zinc/14/58/93/323145893.db2.gz PLAJMZAFECPFGP-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000571558225 323147891 /nfs/dbraw/zinc/14/78/91/323147891.db2.gz RKDGBEGXBXQOMA-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CN1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000572856068 323149312 /nfs/dbraw/zinc/14/93/12/323149312.db2.gz WPWLXGMPIQJMSR-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO COC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)C1CC1 ZINC000397273926 323150427 /nfs/dbraw/zinc/15/04/27/323150427.db2.gz YLFRDVIUZNJZOD-WCQGTBRESA-N 1 3 212.337 0.999 20 0 BCADHO COC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000397273926 323150428 /nfs/dbraw/zinc/15/04/28/323150428.db2.gz YLFRDVIUZNJZOD-WCQGTBRESA-N 1 3 212.337 0.999 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559615 323162421 /nfs/dbraw/zinc/16/24/21/323162421.db2.gz IBSKSKJEBVLHKB-VWYCJHECSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000152327306 323176450 /nfs/dbraw/zinc/17/64/50/323176450.db2.gz WFNAPAKLWLVHNH-WXHSDQCUSA-N 1 3 247.342 0.882 20 0 BCADHO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000152327415 323176455 /nfs/dbraw/zinc/17/64/55/323176455.db2.gz WFNAPAKLWLVHNH-WCFLWFBJSA-N 1 3 247.342 0.882 20 0 BCADHO CC1CCN(CCNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000399253697 323202148 /nfs/dbraw/zinc/20/21/48/323202148.db2.gz NQZSHJVVMHGGSN-UHFFFAOYSA-N 1 3 239.363 0.444 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@@H]2COCCN2)[C@@H](C)C1 ZINC000530226753 323219561 /nfs/dbraw/zinc/21/95/61/323219561.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COCCN2)[C@@H](C)C1 ZINC000530226753 323219562 /nfs/dbraw/zinc/21/95/62/323219562.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H]2COCCN2)[C@@H](C)C1 ZINC000530226753 323219563 /nfs/dbraw/zinc/21/95/63/323219563.db2.gz YJPXLLTZNBGHFW-XQQFMLRXSA-N 1 3 241.379 0.295 20 0 BCADHO CC(C)(C)[C@@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC000324590353 323241909 /nfs/dbraw/zinc/24/19/09/323241909.db2.gz DMLXGWLJXOTPEJ-QWRGUYRKSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCNC1 ZINC000324590353 323241913 /nfs/dbraw/zinc/24/19/13/323241913.db2.gz DMLXGWLJXOTPEJ-QWRGUYRKSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCCN1CCOCC1 ZINC000565155140 323320009 /nfs/dbraw/zinc/32/00/09/323320009.db2.gz CPPOTINEAVZSFA-OLZOCXBDSA-N 1 3 241.379 0.520 20 0 BCADHO CCN(C[C@H](O)C[N@H+](C)CC)CC(C)(C)O ZINC000309281554 323340873 /nfs/dbraw/zinc/34/08/73/323340873.db2.gz TWVJNSBVFKMVAP-LLVKDONJSA-N 1 3 232.368 0.392 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CNC(C)(C)C(C)(C)O ZINC000309216430 323329538 /nfs/dbraw/zinc/32/95/38/323329538.db2.gz FPJLOSNCJZCFIT-JTQLQIEISA-N 1 3 232.368 0.438 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CNC(C)(C)C(C)(C)O ZINC000309216430 323329539 /nfs/dbraw/zinc/32/95/39/323329539.db2.gz FPJLOSNCJZCFIT-JTQLQIEISA-N 1 3 232.368 0.438 20 0 BCADHO CCN(C[C@H](O)C[N@@H+](C)CC)CC(C)(C)O ZINC000309281554 323340879 /nfs/dbraw/zinc/34/08/79/323340879.db2.gz TWVJNSBVFKMVAP-LLVKDONJSA-N 1 3 232.368 0.392 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000309362134 323345992 /nfs/dbraw/zinc/34/59/92/323345992.db2.gz AOYPCACEJJJNCL-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000309515503 323421922 /nfs/dbraw/zinc/42/19/22/323421922.db2.gz YMRZONWTFFTBPV-UWVGGRQHSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000571795441 323482160 /nfs/dbraw/zinc/48/21/60/323482160.db2.gz YPVZWBSTLCZYPL-SNVBAGLBSA-N 1 3 248.330 0.172 20 0 BCADHO C[C@]1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1 ZINC000571820415 323487015 /nfs/dbraw/zinc/48/70/15/323487015.db2.gz CJKNGIIIBYPJQE-JBLDHEPKSA-N 1 3 225.336 0.515 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@@H](C)[NH3+] ZINC000041680310 487958887 /nfs/dbraw/zinc/95/88/87/487958887.db2.gz OCIBFCYQPRPRHA-SNVBAGLBSA-N 1 3 215.341 0.524 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000572179163 323559908 /nfs/dbraw/zinc/55/99/08/323559908.db2.gz KHLFPLUKCONVKS-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000083907435 487964213 /nfs/dbraw/zinc/96/42/13/487964213.db2.gz YPNWBRRRTUADLS-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)N(C)C ZINC000126541583 324702772 /nfs/dbraw/zinc/70/27/72/324702772.db2.gz LKNSNUGZSNPGRV-JTQLQIEISA-N 1 3 229.368 0.831 20 0 BCADHO CC(C)N(C)CC(=O)NCC[NH+](C)C ZINC000130789011 325088340 /nfs/dbraw/zinc/08/83/40/325088340.db2.gz HVTMKJLUJBXQEC-UHFFFAOYSA-N 1 3 201.314 0.004 20 0 BCADHO CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000131472607 325154937 /nfs/dbraw/zinc/15/49/37/325154937.db2.gz PVCNJQXQXMUPHT-NSHDSACASA-N 1 3 229.368 0.783 20 0 BCADHO CC[C@@H](C(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000131472607 325154939 /nfs/dbraw/zinc/15/49/39/325154939.db2.gz PVCNJQXQXMUPHT-NSHDSACASA-N 1 3 229.368 0.783 20 0 BCADHO CCN(CC)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000564806857 325811107 /nfs/dbraw/zinc/81/11/07/325811107.db2.gz FWXWIVWUKUODMU-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)CCOC2CNC2)cc1 ZINC000564835663 325814144 /nfs/dbraw/zinc/81/41/44/325814144.db2.gz OCCNKYAJGAQURY-UHFFFAOYSA-N 1 3 249.314 0.462 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000564949550 325832486 /nfs/dbraw/zinc/83/24/86/325832486.db2.gz ANEWJLNEPUMBDJ-KXUCPTDWSA-N 1 3 225.336 0.323 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000564996902 325843612 /nfs/dbraw/zinc/84/36/12/325843612.db2.gz ZRPNEFGEESNPFT-SFYZADRCSA-N 1 3 249.305 0.473 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000565717546 325947791 /nfs/dbraw/zinc/94/77/91/325947791.db2.gz MJODGTGKLGXWGO-PWSUYJOCSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH3+] ZINC000566195157 326010799 /nfs/dbraw/zinc/01/07/99/326010799.db2.gz BLXNXWXBPCRUME-JTQLQIEISA-N 1 3 213.325 0.324 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000566213318 326014352 /nfs/dbraw/zinc/01/43/52/326014352.db2.gz ZXQVXJAWYBGCTA-MXWKQRLJSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000566618778 326068301 /nfs/dbraw/zinc/06/83/01/326068301.db2.gz FVRKRRDBQHRRRH-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1CNCc2ccccc21 ZINC000566855175 326088292 /nfs/dbraw/zinc/08/82/92/326088292.db2.gz VLJWYAOQINOVQI-GWCFXTLKSA-N 1 3 247.342 0.727 20 0 BCADHO N[C@@H](C(=O)NCC1CC[NH2+]CC1)C1CCC1 ZINC000566914071 326093663 /nfs/dbraw/zinc/09/36/63/326093663.db2.gz WGWWWRYODLHIEV-LLVKDONJSA-N 1 3 225.336 0.230 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918031 326093910 /nfs/dbraw/zinc/09/39/10/326093910.db2.gz DQOHWYQDWFGZMT-AXFHLTTASA-N 1 3 200.326 0.545 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918031 326093912 /nfs/dbraw/zinc/09/39/12/326093912.db2.gz DQOHWYQDWFGZMT-AXFHLTTASA-N 1 3 200.326 0.545 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(N)C(F)(F)F)CC[NH2+]1 ZINC000567047543 326106353 /nfs/dbraw/zinc/10/63/53/326106353.db2.gz IZPJJOVGFGTQJV-DSYKOEDSSA-N 1 3 239.241 0.133 20 0 BCADHO CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154396764 326142589 /nfs/dbraw/zinc/14/25/89/326142589.db2.gz WZCKWVKGGRPNCP-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000309784630 326163321 /nfs/dbraw/zinc/16/33/21/326163321.db2.gz NSFLIWUGFWMTEB-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000309823350 326170353 /nfs/dbraw/zinc/17/03/53/326170353.db2.gz WVEWHSHMXFQGAX-JHJVBQTASA-N 1 3 225.380 0.868 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354089 326172399 /nfs/dbraw/zinc/17/23/99/326172399.db2.gz XAQWVDNWXXWZMI-NNYUYHANSA-N 1 3 239.363 0.522 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567383454 326180021 /nfs/dbraw/zinc/18/00/21/326180021.db2.gz AGXPSBIKCDBZMN-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO NC[C@H]1c2ccccc2CCN1C(=O)CCC[NH3+] ZINC000567389162 326182168 /nfs/dbraw/zinc/18/21/68/326182168.db2.gz PWYDQGGAOBDQAM-ZDUSSCGKSA-N 1 3 247.342 0.810 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000567731997 326252822 /nfs/dbraw/zinc/25/28/22/326252822.db2.gz JFJCUMKNTSPVDC-YPMHNXCESA-N 1 3 241.379 0.914 20 0 BCADHO Cn1cnc(CCN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000313248525 326260225 /nfs/dbraw/zinc/26/02/25/326260225.db2.gz BRKBAUUIBAZTFJ-WDEREUQCSA-N 1 3 222.336 0.822 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)C1CC1 ZINC000567824908 326264408 /nfs/dbraw/zinc/26/44/08/326264408.db2.gz KMZSXLCNDHHTKP-JTQLQIEISA-N 1 3 239.363 0.680 20 0 BCADHO CN(C)CCN(C(=O)CC1(C[NH3+])CC1)C1CC1 ZINC000567824917 326264673 /nfs/dbraw/zinc/26/46/73/326264673.db2.gz KWWHCOQIUBGJTM-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H](O)[C@@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000567873341 326274550 /nfs/dbraw/zinc/27/45/50/326274550.db2.gz SNIDWNKOEMJOCO-IJLUTSLNSA-N 1 3 230.352 0.192 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567923001 326283693 /nfs/dbraw/zinc/28/36/93/326283693.db2.gz WYCDBTSNTBHYEV-GFCCVEGCSA-N 1 3 235.331 0.745 20 0 BCADHO C[NH2+]CCNC(=O)C[C@@H](N)c1ccccc1 ZINC000163275156 326311616 /nfs/dbraw/zinc/31/16/16/326311616.db2.gz QZDRNUOGSFKSML-LLVKDONJSA-N 1 3 221.304 0.412 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234101 326330914 /nfs/dbraw/zinc/33/09/14/326330914.db2.gz DZWRBJNDEHLLSA-WDEREUQCSA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234101 326330915 /nfs/dbraw/zinc/33/09/15/326330915.db2.gz DZWRBJNDEHLLSA-WDEREUQCSA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234099 326331062 /nfs/dbraw/zinc/33/10/62/326331062.db2.gz DZWRBJNDEHLLSA-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234099 326331065 /nfs/dbraw/zinc/33/10/65/326331065.db2.gz DZWRBJNDEHLLSA-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000568516812 326362045 /nfs/dbraw/zinc/36/20/45/326362045.db2.gz OQPNGCDXNKJFRR-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CCN(CCNC(=O)[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000568517519 326362255 /nfs/dbraw/zinc/36/22/55/326362255.db2.gz PJMJLQAMSKIAOE-AOOOYVTPSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000568747763 326373841 /nfs/dbraw/zinc/37/38/41/326373841.db2.gz MGPLAEDULRTXIL-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](C(=O)N(CCN(C)C)C1CC1)C1C[NH2+]C1 ZINC000568760234 326375484 /nfs/dbraw/zinc/37/54/84/326375484.db2.gz BYEKAEXVAMFURG-JTQLQIEISA-N 1 3 239.363 0.395 20 0 BCADHO NC1(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000568974914 326384304 /nfs/dbraw/zinc/38/43/04/326384304.db2.gz BNHHUZFRYPGDAK-UHFFFAOYSA-N 1 3 235.287 0.454 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000568998819 326385917 /nfs/dbraw/zinc/38/59/17/326385917.db2.gz GGOHWFFKKRKYNQ-ZYHUDNBSSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@@H](NC(=O)CNC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000569095022 326389532 /nfs/dbraw/zinc/38/95/32/326389532.db2.gz BSKJMHLWVJIFAH-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)N1CCCC1 ZINC000164695795 326415804 /nfs/dbraw/zinc/41/58/04/326415804.db2.gz WVVTYOGFACUQMT-GHMZBOCLSA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000572876635 326416486 /nfs/dbraw/zinc/41/64/86/326416486.db2.gz PSEJIWRBSXWLTJ-ZYHUDNBSSA-N 1 3 227.352 0.620 20 0 BCADHO COC[C@H](C)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396554967 487972960 /nfs/dbraw/zinc/97/29/60/487972960.db2.gz GFDPPAONRXSFPA-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H](C(=O)N1CCNCC1(C)C)[C@H](C)[NH3+] ZINC000309475680 487973489 /nfs/dbraw/zinc/97/34/89/487973489.db2.gz RYDMMXMHDIEZHZ-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446411172 487980951 /nfs/dbraw/zinc/98/09/51/487980951.db2.gz FKNAKYCCKMAQLH-UMNHJUIQSA-N 1 3 227.352 0.890 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446409069 487981064 /nfs/dbraw/zinc/98/10/64/487981064.db2.gz QZUDPOONIFWNIC-MXWKQRLJSA-N 1 3 227.352 0.746 20 0 BCADHO CCN(C[C@H]1CCOC1)C[C@H]1CC[NH2+]C1 ZINC000309646771 488009944 /nfs/dbraw/zinc/00/99/44/488009944.db2.gz QRYQIQLJVCXZHQ-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@]1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCCN1 ZINC000195272013 488012482 /nfs/dbraw/zinc/01/24/82/488012482.db2.gz WBFSHOHMWRULHI-NTZNESFSSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000165603316 488029097 /nfs/dbraw/zinc/02/90/97/488029097.db2.gz OLAQUEAYHGUHHC-VXGBXAGGSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)([NH3+])CC(=O)NC1CCN(C2CC2)CC1 ZINC000084168036 488032298 /nfs/dbraw/zinc/03/22/98/488032298.db2.gz QYCBJCQDIJASEC-UHFFFAOYSA-N 1 3 239.363 0.857 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000655449198 488038079 /nfs/dbraw/zinc/03/80/79/488038079.db2.gz OYDRUFWMEJCQCV-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO COCC(COC)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000388381676 488043425 /nfs/dbraw/zinc/04/34/25/488043425.db2.gz QWCUMZCQTLXTPM-LLVKDONJSA-N 1 3 244.379 0.968 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395284 488049074 /nfs/dbraw/zinc/04/90/74/488049074.db2.gz LPNMIOROEZAXCS-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO CN(CC[NH3+])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491113 488053206 /nfs/dbraw/zinc/05/32/06/488053206.db2.gz MHRHXSXMDSIVKQ-NSHDSACASA-N 1 3 240.351 0.071 20 0 BCADHO C[NH2+][C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000655451981 488061284 /nfs/dbraw/zinc/06/12/84/488061284.db2.gz RXCJPWISQDJHQH-QMMMGPOBSA-N 1 3 234.303 0.274 20 0 BCADHO CC[C@@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000309423296 488064507 /nfs/dbraw/zinc/06/45/07/488064507.db2.gz KBMTULATFKGJMX-SNVBAGLBSA-N 1 3 207.277 0.821 20 0 BCADHO CC[C@H](N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000309423294 488064842 /nfs/dbraw/zinc/06/48/42/488064842.db2.gz KBMTULATFKGJMX-JTQLQIEISA-N 1 3 207.277 0.821 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)C1 ZINC000389150293 488078783 /nfs/dbraw/zinc/07/87/83/488078783.db2.gz JFOAAVXAXUYPQT-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092004380 488079472 /nfs/dbraw/zinc/07/94/72/488079472.db2.gz VZZROMHNTKAVQM-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000389162721 488079552 /nfs/dbraw/zinc/07/95/52/488079552.db2.gz LXJNFFNWTYJUHP-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC[NH2+]C)C1 ZINC000389156812 488079706 /nfs/dbraw/zinc/07/97/06/488079706.db2.gz KWGWBFOESXHHHQ-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H](C)C[NH3+])C1 ZINC000389169802 488080022 /nfs/dbraw/zinc/08/00/22/488080022.db2.gz NNACNANAMJMRME-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)C1 ZINC000389162725 488080032 /nfs/dbraw/zinc/08/00/32/488080032.db2.gz LXJNFFNWTYJUHP-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000389400395 488094385 /nfs/dbraw/zinc/09/43/85/488094385.db2.gz PLLCKDGOBGVMLV-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO OCC[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000389481903 488098576 /nfs/dbraw/zinc/09/85/76/488098576.db2.gz HDKJLGAUJWLBNT-RYUDHWBXSA-N 1 3 212.337 0.833 20 0 BCADHO C[NH+](C)CCn1cc(NC(=O)C(C)(C)N)cn1 ZINC000236988872 488099602 /nfs/dbraw/zinc/09/96/02/488099602.db2.gz XQPULJKRJCPADK-UHFFFAOYSA-N 1 3 239.323 0.121 20 0 BCADHO C([C@@H]1CC[NH2+]C1)N1CCN(C2CCC2)CC1 ZINC000378699301 488102140 /nfs/dbraw/zinc/10/21/40/488102140.db2.gz IFYRHWJFHHLWNR-GFCCVEGCSA-N 1 3 223.364 0.766 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000389647349 488104422 /nfs/dbraw/zinc/10/44/22/488104422.db2.gz NAFPFLJLLPMJEW-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000389683580 488105489 /nfs/dbraw/zinc/10/54/89/488105489.db2.gz YIXOTYYBXCSNGF-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669508979 488108011 /nfs/dbraw/zinc/10/80/11/488108011.db2.gz YNBWVSPRYXBFAZ-VWYCJHECSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000669509603 488110216 /nfs/dbraw/zinc/11/02/16/488110216.db2.gz HHTHMJYGHGNZCL-GRYCIOLGSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510339 488112614 /nfs/dbraw/zinc/11/26/14/488112614.db2.gz LJFOOLMSWJCTDY-GXSJLCMTSA-N 1 3 225.336 0.243 20 0 BCADHO [NH3+]C[C@@H](NC(=O)CNC1CC1)C1CCCCC1 ZINC000669511114 488115222 /nfs/dbraw/zinc/11/52/22/488115222.db2.gz SQVMOYAQZIVYIX-GFCCVEGCSA-N 1 3 239.363 0.762 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000669512388 488118530 /nfs/dbraw/zinc/11/85/30/488118530.db2.gz NFJDRGPEXXHLMN-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669513313 488120734 /nfs/dbraw/zinc/12/07/34/488120734.db2.gz YNBWVSPRYXBFAZ-GARJFASQSA-N 1 3 225.336 0.243 20 0 BCADHO CN1CCC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000258579497 488123022 /nfs/dbraw/zinc/12/30/22/488123022.db2.gz PUQBFPLSUUPFIO-QWRGUYRKSA-N 1 3 240.351 0.132 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCN1 ZINC000669514934 488123745 /nfs/dbraw/zinc/12/37/45/488123745.db2.gz TYRAVONDEVUNEI-YPMHNXCESA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC(C)(C)[NH3+])CCN1 ZINC000669514692 488124083 /nfs/dbraw/zinc/12/40/83/488124083.db2.gz ZYBJVJPSGJPSLI-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)CC(C)C)CC[C@@H]1[NH3+] ZINC000669516054 488126051 /nfs/dbraw/zinc/12/60/51/488126051.db2.gz PQWOCJKUDJZEPT-WOPDTQHZSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC1([NH3+])CCC1 ZINC000669516823 488126493 /nfs/dbraw/zinc/12/64/93/488126493.db2.gz HCNVSAIQWJHPDO-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CNC1CC1 ZINC000669518626 488130357 /nfs/dbraw/zinc/13/03/57/488130357.db2.gz URTCNVXDGJFLKM-LNLATYFQSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H](CCO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000085131493 488131916 /nfs/dbraw/zinc/13/19/16/488131916.db2.gz SVTIHWXVLZLMJB-NWDGAFQWSA-N 1 3 230.352 0.051 20 0 BCADHO CC(C)([NH3+])CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000070088311 487549296 /nfs/dbraw/zinc/54/92/96/487549296.db2.gz AYZGLIBTQVQAPX-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)([NH3+])CCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000070088310 487549338 /nfs/dbraw/zinc/54/93/38/487549338.db2.gz AYZGLIBTQVQAPX-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(CO)C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000168616521 487530244 /nfs/dbraw/zinc/53/02/44/487530244.db2.gz ABCMHKZEAUTIQT-VHSXEESVSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)(CO)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000168616521 487530249 /nfs/dbraw/zinc/53/02/49/487530249.db2.gz ABCMHKZEAUTIQT-VHSXEESVSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000669519857 488134673 /nfs/dbraw/zinc/13/46/73/488134673.db2.gz VDQUTBGITCOURL-GHMZBOCLSA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000086271497 487493325 /nfs/dbraw/zinc/49/33/25/487493325.db2.gz KRZNIQOLKGCAMM-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000161608369 487506565 /nfs/dbraw/zinc/50/65/65/487506565.db2.gz ODTYGLIAGVGRCG-DCAQKATOSA-N 1 3 225.336 0.515 20 0 BCADHO [NH3+]CCN(Cc1ccccc1)C[C@@H]1CNCCO1 ZINC000662266696 487503596 /nfs/dbraw/zinc/50/35/96/487503596.db2.gz OBHDCZVQMXVOFV-AWEZNQCLSA-N 1 3 249.358 0.436 20 0 BCADHO COC[C@H](CN1CC[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662266628 487503854 /nfs/dbraw/zinc/50/38/54/487503854.db2.gz NREQEQKXPSXYIA-VWYCJHECSA-N 1 3 216.325 0.317 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973207 487504760 /nfs/dbraw/zinc/50/47/60/487504760.db2.gz JVPIQQFWJKZANO-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO COC[C@H](CN1CC[C@H]([NH3+])[C@H](C)C1)OC ZINC000300375194 487511663 /nfs/dbraw/zinc/51/16/63/487511663.db2.gz PHBZDRPOYORTHL-VWYCJHECSA-N 1 3 216.325 0.317 20 0 BCADHO C[C@@H]1[NH2+]CCN(C[C@@H]2CCC3(CNC3)O2)[C@H]1C ZINC000662273675 487521685 /nfs/dbraw/zinc/52/16/85/487521685.db2.gz XTKPEFQURADFDC-SRVKXCTJSA-N 1 3 239.363 0.190 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000237314731 488145192 /nfs/dbraw/zinc/14/51/92/488145192.db2.gz UFOFCVGKSZNCRA-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CN(C[C@H]1CNCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000258991480 488145513 /nfs/dbraw/zinc/14/55/13/488145513.db2.gz VPAOGBOAOZFPGN-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CN(C[C@H]1CNCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000258991480 488145516 /nfs/dbraw/zinc/14/55/16/488145516.db2.gz VPAOGBOAOZFPGN-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CCCN1CC[C@H](NC(=O)CCCC[NH3+])C1 ZINC000389152500 488165482 /nfs/dbraw/zinc/16/54/82/488165482.db2.gz JVXYCAJWLHMYCT-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO N[C@@H](CNC(=O)CC[NH3+])c1ccccc1 ZINC000309634551 490044847 /nfs/dbraw/zinc/04/48/47/490044847.db2.gz SAFWBZOVPGYCOH-JTQLQIEISA-N 1 3 207.277 0.151 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000669520266 488139713 /nfs/dbraw/zinc/13/97/13/488139713.db2.gz SCBWNVKPLYNNNN-SFYZADRCSA-N 1 3 237.294 0.459 20 0 BCADHO CCN(CC)CC(=O)NC1CC([NH+](C)C)C1 ZINC000670402233 488143812 /nfs/dbraw/zinc/14/38/12/488143812.db2.gz PZGRYOYTBYOOIP-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CNCCO1 ZINC000258991483 488145473 /nfs/dbraw/zinc/14/54/73/488145473.db2.gz VPAOGBOAOZFPGN-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CNCCO1 ZINC000258991483 488145476 /nfs/dbraw/zinc/14/54/76/488145476.db2.gz VPAOGBOAOZFPGN-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CC2)CCN1C ZINC000398073942 488207641 /nfs/dbraw/zinc/20/76/41/488207641.db2.gz AVAUGHRBQPFWQP-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CC[NH+]1CCC(N(C)C[C@H]2CNCCO2)CC1 ZINC000043802986 488210138 /nfs/dbraw/zinc/21/01/38/488210138.db2.gz BNNBCPXOXFPQHG-CYBMUJFWSA-N 1 3 241.379 0.391 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)CC1([NH3+])CC1 ZINC000398098969 488210641 /nfs/dbraw/zinc/21/06/41/488210641.db2.gz WCNKLYXFSVYJPM-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)CC1([NH3+])CC1 ZINC000398152980 488212869 /nfs/dbraw/zinc/21/28/69/488212869.db2.gz SSIFTUMSTMIPQA-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CCN(CCNC(=O)CC1([NH3+])CC1)C1CC1 ZINC000398169358 488213480 /nfs/dbraw/zinc/21/34/80/488213480.db2.gz NRVPBIJWQRSEHN-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655505414 490106760 /nfs/dbraw/zinc/10/67/60/490106760.db2.gz ZCKXUVATORVTCL-ZETCQYMHSA-N 1 3 241.257 0.380 20 0 BCADHO CC(C)(O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000071382172 490261955 /nfs/dbraw/zinc/26/19/55/490261955.db2.gz CSMYDAJPYGLZIX-UHFFFAOYSA-N 1 3 235.331 0.975 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000584242200 490313084 /nfs/dbraw/zinc/31/30/84/490313084.db2.gz KVWZBSLIDLFEIX-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659305189 491078033 /nfs/dbraw/zinc/07/80/33/491078033.db2.gz FMTZSGZVUDLZLT-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)CNC ZINC000379459446 491089106 /nfs/dbraw/zinc/08/91/06/491089106.db2.gz QUARWZKXZPLYBH-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559740 491128799 /nfs/dbraw/zinc/12/87/99/491128799.db2.gz DAGZUZYRQNQLFB-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559670 491128811 /nfs/dbraw/zinc/12/88/11/491128811.db2.gz PDCUADPFJUCYSO-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC(C)C)C1 ZINC000037643470 491129089 /nfs/dbraw/zinc/12/90/89/491129089.db2.gz GMMJRYOEPXPMCZ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC(C)C)C1 ZINC000037643470 491129090 /nfs/dbraw/zinc/12/90/90/491129090.db2.gz GMMJRYOEPXPMCZ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO O[C@@H](C[NH2+]C1CSC1)CN1CCCC1 ZINC000308530392 491136924 /nfs/dbraw/zinc/13/69/24/491136924.db2.gz ZMQBLQLWYXKGPS-JTQLQIEISA-N 1 3 216.350 0.148 20 0 BCADHO C[C@H](NCCN1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400674413 533857349 /nfs/dbraw/zinc/85/73/49/533857349.db2.gz VGOVPHBXTGKIBL-NWDGAFQWSA-N 1 3 211.353 0.812 20 0 BCADHO C[NH+]1CCC(CN2CCCC[C@H]2C(N)=O)CC1 ZINC000891489098 582692052 /nfs/dbraw/zinc/69/20/52/582692052.db2.gz DYYUXWONLLIWIY-LBPRGKRZSA-N 1 3 239.363 0.668 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000348340615 535836197 /nfs/dbraw/zinc/83/61/97/535836197.db2.gz PODOVXLZSYTSSY-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CCCCNC(=[NH2+])NCCNc1ccncc1 ZINC000848995265 582820737 /nfs/dbraw/zinc/82/07/37/582820737.db2.gz NTYIOYSDQIKXKG-UHFFFAOYSA-N 1 3 235.335 0.829 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@](C)(O)C1 ZINC000179253052 536390089 /nfs/dbraw/zinc/39/00/89/536390089.db2.gz OJOGVSLPJXVTRZ-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CC[C@](C)(O)C1 ZINC000179253052 536390092 /nfs/dbraw/zinc/39/00/92/536390092.db2.gz OJOGVSLPJXVTRZ-RYUDHWBXSA-N 1 3 212.337 0.927 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000347654726 534901852 /nfs/dbraw/zinc/90/18/52/534901852.db2.gz MHGYICLONDAWNK-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000178867131 536462246 /nfs/dbraw/zinc/46/22/46/536462246.db2.gz GXZMZFMCLFEAIP-HBNTYKKESA-N 1 3 239.363 0.583 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494688340 528090082 /nfs/dbraw/zinc/09/00/82/528090082.db2.gz FETBZYAFPHUISW-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494681297 528495420 /nfs/dbraw/zinc/49/54/20/528495420.db2.gz KLFUMUDNVRYOQQ-SDDRHHMPSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494681297 528495427 /nfs/dbraw/zinc/49/54/27/528495427.db2.gz KLFUMUDNVRYOQQ-SDDRHHMPSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000494692931 528499269 /nfs/dbraw/zinc/49/92/69/528499269.db2.gz WGDRWWUYLKZHQC-HOSYDEDBSA-N 1 3 239.363 0.711 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000494649331 529249195 /nfs/dbraw/zinc/24/91/95/529249195.db2.gz MWSUXVFTWSHXQA-AXFHLTTASA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)(C)[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746015 535049576 /nfs/dbraw/zinc/04/95/76/535049576.db2.gz VEVLQBVWECOOAC-GXFFZTMASA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248563436 535051080 /nfs/dbraw/zinc/05/10/80/535051080.db2.gz BGPKDDGURFSVQU-MMWGEVLESA-N 1 3 225.336 0.165 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262459729 535058949 /nfs/dbraw/zinc/05/89/49/535058949.db2.gz VMYPYLRDGVJMSS-NEPJUHHUSA-N 1 3 241.379 0.994 20 0 BCADHO CC1(CNC[C@@H](O)C[NH+]2CCCC2)COC1 ZINC000087197494 535151799 /nfs/dbraw/zinc/15/17/99/535151799.db2.gz PLYWJOZUYRLRPF-LLVKDONJSA-N 1 3 228.336 0.069 20 0 BCADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415507 535153997 /nfs/dbraw/zinc/15/39/97/535153997.db2.gz VNIVRVVQKYSUAU-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(N)=O ZINC000300415507 535154010 /nfs/dbraw/zinc/15/40/10/535154010.db2.gz VNIVRVVQKYSUAU-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262674831 535196215 /nfs/dbraw/zinc/19/62/15/535196215.db2.gz RDVMESVNNBLHAG-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000084216101 535406597 /nfs/dbraw/zinc/40/65/97/535406597.db2.gz HNTZFDZMTXUWRW-HBNTYKKESA-N 1 3 227.352 0.618 20 0 BCADHO CC[NH2+]CC1CCN(CCn2cncn2)CC1 ZINC000261565079 535457775 /nfs/dbraw/zinc/45/77/75/535457775.db2.gz YERBEWQGXZVTHO-UHFFFAOYSA-N 1 3 237.351 0.600 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000262049708 535523446 /nfs/dbraw/zinc/52/34/46/535523446.db2.gz QDJDQJVXEGKKPI-CMPLNLGQSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261550226 535529113 /nfs/dbraw/zinc/52/91/13/535529113.db2.gz PKRRFVQVBMIXLM-GXSJLCMTSA-N 1 3 213.325 0.372 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335957374 535534953 /nfs/dbraw/zinc/53/49/53/535534953.db2.gz BVEKVPGOWGMCNT-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335957374 535534957 /nfs/dbraw/zinc/53/49/57/535534957.db2.gz BVEKVPGOWGMCNT-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000250395337 535565145 /nfs/dbraw/zinc/56/51/45/535565145.db2.gz YNAYMAZDMGLJSQ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)CNCCOC ZINC000092509843 535573629 /nfs/dbraw/zinc/57/36/29/535573629.db2.gz UVLDGUNACRJIBV-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(N)=O ZINC000080565275 535595167 /nfs/dbraw/zinc/59/51/67/535595167.db2.gz MUIVOPMODRBKAN-NSHDSACASA-N 1 3 242.367 0.413 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(N)=O ZINC000080565275 535595165 /nfs/dbraw/zinc/59/51/65/535595165.db2.gz MUIVOPMODRBKAN-NSHDSACASA-N 1 3 242.367 0.413 20 0 BCADHO C[NH+](C)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000342664160 535887088 /nfs/dbraw/zinc/88/70/88/535887088.db2.gz OXWSKMJKXFICEN-JTQLQIEISA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342606391 535953043 /nfs/dbraw/zinc/95/30/43/535953043.db2.gz LOWUMPTZVVQZEC-GVXVVHGQSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000237041954 535954132 /nfs/dbraw/zinc/95/41/32/535954132.db2.gz KQJBUGZYMYKUAD-UTLUCORTSA-N 1 3 215.341 0.332 20 0 BCADHO CN(C)C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250344394 535954427 /nfs/dbraw/zinc/95/44/27/535954427.db2.gz FHYHZIZHPBDJHO-RWMBFGLXSA-N 1 3 241.379 0.125 20 0 BCADHO CN(C)C[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250344394 535954432 /nfs/dbraw/zinc/95/44/32/535954432.db2.gz FHYHZIZHPBDJHO-RWMBFGLXSA-N 1 3 241.379 0.125 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251102220 535994617 /nfs/dbraw/zinc/99/46/17/535994617.db2.gz RNIOBQQSIHGYID-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251102220 535994619 /nfs/dbraw/zinc/99/46/19/535994619.db2.gz RNIOBQQSIHGYID-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335344709 536042085 /nfs/dbraw/zinc/04/20/85/536042085.db2.gz KIKBPWVPMIYXOV-GFCCVEGCSA-N 1 3 247.342 0.921 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000334921140 536372406 /nfs/dbraw/zinc/37/24/06/536372406.db2.gz CPWZPUGBSKHNME-WDEREUQCSA-N 1 3 240.351 0.213 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000167532379 536376653 /nfs/dbraw/zinc/37/66/53/536376653.db2.gz AOQZKPSHHJVBRD-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000167532379 536376656 /nfs/dbraw/zinc/37/66/56/536376656.db2.gz AOQZKPSHHJVBRD-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261541551 536391532 /nfs/dbraw/zinc/39/15/32/536391532.db2.gz BHQAISVPGMWZLQ-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO COC(=O)N(C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000854225875 588780672 /nfs/dbraw/zinc/78/06/72/588780672.db2.gz BBGYQUQPWIOEOD-MNOVXSKESA-N 1 3 243.351 0.662 20 0 BCADHO C[NH+](C)C[C@](C)(O)CNc1ccnc(CO)c1 ZINC000858456342 582461113 /nfs/dbraw/zinc/46/11/13/582461113.db2.gz GBXNRGHGZNEUNJ-GFCCVEGCSA-N 1 3 239.319 0.298 20 0 BCADHO CN(C[C@H]1CNCCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125497821 582825205 /nfs/dbraw/zinc/82/52/05/582825205.db2.gz QRRVDIPLRQEWPH-CHWSQXEVSA-N 1 3 239.363 0.143 20 0 BCADHO CN(C[C@H]1CNCCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125497821 582825206 /nfs/dbraw/zinc/82/52/06/582825206.db2.gz QRRVDIPLRQEWPH-CHWSQXEVSA-N 1 3 239.363 0.143 20 0 BCADHO CNC(=[NH2+])NCCCN1CCCO[C@H](C)C1 ZINC000849022465 582829182 /nfs/dbraw/zinc/82/91/82/582829182.db2.gz BRCMLOSDJCEZBN-SNVBAGLBSA-N 1 3 228.340 0.231 20 0 BCADHO CN(C)CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892465247 582892983 /nfs/dbraw/zinc/89/29/83/582892983.db2.gz OBSMEKUMSOHEHZ-UHFFFAOYSA-N 1 3 240.351 0.213 20 0 BCADHO CON(C)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000850480344 582920168 /nfs/dbraw/zinc/92/01/68/582920168.db2.gz PYMNEKQLUSIJCZ-UHFFFAOYSA-N 1 3 241.379 0.944 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)COCCOC)C1 ZINC000892612920 582929481 /nfs/dbraw/zinc/92/94/81/582929481.db2.gz GJWCHJKJCYGLPW-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@H](C)COCCOC)C1 ZINC000892612920 582929482 /nfs/dbraw/zinc/92/94/82/582929482.db2.gz GJWCHJKJCYGLPW-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@H](C)COCCOC)C1 ZINC000892612920 582929483 /nfs/dbraw/zinc/92/94/83/582929483.db2.gz GJWCHJKJCYGLPW-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CN(C)CC(C)(C)NC(=O)NCCC(C)(C)[NH3+] ZINC000892850047 582995941 /nfs/dbraw/zinc/99/59/41/582995941.db2.gz IFGIGKZLZZEKPH-UHFFFAOYSA-N 1 3 244.383 0.753 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000394608491 582996975 /nfs/dbraw/zinc/99/69/75/582996975.db2.gz RBRVVGJTQAATFE-JHJVBQTASA-N 1 3 242.363 0.600 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000394608491 582996976 /nfs/dbraw/zinc/99/69/76/582996976.db2.gz RBRVVGJTQAATFE-JHJVBQTASA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000857106864 588888292 /nfs/dbraw/zinc/88/82/92/588888292.db2.gz CLUKLRZCRAIABQ-LPEHRKFASA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NC(C)(C)CN(C)C ZINC000857106895 588888324 /nfs/dbraw/zinc/88/83/24/588888324.db2.gz DHEGRBLEHCWKNB-VIFPVBQESA-N 1 3 230.356 0.363 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877243000 583304847 /nfs/dbraw/zinc/30/48/47/583304847.db2.gz KHTREEAJRYFYES-UKKRHICBSA-N 1 3 225.336 0.228 20 0 BCADHO C[NH+](C)C1(CNc2ccncc2CO)CC1 ZINC000894231241 583384312 /nfs/dbraw/zinc/38/43/12/583384312.db2.gz LEBFFZFHBQNBST-UHFFFAOYSA-N 1 3 221.304 0.502 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)C[C@@]1(C)C[NH3+] ZINC000841858116 583442814 /nfs/dbraw/zinc/44/28/14/583442814.db2.gz ZFWPGQXHAKPVMY-JLLWLGSASA-N 1 3 243.326 0.131 20 0 BCADHO C[C@@H]1CC(=O)NCCN1CC1CC[NH+](C)CC1 ZINC000894491307 583472668 /nfs/dbraw/zinc/47/26/68/583472668.db2.gz FOLCDRXOVULSBH-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1CC(=O)NCCN1CC1CC[NH+](C)CC1 ZINC000894491308 583473132 /nfs/dbraw/zinc/47/31/32/583473132.db2.gz FOLCDRXOVULSBH-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)C1CN(CC2CC[NH+](C)CC2)C1 ZINC000894837061 583529197 /nfs/dbraw/zinc/52/91/97/583529197.db2.gz TUEGDYDORLJTHI-UHFFFAOYSA-N 1 3 225.336 0.006 20 0 BCADHO C[NH+]1CCC(CN2CC(C)(CO)C2)CC1 ZINC000894841844 583530760 /nfs/dbraw/zinc/53/07/60/583530760.db2.gz ZCNLWWXBUGQUIJ-UHFFFAOYSA-N 1 3 212.337 0.642 20 0 BCADHO CCO[C@H](CNC[C@H](OC)C1CC1)C[NH+](C)C ZINC000896876249 583844097 /nfs/dbraw/zinc/84/40/97/583844097.db2.gz CNHJURCBZOHIMO-OLZOCXBDSA-N 1 3 244.379 0.968 20 0 BCADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN1C ZINC000897845447 584053861 /nfs/dbraw/zinc/05/38/61/584053861.db2.gz QJQISWSHBAUOTO-SDDRHHMPSA-N 1 3 239.363 0.632 20 0 BCADHO C[C@H](N)c1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742469 584234358 /nfs/dbraw/zinc/23/43/58/584234358.db2.gz XXJJYLBJHXLDMX-VHSXEESVSA-N 1 3 223.324 0.688 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899919608 584252330 /nfs/dbraw/zinc/25/23/30/584252330.db2.gz CGDFWKGFEPVINY-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000899919608 584252332 /nfs/dbraw/zinc/25/23/32/584252332.db2.gz CGDFWKGFEPVINY-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000900831620 584355121 /nfs/dbraw/zinc/35/51/21/584355121.db2.gz KCEDLNMJVPFPHL-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000900831620 584355124 /nfs/dbraw/zinc/35/51/24/584355124.db2.gz KCEDLNMJVPFPHL-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO CN(CCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC000901327842 584423826 /nfs/dbraw/zinc/42/38/26/584423826.db2.gz WEJLQFXGCFMJJM-UHFFFAOYSA-N 1 3 224.308 0.362 20 0 BCADHO CN(CCC[NH+](C)C)C(=O)CN(C)C1CCC1 ZINC000901326429 584430256 /nfs/dbraw/zinc/43/02/56/584430256.db2.gz HLKLUIFUZVMRBK-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902358317 584570778 /nfs/dbraw/zinc/57/07/78/584570778.db2.gz AHSCDBISGURVDX-RYUDHWBXSA-N 1 3 244.379 0.752 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@]2(O)CCOC2)C1 ZINC000902360587 584571485 /nfs/dbraw/zinc/57/14/85/584571485.db2.gz HIJGMZLUNRFROA-DGCLKSJQSA-N 1 3 242.363 0.506 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000902360587 584571486 /nfs/dbraw/zinc/57/14/86/584571486.db2.gz HIJGMZLUNRFROA-DGCLKSJQSA-N 1 3 242.363 0.506 20 0 BCADHO COC[C@H](NCC1([NH3+])CC1)C1CCOCC1 ZINC000902406079 584574163 /nfs/dbraw/zinc/57/41/63/584574163.db2.gz KXMJEOSVGSLEBB-NSHDSACASA-N 1 3 228.336 0.509 20 0 BCADHO COC[C@@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383197 584576890 /nfs/dbraw/zinc/57/68/90/584576890.db2.gz CZCZNKOSSVGNSW-QWRGUYRKSA-N 1 3 230.352 0.362 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000902397615 584585190 /nfs/dbraw/zinc/58/51/90/584585190.db2.gz NFVWQKDXLDLNNF-DCAQKATOSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000902397615 584585192 /nfs/dbraw/zinc/58/51/92/584585192.db2.gz NFVWQKDXLDLNNF-DCAQKATOSA-N 1 3 239.363 0.618 20 0 BCADHO NOCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902415415 584589617 /nfs/dbraw/zinc/58/96/17/584589617.db2.gz NOTVPLWVLDQECF-QJPTWQEYSA-N 1 3 227.352 0.777 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCON ZINC000902417692 584591305 /nfs/dbraw/zinc/59/13/05/584591305.db2.gz YQTHWKMJIDGLTP-ZJUUUORDSA-N 1 3 201.314 0.245 20 0 BCADHO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC000902441584 584597994 /nfs/dbraw/zinc/59/79/94/584597994.db2.gz FEPYIVSFPCNKOL-MXWKQRLJSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474654 584602263 /nfs/dbraw/zinc/60/22/63/584602263.db2.gz HGLIZGVUWGEIHH-SZZQBSIJSA-N 1 3 235.375 0.952 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474655 584602356 /nfs/dbraw/zinc/60/23/56/584602356.db2.gz HGLIZGVUWGEIHH-TZNMXHEESA-N 1 3 235.375 0.952 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449938 584606200 /nfs/dbraw/zinc/60/62/00/584606200.db2.gz AMQCIIXRNTWFRX-MNDZJOLHSA-N 1 3 210.321 0.878 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451322 584606847 /nfs/dbraw/zinc/60/68/47/584606847.db2.gz WKKZGSJDROUPKC-OUAUKWLOSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@H](NCCN1CCC(C)(C)C1)C1C[NH2+]C1 ZINC000902455106 584609508 /nfs/dbraw/zinc/60/95/08/584609508.db2.gz IVBLSBYTFKBULT-NSHDSACASA-N 1 3 225.380 0.916 20 0 BCADHO C[C@H](CN[C@@H]1CCO[C@]12CCOC2)C[NH+](C)C ZINC000903174919 584732822 /nfs/dbraw/zinc/73/28/22/584732822.db2.gz PCQOAVXWYSIPCX-UPJWGTAASA-N 1 3 242.363 0.722 20 0 BCADHO CN(CC(=O)NC(C)(C)C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903425980 584761271 /nfs/dbraw/zinc/76/12/71/584761271.db2.gz DHTMBSJLNANQIV-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903458464 584765480 /nfs/dbraw/zinc/76/54/80/584765480.db2.gz AMPDZNZLJBVROR-WOPDTQHZSA-N 1 3 222.336 0.717 20 0 BCADHO c1cncc([C@@H]2CNCCN2C[C@H]2CCC[NH2+]2)c1 ZINC000903449453 584771142 /nfs/dbraw/zinc/77/11/42/584771142.db2.gz BFQQLXUMKZNOQV-KGLIPLIRSA-N 1 3 246.358 0.780 20 0 BCADHO CON1CC[C@@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000903450316 584772052 /nfs/dbraw/zinc/77/20/52/584772052.db2.gz UDKYMXYGYXTGSF-GHMZBOCLSA-N 1 3 241.335 0.210 20 0 BCADHO COC[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903456685 584774239 /nfs/dbraw/zinc/77/42/39/584774239.db2.gz IXWFPKSULUJNRC-FVCCEPFGSA-N 1 3 242.363 0.850 20 0 BCADHO C([NH2+][C@@H]1CCNC12CCC2)[C@@H]1CCOC1 ZINC000903470467 584774898 /nfs/dbraw/zinc/77/48/98/584774898.db2.gz LXJAGZSSPSFRTB-WDEREUQCSA-N 1 3 210.321 0.897 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](O)CC(C)(C)C1 ZINC000903475768 584776650 /nfs/dbraw/zinc/77/66/50/584776650.db2.gz CJYXQSDKJQRUSK-WOPDTQHZSA-N 1 3 226.364 0.935 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@@H](C[NH3+])C1 ZINC000903716193 584794408 /nfs/dbraw/zinc/79/44/08/584794408.db2.gz IUEMKZHMRCDOGL-GARJFASQSA-N 1 3 226.320 0.466 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903763214 584797201 /nfs/dbraw/zinc/79/72/01/584797201.db2.gz INCXSWXBEPAWSJ-YYHQMBLXSA-N 1 3 240.347 0.650 20 0 BCADHO N[C@@H]1CN(C[C@H]2CCCC[NH2+]C2)CC[C@H]1F ZINC000903765459 584797292 /nfs/dbraw/zinc/79/72/92/584797292.db2.gz HMXQWHAVCAVIGJ-QJPTWQEYSA-N 1 3 229.343 0.747 20 0 BCADHO CNCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827862 584805154 /nfs/dbraw/zinc/80/51/54/584805154.db2.gz YYFKCFLAWSGGSS-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO CNCCC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000903827862 584805156 /nfs/dbraw/zinc/80/51/56/584805156.db2.gz YYFKCFLAWSGGSS-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO CCN(CCC(=O)NC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903827779 584805164 /nfs/dbraw/zinc/80/51/64/584805164.db2.gz WXEWCTZHKPFHII-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO O=C1CCN(C[C@H]2CC[NH2+]C2)CCCCCN1 ZINC000903830350 584805306 /nfs/dbraw/zinc/80/53/06/584805306.db2.gz ZQIRDUYWPMYLIE-LBPRGKRZSA-N 1 3 239.363 0.588 20 0 BCADHO N[C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000903831159 584805454 /nfs/dbraw/zinc/80/54/54/584805454.db2.gz FZMAEZCREZXNCC-OSUNSFLBSA-N 1 3 210.321 0.569 20 0 BCADHO N[C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000903831159 584805455 /nfs/dbraw/zinc/80/54/55/584805455.db2.gz FZMAEZCREZXNCC-OSUNSFLBSA-N 1 3 210.321 0.569 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCOCC[C@@H]1C ZINC000903830930 584805838 /nfs/dbraw/zinc/80/58/38/584805838.db2.gz BNMZIZGWFURZPT-WOPDTQHZSA-N 1 3 212.337 0.953 20 0 BCADHO O[C@@H]1CCN(CC[C@H]2CC[NH2+]C2)C[C@H]1F ZINC000903839225 584806948 /nfs/dbraw/zinc/80/69/48/584806948.db2.gz JCXZKJIBYOWDCH-GMTAPVOTSA-N 1 3 216.300 0.391 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CC[C@@H](O)[C@@H](F)C2)C1 ZINC000903838838 584807173 /nfs/dbraw/zinc/80/71/73/584807173.db2.gz FXDAFMNPMABEOO-ZRUFSTJUSA-N 1 3 216.300 0.519 20 0 BCADHO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1C[C@H](N)C[C@@H]1O ZINC000903850048 584807881 /nfs/dbraw/zinc/80/78/81/584807881.db2.gz JGLOSIGGSJWCKY-LVEVGFFFSA-N 1 3 210.321 0.781 20 0 BCADHO C[C@@H]1[C@@H](C)N(C[C@H]([NH3+])CC(F)F)CCN1C ZINC000903915015 584818812 /nfs/dbraw/zinc/81/88/12/584818812.db2.gz XDLOHIZMAFBCKW-OPRDCNLKSA-N 1 3 235.322 0.993 20 0 BCADHO C[C@@H]1[C@H](C)N(C[C@@H]([NH3+])CC(F)F)CCN1C ZINC000903915016 584818857 /nfs/dbraw/zinc/81/88/57/584818857.db2.gz XDLOHIZMAFBCKW-UTLUCORTSA-N 1 3 235.322 0.993 20 0 BCADHO C[C@@H]1[C@H](C)N(C[C@H]([NH3+])CC(F)F)CCN1C ZINC000903915014 584819034 /nfs/dbraw/zinc/81/90/34/584819034.db2.gz XDLOHIZMAFBCKW-KXUCPTDWSA-N 1 3 235.322 0.993 20 0 BCADHO [NH3+][C@H](CNC[C@@H]1C[C@H](F)CN1)CC(F)F ZINC000903920304 584823056 /nfs/dbraw/zinc/82/30/56/584823056.db2.gz SHUPLJWHKNKAME-FXQIFTODSA-N 1 3 225.258 0.259 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@H]([NH3+])CC(F)F ZINC000903923577 584823668 /nfs/dbraw/zinc/82/36/68/584823668.db2.gz XQLKIFGBAUEYQR-DTWKUNHWSA-N 1 3 232.278 0.844 20 0 BCADHO OCC1(NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000903922440 584823894 /nfs/dbraw/zinc/82/38/94/584823894.db2.gz XLMWTIZWVYJMTP-UHFFFAOYSA-N 1 3 232.327 0.947 20 0 BCADHO [NH3+][C@H](CC(F)F)CN1CCNC[C@@H]1C(F)F ZINC000903916998 584827324 /nfs/dbraw/zinc/82/73/24/584827324.db2.gz JGSBYKRFTPUURN-RNFRBKRXSA-N 1 3 243.248 0.508 20 0 BCADHO [NH3+][C@@H](CC(F)F)CN1CCNC[C@@H]1C(F)F ZINC000903916997 584827138 /nfs/dbraw/zinc/82/71/38/584827138.db2.gz JGSBYKRFTPUURN-NKWVEPMBSA-N 1 3 243.248 0.508 20 0 BCADHO C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903961673 584829012 /nfs/dbraw/zinc/82/90/12/584829012.db2.gz FAIXBCIIUURFQJ-NSHDSACASA-N 1 3 245.342 0.475 20 0 BCADHO C[N@@H+](CCCF)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000903961673 584829014 /nfs/dbraw/zinc/82/90/14/584829014.db2.gz FAIXBCIIUURFQJ-NSHDSACASA-N 1 3 245.342 0.475 20 0 BCADHO CCOC[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968449 584835221 /nfs/dbraw/zinc/83/52/21/584835221.db2.gz WOEXNCXVASPHIF-MXWKQRLJSA-N 1 3 200.326 0.857 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCC[C@H]2C(=O)NC2CC2)C1 ZINC000904309282 584862579 /nfs/dbraw/zinc/86/25/79/584862579.db2.gz GKPRPEADCRDFOI-UMNHJUIQSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCN(c3cnccn3)CC2)C1 ZINC000904310281 584862779 /nfs/dbraw/zinc/86/27/79/584862779.db2.gz YWVYXBYOGDWPHU-TXEJJXNPSA-N 1 3 247.346 0.336 20 0 BCADHO CCN(CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307421 584863056 /nfs/dbraw/zinc/86/30/56/584863056.db2.gz ACQWHMQZWHZZQI-AOOOYVTPSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C(N)=O)C1 ZINC000904340151 584866653 /nfs/dbraw/zinc/86/66/53/584866653.db2.gz FEEBGGWRLBBDJH-CHWFTXMASA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C(N)=O)C1 ZINC000904340154 584866872 /nfs/dbraw/zinc/86/68/72/584866872.db2.gz FEEBGGWRLBBDJH-ZNSHCXBVSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H](C(=O)NC(C)(C)C)N(C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346094 584868583 /nfs/dbraw/zinc/86/85/83/584868583.db2.gz QQGABUXYYPURLW-MXWKQRLJSA-N 1 3 241.379 0.959 20 0 BCADHO COCCC[N@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904346414 584868685 /nfs/dbraw/zinc/86/86/85/584868685.db2.gz UCLSQJKBRXWSHT-ZDUSSCGKSA-N 1 3 244.379 0.707 20 0 BCADHO COCCC[N@@H+](CCO)C[C@@]1(C)CCCNC1 ZINC000904346414 584868686 /nfs/dbraw/zinc/86/86/86/584868686.db2.gz UCLSQJKBRXWSHT-ZDUSSCGKSA-N 1 3 244.379 0.707 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CC[C@@](F)(CO)C2)C1 ZINC000904350391 584869073 /nfs/dbraw/zinc/86/90/73/584869073.db2.gz KIFIZQZKOMCTSB-AEJSXWLSSA-N 1 3 202.273 0.130 20 0 BCADHO Nc1ccc(CN2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000904350649 584869157 /nfs/dbraw/zinc/86/91/57/584869157.db2.gz ODJMZJPNNVFCLN-UHFFFAOYSA-N 1 3 247.346 0.634 20 0 BCADHO CN(C)C(=O)CCNC[C@@]1(C)CCC[NH2+]C1 ZINC000904359891 584871726 /nfs/dbraw/zinc/87/17/26/584871726.db2.gz GMSCBUXRRDDAHI-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO CN(C)C(=O)CC[NH2+]C[C@@]1(C)CCCNC1 ZINC000904359891 584871728 /nfs/dbraw/zinc/87/17/28/584871728.db2.gz GMSCBUXRRDDAHI-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO Cc1nn(C)c(C)c1CNC1CC(C[NH3+])C1 ZINC000904361063 584872127 /nfs/dbraw/zinc/87/21/27/584872127.db2.gz UIEAOINEBKWQIB-UHFFFAOYSA-N 1 3 222.336 0.864 20 0 BCADHO C[C@@]1(CN2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]C1 ZINC000904378837 584876774 /nfs/dbraw/zinc/87/67/74/584876774.db2.gz LZCVHYMIENTXMZ-IJLUTSLNSA-N 1 3 229.343 0.747 20 0 BCADHO Cc1nc([C@@H]2CCN(C[C@H]3C[C@@H]([NH3+])C3)C2)no1 ZINC000904388152 584877901 /nfs/dbraw/zinc/87/79/01/584877901.db2.gz FDKJXBKSYLOKNP-MXWKQRLJSA-N 1 3 236.319 0.905 20 0 BCADHO Nc1ccc(CN2CC[C@@H](CC[NH3+])C2)nn1 ZINC000904406249 584878700 /nfs/dbraw/zinc/87/87/00/584878700.db2.gz CZUTYGITZNQJOQ-SECBINFHSA-N 1 3 221.308 0.230 20 0 BCADHO C[C@H]1CN(Cc2ccc(N)nn2)CC[C@@H]1C[NH3+] ZINC000904409588 584878815 /nfs/dbraw/zinc/87/88/15/584878815.db2.gz CWTRJHVOHLVTIE-VHSXEESVSA-N 1 3 235.335 0.476 20 0 BCADHO C[C@@H]1CN(Cc2cnc(N)cn2)CC[C@@H]1C[NH3+] ZINC000904409841 584879361 /nfs/dbraw/zinc/87/93/61/584879361.db2.gz JSIHHBJGDZLGKL-NXEZZACHSA-N 1 3 235.335 0.476 20 0 BCADHO CC[C@]1(C(=O)NC[C@H](C)N(C)C)CCC[NH2+]1 ZINC000215297089 584953436 /nfs/dbraw/zinc/95/34/36/584953436.db2.gz MWEUWSNVIVAGAM-CMPLNLGQSA-N 1 3 227.352 0.585 20 0 BCADHO COCCN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000777401930 585710686 /nfs/dbraw/zinc/71/06/86/585710686.db2.gz UKMMIUIDYGCQCN-UHFFFAOYSA-N 1 3 241.379 0.345 20 0 BCADHO CN(CCF)CCC[NH+]1CCN(C)CC1 ZINC000778951463 585742741 /nfs/dbraw/zinc/74/27/41/585742741.db2.gz RWLBUIBMJWFWGG-UHFFFAOYSA-N 1 3 217.332 0.525 20 0 BCADHO CCN1CCN(CCC[NH2+][C@H](C)CCO)CC1 ZINC000779385484 585753016 /nfs/dbraw/zinc/75/30/16/585753016.db2.gz FIWJJYTYAAUDKE-CYBMUJFWSA-N 1 3 243.395 0.375 20 0 BCADHO C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@H]1N ZINC000817914337 586831536 /nfs/dbraw/zinc/83/15/36/586831536.db2.gz VHZMJPJHHPUHOQ-UTUOFQBUSA-N 1 3 211.353 0.940 20 0 BCADHO CN1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2N)C1 ZINC000817888523 586831798 /nfs/dbraw/zinc/83/17/98/586831798.db2.gz HGLLXMXHQMHZAD-TUAOUCFPSA-N 1 3 211.353 0.940 20 0 BCADHO CN1CC[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000817888523 586831799 /nfs/dbraw/zinc/83/17/99/586831799.db2.gz HGLLXMXHQMHZAD-TUAOUCFPSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@@H](N[C@H]1CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000817890759 586833212 /nfs/dbraw/zinc/83/32/12/586833212.db2.gz YMMVWWHRWSOOEM-WOPDTQHZSA-N 1 3 211.353 0.811 20 0 BCADHO COC(=O)N1CCC[C@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000817903164 586836317 /nfs/dbraw/zinc/83/63/17/586836317.db2.gz JAQBJOKPDBHZAN-AXFHLTTASA-N 1 3 243.351 0.933 20 0 BCADHO COC(=O)N1CCC[C@H]([NH2+][C@H](C)C[C@H](C)N)C1 ZINC000817903164 586836318 /nfs/dbraw/zinc/83/63/18/586836318.db2.gz JAQBJOKPDBHZAN-AXFHLTTASA-N 1 3 243.351 0.933 20 0 BCADHO CCNCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000818527313 586897991 /nfs/dbraw/zinc/89/79/91/586897991.db2.gz YHUKXZIQOOXLIS-SNVBAGLBSA-N 1 3 235.331 0.932 20 0 BCADHO CC[NH2+]CC(=O)NCc1ccc2c(c1)CNC2 ZINC000818578161 586902743 /nfs/dbraw/zinc/90/27/43/586902743.db2.gz QAMMOIPIVPAWHT-UHFFFAOYSA-N 1 3 233.315 0.516 20 0 BCADHO CC[NH+]1CCC(NCCC(=O)N(C)OC)CC1 ZINC000818941029 586916910 /nfs/dbraw/zinc/91/69/10/586916910.db2.gz OJWXXZOWKQSZRP-UHFFFAOYSA-N 1 3 243.351 0.470 20 0 BCADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC000823160768 587206208 /nfs/dbraw/zinc/20/62/08/587206208.db2.gz JLLYKACJLBPUKN-VXGBXAGGSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC000823160767 587206219 /nfs/dbraw/zinc/20/62/19/587206219.db2.gz JLLYKACJLBPUKN-RYUDHWBXSA-N 1 3 239.363 0.633 20 0 BCADHO [NH3+][C@@H](CC(=O)NCCNc1ccncc1)C1CC1 ZINC000827433691 587381342 /nfs/dbraw/zinc/38/13/42/587381342.db2.gz KKYZNGFELBNZLT-LBPRGKRZSA-N 1 3 248.330 0.159 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000828256537 587428539 /nfs/dbraw/zinc/42/85/39/587428539.db2.gz DNYRBGQOLWSWPF-LLVKDONJSA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000828256537 587428540 /nfs/dbraw/zinc/42/85/40/587428540.db2.gz DNYRBGQOLWSWPF-LLVKDONJSA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@@]1(F)CCNC1 ZINC000830171727 587540106 /nfs/dbraw/zinc/54/01/06/587540106.db2.gz VKOCWGZBEGZLAW-LLVKDONJSA-N 1 3 231.315 0.192 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCCCC[NH3+] ZINC000831540222 587617614 /nfs/dbraw/zinc/61/76/14/587617614.db2.gz MHLIWCYDEFUQIY-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)N1CCCC1 ZINC000831822333 587633358 /nfs/dbraw/zinc/63/33/58/587633358.db2.gz FAVOMQNZJMNXSA-JQWIXIFHSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831971464 587640306 /nfs/dbraw/zinc/64/03/06/587640306.db2.gz XXJNZRAGARWUHD-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000831970620 587640459 /nfs/dbraw/zinc/64/04/59/587640459.db2.gz JUKMDHLZUBUPPY-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000831971258 587640471 /nfs/dbraw/zinc/64/04/71/587640471.db2.gz UNMYJNKQLHVCDK-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000831970319 587640568 /nfs/dbraw/zinc/64/05/68/587640568.db2.gz CHQHUCVAGAHJDB-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831970624 587640673 /nfs/dbraw/zinc/64/06/73/587640673.db2.gz JUXRMFXUJVDMTC-CMPLNLGQSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCC[C@@H]1C ZINC000831971476 587640731 /nfs/dbraw/zinc/64/07/31/587640731.db2.gz YLIAGCPZPZNXIH-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831971147 587640934 /nfs/dbraw/zinc/64/09/34/587640934.db2.gz STNYKUBLYKDOPP-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831971147 587640936 /nfs/dbraw/zinc/64/09/36/587640936.db2.gz STNYKUBLYKDOPP-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831970625 587640944 /nfs/dbraw/zinc/64/09/44/587640944.db2.gz JUXRMFXUJVDMTC-JQWIXIFHSA-N 1 3 243.326 0.289 20 0 BCADHO NCc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000832316201 587654143 /nfs/dbraw/zinc/65/41/43/587654143.db2.gz IRXRHRGPGADKPB-UHFFFAOYSA-N 1 3 247.342 0.956 20 0 BCADHO C[NH2+]CCCNC(=O)c1cccc(CN)c1 ZINC000832373338 587656613 /nfs/dbraw/zinc/65/66/13/587656613.db2.gz PKYKKGSSVIJLRH-UHFFFAOYSA-N 1 3 221.304 0.485 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000832458422 587661098 /nfs/dbraw/zinc/66/10/98/587661098.db2.gz GTRTWGXZZOPTHC-ZJUUUORDSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)c1cccc(CN)c1 ZINC000832726383 587679832 /nfs/dbraw/zinc/67/98/32/587679832.db2.gz SCVJQCSGEGILJL-VIFPVBQESA-N 1 3 221.304 0.565 20 0 BCADHO C[C@H]1CN(C(=O)c2cccc(CN)c2)CC[C@@H]1[NH3+] ZINC000832737512 587681547 /nfs/dbraw/zinc/68/15/47/587681547.db2.gz XEPDNFDIZNGGQR-GWCFXTLKSA-N 1 3 247.342 0.955 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN)c1 ZINC000832829364 587692736 /nfs/dbraw/zinc/69/27/36/587692736.db2.gz SHRQFXBEGQWETG-CYBMUJFWSA-N 1 3 247.342 0.969 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](C)NC2CC2)CC[C@@H]1[NH3+] ZINC000834646938 587762547 /nfs/dbraw/zinc/76/25/47/587762547.db2.gz KMNBLVFSSJOJBS-UMNHJUIQSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC[C@@H]1[NH3+] ZINC000834648275 587762579 /nfs/dbraw/zinc/76/25/79/587762579.db2.gz ULAXIFZCGYKCTG-JFGNBEQYSA-N 1 3 243.326 0.274 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN)c1 ZINC000834642172 587762659 /nfs/dbraw/zinc/76/26/59/587762659.db2.gz PXEXUGKHAHVKCF-MFKMUULPSA-N 1 3 247.342 0.873 20 0 BCADHO NCc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000834870707 587769197 /nfs/dbraw/zinc/76/91/97/587769197.db2.gz XMGKDYVQGRPXHI-OLZOCXBDSA-N 1 3 245.326 0.579 20 0 BCADHO C[C@@H](CNC(=O)NCCC[NH3+])N1CCCCC1 ZINC000841725595 587973348 /nfs/dbraw/zinc/97/33/48/587973348.db2.gz NRJZQKGSBLVMHW-NSHDSACASA-N 1 3 242.367 0.509 20 0 BCADHO C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)[C@@H](C)CN1 ZINC000841849489 587977572 /nfs/dbraw/zinc/97/75/72/587977572.db2.gz XRKUYZDERRQJEM-MNOVXSKESA-N 1 3 247.342 0.968 20 0 BCADHO C[C@H]1NCCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000841850243 587977747 /nfs/dbraw/zinc/97/77/47/587977747.db2.gz GGZQTZVBUQHMRD-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@]1(CNC(=O)[C@@]2(F)CCNC2)CCC[NH2+]C1 ZINC000841849978 587977847 /nfs/dbraw/zinc/97/78/47/587977847.db2.gz RYIJUJSCEGDCHE-NWDGAFQWSA-N 1 3 243.326 0.194 20 0 BCADHO CC1(C)CNCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000841848897 587977933 /nfs/dbraw/zinc/97/79/33/587977933.db2.gz IXNZNCFXTFASDQ-UHFFFAOYSA-N 1 3 247.342 0.969 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@@H]([NH3+])C2CC2)[C@H]1C ZINC000841850317 587977936 /nfs/dbraw/zinc/97/79/36/587977936.db2.gz KUJSYIGFPAEQIV-ATZCPNFKSA-N 1 3 225.336 0.323 20 0 BCADHO CCNCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843452736 588111410 /nfs/dbraw/zinc/11/14/10/588111410.db2.gz XIXPCWZGBOQKKD-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCCCCCC[NH3+] ZINC000843511441 588115839 /nfs/dbraw/zinc/11/58/39/588115839.db2.gz DXIIULAOMROIDL-JTQLQIEISA-N 1 3 227.352 0.620 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000843505806 588117277 /nfs/dbraw/zinc/11/72/77/588117277.db2.gz NOWSUKURYALKLC-QWRGUYRKSA-N 1 3 229.368 0.995 20 0 BCADHO [NH3+]CCCCCCNC(=O)C[C@H]1CNCCO1 ZINC000843505715 588117256 /nfs/dbraw/zinc/11/72/56/588117256.db2.gz KIQCCRIZIMRMAP-NSHDSACASA-N 1 3 243.351 0.000 20 0 BCADHO CCNCC(=O)NCCCCCC[NH3+] ZINC000843505856 588117365 /nfs/dbraw/zinc/11/73/65/588117365.db2.gz OPTQANYNFOAYIX-UHFFFAOYSA-N 1 3 201.314 0.231 20 0 BCADHO N[C@@H](C(=O)NCCCCCC[NH3+])C1CCC1 ZINC000843511145 588117540 /nfs/dbraw/zinc/11/75/40/588117540.db2.gz IOENFVHMBFKIHA-LLVKDONJSA-N 1 3 227.352 0.749 20 0 BCADHO CC[NH2+]CC(=O)NCCN1CCCC[C@@H]1C ZINC000844172519 588170404 /nfs/dbraw/zinc/17/04/04/588170404.db2.gz VAYWKUSLLYDSGY-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC[NH2+]CC(=O)NCc1cccc(CN(C)C)c1 ZINC000844168618 588171789 /nfs/dbraw/zinc/17/17/89/588171789.db2.gz LKVJSQMLRVISCH-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000844178335 588172102 /nfs/dbraw/zinc/17/21/02/588172102.db2.gz PKRIHSBXQPDOGP-CMPLNLGQSA-N 1 3 243.326 0.146 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000844178335 588172104 /nfs/dbraw/zinc/17/21/04/588172104.db2.gz PKRIHSBXQPDOGP-CMPLNLGQSA-N 1 3 243.326 0.146 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@]1(F)CCNC1 ZINC000846743495 588284476 /nfs/dbraw/zinc/28/44/76/588284476.db2.gz ZLUDOCYVFABDNP-YWVKMMECSA-N 1 3 229.299 0.026 20 0 BCADHO NC[C@H](NC(=O)CCCCC[NH3+])C(F)(F)F ZINC000848438541 588384968 /nfs/dbraw/zinc/38/49/68/588384968.db2.gz VDTRUGHDHDIVFT-ZETCQYMHSA-N 1 3 241.257 0.511 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000848461126 588386135 /nfs/dbraw/zinc/38/61/35/588386135.db2.gz VTCPJRRBUGPMHD-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722357 588408588 /nfs/dbraw/zinc/40/85/88/588408588.db2.gz SLGNIPOBDFQHAK-QXEWZRGKSA-N 1 3 241.335 0.685 20 0 BCADHO CC(C)[C@H](CNC1=[NH+]CCN1C)N1CCCC1 ZINC000848984174 588424774 /nfs/dbraw/zinc/42/47/74/588424774.db2.gz VXMRVHSNTPZCJB-LBPRGKRZSA-N 1 3 238.379 0.998 20 0 BCADHO CNC(=[NH2+])NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000848986953 588425707 /nfs/dbraw/zinc/42/57/07/588425707.db2.gz BPSRWALHOWPIGC-ZJUUUORDSA-N 1 3 212.341 0.851 20 0 BCADHO CCNC(=[NH2+])NC[C@H](C)CN1CCN(C)CC1 ZINC000848994474 588428357 /nfs/dbraw/zinc/42/83/57/588428357.db2.gz KUZFBHFMRNYCSB-NSHDSACASA-N 1 3 241.383 0.004 20 0 BCADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC1 ZINC000849000281 588430460 /nfs/dbraw/zinc/43/04/60/588430460.db2.gz OVUYXZNHPFQZQK-WDEREUQCSA-N 1 3 238.335 0.080 20 0 BCADHO CC[C@H](CO)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849017039 588437304 /nfs/dbraw/zinc/43/73/04/588437304.db2.gz YAKJIKXLXOKKQW-GHMZBOCLSA-N 1 3 242.367 0.356 20 0 BCADHO CCNC(=[NH2+])NCCCN1CCCO[C@@H](C)C1 ZINC000849022530 588439373 /nfs/dbraw/zinc/43/93/73/588439373.db2.gz GWRGCRMWTWYXKZ-NSHDSACASA-N 1 3 242.367 0.621 20 0 BCADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCCOC ZINC000849027649 588441470 /nfs/dbraw/zinc/44/14/70/588441470.db2.gz AKVAYICSMFBPOQ-NSHDSACASA-N 1 3 242.367 0.621 20 0 BCADHO C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)CN(C)C ZINC000849030821 588442755 /nfs/dbraw/zinc/44/27/55/588442755.db2.gz YEWQQFVSWBTXGE-MNOVXSKESA-N 1 3 242.367 0.429 20 0 BCADHO CCCN1CCC([NH2+]CCN(C)OC)CC1 ZINC000850479712 588550555 /nfs/dbraw/zinc/55/05/55/588550555.db2.gz BSQJQRZYXMPIRD-UHFFFAOYSA-N 1 3 229.368 0.944 20 0 BCADHO CN(CCC[NH+]1CCCC1)C[C@H]1CNC(=O)C1 ZINC000852008677 588654935 /nfs/dbraw/zinc/65/49/35/588654935.db2.gz WPKGCAVUBMEQGK-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@@H](O)[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000852562047 588690682 /nfs/dbraw/zinc/69/06/82/588690682.db2.gz ZQLPLMZCLFTMOY-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO CN(CCOC(F)F)CCN1CC[NH2+]CC1 ZINC000852743576 588698249 /nfs/dbraw/zinc/69/82/49/588698249.db2.gz FXJVWNHHPNWCGO-UHFFFAOYSA-N 1 3 237.294 0.063 20 0 BCADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CNCCO1 ZINC000852746410 588698938 /nfs/dbraw/zinc/69/89/38/588698938.db2.gz KYDFVSGESVQIGX-WVMKXHBISA-N 1 3 239.363 0.319 20 0 BCADHO O=C(C=C1CC[NH2+]CC1)N1CCCNCC1 ZINC000852790721 588702996 /nfs/dbraw/zinc/70/29/96/588702996.db2.gz SIUCSSRRFAKWBJ-UHFFFAOYSA-N 1 3 223.320 0.118 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H]1NCC12CCCC2 ZINC000852824995 588706056 /nfs/dbraw/zinc/70/60/56/588706056.db2.gz FUHHXCGNIRIYOJ-JTQLQIEISA-N 1 3 225.336 0.244 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@]1(F)CCNC1 ZINC000852867888 588709457 /nfs/dbraw/zinc/70/94/57/588709457.db2.gz GHAYEPYXBOTKCL-MWLCHTKSSA-N 1 3 231.315 0.178 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)NC1CC1 ZINC000852868713 588709668 /nfs/dbraw/zinc/70/96/68/588709668.db2.gz VJNAWBRSOHHNDC-MWLCHTKSSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000852874793 588710286 /nfs/dbraw/zinc/71/02/86/588710286.db2.gz POTMAVIDLGGILQ-QWRGUYRKSA-N 1 3 237.347 0.505 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000852879899 588710595 /nfs/dbraw/zinc/71/05/95/588710595.db2.gz XYKQQHZARHBMLH-QMMMGPOBSA-N 1 3 211.309 0.111 20 0 BCADHO N[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)CC[C@H]1F ZINC000852918834 588713272 /nfs/dbraw/zinc/71/32/72/588713272.db2.gz JYKCUVYKOHSKTP-GHMZBOCLSA-N 1 3 241.310 0.194 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN)c1 ZINC000852921410 588713376 /nfs/dbraw/zinc/71/33/76/588713376.db2.gz MIKLBDGMSXSUPE-SECBINFHSA-N 1 3 221.304 0.483 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000861564031 589168393 /nfs/dbraw/zinc/16/83/93/589168393.db2.gz HBNPJVGYQJOXGJ-NXEZZACHSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H]1CCCN1C ZINC000861565081 589168646 /nfs/dbraw/zinc/16/86/46/589168646.db2.gz FJWUICPETYPSJE-NXEZZACHSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000861574079 589168928 /nfs/dbraw/zinc/16/89/28/589168928.db2.gz OLWNGCGRCYNHKY-ZJUUUORDSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])N(C)C1CC1 ZINC000861574078 589168959 /nfs/dbraw/zinc/16/89/59/589168959.db2.gz OLWNGCGRCYNHKY-VHSXEESVSA-N 1 3 242.367 0.458 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861651528 589173217 /nfs/dbraw/zinc/17/32/17/589173217.db2.gz VHLOGMJWRAZWDT-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000863541886 589296904 /nfs/dbraw/zinc/29/69/04/589296904.db2.gz LVADZQQAZCLPHJ-KKZNHRDASA-N 1 3 226.320 0.964 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@@H](C)N)C1 ZINC000863541886 589296906 /nfs/dbraw/zinc/29/69/06/589296906.db2.gz LVADZQQAZCLPHJ-KKZNHRDASA-N 1 3 226.320 0.964 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)N(C)C ZINC000863585256 589302431 /nfs/dbraw/zinc/30/24/31/589302431.db2.gz SYQZKDDWJJLZHQ-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]([NH3+])CN(C)Cc1nc2c(s1)CNCC2 ZINC000863651182 589307081 /nfs/dbraw/zinc/30/70/81/589307081.db2.gz CKSSVQNYSNWOBY-MRVPVSSYSA-N 1 3 240.376 0.568 20 0 BCADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCNC(C)(C)C ZINC000864458575 589368511 /nfs/dbraw/zinc/36/85/11/589368511.db2.gz OBGPDBDRLNDOBH-BDAKNGLRSA-N 1 3 212.341 0.897 20 0 BCADHO [NH3+]C[C@H]1CCCN(C[C@H]2CCc3ncnn32)C1 ZINC000866659477 589508237 /nfs/dbraw/zinc/50/82/37/589508237.db2.gz MNCCQHIUQCEIHX-GHMZBOCLSA-N 1 3 235.335 0.436 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704017 589513614 /nfs/dbraw/zinc/51/36/14/589513614.db2.gz NUKIBUGMNUFISW-WOPDTQHZSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704017 589513615 /nfs/dbraw/zinc/51/36/15/589513615.db2.gz NUKIBUGMNUFISW-WOPDTQHZSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000866704017 589513616 /nfs/dbraw/zinc/51/36/16/589513616.db2.gz NUKIBUGMNUFISW-WOPDTQHZSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704802 589514193 /nfs/dbraw/zinc/51/41/93/589514193.db2.gz YDTKBFBPPVYHSB-CMPLNLGQSA-N 1 3 230.352 0.050 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704802 589514195 /nfs/dbraw/zinc/51/41/95/589514195.db2.gz YDTKBFBPPVYHSB-CMPLNLGQSA-N 1 3 230.352 0.050 20 0 BCADHO CCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866707137 589514518 /nfs/dbraw/zinc/51/45/18/589514518.db2.gz GXKKQJXGGHQYNU-AXFHLTTASA-N 1 3 239.319 0.263 20 0 BCADHO CC[C@@H](C[NH+](C)C)OC(=O)C1CCN(C)C1=O ZINC000870553157 589674918 /nfs/dbraw/zinc/67/49/18/589674918.db2.gz HSEHGSSPIJECDO-VHSXEESVSA-N 1 3 242.319 0.348 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)CN1 ZINC000870912403 589696434 /nfs/dbraw/zinc/69/64/34/589696434.db2.gz FWOBVXZMLSNFFR-FIQHERPVSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1CN(C(=O)CC[NH2+]CC2CC2)[C@@H](C)CN1 ZINC000870912535 589696648 /nfs/dbraw/zinc/69/66/48/589696648.db2.gz HIHZWZNYDQYLCI-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000870928966 589697800 /nfs/dbraw/zinc/69/78/00/589697800.db2.gz NICAIGMHNQUEJZ-UTLUCORTSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H](NC(=O)C(C)(C)N)C1CC[NH2+]CC1 ZINC000870987510 589704381 /nfs/dbraw/zinc/70/43/81/589704381.db2.gz KEWOYLJCVFLPOK-QMMMGPOBSA-N 1 3 213.325 0.228 20 0 BCADHO [NH3+][C@H]1C[C@@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000870963807 589701876 /nfs/dbraw/zinc/70/18/76/589701876.db2.gz UETGCKLBPMKRDU-JGZJWPJOSA-N 1 3 245.326 0.757 20 0 BCADHO NC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870965888 589702499 /nfs/dbraw/zinc/70/24/99/589702499.db2.gz WYNFUZVTBKTDNG-KGYLQXTDSA-N 1 3 247.342 0.582 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981531 589704627 /nfs/dbraw/zinc/70/46/27/589704627.db2.gz JGKAZQOBRMKGBL-TUAOUCFPSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981531 589704628 /nfs/dbraw/zinc/70/46/28/589704628.db2.gz JGKAZQOBRMKGBL-TUAOUCFPSA-N 1 3 239.363 0.522 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983068 589705032 /nfs/dbraw/zinc/70/50/32/589705032.db2.gz SIDKKOQXTOFJRI-HBNTYKKESA-N 1 3 225.336 0.147 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983068 589705033 /nfs/dbraw/zinc/70/50/33/589705033.db2.gz SIDKKOQXTOFJRI-HBNTYKKESA-N 1 3 225.336 0.147 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870983064 589705430 /nfs/dbraw/zinc/70/54/30/589705430.db2.gz SIDKKOQXTOFJRI-DCAQKATOSA-N 1 3 225.336 0.147 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870983064 589705432 /nfs/dbraw/zinc/70/54/32/589705432.db2.gz SIDKKOQXTOFJRI-DCAQKATOSA-N 1 3 225.336 0.147 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986111 589705765 /nfs/dbraw/zinc/70/57/65/589705765.db2.gz FJUHHOBFJMWDIZ-ONGXEEELSA-N 1 3 227.352 0.474 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)N(C)C ZINC000870985454 589706424 /nfs/dbraw/zinc/70/64/24/589706424.db2.gz DEOMRNFEXFBXRT-PWSUYJOCSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988348 589707176 /nfs/dbraw/zinc/70/71/76/589707176.db2.gz NHQBHJLVNICZML-CMPLNLGQSA-N 1 3 241.379 0.864 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994916 589707827 /nfs/dbraw/zinc/70/78/27/589707827.db2.gz YDSDFMKJZQOIDK-GWCFXTLKSA-N 1 3 241.379 0.947 20 0 BCADHO CN(C)C1CC[NH+](CCC2OCCO2)CC1 ZINC000123786842 589813557 /nfs/dbraw/zinc/81/35/57/589813557.db2.gz KXHDOQFGMKIEPY-UHFFFAOYSA-N 1 3 228.336 0.775 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC[C@H](O)CC(C)(C)O ZINC000872201715 589890856 /nfs/dbraw/zinc/89/08/56/589890856.db2.gz HXKXTPSUUIIIEX-WDEREUQCSA-N 1 3 232.368 0.438 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1C ZINC000872288507 589906380 /nfs/dbraw/zinc/90/63/80/589906380.db2.gz MUYLHURHHDPRIA-JPYZYGQNSA-N 1 3 237.347 0.323 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000872297579 589907938 /nfs/dbraw/zinc/90/79/38/589907938.db2.gz QVKOGKVPCBYZGG-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCNCCC1(C)C ZINC000872298803 589907968 /nfs/dbraw/zinc/90/79/68/589907968.db2.gz UIRVMGMOAIRGIW-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000124090178 589940598 /nfs/dbraw/zinc/94/05/98/589940598.db2.gz LLZOFOLCNBVRLH-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](C[NH3+])NCc1cc2c(s1)CCNC2 ZINC000873211855 589996054 /nfs/dbraw/zinc/99/60/54/589996054.db2.gz FKFBQSWCIDHRCW-MRVPVSSYSA-N 1 3 225.361 0.831 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245987 590006393 /nfs/dbraw/zinc/00/63/93/590006393.db2.gz QVJGULSJBWXKCF-WDEREUQCSA-N 1 3 241.379 0.879 20 0 BCADHO COC[C@H](CCC[NH3+])N[C@@H](C)c1ccnn1C ZINC000873274183 590016682 /nfs/dbraw/zinc/01/66/82/590016682.db2.gz BJXNGJDXCCDODV-QWRGUYRKSA-N 1 3 240.351 0.825 20 0 BCADHO C[NH+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000874300736 590102793 /nfs/dbraw/zinc/10/27/93/590102793.db2.gz ACSYKWIMVDDBGU-GFCCVEGCSA-N 1 3 239.363 0.635 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876538528 590211549 /nfs/dbraw/zinc/21/15/49/590211549.db2.gz SDQJFWFTDTWLGM-VHSXEESVSA-N 1 3 243.326 0.144 20 0 BCADHO CCCCCCN(C)CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000126090680 590229042 /nfs/dbraw/zinc/22/90/42/590229042.db2.gz JZPWVHZIXYDHKP-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCCCCCN(C)CC(=O)N[C@H]1CC[NH2+]C1 ZINC000126090871 590229047 /nfs/dbraw/zinc/22/90/47/590229047.db2.gz JZPWVHZIXYDHKP-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@@H](CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)N(C)C ZINC000876734157 590234200 /nfs/dbraw/zinc/23/42/00/590234200.db2.gz BDJOPAUJBPNJOR-LOWVWBTDSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)C[NH3+] ZINC000876829459 590247025 /nfs/dbraw/zinc/24/70/25/590247025.db2.gz IYLLGUBZCMOATM-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876833829 590247986 /nfs/dbraw/zinc/24/79/86/590247986.db2.gz YGXBXDWVYYROAS-VLEAKVRGSA-N 1 3 239.363 0.569 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876846344 590248729 /nfs/dbraw/zinc/24/87/29/590248729.db2.gz AWYXDTZMLHFOQQ-BDAKNGLRSA-N 1 3 213.325 0.038 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876978712 590264426 /nfs/dbraw/zinc/26/44/26/590264426.db2.gz NYEBSEOMEPQIFH-ZYUZMQFOSA-N 1 3 243.326 0.258 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)c1cccc(CN)c1 ZINC000877103264 590283664 /nfs/dbraw/zinc/28/36/64/590283664.db2.gz SIEJLJJWPSMNTR-VIFPVBQESA-N 1 3 221.304 0.565 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000877102676 590283722 /nfs/dbraw/zinc/28/37/22/590283722.db2.gz LAORDQKEHWPHND-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103481 590283822 /nfs/dbraw/zinc/28/38/22/590283822.db2.gz VJUGXGBXXGYCHQ-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])N(C)C ZINC000877103642 590284002 /nfs/dbraw/zinc/28/40/02/590284002.db2.gz XBKJWWYLKQHAIA-ZJUUUORDSA-N 1 3 215.341 0.378 20 0 BCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])N(C)C ZINC000877104350 590284008 /nfs/dbraw/zinc/28/40/08/590284008.db2.gz ANAXTRLUOFWACT-BDAKNGLRSA-N 1 3 201.314 0.132 20 0 BCADHO CC1(C)CC[C@@H](CNC(=O)C2(N)CC2)[NH2+]C1 ZINC000877158416 590291815 /nfs/dbraw/zinc/29/18/15/590291815.db2.gz SIXYQINLEKYLBG-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158768 590294089 /nfs/dbraw/zinc/29/40/89/590294089.db2.gz XAYZZUQKZVVACL-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000877176237 590297138 /nfs/dbraw/zinc/29/71/38/590297138.db2.gz NOYNCVUGURSGGP-HRDYMLBCSA-N 1 3 211.309 0.075 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000877179693 590298010 /nfs/dbraw/zinc/29/80/10/590298010.db2.gz HKYYHQZRKXTFBB-CKYFFXLPSA-N 1 3 239.363 0.761 20 0 BCADHO CC[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)N(C)C ZINC000877183628 590298189 /nfs/dbraw/zinc/29/81/89/590298189.db2.gz ANWZVBKEBUTXRR-AKJDGMEZSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205479 590301087 /nfs/dbraw/zinc/30/10/87/590301087.db2.gz JODDWDYGARLYON-SNVBAGLBSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243404 590302561 /nfs/dbraw/zinc/30/25/61/590302561.db2.gz KHTREEAJRYFYES-DBIOUOCHSA-N 1 3 225.336 0.228 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242832 590302527 /nfs/dbraw/zinc/30/25/27/590302527.db2.gz BCRVTOFYMRDMKI-DCAQKATOSA-N 1 3 227.352 0.603 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242326 590302789 /nfs/dbraw/zinc/30/27/89/590302789.db2.gz AFJNGUSWPPFWCB-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC2(CCC2)C1 ZINC000877244174 590302956 /nfs/dbraw/zinc/30/29/56/590302956.db2.gz VUWFRHGXIAYUSH-MGCOHNPYSA-N 1 3 237.347 0.502 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCC1 ZINC000877245838 590303471 /nfs/dbraw/zinc/30/34/71/590303471.db2.gz NSRRKILKNZAZMS-KYZUINATSA-N 1 3 211.309 0.111 20 0 BCADHO C[C@H](NC(=O)C1(N)CCCC1)C1CC[NH2+]CC1 ZINC000877254994 590304164 /nfs/dbraw/zinc/30/41/64/590304164.db2.gz LFYMGMRLPBGSDS-JTQLQIEISA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C1CC[NH2+]CC1 ZINC000877253259 590304253 /nfs/dbraw/zinc/30/42/53/590304253.db2.gz QGEODVCBTKVDDL-MWLCHTKSSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C2(N)CC2)C1 ZINC000877260081 590304270 /nfs/dbraw/zinc/30/42/70/590304270.db2.gz QYRZSKOKRDGGPW-GFCCVEGCSA-N 1 3 239.363 0.701 20 0 BCADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CN)C1 ZINC000877259249 590304435 /nfs/dbraw/zinc/30/44/35/590304435.db2.gz BSYXFLCWHUNZSS-LLVKDONJSA-N 1 3 213.325 0.169 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285033 590306946 /nfs/dbraw/zinc/30/69/46/590306946.db2.gz XSLFGAMKMGGBAM-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO O=C(N1CCC[C@@H]2[NH2+]CC[C@@H]21)[C@@]1(F)CCNC1 ZINC000877287115 590307424 /nfs/dbraw/zinc/30/74/24/590307424.db2.gz JEQJPNQXVSOPII-JBLDHEPKSA-N 1 3 241.310 0.041 20 0 BCADHO [NH3+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCNC2)CC1 ZINC000877291942 590307753 /nfs/dbraw/zinc/30/77/53/590307753.db2.gz RTVNXHIZUOKOIN-FXPVBKGRSA-N 1 3 229.299 0.074 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877341025 590317629 /nfs/dbraw/zinc/31/76/29/590317629.db2.gz SZNAXIYKAXTSGP-GWCFXTLKSA-N 1 3 247.342 0.554 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877341027 590317720 /nfs/dbraw/zinc/31/77/20/590317720.db2.gz SZNAXIYKAXTSGP-GXFFZTMASA-N 1 3 247.342 0.554 20 0 BCADHO C[NH2+]CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877346777 590318805 /nfs/dbraw/zinc/31/88/05/590318805.db2.gz NBRFEFXROJXHFH-GFCCVEGCSA-N 1 3 233.315 0.037 20 0 BCADHO [NH3+]CCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346838 590319063 /nfs/dbraw/zinc/31/90/63/590319063.db2.gz IQUOIMPDROZBGX-LBPRGKRZSA-N 1 3 233.315 0.166 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375225 590319676 /nfs/dbraw/zinc/31/96/76/590319676.db2.gz VPLRYUKMZRIJFT-WCQYABFASA-N 1 3 239.363 0.396 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375233 590319768 /nfs/dbraw/zinc/31/97/68/590319768.db2.gz VVBJSMIWKVYIBP-MRBYEJRBSA-N 1 3 239.363 0.428 20 0 BCADHO CCCN(C)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391046 590322059 /nfs/dbraw/zinc/32/20/59/590322059.db2.gz MAMONKIYHVSBKF-WCQYABFASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391505 590322293 /nfs/dbraw/zinc/32/22/93/590322293.db2.gz OGTATBVWLSSVSI-UFGOTCBOSA-N 1 3 237.347 0.528 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401905 590323840 /nfs/dbraw/zinc/32/38/40/590323840.db2.gz RJSAQKGXSVDVFX-WDEREUQCSA-N 1 3 239.363 0.762 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)CNC1CC1 ZINC000877438228 590327974 /nfs/dbraw/zinc/32/79/74/590327974.db2.gz LHFLLKBPYNPDHK-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCNCC(=O)N(C)CCCCCC[NH3+] ZINC000877444535 590329049 /nfs/dbraw/zinc/32/90/49/590329049.db2.gz NSDNKHFCBUAYAW-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451648 590329776 /nfs/dbraw/zinc/32/97/76/590329776.db2.gz SCFPMPMJMIAYBU-FPYNETTCSA-N 1 3 249.358 0.147 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451650 590329913 /nfs/dbraw/zinc/32/99/13/590329913.db2.gz SCFPMPMJMIAYBU-MLGHIDQZSA-N 1 3 249.358 0.147 20 0 BCADHO C[NH+]1CCC2(CCN(CC3OCCO3)C2)CC1 ZINC000878866942 590635102 /nfs/dbraw/zinc/63/51/02/590635102.db2.gz OIELKMNCAPOEBZ-UHFFFAOYSA-N 1 3 240.347 0.777 20 0 BCADHO CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879573766 590810061 /nfs/dbraw/zinc/81/00/61/590810061.db2.gz RCUJKGZVFOUZPS-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879573766 590810065 /nfs/dbraw/zinc/81/00/65/590810065.db2.gz RCUJKGZVFOUZPS-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO COC[C@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473430 591053415 /nfs/dbraw/zinc/05/34/15/591053415.db2.gz YYROCBLEWDFZLE-GFCCVEGCSA-N 1 3 242.363 0.554 20 0 BCADHO [NH3+][C@@H](CC(=O)NCCN1CCCC1)C1CC1 ZINC000129771909 591402667 /nfs/dbraw/zinc/40/26/67/591402667.db2.gz SJTHJZZURBISQB-NSHDSACASA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)N(C)C ZINC000129810353 591409923 /nfs/dbraw/zinc/40/99/23/591409923.db2.gz MCYJLZZKCRLZAU-SCZZXKLOSA-N 1 3 213.325 0.180 20 0 BCADHO CN(CCNC(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000129872871 591414787 /nfs/dbraw/zinc/41/47/87/591414787.db2.gz GGBBIYCACFJFIJ-NSHDSACASA-N 1 3 225.336 0.324 20 0 BCADHO c1ncc2c(n1)CCN(CC1CC[NH2+]CC1)C2 ZINC000883414613 591652687 /nfs/dbraw/zinc/65/26/87/591652687.db2.gz BNAOMUWADYWHET-UHFFFAOYSA-N 1 3 232.331 0.834 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](CF)C1 ZINC000883447535 591670538 /nfs/dbraw/zinc/67/05/38/591670538.db2.gz DZHBCSYFOHKUCR-VHSXEESVSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](CF)C1 ZINC000883447535 591670542 /nfs/dbraw/zinc/67/05/42/591670542.db2.gz DZHBCSYFOHKUCR-VHSXEESVSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](CF)C1 ZINC000883447535 591670544 /nfs/dbraw/zinc/67/05/44/591670544.db2.gz DZHBCSYFOHKUCR-VHSXEESVSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000883447053 591670899 /nfs/dbraw/zinc/67/08/99/591670899.db2.gz RNTZUQUGSMQYEO-MNOVXSKESA-N 1 3 218.316 0.638 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](CF)C1 ZINC000883447053 591670900 /nfs/dbraw/zinc/67/09/00/591670900.db2.gz RNTZUQUGSMQYEO-MNOVXSKESA-N 1 3 218.316 0.638 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884006288 591794163 /nfs/dbraw/zinc/79/41/63/591794163.db2.gz MIPGOHONMKDEBT-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000884007683 591795422 /nfs/dbraw/zinc/79/54/22/591795422.db2.gz KUDUBLWNZIAEIE-NSHDSACASA-N 1 3 239.363 0.892 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)CC1CC1 ZINC000884014628 591799825 /nfs/dbraw/zinc/79/98/25/591799825.db2.gz SERHHSLPSRLXCZ-SNVBAGLBSA-N 1 3 213.325 0.230 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884021510 591802691 /nfs/dbraw/zinc/80/26/91/591802691.db2.gz CXLGTRQDXGRGPE-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884037733 591819089 /nfs/dbraw/zinc/81/90/89/591819089.db2.gz KZJBJSSZFQGALK-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO COCC[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000884040811 591823059 /nfs/dbraw/zinc/82/30/59/591823059.db2.gz DYFKFGHJIVXHDQ-GHMZBOCLSA-N 1 3 245.367 0.182 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000133757413 591852916 /nfs/dbraw/zinc/85/29/16/591852916.db2.gz WQIZOFPXCINEGR-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CC1([NH3+])CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000884266336 591888002 /nfs/dbraw/zinc/88/80/02/591888002.db2.gz OKNBWBSETGRBMK-SNVBAGLBSA-N 1 3 225.336 0.454 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265688 591888552 /nfs/dbraw/zinc/88/85/52/591888552.db2.gz QNSSWZSRIOXNFO-GHMZBOCLSA-N 1 3 225.336 0.372 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000884272631 591889778 /nfs/dbraw/zinc/88/97/78/591889778.db2.gz ZPVIZVCUBVYEOD-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)CC[NH2+]1 ZINC000884274745 591889919 /nfs/dbraw/zinc/88/99/19/591889919.db2.gz UDVYMFMFYDOWGF-IEBDPFPHSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884286471 591893315 /nfs/dbraw/zinc/89/33/15/591893315.db2.gz FJKMDFWNUAVHNI-NEPJUHHUSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884286286 591893847 /nfs/dbraw/zinc/89/38/47/591893847.db2.gz AVDDWQQEMAEFTQ-IQIPOGNMSA-N 1 3 239.363 0.617 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000884296627 591896694 /nfs/dbraw/zinc/89/66/94/591896694.db2.gz BPEPKKOYKVFKFG-YUMQZZPRSA-N 1 3 235.278 0.213 20 0 BCADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000884304728 591900516 /nfs/dbraw/zinc/90/05/16/591900516.db2.gz ZBJNENLGLYJQTI-JTQLQIEISA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347817 591909147 /nfs/dbraw/zinc/90/91/47/591909147.db2.gz HBQVGEWUNSJRCW-LPEHRKFASA-N 1 3 227.352 0.602 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357769 591912289 /nfs/dbraw/zinc/91/22/89/591912289.db2.gz FCKCSHFOVVJQLH-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000884358864 591912903 /nfs/dbraw/zinc/91/29/03/591912903.db2.gz ZNUCGPISUYEMDO-VWYCJHECSA-N 1 3 241.379 0.815 20 0 BCADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000884364637 591916535 /nfs/dbraw/zinc/91/65/35/591916535.db2.gz UVMJXGRZOVAIQN-UTLUCORTSA-N 1 3 227.352 0.569 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000884364636 591916785 /nfs/dbraw/zinc/91/67/85/591916785.db2.gz UVMJXGRZOVAIQN-OPRDCNLKSA-N 1 3 227.352 0.569 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363498 591916854 /nfs/dbraw/zinc/91/68/54/591916854.db2.gz DGGJQGUDYZBUGD-NXEZZACHSA-N 1 3 236.319 0.503 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000884403841 591926026 /nfs/dbraw/zinc/92/60/26/591926026.db2.gz SUYKEDAZHJJVIC-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884408628 591927079 /nfs/dbraw/zinc/92/70/79/591927079.db2.gz NNPZPIQNKAMPEK-SQLBVSGCSA-N 1 3 223.320 0.064 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884431362 591932498 /nfs/dbraw/zinc/93/24/98/591932498.db2.gz RUDZJHCHNIAUJL-MNOVXSKESA-N 1 3 237.347 0.515 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H](N)CC1CC1 ZINC000884458302 591940596 /nfs/dbraw/zinc/94/05/96/591940596.db2.gz BBRHNFVHKJDSKF-SZEHBUNVSA-N 1 3 211.309 0.062 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](C[C@](C)(O)C(F)F)C1 ZINC000886010840 592130099 /nfs/dbraw/zinc/13/00/99/592130099.db2.gz QMQZENVUQJBGQF-ONGXEEELSA-N 1 3 236.306 0.886 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886010840 592130101 /nfs/dbraw/zinc/13/01/01/592130101.db2.gz QMQZENVUQJBGQF-ONGXEEELSA-N 1 3 236.306 0.886 20 0 BCADHO [NH3+][C@@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000137383753 592176027 /nfs/dbraw/zinc/17/60/27/592176027.db2.gz SZDVZKMMXRMNKV-PWSUYJOCSA-N 1 3 237.347 0.467 20 0 BCADHO COC(=O)[C@H]1CC[C@H](NCCC[NH+](C)C)C1 ZINC000886489617 592235795 /nfs/dbraw/zinc/23/57/95/592235795.db2.gz MXHCVPVALHDTFQ-QWRGUYRKSA-N 1 3 228.336 0.869 20 0 BCADHO COC(=O)[C@@H](C)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000220365995 592307999 /nfs/dbraw/zinc/30/79/99/592307999.db2.gz BWVILGDTDLKLMI-WDEREUQCSA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCCNC1 ZINC000220365995 592308003 /nfs/dbraw/zinc/30/80/03/592308003.db2.gz BWVILGDTDLKLMI-WDEREUQCSA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC000220365995 592308005 /nfs/dbraw/zinc/30/80/05/592308005.db2.gz BWVILGDTDLKLMI-WDEREUQCSA-N 1 3 228.336 0.727 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827131 592351270 /nfs/dbraw/zinc/35/12/70/592351270.db2.gz FHGVDZOGHXMAHV-IJLUTSLNSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886827131 592351274 /nfs/dbraw/zinc/35/12/74/592351274.db2.gz FHGVDZOGHXMAHV-IJLUTSLNSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1C[C@]13CCOC3)C2 ZINC000886841888 592363010 /nfs/dbraw/zinc/36/30/10/592363010.db2.gz ZKBDVKWXQLZVHZ-RQJABVFESA-N 1 3 236.359 0.954 20 0 BCADHO [NH3+]CC12CC(C1)CN2C[C@@H]1C[C@@]12CCOC2 ZINC000886841536 592363465 /nfs/dbraw/zinc/36/34/65/592363465.db2.gz OBWFBKCDSINXHG-CMOBGSAGSA-N 1 3 222.332 0.836 20 0 BCADHO [NH3+]C[C@H]1CCCN1C[C@@H]1C[C@@]12CCOC2 ZINC000886881129 592380557 /nfs/dbraw/zinc/38/05/57/592380557.db2.gz RFUKDSNABFUXHK-QJPTWQEYSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@H]1CCN(CCNC(=[NH2+])NCC(F)F)C1 ZINC000887353827 592486999 /nfs/dbraw/zinc/48/69/99/592486999.db2.gz DSIVEEYGKIWDIW-QMMMGPOBSA-N 1 3 234.294 0.707 20 0 BCADHO C[C@@H]1OCC[C@]1(C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000300423878 592512397 /nfs/dbraw/zinc/51/23/97/592512397.db2.gz XEMWWDNGBPQNLP-XQQFMLRXSA-N 1 3 242.363 0.600 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000236838037 635434223 /nfs/dbraw/zinc/43/42/23/635434223.db2.gz KKFLBUKPGRSWNC-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CCN(CC)C(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000227766154 635453337 /nfs/dbraw/zinc/45/33/37/635453337.db2.gz QXLOUGGVZAWNRX-NWDGAFQWSA-N 1 3 241.379 0.772 20 0 BCADHO [NH3+]CCC[C@@H](N[C@H]1CNOC1)c1ccccc1 ZINC000925866218 635570853 /nfs/dbraw/zinc/57/08/53/635570853.db2.gz UQSQFCYRDIGAJA-QWHCGFSZSA-N 1 3 235.331 0.960 20 0 BCADHO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@@H]1CN)CC2 ZINC000925893493 635618904 /nfs/dbraw/zinc/61/89/04/635618904.db2.gz OOUQPCUCZPKVNZ-MXWKQRLJSA-N 1 3 249.362 0.389 20 0 BCADHO CC(C)[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000086124621 631464749 /nfs/dbraw/zinc/46/47/49/631464749.db2.gz WFBUPWBAPJMVRM-NWDGAFQWSA-N 1 3 230.352 0.050 20 0 BCADHO [NH3+]C[C@H]1CCCN(CCc2cn[nH]c2)C1 ZINC000309014275 631799435 /nfs/dbraw/zinc/79/94/35/631799435.db2.gz QJBKDSMILPEOKH-SNVBAGLBSA-N 1 3 208.309 0.623 20 0 BCADHO CN(C)C(=O)CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309106580 631886916 /nfs/dbraw/zinc/88/69/16/631886916.db2.gz MOZYBRCQWHTPNC-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200501 632537444 /nfs/dbraw/zinc/53/74/44/632537444.db2.gz OEVHKTMRYSQRHS-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CN(C)CC(C)(C)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924526184 632680562 /nfs/dbraw/zinc/68/05/62/632680562.db2.gz IQEGSXVZCUBMNM-JTQLQIEISA-N 1 3 241.379 0.688 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310135446 632702520 /nfs/dbraw/zinc/70/25/20/632702520.db2.gz BJXDTNWMZGYWDA-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310135446 632702525 /nfs/dbraw/zinc/70/25/25/632702525.db2.gz BJXDTNWMZGYWDA-RYUDHWBXSA-N 1 3 239.363 0.572 20 0 BCADHO Cc1cc(C)cc(CNC(CN)C[NH3+])c1 ZINC000309565868 633201109 /nfs/dbraw/zinc/20/11/09/633201109.db2.gz QOELIUHYGHJIKQ-UHFFFAOYSA-N 1 3 207.321 0.679 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000334435427 636044797 /nfs/dbraw/zinc/04/47/97/636044797.db2.gz OSUPQHNQBMJJGU-NSHDSACASA-N 1 3 223.320 0.080 20 0 BCADHO CO[C@H](CNCC[C@@H](C)[NH+](C)C)[C@H]1CCOC1 ZINC000895291279 636131962 /nfs/dbraw/zinc/13/19/62/636131962.db2.gz AZIJNHLHHDRBFN-FRRDWIJNSA-N 1 3 244.379 0.968 20 0 BCADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019775075 633790214 /nfs/dbraw/zinc/79/02/14/633790214.db2.gz VPLGEEIXPZZBGV-NSHDSACASA-N 1 3 243.326 0.242 20 0 BCADHO CCc1nncn1CCN[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925513253 633855809 /nfs/dbraw/zinc/85/58/09/633855809.db2.gz GLEXMGZZEZVXMJ-MNOVXSKESA-N 1 3 249.362 0.700 20 0 BCADHO CCc1nncn1CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925513253 633855814 /nfs/dbraw/zinc/85/58/14/633855814.db2.gz GLEXMGZZEZVXMJ-MNOVXSKESA-N 1 3 249.362 0.700 20 0 BCADHO COC[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983011 634025863 /nfs/dbraw/zinc/02/58/63/634025863.db2.gz NLWVWGXHLGZBCF-OLZOCXBDSA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000309983012 634026687 /nfs/dbraw/zinc/02/66/87/634026687.db2.gz NLWVWGXHLGZBCF-QWHCGFSZSA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@H](CO)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925661323 634225899 /nfs/dbraw/zinc/22/58/99/634225899.db2.gz DCZOGMDAEHXGDU-AXFHLTTASA-N 1 3 230.352 0.489 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1N[C@H]1CCc2nc[nH]c2C1 ZINC000925667155 634243087 /nfs/dbraw/zinc/24/30/87/634243087.db2.gz AEEOZKWAIYFIME-CABZTGNLSA-N 1 3 234.347 0.997 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1N[C@H]1CCc2[nH]cnc2C1 ZINC000925667155 634243088 /nfs/dbraw/zinc/24/30/88/634243088.db2.gz AEEOZKWAIYFIME-CABZTGNLSA-N 1 3 234.347 0.997 20 0 BCADHO [NH3+]C[C@@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000258430172 635149954 /nfs/dbraw/zinc/14/99/54/635149954.db2.gz GZQNVTTWNSZKQA-UONOGXRCSA-N 1 3 234.343 0.871 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424030633 635153701 /nfs/dbraw/zinc/15/37/01/635153701.db2.gz RGYCXUQRRDVROR-GMXVVIOVSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NCc1cc(N)ccn1 ZINC000925767910 635186279 /nfs/dbraw/zinc/18/62/79/635186279.db2.gz RHOBQHHTWYWKHS-SKDRFNHKSA-N 1 3 220.320 0.894 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(CC2CC2)CC1 ZINC000111273335 637097676 /nfs/dbraw/zinc/09/76/76/637097676.db2.gz IRFUPGNTWLCVQM-OCCSQVGLSA-N 1 3 237.391 0.870 20 0 BCADHO NOCCC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000904456944 637418771 /nfs/dbraw/zinc/41/87/71/637418771.db2.gz IBWSZQRRBUEOOS-UHFFFAOYSA-N 1 3 241.360 0.764 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)C2(O)CCC2)CC1 ZINC000905026945 637574141 /nfs/dbraw/zinc/57/41/41/637574141.db2.gz OVIAYFJMKUBHOJ-GFCCVEGCSA-N 1 3 242.363 0.336 20 0 BCADHO CC(C)(C)NCc1cn(CCCC[NH3+])nn1 ZINC000905057474 637591784 /nfs/dbraw/zinc/59/17/84/637591784.db2.gz WXWPNXXIZJDKRC-UHFFFAOYSA-N 1 3 225.340 0.905 20 0 BCADHO CCC[C@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000905585714 637855993 /nfs/dbraw/zinc/85/59/93/637855993.db2.gz AITSJCNQWVXHOD-STQMWFEESA-N 1 3 244.379 0.582 20 0 BCADHO CCC[C@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000905585714 637855995 /nfs/dbraw/zinc/85/59/95/637855995.db2.gz AITSJCNQWVXHOD-STQMWFEESA-N 1 3 244.379 0.582 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000906092312 638051249 /nfs/dbraw/zinc/05/12/49/638051249.db2.gz KURLBDPVAZLQPB-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000906092246 638051789 /nfs/dbraw/zinc/05/17/89/638051789.db2.gz WNMHTWXDLAOTFN-GMTAPVOTSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000906092248 638051830 /nfs/dbraw/zinc/05/18/30/638051830.db2.gz WNMHTWXDLAOTFN-MXWKQRLJSA-N 1 3 227.352 0.474 20 0 BCADHO CN(C)C1(C(=O)NC2CC([NH+](C)C)C2)CCC1 ZINC000908013223 638548411 /nfs/dbraw/zinc/54/84/11/638548411.db2.gz RTUGCTOPFFNAER-UHFFFAOYSA-N 1 3 239.363 0.680 20 0 BCADHO CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000908350595 638661367 /nfs/dbraw/zinc/66/13/67/638661367.db2.gz ZRBIDHMRCYRRSK-NWDGAFQWSA-N 1 3 249.358 0.245 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911671721 639697121 /nfs/dbraw/zinc/69/71/21/639697121.db2.gz AOCFJYVYLVUOSC-PWSUYJOCSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652383 639708926 /nfs/dbraw/zinc/70/89/26/639708926.db2.gz PWRSKOURODOWBG-BBBLOLIVSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911656368 639712452 /nfs/dbraw/zinc/71/24/52/639712452.db2.gz LVJDXKLFVSLYAI-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NCCC[NH2+]C ZINC000911677806 639721228 /nfs/dbraw/zinc/72/12/28/639721228.db2.gz SVWVXEJVIMRNEO-NXEZZACHSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692588 639727800 /nfs/dbraw/zinc/72/78/00/639727800.db2.gz TWGDYTMGJIKDGM-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698799 639733439 /nfs/dbraw/zinc/73/34/39/639733439.db2.gz KRARGMRKEVKKHC-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911737862 639764444 /nfs/dbraw/zinc/76/44/44/639764444.db2.gz DAUCJXQPOGNTPN-AXFHLTTASA-N 1 3 227.352 0.557 20 0 BCADHO C[NH2+]CCNC(=O)c1ccc2c(c1)OCCNC2 ZINC000911749226 639775039 /nfs/dbraw/zinc/77/50/39/639775039.db2.gz ZAFFFAVWZKUPDJ-UHFFFAOYSA-N 1 3 249.314 0.118 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000911752109 639778783 /nfs/dbraw/zinc/77/87/83/639778783.db2.gz JZXKVEZGVDZCTP-KOLCDFICSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911768002 639793089 /nfs/dbraw/zinc/79/30/89/639793089.db2.gz NXIKFVIGBWYXHZ-TUAOUCFPSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000911798848 639821001 /nfs/dbraw/zinc/82/10/01/639821001.db2.gz XHMFPAAGKWVXKK-BJDJZHNGSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801647 639824080 /nfs/dbraw/zinc/82/40/80/639824080.db2.gz FJRQUYNXJPMFBE-UFGOTCBOSA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911824977 639837376 /nfs/dbraw/zinc/83/73/76/639837376.db2.gz FIWOIUBCPCVFQD-HBNTYKKESA-N 1 3 229.368 0.849 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000911824975 639838179 /nfs/dbraw/zinc/83/81/79/639838179.db2.gz FIWOIUBCPCVFQD-DCAQKATOSA-N 1 3 229.368 0.849 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CCSC ZINC000911864613 639851535 /nfs/dbraw/zinc/85/15/35/639851535.db2.gz SGFMSNCEXFKJJX-NXEZZACHSA-N 1 3 245.392 0.277 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869527 639853477 /nfs/dbraw/zinc/85/34/77/639853477.db2.gz WMIHKBSJNMQOAL-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911844974 639854552 /nfs/dbraw/zinc/85/45/52/639854552.db2.gz ICSBPBBSRSLEEX-VWYCJHECSA-N 1 3 237.347 0.052 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911847437 639856991 /nfs/dbraw/zinc/85/69/91/639856991.db2.gz WPLOEAXKKGQRQQ-RKDXNWHRSA-N 1 3 215.341 0.603 20 0 BCADHO C[NH2+]C1CC(C(=O)N2CCNCC2(C)C)C1 ZINC000911848777 639857702 /nfs/dbraw/zinc/85/77/02/639857702.db2.gz XCQNMFUDIAQIAL-UHFFFAOYSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)(C[NH3+])CC(=O)N1CCNCC1(C)C ZINC000911848972 639858059 /nfs/dbraw/zinc/85/80/59/639858059.db2.gz XRTXPUHMQXLTTM-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(=O)O3)C[C@H]21 ZINC000931277063 640125575 /nfs/dbraw/zinc/12/55/75/640125575.db2.gz HGQZHOYTHDICTE-UXCLJVHYSA-N 1 3 224.304 0.184 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(=O)O3)C[C@H]21 ZINC000931277063 640125582 /nfs/dbraw/zinc/12/55/82/640125582.db2.gz HGQZHOYTHDICTE-UXCLJVHYSA-N 1 3 224.304 0.184 20 0 BCADHO COCC(COC)[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000931548312 640266852 /nfs/dbraw/zinc/26/68/52/640266852.db2.gz IEESKNSQAJRMGQ-DGCLKSJQSA-N 1 3 242.363 0.674 20 0 BCADHO COCC(COC)[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000931548312 640266853 /nfs/dbraw/zinc/26/68/53/640266853.db2.gz IEESKNSQAJRMGQ-DGCLKSJQSA-N 1 3 242.363 0.674 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)C[NH3+])N1CCCCC1 ZINC000044995379 640480663 /nfs/dbraw/zinc/48/06/63/640480663.db2.gz LTUQAHZHYNJGNF-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000167121077 640702386 /nfs/dbraw/zinc/70/23/86/640702386.db2.gz UHPIEVJORZHBBC-SECBINFHSA-N 1 3 209.297 0.394 20 0 BCADHO N[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226417684 640763105 /nfs/dbraw/zinc/76/31/05/640763105.db2.gz WKKRNYSFMUFDQQ-NSHDSACASA-N 1 3 200.326 0.962 20 0 BCADHO N[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226417684 640763112 /nfs/dbraw/zinc/76/31/12/640763112.db2.gz WKKRNYSFMUFDQQ-NSHDSACASA-N 1 3 200.326 0.962 20 0 BCADHO CC[C@H](O)CN1CCC[C@@H](C[NH2+]C)C1 ZINC000226677863 640788361 /nfs/dbraw/zinc/78/83/61/640788361.db2.gz AFJPWIFIOYLWDJ-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CCNC2=O)CC[N@@H+]1C ZINC000158110226 640806592 /nfs/dbraw/zinc/80/65/92/640806592.db2.gz GQXVTZVLTGISIL-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CCNC2=O)CC[N@H+]1C ZINC000158110226 640806595 /nfs/dbraw/zinc/80/65/95/640806595.db2.gz GQXVTZVLTGISIL-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@]1(C(=O)NCCN2CCCC2)CCC[NH2+]C1 ZINC000062853733 641098187 /nfs/dbraw/zinc/09/81/87/641098187.db2.gz RZJMGAASUQBELO-CYBMUJFWSA-N 1 3 239.363 0.588 20 0 BCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC000063179876 641146081 /nfs/dbraw/zinc/14/60/81/641146081.db2.gz NHAJOYNDNATXMF-XCRNYIDWSA-N 1 3 245.754 0.526 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC000913760940 641468641 /nfs/dbraw/zinc/46/86/41/641468641.db2.gz UJWGLDYEHQOEMF-JQWIXIFHSA-N 1 3 248.330 0.505 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC000913760940 641468645 /nfs/dbraw/zinc/46/86/45/641468645.db2.gz UJWGLDYEHQOEMF-JQWIXIFHSA-N 1 3 248.330 0.505 20 0 BCADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833658 641614137 /nfs/dbraw/zinc/61/41/37/641614137.db2.gz BHBUPWOXQVLCFX-GHMZBOCLSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833658 641614139 /nfs/dbraw/zinc/61/41/39/641614139.db2.gz BHBUPWOXQVLCFX-GHMZBOCLSA-N 1 3 237.347 0.420 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226746680 641724573 /nfs/dbraw/zinc/72/45/73/641724573.db2.gz JJASWJRYSCMDFX-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC[C@@H](NC(=S)NCC[NH+](C)C)C1 ZINC000918720124 642257798 /nfs/dbraw/zinc/25/77/98/642257798.db2.gz SNCMURBJHBPGKZ-SNVBAGLBSA-N 1 3 244.408 0.106 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000891403535 642483693 /nfs/dbraw/zinc/48/36/93/642483693.db2.gz SFVKWVMZGDKEIH-GMTAPVOTSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCCN(C)C1 ZINC000891403538 642483902 /nfs/dbraw/zinc/48/39/02/642483902.db2.gz SFVKWVMZGDKEIH-VWYCJHECSA-N 1 3 240.351 0.212 20 0 BCADHO COCCOCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253230126 642632395 /nfs/dbraw/zinc/63/23/95/642632395.db2.gz LUYVQBQPOCSJOK-NWDGAFQWSA-N 1 3 230.352 0.566 20 0 BCADHO CCN(CCC(N)=O)C[C@H]1CCC[NH2+]C1 ZINC000233428458 642669127 /nfs/dbraw/zinc/66/91/27/642669127.db2.gz JIKGVJYFLJFTDE-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO COC[C@@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000068890891 642806276 /nfs/dbraw/zinc/80/62/76/642806276.db2.gz ITYHMKRSPRLNGQ-VWYCJHECSA-N 1 3 216.325 0.053 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000068890907 642807755 /nfs/dbraw/zinc/80/77/55/642807755.db2.gz JRAGREYLGPEALV-OUAUKWLOSA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000068890907 642807760 /nfs/dbraw/zinc/80/77/60/642807760.db2.gz JRAGREYLGPEALV-OUAUKWLOSA-N 1 3 216.325 0.195 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968990180 642820752 /nfs/dbraw/zinc/82/07/52/642820752.db2.gz WMMPXVGSEMJLPO-NEPJUHHUSA-N 1 3 241.379 0.783 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968912644 642821249 /nfs/dbraw/zinc/82/12/49/642821249.db2.gz NOUYZUHILJVCHJ-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C(C)C)C1)N(C)C ZINC001019033498 643019265 /nfs/dbraw/zinc/01/92/65/643019265.db2.gz QHENUCFPZYDOFO-NWDGAFQWSA-N 1 3 241.379 0.926 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001019383992 643029665 /nfs/dbraw/zinc/02/96/65/643029665.db2.gz RMJFZQFYTMXSOP-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976969 643148183 /nfs/dbraw/zinc/14/81/83/643148183.db2.gz UQGNMWQSFJVUDE-JQWIXIFHSA-N 1 3 239.363 0.252 20 0 BCADHO CCN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976969 643148189 /nfs/dbraw/zinc/14/81/89/643148189.db2.gz UQGNMWQSFJVUDE-JQWIXIFHSA-N 1 3 239.363 0.252 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000969985372 643261824 /nfs/dbraw/zinc/26/18/24/643261824.db2.gz FPZMPFCDPGANAM-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970105335 643297113 /nfs/dbraw/zinc/29/71/13/643297113.db2.gz LZNUBHYPFMRBFJ-SNVBAGLBSA-N 1 3 236.319 0.553 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047889 643338959 /nfs/dbraw/zinc/33/89/59/643338959.db2.gz VBPBPVGRASWCHZ-NEPJUHHUSA-N 1 3 240.347 0.823 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000247047889 643338965 /nfs/dbraw/zinc/33/89/65/643338965.db2.gz VBPBPVGRASWCHZ-NEPJUHHUSA-N 1 3 240.347 0.823 20 0 BCADHO CC(C)N1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560456 643342409 /nfs/dbraw/zinc/34/24/09/643342409.db2.gz YQSSCMLOMBTHLF-OLZOCXBDSA-N 1 3 225.380 0.868 20 0 BCADHO CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001020982098 643361467 /nfs/dbraw/zinc/36/14/67/643361467.db2.gz YAFIQSWETJBTSL-MGCOHNPYSA-N 1 3 236.319 0.517 20 0 BCADHO C[C@H](O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252415948 643379626 /nfs/dbraw/zinc/37/96/26/643379626.db2.gz MRFTYXKMWQVWNS-QJPTWQEYSA-N 1 3 212.337 0.831 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970718447 643511677 /nfs/dbraw/zinc/51/16/77/643511677.db2.gz VEEIELLVVKGGJM-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO CC[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834098 643741483 /nfs/dbraw/zinc/74/14/83/643741483.db2.gz QWPXNCUQIOLCCD-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063123879 643812198 /nfs/dbraw/zinc/81/21/98/643812198.db2.gz NZBRGFMIZTYXAK-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO COC[C@@H]1COCCN1CC1CC[NH2+]CC1 ZINC000923274275 644306023 /nfs/dbraw/zinc/30/60/23/644306023.db2.gz SBCWDUPJSPOAOF-GFCCVEGCSA-N 1 3 228.336 0.333 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923282532 644317169 /nfs/dbraw/zinc/31/71/69/644317169.db2.gz VKBZOBVLSCVCOL-QWRGUYRKSA-N 1 3 216.325 0.055 20 0 BCADHO CSC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288969 644323092 /nfs/dbraw/zinc/32/30/92/644323092.db2.gz NGLNVBOQDKMGBI-IVZWLZJFSA-N 1 3 218.366 0.379 20 0 BCADHO CCOCC[C@@H](O)CN(C)CCC[NH3+] ZINC000923290676 644326987 /nfs/dbraw/zinc/32/69/87/644326987.db2.gz IZVHTPRNTNAVHU-SNVBAGLBSA-N 1 3 204.314 0.055 20 0 BCADHO CC(C)OC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923295852 644333412 /nfs/dbraw/zinc/33/34/12/644333412.db2.gz IXMBYPQMININRO-VXGBXAGGSA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)COC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296311 644334170 /nfs/dbraw/zinc/33/41/70/644334170.db2.gz QKJHHLKWURZEMJ-QWHCGFSZSA-N 1 3 244.379 0.737 20 0 BCADHO CCCCOC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296528 644334786 /nfs/dbraw/zinc/33/47/86/644334786.db2.gz UTKVJRAIYIJQGU-STQMWFEESA-N 1 3 244.379 0.881 20 0 BCADHO C([C@H]1CC2(C[NH2+]C2)CO1)N1CCSCC1 ZINC000923301012 644339071 /nfs/dbraw/zinc/33/90/71/644339071.db2.gz NHQPTOADYPJOHA-SNVBAGLBSA-N 1 3 228.361 0.414 20 0 BCADHO CCOCC[C@@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000923334676 644357371 /nfs/dbraw/zinc/35/73/71/644357371.db2.gz JCWDTYODXWZRSN-QWHCGFSZSA-N 1 3 244.379 0.848 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000923345873 644365513 /nfs/dbraw/zinc/36/55/13/644365513.db2.gz QVMBVYORMHYUJS-FRRDWIJNSA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923366958 644379478 /nfs/dbraw/zinc/37/94/78/644379478.db2.gz BNKXIHIDXDGJAL-WDEREUQCSA-N 1 3 232.368 0.735 20 0 BCADHO NCC(C[NH3+])NCc1ccc(-n2ccnc2)cc1 ZINC000923354029 644369595 /nfs/dbraw/zinc/36/95/95/644369595.db2.gz GVTRWTGBJRLOHX-UHFFFAOYSA-N 1 3 245.330 0.248 20 0 BCADHO NCC(C[NH3+])NCc1ccc(C(F)F)cc1 ZINC000923353837 644369696 /nfs/dbraw/zinc/36/96/96/644369696.db2.gz CEJNPAUVXQSVCX-UHFFFAOYSA-N 1 3 229.274 1.000 20 0 BCADHO NCC(CN)[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000923356536 644371930 /nfs/dbraw/zinc/37/19/30/644371930.db2.gz MWLIFZMOBVFQGQ-KBPBESRZSA-N 1 3 249.358 0.782 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923355190 644373173 /nfs/dbraw/zinc/37/31/73/644373173.db2.gz HIMZHQYEFZQPEP-QWHCGFSZSA-N 1 3 244.379 0.833 20 0 BCADHO NCC(CN)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000923357238 644376649 /nfs/dbraw/zinc/37/66/49/644376649.db2.gz VBXFTHJCRGYMTD-NSHDSACASA-N 1 3 227.352 0.354 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCO[C@H]1CCOC1 ZINC000923368236 644382090 /nfs/dbraw/zinc/38/20/90/644382090.db2.gz OJPXCKFOICBMPK-QWRGUYRKSA-N 1 3 230.352 0.755 20 0 BCADHO CSC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923371074 644384713 /nfs/dbraw/zinc/38/47/13/644384713.db2.gz VBKXREFGVYJJIT-IUCAKERBSA-N 1 3 220.382 0.673 20 0 BCADHO CC(C)OCC[C@@H](O)CN(C)C1CC([NH3+])C1 ZINC000923363291 644388358 /nfs/dbraw/zinc/38/83/58/644388358.db2.gz QRSJSHLHMMAINS-HTAVTVPLSA-N 1 3 230.352 0.584 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@]3(CC3(F)F)C2)C1 ZINC000923390010 644396339 /nfs/dbraw/zinc/39/63/39/644396339.db2.gz AUEDZRZNWZGZFB-AATLWQCWSA-N 1 3 232.274 0.568 20 0 BCADHO CSC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923413681 644415646 /nfs/dbraw/zinc/41/56/46/644415646.db2.gz XQRMNDZOWMZYCS-LSJOCFKGSA-N 1 3 230.377 0.664 20 0 BCADHO COC[C@@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413907 644416455 /nfs/dbraw/zinc/41/64/55/644416455.db2.gz JWJJLOUAQSJYCH-SDDRHHMPSA-N 1 3 228.336 0.068 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000923423607 644419997 /nfs/dbraw/zinc/41/99/97/644419997.db2.gz XWXDQUZLHZUWFC-VWYCJHECSA-N 1 3 230.352 0.488 20 0 BCADHO CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000923423607 644420006 /nfs/dbraw/zinc/42/00/06/644420006.db2.gz XWXDQUZLHZUWFC-VWYCJHECSA-N 1 3 230.352 0.488 20 0 BCADHO CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923419805 644425184 /nfs/dbraw/zinc/42/51/84/644425184.db2.gz CXTLLOZEBCCJRV-SDDRHHMPSA-N 1 3 244.379 0.878 20 0 BCADHO CC(C)OCC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923419805 644425187 /nfs/dbraw/zinc/42/51/87/644425187.db2.gz CXTLLOZEBCCJRV-SDDRHHMPSA-N 1 3 244.379 0.878 20 0 BCADHO C(C[NH+]1CCNCCNCC1)[C@@H]1CCCO1 ZINC000923460046 644443919 /nfs/dbraw/zinc/44/39/19/644443919.db2.gz OZXCEDNAQKXGCB-LBPRGKRZSA-N 1 3 227.352 0.050 20 0 BCADHO OCCCCCC[NH+]1CCNCCNCC1 ZINC000923461519 644445333 /nfs/dbraw/zinc/44/53/33/644445333.db2.gz QJQXMEBZNDIMMO-UHFFFAOYSA-N 1 3 229.368 0.034 20 0 BCADHO C[C@@H]1CN(Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923497308 644471069 /nfs/dbraw/zinc/47/10/69/644471069.db2.gz DOIDRTBAAJAOLV-GHMZBOCLSA-N 1 3 222.336 0.837 20 0 BCADHO C[C@@H]1CN(C[C@H](O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499336 644472161 /nfs/dbraw/zinc/47/21/61/644472161.db2.gz JYGKJQUWGDMLPD-VGMNWLOBSA-N 1 3 240.269 0.826 20 0 BCADHO CCCNC(=O)[C@H](C)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923497759 644474141 /nfs/dbraw/zinc/47/41/41/644474141.db2.gz DLAXMOLLGSCWRP-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CN(C[C@H]2C[C@@]23CCOC3)C[C@H]1[NH3+] ZINC000923507370 644475424 /nfs/dbraw/zinc/47/54/24/644475424.db2.gz BTFCQHUGECWZMX-DDHJBXDOSA-N 1 3 210.321 0.692 20 0 BCADHO c1n[nH]cc1CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515691 644479402 /nfs/dbraw/zinc/47/94/02/644479402.db2.gz KKSJOAXFQKZCST-NWDGAFQWSA-N 1 3 220.320 0.494 20 0 BCADHO c1nc2n(n1)[C@@H](CN1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923515854 644480983 /nfs/dbraw/zinc/48/09/83/644480983.db2.gz OXESKLIEQRKESY-QJPTWQEYSA-N 1 3 247.346 0.307 20 0 BCADHO COC(=O)CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522658 644486335 /nfs/dbraw/zinc/48/63/35/644486335.db2.gz XHAQDSOMTWYVCC-VHSXEESVSA-N 1 3 212.293 0.091 20 0 BCADHO COC[C@H]1COCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923556274 644499685 /nfs/dbraw/zinc/49/96/85/644499685.db2.gz FXZQBSDFCBQMDH-WOPDTQHZSA-N 1 3 228.336 0.461 20 0 BCADHO COC[C@@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516584 644691798 /nfs/dbraw/zinc/69/17/98/644691798.db2.gz NXMAWUIMMWOHSA-XQQFMLRXSA-N 1 3 244.379 0.894 20 0 BCADHO C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@@H](C)N1 ZINC000841855320 645230349 /nfs/dbraw/zinc/23/03/49/645230349.db2.gz MWKOJEXTPJDTEL-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO CC[C@@](C)(CC(=O)OC)NCCC[NH2+]C ZINC000843389975 645288832 /nfs/dbraw/zinc/28/88/32/645288832.db2.gz FPSCNUQJOBXKAP-NSHDSACASA-N 1 3 216.325 0.917 20 0 BCADHO CCO[C@H](CN[C@H]1COC[C@@H]1CC)C[NH+](C)C ZINC000926957638 645502225 /nfs/dbraw/zinc/50/22/25/645502225.db2.gz BSMDCLUFRIOFET-XQQFMLRXSA-N 1 3 244.379 0.968 20 0 BCADHO C[N@@H+]1CC[C@@H](NCCn2cncn2)CC1(C)C ZINC000858112665 645670278 /nfs/dbraw/zinc/67/02/78/645670278.db2.gz QXMRWXKNLQHYHL-LLVKDONJSA-N 1 3 237.351 0.741 20 0 BCADHO C[N@H+]1CC[C@@H](NCCn2cncn2)CC1(C)C ZINC000858112665 645670291 /nfs/dbraw/zinc/67/02/91/645670291.db2.gz QXMRWXKNLQHYHL-LLVKDONJSA-N 1 3 237.351 0.741 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C ZINC000928429403 645746234 /nfs/dbraw/zinc/74/62/34/645746234.db2.gz BXSMWUYHUAEVFG-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)OC1CC(NC[C@H](O)C[NH+](C)C)C1 ZINC000924995272 646153606 /nfs/dbraw/zinc/15/36/06/646153606.db2.gz VCHMGLDRLOFTSK-CXQJBGSLSA-N 1 3 230.352 0.455 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCn1cccn1 ZINC000925326278 646244263 /nfs/dbraw/zinc/24/42/63/646244263.db2.gz QIVSSSNMKOHEJF-FUNVUKJBSA-N 1 3 234.347 0.813 20 0 BCADHO C[C@H](CN1CCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925535977 646322692 /nfs/dbraw/zinc/32/26/92/646322692.db2.gz BGMIHEUUWYRKNM-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553482 646329559 /nfs/dbraw/zinc/32/95/59/646329559.db2.gz SLKNMBNEYVNIBL-WZRBSPASSA-N 1 3 239.363 0.047 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCc2n[nH]cc2C1 ZINC000925582218 646346534 /nfs/dbraw/zinc/34/65/34/646346534.db2.gz CYBAHMTYIQSIQS-DLOVCJGASA-N 1 3 234.347 0.997 20 0 BCADHO C1=CC[C@@H](CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925618613 646351894 /nfs/dbraw/zinc/35/18/94/646351894.db2.gz XAAMUQIOZJXWJV-VXGBXAGGSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000308732323 711529985 /nfs/dbraw/zinc/52/99/85/711529985.db2.gz WIYWHRBQTFBKAV-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO Cc1nnc(CCN[C@@H]2CC[NH2+]C23CCC3)[nH]1 ZINC000925633480 646378910 /nfs/dbraw/zinc/37/89/10/646378910.db2.gz XPZNFIYSVLXKRX-SNVBAGLBSA-N 1 3 235.335 0.530 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1N[C@@H]1CCc2nc[nH]c2C1 ZINC000925667153 646398774 /nfs/dbraw/zinc/39/87/74/646398774.db2.gz AEEOZKWAIYFIME-BXKDBHETSA-N 1 3 234.347 0.997 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1N[C@@H]1CCc2[nH]cnc2C1 ZINC000925667153 646398777 /nfs/dbraw/zinc/39/87/77/646398777.db2.gz AEEOZKWAIYFIME-BXKDBHETSA-N 1 3 234.347 0.997 20 0 BCADHO FC1(F)CCNC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925713960 646438042 /nfs/dbraw/zinc/43/80/42/646438042.db2.gz ZMDYMNNVBGLJRK-VHSXEESVSA-N 1 3 245.317 0.858 20 0 BCADHO C[C@H](N[C@H](CO)C[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000925767390 646467851 /nfs/dbraw/zinc/46/78/51/646467851.db2.gz OBQFDSZQHYVMNX-DLOVCJGASA-N 1 3 228.336 0.114 20 0 BCADHO OC[C@H](C[C@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000925768473 646468239 /nfs/dbraw/zinc/46/82/39/646468239.db2.gz VLJFRLLUQUBNBU-NWDGAFQWSA-N 1 3 228.336 0.258 20 0 BCADHO OC[C@H](C[C@H]1CCCO1)[NH2+]C1CCNCC1 ZINC000925768473 646468242 /nfs/dbraw/zinc/46/82/42/646468242.db2.gz VLJFRLLUQUBNBU-NWDGAFQWSA-N 1 3 228.336 0.258 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000925781846 646479759 /nfs/dbraw/zinc/47/97/59/646479759.db2.gz GTVSMFXSQJUOEP-FPQZTECRSA-N 1 3 223.364 0.667 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000925783093 646479843 /nfs/dbraw/zinc/47/98/43/646479843.db2.gz BXRPZZNEUOGUPW-LDMBFOFVSA-N 1 3 212.337 0.997 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000925783094 646480000 /nfs/dbraw/zinc/48/00/00/646480000.db2.gz BXRPZZNEUOGUPW-PZWNZHSQSA-N 1 3 212.337 0.997 20 0 BCADHO Cc1cc(CCN[C@H]2CCC[C@H]2C[NH3+])nn1C ZINC000925834273 646502691 /nfs/dbraw/zinc/50/26/91/646502691.db2.gz MEWHRCKZTYPZPR-AAEUAGOBSA-N 1 3 236.363 0.988 20 0 BCADHO Cc1cc(CC[NH2+][C@H]2CCC[C@H]2CN)nn1C ZINC000925834273 646502687 /nfs/dbraw/zinc/50/26/87/646502687.db2.gz MEWHRCKZTYPZPR-AAEUAGOBSA-N 1 3 236.363 0.988 20 0 BCADHO C(CO[C@H]1CCOC1)N[C@@H]1CCC[NH2+]CC1 ZINC000925876164 646526237 /nfs/dbraw/zinc/52/62/37/646526237.db2.gz XYMDWJRFCXNSLY-NEPJUHHUSA-N 1 3 228.336 0.524 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000925891577 646533753 /nfs/dbraw/zinc/53/37/53/646533753.db2.gz WDZZPLJVFZWGBB-JFGNBEQYSA-N 1 3 238.335 0.171 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000925891576 646534086 /nfs/dbraw/zinc/53/40/86/646534086.db2.gz WDZZPLJVFZWGBB-JBLDHEPKSA-N 1 3 238.335 0.171 20 0 BCADHO CC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720904033 711686894 /nfs/dbraw/zinc/68/68/94/711686894.db2.gz WBSXLBUSQIVWNG-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702278535 711868892 /nfs/dbraw/zinc/86/88/92/711868892.db2.gz SPSBFOKJBWYUCW-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO CC[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702278535 711868895 /nfs/dbraw/zinc/86/88/95/711868895.db2.gz SPSBFOKJBWYUCW-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO CO[C@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000721917932 711919439 /nfs/dbraw/zinc/91/94/39/711919439.db2.gz CLLOSTVPNDJUET-KKOKHZNYSA-N 1 3 210.321 0.563 20 0 BCADHO CNC(=O)CCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000700236694 711988272 /nfs/dbraw/zinc/98/82/72/711988272.db2.gz GWYNSZYDYOPNAO-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CO[C@@](C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000705352001 712130204 /nfs/dbraw/zinc/13/02/04/712130204.db2.gz HITUCWJNUNEKMZ-PSEXLTFBSA-N 1 3 242.363 0.599 20 0 BCADHO [NH3+][C@H]1CC[C@H](C(=O)NCCN2CCCC2)CC1 ZINC000710870760 712260962 /nfs/dbraw/zinc/26/09/62/712260962.db2.gz QSHCAHYINJODBV-HAQNSBGRSA-N 1 3 239.363 0.716 20 0 BCADHO CN1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000712558490 712445539 /nfs/dbraw/zinc/44/55/39/712445539.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000712558490 712445541 /nfs/dbraw/zinc/44/55/41/712445541.db2.gz PQRCPAHXDWTULI-YNEHKIRRSA-N 1 3 223.364 0.907 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@@H+]1CCC[C@H]1C ZINC000380144403 712699154 /nfs/dbraw/zinc/69/91/54/712699154.db2.gz WKXYSXIHSDOCQF-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@H+]1CCC[C@H]1C ZINC000380144403 712699155 /nfs/dbraw/zinc/69/91/55/712699155.db2.gz WKXYSXIHSDOCQF-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029517 712800515 /nfs/dbraw/zinc/80/05/15/712800515.db2.gz MVPOBBQROZFIMN-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CCOCCN(C)CCc1ccns1 ZINC000719884439 712826452 /nfs/dbraw/zinc/82/64/52/712826452.db2.gz DDUMKMQBCBRZOT-UHFFFAOYSA-N 1 3 243.376 0.853 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720894653 712876195 /nfs/dbraw/zinc/87/61/95/712876195.db2.gz WGWKBLQNRYCSSF-HBNTYKKESA-N 1 3 225.336 0.419 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720897538 712876473 /nfs/dbraw/zinc/87/64/73/712876473.db2.gz HTKCPCDZEOIPMH-HBNTYKKESA-N 1 3 225.336 0.289 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720897462 712876483 /nfs/dbraw/zinc/87/64/83/712876483.db2.gz HSURDQRJWJVYGB-NWDGAFQWSA-N 1 3 239.363 0.680 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720904914 712877284 /nfs/dbraw/zinc/87/72/84/712877284.db2.gz XSTFVFIQPBRWPL-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720896722 712876925 /nfs/dbraw/zinc/87/69/25/712876925.db2.gz DHSIGCVARHPOKH-TUAOUCFPSA-N 1 3 239.363 0.665 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963270 712883195 /nfs/dbraw/zinc/88/31/95/712883195.db2.gz SRMCYHGQBVNWSW-DDHJBXDOSA-N 1 3 212.337 0.864 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963272 712883312 /nfs/dbraw/zinc/88/33/12/712883312.db2.gz SRMCYHGQBVNWSW-FIQHERPVSA-N 1 3 212.337 0.864 20 0 BCADHO CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028044 710716682 /nfs/dbraw/zinc/71/66/82/710716682.db2.gz LZKYIVLIBMDYPU-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028044 710716683 /nfs/dbraw/zinc/71/66/83/710716683.db2.gz LZKYIVLIBMDYPU-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1CN(Cc2ccn(C)n2)C[C@H]1CC[NH3+] ZINC000723881577 710733239 /nfs/dbraw/zinc/73/32/39/710733239.db2.gz ASMWEIGFQDEWFG-GHMZBOCLSA-N 1 3 222.336 0.837 20 0 BCADHO CC[C@]1(NC[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125729 710978243 /nfs/dbraw/zinc/97/82/43/710978243.db2.gz ULBUEWMYUSRYEA-OLZOCXBDSA-N 1 3 242.363 0.602 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCCC1 ZINC000384809572 710996632 /nfs/dbraw/zinc/99/66/32/710996632.db2.gz FCBJGAQXSARSDB-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CC2CC2)C1 ZINC000389664473 711085759 /nfs/dbraw/zinc/08/57/59/711085759.db2.gz STKMIYKSQJWWQN-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CC2CC2)C1 ZINC000389664473 711085763 /nfs/dbraw/zinc/08/57/63/711085763.db2.gz STKMIYKSQJWWQN-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000390550067 711125016 /nfs/dbraw/zinc/12/50/16/711125016.db2.gz XEXRZBJYLHUUEF-SNVBAGLBSA-N 1 3 235.322 0.995 20 0 BCADHO CC(C)(C)[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000393977332 711179932 /nfs/dbraw/zinc/17/99/32/711179932.db2.gz XTNFHIWPDWMYRZ-VXGBXAGGSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCN1CCOCC1 ZINC000396615093 711361562 /nfs/dbraw/zinc/36/15/62/711361562.db2.gz SCBMUDAEABAILO-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[C@H](O)C1 ZINC000396575724 711355846 /nfs/dbraw/zinc/35/58/46/711355846.db2.gz CGVXGBGBNDYMMC-BJDJZHNGSA-N 1 3 212.337 0.878 20 0 BCADHO Cc1nccn1CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396609327 711359167 /nfs/dbraw/zinc/35/91/67/711359167.db2.gz AYJQBAHEPHQRJV-PWSUYJOCSA-N 1 3 222.336 0.922 20 0 BCADHO Cc1nccn1CC[NH2+][C@H]1CCCN[C@@H]1C ZINC000396609327 711359173 /nfs/dbraw/zinc/35/91/73/711359173.db2.gz AYJQBAHEPHQRJV-PWSUYJOCSA-N 1 3 222.336 0.922 20 0 BCADHO COC[C@H](NC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000397929315 711396972 /nfs/dbraw/zinc/39/69/72/711396972.db2.gz AXKRSKDAWBAKHN-USWWRNFRSA-N 1 3 212.337 0.857 20 0 BCADHO C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](O)CN ZINC000399257266 711424221 /nfs/dbraw/zinc/42/42/21/711424221.db2.gz MRRDVTOCEAARAK-HTQZYQBOSA-N 1 3 241.162 0.822 20 0 BCADHO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](O)CN ZINC000399257266 711424222 /nfs/dbraw/zinc/42/42/22/711424222.db2.gz MRRDVTOCEAARAK-HTQZYQBOSA-N 1 3 241.162 0.822 20 0 BCADHO CN(CC[C@@H]1CC1(Cl)Cl)C[C@H](O)C[NH3+] ZINC000399257266 711424225 /nfs/dbraw/zinc/42/42/25/711424225.db2.gz MRRDVTOCEAARAK-HTQZYQBOSA-N 1 3 241.162 0.822 20 0 BCADHO CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001045089743 710835420 /nfs/dbraw/zinc/83/54/20/710835420.db2.gz NVSIYUTWJQPKHC-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1COCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000383035325 710841470 /nfs/dbraw/zinc/84/14/70/710841470.db2.gz FMKRPXVAQZEKKN-VWBGDHHKSA-N 1 3 236.359 0.997 20 0 BCADHO CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082630 710894500 /nfs/dbraw/zinc/89/45/00/710894500.db2.gz KORUBOIFBCBHGD-PHIMTYICSA-N 1 3 248.330 0.362 20 0 BCADHO CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001049082630 710894506 /nfs/dbraw/zinc/89/45/06/710894506.db2.gz KORUBOIFBCBHGD-PHIMTYICSA-N 1 3 248.330 0.362 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000383635704 710984990 /nfs/dbraw/zinc/98/49/90/710984990.db2.gz YCXUBYRMPXAIMJ-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000383635704 710984993 /nfs/dbraw/zinc/98/49/93/710984993.db2.gz YCXUBYRMPXAIMJ-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCOCCO ZINC000396726470 711369640 /nfs/dbraw/zinc/36/96/40/711369640.db2.gz YWLCUEQROGNJBA-WDEREUQCSA-N 1 3 216.325 0.116 20 0 BCADHO C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000308732322 711530345 /nfs/dbraw/zinc/53/03/45/711530345.db2.gz WIYWHRBQTFBKAV-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CN(CCO[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000724921819 711628593 /nfs/dbraw/zinc/62/85/93/711628593.db2.gz NHSONHHTXHJTLE-LLVKDONJSA-N 1 3 230.352 0.709 20 0 BCADHO CC[N@@H+]1CC[C@@H](NC[C@H](O)COC)[C@@H](C)C1 ZINC000309646017 711659484 /nfs/dbraw/zinc/65/94/84/711659484.db2.gz MFRHOGXEXLBVKN-SDDRHHMPSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@@H](NC[C@H](O)COC)[C@@H](C)C1 ZINC000309646017 711659486 /nfs/dbraw/zinc/65/94/86/711659486.db2.gz MFRHOGXEXLBVKN-SDDRHHMPSA-N 1 3 230.352 0.314 20 0 BCADHO OCC[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310321528 711704434 /nfs/dbraw/zinc/70/44/34/711704434.db2.gz UYCVYZUIKLBKCR-CHWSQXEVSA-N 1 3 242.363 0.290 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC000226539957 711958159 /nfs/dbraw/zinc/95/81/59/711958159.db2.gz VYXREODAAHPIOT-PWSUYJOCSA-N 1 3 222.336 0.632 20 0 BCADHO [NH3+][C@H]1C[C@H](NCCOCCF)C12CCC2 ZINC000702654678 712058764 /nfs/dbraw/zinc/05/87/64/712058764.db2.gz QBXAQOBNAYBNSL-UWVGGRQHSA-N 1 3 216.300 0.832 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000703535352 712078005 /nfs/dbraw/zinc/07/80/05/712078005.db2.gz PMWQVEVTMRVRSK-BETUJISGSA-N 1 3 246.358 0.941 20 0 BCADHO C[C@@H](CN1CC[C@@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567664 712150070 /nfs/dbraw/zinc/15/00/70/712150070.db2.gz AFPRHAMFSPIXGF-WDEREUQCSA-N 1 3 248.392 0.338 20 0 BCADHO CC[C@@H](CO)[NH2+]CC[C@@H]1CCCN1C ZINC000707891352 712172451 /nfs/dbraw/zinc/17/24/51/712172451.db2.gz CUBIMLVGOAXZBL-QWRGUYRKSA-N 1 3 200.326 0.831 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000709272171 712219067 /nfs/dbraw/zinc/21/90/67/712219067.db2.gz BOQVEVQNEMYVLG-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@@H]1CCOC1)[NH2+]2 ZINC000709385169 712220541 /nfs/dbraw/zinc/22/05/41/712220541.db2.gz JANBVFBNQPADCW-IYKVGLELSA-N 1 3 210.321 0.894 20 0 BCADHO COC1(OC)CC[C@H]1NCC1=CC[N@H+](C)CC1 ZINC000710986496 712271707 /nfs/dbraw/zinc/27/17/07/712271707.db2.gz DWIOMSVAGVPYDX-GFCCVEGCSA-N 1 3 240.347 0.989 20 0 BCADHO COC1(OC)CC[C@H]1NCC1=CC[N@@H+](C)CC1 ZINC000710986496 712271708 /nfs/dbraw/zinc/27/17/08/712271708.db2.gz DWIOMSVAGVPYDX-GFCCVEGCSA-N 1 3 240.347 0.989 20 0 BCADHO CC(C)(C)CNC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923479722 712334747 /nfs/dbraw/zinc/33/47/47/712334747.db2.gz SDGSEFQLCUXZQR-LLVKDONJSA-N 1 3 241.379 0.819 20 0 BCADHO CCN(CCCCCC[NH3+])CC(=O)NC ZINC000379775225 712398521 /nfs/dbraw/zinc/39/85/21/712398521.db2.gz COQSOVBSEBPOQL-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO C[C@H]1CCCN(CCn2cnnn2)[C@@H]1CC[NH3+] ZINC000712574857 712448039 /nfs/dbraw/zinc/44/80/39/712448039.db2.gz DNJOXHMOKWJFBS-WDEREUQCSA-N 1 3 238.339 0.122 20 0 BCADHO CCN1CC[C@@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712576967 712448349 /nfs/dbraw/zinc/44/83/49/712448349.db2.gz COHMWTPILNNNBQ-OLZOCXBDSA-N 1 3 241.379 0.127 20 0 BCADHO CC1(CN[C@H]2CCC[C@H]([NH3+])C2)OCCO1 ZINC000716819649 712576824 /nfs/dbraw/zinc/57/68/24/712576824.db2.gz NUHVFPKZMZHNCL-UWVGGRQHSA-N 1 3 214.309 0.609 20 0 BCADHO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc(N)n1 ZINC000719364741 712806245 /nfs/dbraw/zinc/80/62/45/712806245.db2.gz GSOXXUXUIXEJAH-IUCAKERBSA-N 1 3 221.308 0.872 20 0 BCADHO Cc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)nc(N)n1 ZINC000719364741 712806244 /nfs/dbraw/zinc/80/62/44/712806244.db2.gz GSOXXUXUIXEJAH-IUCAKERBSA-N 1 3 221.308 0.872 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720888201 712874194 /nfs/dbraw/zinc/87/41/94/712874194.db2.gz MHRJRNGKPGXDPE-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903827 712874873 /nfs/dbraw/zinc/87/48/73/712874873.db2.gz VVXRJURUSZHLFI-UTUOFQBUSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903798 712875191 /nfs/dbraw/zinc/87/51/91/712875191.db2.gz VVXRJURUSZHLFI-SDDRHHMPSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890770 712875253 /nfs/dbraw/zinc/87/52/53/712875253.db2.gz UEEVYSPVVMPREQ-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CNCCO1 ZINC000720904154 712877311 /nfs/dbraw/zinc/87/73/11/712877311.db2.gz YZZQTVNSDLHGOC-JHJVBQTASA-N 1 3 239.363 0.143 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CNCCO1 ZINC000720904154 712877313 /nfs/dbraw/zinc/87/73/13/712877313.db2.gz YZZQTVNSDLHGOC-JHJVBQTASA-N 1 3 239.363 0.143 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CNCCO1 ZINC000720904160 712877401 /nfs/dbraw/zinc/87/74/01/712877401.db2.gz YZZQTVNSDLHGOC-YNEHKIRRSA-N 1 3 239.363 0.143 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CNCCO1 ZINC000720904160 712877403 /nfs/dbraw/zinc/87/74/03/712877403.db2.gz YZZQTVNSDLHGOC-YNEHKIRRSA-N 1 3 239.363 0.143 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649318586 398141829 /nfs/dbraw/zinc/14/18/29/398141829.db2.gz XPXMAYAQURUYHE-KXNHARMFSA-N 1 3 237.347 0.289 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649318558 398141840 /nfs/dbraw/zinc/14/18/40/398141840.db2.gz VVVKZPUCQAVNOG-WYUUTHIRSA-N 1 3 237.347 0.004 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000361739781 168323973 /nfs/dbraw/zinc/32/39/73/168323973.db2.gz YZNSKYDQWRSICI-LLVKDONJSA-N 1 3 231.315 0.322 20 0 BCADHO C[NH2+]CCC(=O)N1CCCN(C(C)C)CC1 ZINC000257789464 349483485 /nfs/dbraw/zinc/48/34/85/349483485.db2.gz XAFPYIGTJVFJDR-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000062972780 349502905 /nfs/dbraw/zinc/50/29/05/349502905.db2.gz ZLGCNEAGDMCYRP-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCN1C ZINC000649333370 398149874 /nfs/dbraw/zinc/14/98/74/398149874.db2.gz PHKGJGFXJPZLFN-OOCWMUITSA-N 1 3 237.347 0.336 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000649359849 398172658 /nfs/dbraw/zinc/17/26/58/398172658.db2.gz FPZNKMCNEUWCFK-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH3+] ZINC000649359848 398172753 /nfs/dbraw/zinc/17/27/53/398172753.db2.gz FPZNKMCNEUWCFK-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO COCC(C)(C)N1CCN(C[C@H](C)[NH3+])CC1 ZINC000424289827 398178992 /nfs/dbraw/zinc/17/89/92/398178992.db2.gz CIZBFHDACICGPY-NSHDSACASA-N 1 3 229.368 0.376 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CN1C1CC1 ZINC000649348146 398161442 /nfs/dbraw/zinc/16/14/42/398161442.db2.gz AEBNGQIYOWIDST-ZDHGETPDSA-N 1 3 249.358 0.478 20 0 BCADHO C[C@H](NCCC[NH3+])c1ccc(-n2cnnn2)cc1 ZINC000423174826 398164182 /nfs/dbraw/zinc/16/41/82/398164182.db2.gz CDOVWWOHNLLQPC-JTQLQIEISA-N 1 3 246.318 0.662 20 0 BCADHO COC[C@@H](C)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000379763100 398164779 /nfs/dbraw/zinc/16/47/79/398164779.db2.gz FYFGWEKNOUFXIW-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO COC[C@H](C)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000379763095 398164966 /nfs/dbraw/zinc/16/49/66/398164966.db2.gz FYFGWEKNOUFXIW-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CCN(CC)C(=O)[C@@H](C)[NH2+]CC1(N)CCC1 ZINC000342136623 398189381 /nfs/dbraw/zinc/18/93/81/398189381.db2.gz HLGCSKKBZYZXJN-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)(C[NH3+])NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331763281 187326382 /nfs/dbraw/zinc/32/63/82/187326382.db2.gz KURRNYLHZLTLMI-VIFPVBQESA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000390669960 398200940 /nfs/dbraw/zinc/20/09/40/398200940.db2.gz SOUCXRMSIYXURL-KOLCDFICSA-N 1 3 225.336 0.134 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)N(C)C ZINC000576280345 365549910 /nfs/dbraw/zinc/54/99/10/365549910.db2.gz NFYKZVIHNQHGAZ-LLVKDONJSA-N 1 3 215.341 0.428 20 0 BCADHO CCC[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436731 398207574 /nfs/dbraw/zinc/20/75/74/398207574.db2.gz MCLCXVVEDZLVMN-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000576343410 365570257 /nfs/dbraw/zinc/57/02/57/365570257.db2.gz QHUSMQUVGWPVOI-CYBMUJFWSA-N 1 3 237.347 0.341 20 0 BCADHO Cc1noc(CCCN2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000576346686 365572221 /nfs/dbraw/zinc/57/22/21/365572221.db2.gz VNBGPJQGKZHYHM-GXSJLCMTSA-N 1 3 238.335 0.980 20 0 BCADHO C[C@H]1C[C@H](NC(=O)N(C)CCC[NH3+])CCN1C ZINC000576361081 365578892 /nfs/dbraw/zinc/57/88/92/365578892.db2.gz MMLJVUSBFHDLNO-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](CN[C@@](C)(C[NH3+])C1CC1)CS(C)(=O)=O ZINC000430563908 398227676 /nfs/dbraw/zinc/22/76/76/398227676.db2.gz XYRDOUNNWFLZOS-KOLCDFICSA-N 1 3 248.392 0.384 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000132956746 398229926 /nfs/dbraw/zinc/22/99/26/398229926.db2.gz NHOBNWLZICSKHF-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO CN(CC(=O)NCC[NH+](C)C)C1CCC1 ZINC000629943588 361788035 /nfs/dbraw/zinc/78/80/35/361788035.db2.gz QUBMEJBHTAQYCR-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCCNCC1 ZINC000418443931 192036770 /nfs/dbraw/zinc/03/67/70/192036770.db2.gz LPCXSDPXTHQCFG-NSHDSACASA-N 1 3 242.367 0.509 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000576475406 365605359 /nfs/dbraw/zinc/60/53/59/365605359.db2.gz CXDOKPIRPDBRGQ-AGIUHOORSA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C ZINC000576475406 365605363 /nfs/dbraw/zinc/60/53/63/365605363.db2.gz CXDOKPIRPDBRGQ-AGIUHOORSA-N 1 3 243.395 0.323 20 0 BCADHO CN(C)CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418432355 192037555 /nfs/dbraw/zinc/03/75/55/192037555.db2.gz UFNJHTUDHDCPRH-QWRGUYRKSA-N 1 3 242.367 0.365 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192248 398257473 /nfs/dbraw/zinc/25/74/73/398257473.db2.gz ZCAINIYBSGLVEA-GFCCVEGCSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000576705147 365664290 /nfs/dbraw/zinc/66/42/90/365664290.db2.gz RWWVGVVQIZCLHO-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN1CC[C@H](C)C1 ZINC000576707467 365665471 /nfs/dbraw/zinc/66/54/71/365665471.db2.gz PHUUBPDOMUWFTJ-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418468343 192038260 /nfs/dbraw/zinc/03/82/60/192038260.db2.gz JAZWQWXXLRNMDG-NSHDSACASA-N 1 3 244.383 0.563 20 0 BCADHO COCC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000381522837 398259852 /nfs/dbraw/zinc/25/98/52/398259852.db2.gz VHEPZTIGUXEJHH-VXGBXAGGSA-N 1 3 224.348 0.954 20 0 BCADHO CCOC[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000381603471 398266455 /nfs/dbraw/zinc/26/64/55/398266455.db2.gz OVTDLFWDNXOODW-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417781418 398267616 /nfs/dbraw/zinc/26/76/16/398267616.db2.gz JSNBVSLUSBBJIE-NXEZZACHSA-N 1 3 213.325 0.100 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417781421 398267766 /nfs/dbraw/zinc/26/77/66/398267766.db2.gz JSNBVSLUSBBJIE-ZJUUUORDSA-N 1 3 213.325 0.100 20 0 BCADHO CCC[NH2+]CCNC(=O)NC(C)(C)CN(C)C ZINC000418485852 192041083 /nfs/dbraw/zinc/04/10/83/192041083.db2.gz DTMAPOJBVYTORW-UHFFFAOYSA-N 1 3 244.383 0.625 20 0 BCADHO CCC[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418493548 192042644 /nfs/dbraw/zinc/04/26/44/192042644.db2.gz YSHKHDJSAKCTOU-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO CCC[NH+]1CCC(NCCC(=O)N(C)C)CC1 ZINC000037751442 538963946 /nfs/dbraw/zinc/96/39/46/538963946.db2.gz YLLMPYUPHSOXMZ-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000165422724 361841115 /nfs/dbraw/zinc/84/11/15/361841115.db2.gz OFOAUTAFIAEXLA-RKDXNWHRSA-N 1 3 201.314 0.038 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](C)N)C(C)C ZINC000167201267 361862024 /nfs/dbraw/zinc/86/20/24/361862024.db2.gz XFDNYTVNFKYYOT-SECBINFHSA-N 1 3 201.314 0.180 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](C)N)C(C)C ZINC000167201267 361862030 /nfs/dbraw/zinc/86/20/30/361862030.db2.gz XFDNYTVNFKYYOT-SECBINFHSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517742432 342746008 /nfs/dbraw/zinc/74/60/08/342746008.db2.gz DZAVOMHXKHOWIH-OUAUKWLOSA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@H](C(=O)NCC1([NH2+]C)CCC1)N(C)C ZINC000630002611 361889840 /nfs/dbraw/zinc/88/98/40/361889840.db2.gz XFMPJOYQKOQIPQ-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](CNC(=O)N(C)CCC[NH3+])N(C)C1CC1 ZINC000580293107 346861369 /nfs/dbraw/zinc/86/13/69/346861369.db2.gz BOUTYLLSOYGPNZ-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH+](C)C ZINC000630006127 361896666 /nfs/dbraw/zinc/89/66/66/361896666.db2.gz FHQVSBNXKSEBEA-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N(C)CCN(C)C1CC1 ZINC000418511904 192045643 /nfs/dbraw/zinc/04/56/43/192045643.db2.gz DYJBSZSCBFKWFC-SECBINFHSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464111 398288812 /nfs/dbraw/zinc/28/88/12/398288812.db2.gz HSZHRBRNAHHVIQ-MWLCHTKSSA-N 1 3 225.336 0.243 20 0 BCADHO Cc1cc(NCCN2CC[C@H](O)C2)cc[nH+]1 ZINC000624774001 342827372 /nfs/dbraw/zinc/82/73/72/342827372.db2.gz MJQFWWKVBSWFGS-LBPRGKRZSA-N 1 3 221.304 0.290 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000379894629 538980900 /nfs/dbraw/zinc/98/09/00/538980900.db2.gz BWGWBMQPQVPWEE-LLVKDONJSA-N 1 3 213.325 0.135 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000379894629 538980902 /nfs/dbraw/zinc/98/09/02/538980902.db2.gz BWGWBMQPQVPWEE-LLVKDONJSA-N 1 3 213.325 0.135 20 0 BCADHO CN(C)C(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000379894629 538980904 /nfs/dbraw/zinc/98/09/04/538980904.db2.gz BWGWBMQPQVPWEE-LLVKDONJSA-N 1 3 213.325 0.135 20 0 BCADHO CC(C)(C)[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000380057201 538984454 /nfs/dbraw/zinc/98/44/54/538984454.db2.gz YOSFLACDYHDPMZ-GMTAPVOTSA-N 1 3 212.337 0.545 20 0 BCADHO CN(C)CCN1CCC([NH2+]C2CSC2)CC1 ZINC000390434935 539021450 /nfs/dbraw/zinc/02/14/50/539021450.db2.gz BMKNQTNUKYCLKO-UHFFFAOYSA-N 1 3 243.420 0.717 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000390618664 539026599 /nfs/dbraw/zinc/02/65/99/539026599.db2.gz HRVZOCJCULIFPX-FDYHWXHSSA-N 1 3 224.348 0.953 20 0 BCADHO OC1CC[NH+](CCCNC2CSC2)CC1 ZINC000389945966 539019115 /nfs/dbraw/zinc/01/91/15/539019115.db2.gz QQQKJVDTDTWNJG-UHFFFAOYSA-N 1 3 230.377 0.538 20 0 BCADHO CC[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041721 398300187 /nfs/dbraw/zinc/30/01/87/398300187.db2.gz WKADYBDACUZWDS-NSHDSACASA-N 1 3 227.352 0.713 20 0 BCADHO CCO[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096995 342852011 /nfs/dbraw/zinc/85/20/11/342852011.db2.gz IBHZEOMKLHLXTG-FRRDWIJNSA-N 1 3 224.348 0.953 20 0 BCADHO CCO[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096998 342852252 /nfs/dbraw/zinc/85/22/52/342852252.db2.gz IBHZEOMKLHLXTG-RWMBFGLXSA-N 1 3 224.348 0.953 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H](N)C1CCC1 ZINC000399170138 398304492 /nfs/dbraw/zinc/30/44/92/398304492.db2.gz GEJKISSCCHRLCJ-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236799771 398316765 /nfs/dbraw/zinc/31/67/65/398316765.db2.gz PHGCJHRLZJBWFF-CYBMUJFWSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)N(C)C ZINC000038089215 398335957 /nfs/dbraw/zinc/33/59/57/398335957.db2.gz QJTLHBCIAXWPKM-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)[C@H](C)[NH3+] ZINC000156911562 398339813 /nfs/dbraw/zinc/33/98/13/398339813.db2.gz WAYFBENRTKQFMQ-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N(C)CCN(C)C1CC1 ZINC000418609743 192055663 /nfs/dbraw/zinc/05/56/63/192055663.db2.gz DYJBSZSCBFKWFC-VIFPVBQESA-N 1 3 228.340 0.069 20 0 BCADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)CNC ZINC000019512518 342950635 /nfs/dbraw/zinc/95/06/35/342950635.db2.gz FKGPBGDKPOKRAV-LLVKDONJSA-N 1 3 229.368 0.833 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(N)=O)C1 ZINC000580314398 346896985 /nfs/dbraw/zinc/89/69/85/346896985.db2.gz PNYJPDBGLZTHNJ-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000580314398 346896987 /nfs/dbraw/zinc/89/69/87/346896987.db2.gz PNYJPDBGLZTHNJ-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000580312932 346897190 /nfs/dbraw/zinc/89/71/90/346897190.db2.gz PBDNUUOFFOUJLK-VLEAKVRGSA-N 1 3 227.352 0.603 20 0 BCADHO CSC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000580314449 346897227 /nfs/dbraw/zinc/89/72/27/346897227.db2.gz SQMSBNYJMSNCSP-CMPLNLGQSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000580314449 346897230 /nfs/dbraw/zinc/89/72/30/346897230.db2.gz SQMSBNYJMSNCSP-CMPLNLGQSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000580314449 346897233 /nfs/dbraw/zinc/89/72/33/346897233.db2.gz SQMSBNYJMSNCSP-CMPLNLGQSA-N 1 3 244.404 0.784 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000040503550 346903559 /nfs/dbraw/zinc/90/35/59/346903559.db2.gz GHTHKXZUQYQZOI-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CCNCCC(N)=O)[NH+]1CCCCC1 ZINC000581425486 346906037 /nfs/dbraw/zinc/90/60/37/346906037.db2.gz XXCNWKWEWBBWJM-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H](CC[NH2+]CCC(N)=O)N1CCCCC1 ZINC000581425486 346906038 /nfs/dbraw/zinc/90/60/38/346906038.db2.gz XXCNWKWEWBBWJM-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCCN2CCOCC2)C1 ZINC000351849743 136257903 /nfs/dbraw/zinc/25/79/03/136257903.db2.gz HAWZFJMUTOTTTH-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCCN2CCOCC2)C1 ZINC000351849742 136257526 /nfs/dbraw/zinc/25/75/26/136257526.db2.gz HAWZFJMUTOTTTH-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050463415 343022391 /nfs/dbraw/zinc/02/23/91/343022391.db2.gz DTKGWOUAULEVTC-MNOVXSKESA-N 1 3 227.352 0.380 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368704029 187220619 /nfs/dbraw/zinc/22/06/19/187220619.db2.gz MTUYSEYHJLCXFH-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373044004 187223849 /nfs/dbraw/zinc/22/38/49/187223849.db2.gz RWVOHIQVKYIYEI-GRYCIOLGSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584882024 343083845 /nfs/dbraw/zinc/08/38/45/343083845.db2.gz XTYNVBBSKZURHJ-SCZZXKLOSA-N 1 3 209.297 0.468 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237049559 343121988 /nfs/dbraw/zinc/12/19/88/343121988.db2.gz HMZYIDYEKRSSII-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237049559 343121990 /nfs/dbraw/zinc/12/19/90/343121990.db2.gz HMZYIDYEKRSSII-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000237046716 343122073 /nfs/dbraw/zinc/12/20/73/343122073.db2.gz KHQMXKDIPVLAJX-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)(N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236793335 343111173 /nfs/dbraw/zinc/11/11/73/343111173.db2.gz GNBLAWMPSWBIBJ-VIFPVBQESA-N 1 3 213.325 0.230 20 0 BCADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)Cn1cccn1 ZINC000049556992 343111592 /nfs/dbraw/zinc/11/15/92/343111592.db2.gz IORUFOHZFBJFKW-VXGBXAGGSA-N 1 3 240.351 0.174 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092956420 343150291 /nfs/dbraw/zinc/15/02/91/343150291.db2.gz DRXAURSSEIQYSS-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000237407936 343138199 /nfs/dbraw/zinc/13/81/99/343138199.db2.gz WFNAPAKLWLVHNH-CYZMBNFOSA-N 1 3 247.342 0.882 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000418690605 192061135 /nfs/dbraw/zinc/06/11/35/192061135.db2.gz CXPIMZZWKVLGPS-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](C(=O)NCCC[NH3+])[C@H](N)c1ccccc1 ZINC000131714357 343184555 /nfs/dbraw/zinc/18/45/55/343184555.db2.gz NRGAZYGDKLXEOP-PWSUYJOCSA-N 1 3 235.331 0.788 20 0 BCADHO C[C@H](CN1CCOCC1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093211327 343151189 /nfs/dbraw/zinc/15/11/89/343151189.db2.gz VTAOTEQWIJLMCJ-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000093211327 343151190 /nfs/dbraw/zinc/15/11/90/343151190.db2.gz VTAOTEQWIJLMCJ-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H](NC(=O)CNC1CC1)C(C)(C)C[NH+](C)C ZINC000237601743 343157743 /nfs/dbraw/zinc/15/77/43/343157743.db2.gz VHUHRRMDKKHXLG-SNVBAGLBSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418693871 192061057 /nfs/dbraw/zinc/06/10/57/192061057.db2.gz HLSUUKZIHPZAMC-DCAQKATOSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CCCCCC1 ZINC000156740377 343198691 /nfs/dbraw/zinc/19/86/91/343198691.db2.gz KKXFUMLQMSVJDM-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000161081676 343203855 /nfs/dbraw/zinc/20/38/55/343203855.db2.gz IEZDGSFOMDCTSF-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO N[C@@H](CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000237963473 343220690 /nfs/dbraw/zinc/22/06/90/343220690.db2.gz FDXULIYFYJGCEQ-ZDUSSCGKSA-N 1 3 247.342 0.802 20 0 BCADHO CN[C@@H](C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000132462340 343188005 /nfs/dbraw/zinc/18/80/05/343188005.db2.gz PZRQJXBKXIDRCX-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000043588270 343225361 /nfs/dbraw/zinc/22/53/61/343225361.db2.gz GGJZWAXVZRGFBU-LBPRGKRZSA-N 1 3 239.363 0.588 20 0 BCADHO CCC[C@@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471787 136281585 /nfs/dbraw/zinc/28/15/85/136281585.db2.gz RRDBNGUAIGXKKJ-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@H]1CC[C@@H](C)O1 ZINC000634688589 343249094 /nfs/dbraw/zinc/24/90/94/343249094.db2.gz XAZAZEZELMXZQU-VXGBXAGGSA-N 1 3 230.352 0.722 20 0 BCADHO CCN1CC[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000070616954 343334060 /nfs/dbraw/zinc/33/40/60/343334060.db2.gz ZRTGNIQWHZNXLW-LLVKDONJSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000335619754 136296851 /nfs/dbraw/zinc/29/68/51/136296851.db2.gz SJHXIKQXDUKOTC-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CCN1CC[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000070616955 343334311 /nfs/dbraw/zinc/33/43/11/343334311.db2.gz ZRTGNIQWHZNXLW-NSHDSACASA-N 1 3 212.337 0.954 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN(C)C1CC1 ZINC000069840279 343292769 /nfs/dbraw/zinc/29/27/69/343292769.db2.gz WCJPFNHLONEAKM-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335285589 136292912 /nfs/dbraw/zinc/29/29/12/136292912.db2.gz MOAWKLNDWUCICO-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335632165 136300075 /nfs/dbraw/zinc/30/00/75/136300075.db2.gz SZRKVDHGMIOFJL-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CCC2(CC[NH2+]2)CC1 ZINC000335629754 136300172 /nfs/dbraw/zinc/30/01/72/136300172.db2.gz BSFVRXDGDRXDQQ-NSHDSACASA-N 1 3 237.347 0.483 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000335661426 136314869 /nfs/dbraw/zinc/31/48/69/136314869.db2.gz DELMKURPCDPDAO-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO COCCOCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166230929 136315725 /nfs/dbraw/zinc/31/57/25/136315725.db2.gz YHYUMLOTWXLBHV-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO CC[C@@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000166233229 136316090 /nfs/dbraw/zinc/31/60/90/136316090.db2.gz FEYQDMAXCBOPPC-GFCCVEGCSA-N 1 3 211.353 0.624 20 0 BCADHO CC[C@@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000166233229 136316091 /nfs/dbraw/zinc/31/60/91/136316091.db2.gz FEYQDMAXCBOPPC-GFCCVEGCSA-N 1 3 211.353 0.624 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000349084889 136322748 /nfs/dbraw/zinc/32/27/48/136322748.db2.gz ZKFCCEJRKDYNNV-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000349142047 136324195 /nfs/dbraw/zinc/32/41/95/136324195.db2.gz HBPLAUKHQHMWIM-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000349142047 136324196 /nfs/dbraw/zinc/32/41/96/136324196.db2.gz HBPLAUKHQHMWIM-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH2+]C[C@H]1CCN([C@@H](C)CCOC)C1 ZINC000082419863 343440753 /nfs/dbraw/zinc/44/07/53/343440753.db2.gz VRLADSUTZSUZFZ-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@H]1CC[N@@H+]([C@@H](C)CCOC)C1 ZINC000082419863 343440755 /nfs/dbraw/zinc/44/07/55/343440755.db2.gz VRLADSUTZSUZFZ-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@H]1CC[N@H+]([C@@H](C)CCOC)C1 ZINC000082419863 343440756 /nfs/dbraw/zinc/44/07/56/343440756.db2.gz VRLADSUTZSUZFZ-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO C[C@@H](CNC(=O)CCC[NH3+])N1CCC(C)CC1 ZINC000166340536 136352193 /nfs/dbraw/zinc/35/21/93/136352193.db2.gz QLSYXRVRDSGSRF-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335718448 136340402 /nfs/dbraw/zinc/34/04/02/136340402.db2.gz JTWXPUXKMXZDHF-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310327188 343435643 /nfs/dbraw/zinc/43/56/43/343435643.db2.gz AWLXFDLTESXIJO-ZDEQEGDKSA-N 1 3 242.363 0.002 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000310327188 343435644 /nfs/dbraw/zinc/43/56/44/343435644.db2.gz AWLXFDLTESXIJO-ZDEQEGDKSA-N 1 3 242.363 0.002 20 0 BCADHO CC[C@@H](C(=O)N(C)CC1CN(C)C1)[NH+](C)C ZINC000618192399 343583986 /nfs/dbraw/zinc/58/39/86/343583986.db2.gz MGLMSWUGFZDQDN-NSHDSACASA-N 1 3 227.352 0.347 20 0 BCADHO CCC[NH+]1CCC(N[C@@H]2CCOC[C@H]2O)CC1 ZINC000624235784 343579161 /nfs/dbraw/zinc/57/91/61/343579161.db2.gz PJYTYIYDBWAWDH-CHWSQXEVSA-N 1 3 242.363 0.600 20 0 BCADHO CN(CC1CN(C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000618193845 343603276 /nfs/dbraw/zinc/60/32/76/343603276.db2.gz GPNXUJYHSTXJHD-LLVKDONJSA-N 1 3 225.336 0.101 20 0 BCADHO CN(CC1CN(C)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000618193845 343603277 /nfs/dbraw/zinc/60/32/77/343603277.db2.gz GPNXUJYHSTXJHD-LLVKDONJSA-N 1 3 225.336 0.101 20 0 BCADHO C[C@@H](NC(=O)N1CCN(C)CC[C@@H]1C)[C@H](C)[NH3+] ZINC000418716275 192064044 /nfs/dbraw/zinc/06/40/44/192064044.db2.gz ZPNLXBJHWZEMLB-GARJFASQSA-N 1 3 242.367 0.458 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)CNC1CC1 ZINC000153911326 343706326 /nfs/dbraw/zinc/70/63/26/343706326.db2.gz DHQWNNHXLSASAE-NXEZZACHSA-N 1 3 211.309 0.125 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)CNC1CC1 ZINC000154647146 343730548 /nfs/dbraw/zinc/73/05/48/343730548.db2.gz PFSYGRSLUYRXRX-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)CNC1CC1 ZINC000154647146 343730550 /nfs/dbraw/zinc/73/05/50/343730550.db2.gz PFSYGRSLUYRXRX-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)c1cccc2c1CNC2 ZINC000621702343 343755054 /nfs/dbraw/zinc/75/50/54/343755054.db2.gz RNZXWLQXKQQWDL-VIFPVBQESA-N 1 3 233.315 0.757 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418731490 192065397 /nfs/dbraw/zinc/06/53/97/192065397.db2.gz SVYONPPIHKTRAJ-QWRGUYRKSA-N 1 3 244.383 0.704 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000178735924 346964601 /nfs/dbraw/zinc/96/46/01/346964601.db2.gz MUGONMNJIRCCPC-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CC(C)(C[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044752377 187354301 /nfs/dbraw/zinc/35/43/01/187354301.db2.gz JEJHJKADJAQLKB-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000577191857 343913092 /nfs/dbraw/zinc/91/30/92/343913092.db2.gz YSNGLXWPCXOCEE-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CN(C(=O)C2(N)CCCC2)CC[C@H]1[NH3+] ZINC000335892306 344044871 /nfs/dbraw/zinc/04/48/71/344044871.db2.gz CLYKYTMNVYXLMZ-VHSXEESVSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744127 344165322 /nfs/dbraw/zinc/16/53/22/344165322.db2.gz OEGBFHSZHDGHJQ-RTXFEEFZSA-N 1 3 239.363 0.428 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000130373568 344134455 /nfs/dbraw/zinc/13/44/55/344134455.db2.gz FNCZECHNNCEUPC-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000130509676 344143582 /nfs/dbraw/zinc/14/35/82/344143582.db2.gz LUXVWMSKEUONJL-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000130509676 344143584 /nfs/dbraw/zinc/14/35/84/344143584.db2.gz LUXVWMSKEUONJL-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000129081630 344209896 /nfs/dbraw/zinc/20/98/96/344209896.db2.gz LYLHBVVHOGXLDZ-VHSXEESVSA-N 1 3 213.325 0.230 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403834 344216874 /nfs/dbraw/zinc/21/68/74/344216874.db2.gz VYGLIHCLUMJSHK-WDEREUQCSA-N 1 3 227.352 0.762 20 0 BCADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086403834 344216876 /nfs/dbraw/zinc/21/68/76/344216876.db2.gz VYGLIHCLUMJSHK-WDEREUQCSA-N 1 3 227.352 0.762 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000130463689 344222110 /nfs/dbraw/zinc/22/21/10/344222110.db2.gz BHULJQABRSTKKV-PSASIEDQSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000130463689 344222111 /nfs/dbraw/zinc/22/21/11/344222111.db2.gz BHULJQABRSTKKV-PSASIEDQSA-N 1 3 213.325 0.323 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000131675653 344234278 /nfs/dbraw/zinc/23/42/78/344234278.db2.gz BTDWZRIQZOIWCJ-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752453 344203588 /nfs/dbraw/zinc/20/35/88/344203588.db2.gz LZJZIXHUZJUCHB-QWRGUYRKSA-N 1 3 241.379 0.864 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000634752546 344204804 /nfs/dbraw/zinc/20/48/04/344204804.db2.gz OCANSEVCARVEFY-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752816 344205503 /nfs/dbraw/zinc/20/55/03/344205503.db2.gz STWKFZLMZUFQAL-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768454 344280612 /nfs/dbraw/zinc/28/06/12/344280612.db2.gz KYOQMKVMWKJPNQ-YPMHNXCESA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092137588 344289126 /nfs/dbraw/zinc/28/91/26/344289126.db2.gz MRXVSVFPOYNPPK-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CCSC)C1 ZINC000131764008 344333268 /nfs/dbraw/zinc/33/32/68/344333268.db2.gz FHYGREVZVFTNOS-ZJUUUORDSA-N 1 3 245.392 0.277 20 0 BCADHO COC(=O)CCCC[N@@H+]1C[C@H](CN)C[C@H]1C ZINC000600709055 344361106 /nfs/dbraw/zinc/36/11/06/344361106.db2.gz NXFOCDQSEJAQLA-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@H+]1C[C@H](CN)C[C@H]1C ZINC000600709055 344361107 /nfs/dbraw/zinc/36/11/07/344361107.db2.gz NXFOCDQSEJAQLA-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000381255795 344301904 /nfs/dbraw/zinc/30/19/04/344301904.db2.gz QTBBJVDEXQJTRT-BBBLOLIVSA-N 1 3 215.341 0.459 20 0 BCADHO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000584287442 344421290 /nfs/dbraw/zinc/42/12/90/344421290.db2.gz KSTCZAMLCOUTKU-GARJFASQSA-N 1 3 212.337 0.996 20 0 BCADHO C[C@H](O)[C@H](C)[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000584287441 344421639 /nfs/dbraw/zinc/42/16/39/344421639.db2.gz KSTCZAMLCOUTKU-DCAQKATOSA-N 1 3 212.337 0.996 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000236824883 344406777 /nfs/dbraw/zinc/40/67/77/344406777.db2.gz HIUDLVAMUBRFBU-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CN(C[C@@H](O)C[NH3+])CC1CCCCC1 ZINC000042492699 344455200 /nfs/dbraw/zinc/45/52/00/344455200.db2.gz RZHZBNNOUGMLQL-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(N)CC1 ZINC000236909862 344455270 /nfs/dbraw/zinc/45/52/70/344455270.db2.gz SYUQBVVIFZDXEF-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1(N)CC1 ZINC000236909862 344455272 /nfs/dbraw/zinc/45/52/72/344455272.db2.gz SYUQBVVIFZDXEF-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CC[NH+]1CCC(N(C)CCC(=O)OC)CC1 ZINC000042680398 344461989 /nfs/dbraw/zinc/46/19/89/344461989.db2.gz LZGHHCLZHCNSOJ-UHFFFAOYSA-N 1 3 228.336 0.966 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000036999034 344485302 /nfs/dbraw/zinc/48/53/02/344485302.db2.gz QQWSFKHPAOXHMA-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO CN1CCC(NC(=O)C2([NH3+])CCCCC2)CC1 ZINC000037267538 344496922 /nfs/dbraw/zinc/49/69/22/344496922.db2.gz YFUBBVUSRMDBQU-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037267599 344497029 /nfs/dbraw/zinc/49/70/29/344497029.db2.gz JYRUSPZIWKGJTC-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CCC[NH2+]C ZINC000037477585 344508960 /nfs/dbraw/zinc/50/89/60/344508960.db2.gz NNJDFEGUYJDFCK-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CN(CCC1CC[NH2+]CC1)CC(=O)N(C)C ZINC000037271061 344498540 /nfs/dbraw/zinc/49/85/40/344498540.db2.gz HFRTYCMHYFEKOD-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CN(CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497637 344521881 /nfs/dbraw/zinc/52/18/81/344521881.db2.gz RJGFPRCXKREKIO-UHFFFAOYSA-N 1 3 213.325 0.006 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812627 344590720 /nfs/dbraw/zinc/59/07/20/344590720.db2.gz UENIESDXHFWBSB-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812627 344590723 /nfs/dbraw/zinc/59/07/23/344590723.db2.gz UENIESDXHFWBSB-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO O=C(C[NH2+]CC1CC1)N1CCN2CCC[C@H]2C1 ZINC000037812666 344591365 /nfs/dbraw/zinc/59/13/65/344591365.db2.gz SAPWXHXLXSFANE-LBPRGKRZSA-N 1 3 237.347 0.293 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158293238 344584033 /nfs/dbraw/zinc/58/40/33/344584033.db2.gz FXTIJLIZAXIONC-YPMHNXCESA-N 1 3 237.347 0.341 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237067675 344588758 /nfs/dbraw/zinc/58/87/58/344588758.db2.gz HFQKJMFNCBEQRD-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CCN1C ZINC000577867797 344639646 /nfs/dbraw/zinc/63/96/46/344639646.db2.gz ADMLFSCBNCVFTH-AXFHLTTASA-N 1 3 240.351 0.130 20 0 BCADHO C[NH+](C)[C@H]1CCCN(CCCO)CC1 ZINC000211705288 344758822 /nfs/dbraw/zinc/75/88/22/344758822.db2.gz AMQKILZDRJETKP-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CN(C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000211705288 344758825 /nfs/dbraw/zinc/75/88/25/344758825.db2.gz AMQKILZDRJETKP-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CN(C)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000211705288 344758828 /nfs/dbraw/zinc/75/88/28/344758828.db2.gz AMQKILZDRJETKP-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO C[C@@H](CNC(=O)NCCN(C)C)[N@H+](C)C1CC1 ZINC000133621953 344770696 /nfs/dbraw/zinc/77/06/96/344770696.db2.gz VVAXUYHAKMTTDK-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H](CNC(=O)NCCN(C)C)[N@@H+](C)C1CC1 ZINC000133621953 344770699 /nfs/dbraw/zinc/77/06/99/344770699.db2.gz VVAXUYHAKMTTDK-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO CN1CCC(O)(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000400641653 530050855 /nfs/dbraw/zinc/05/08/55/530050855.db2.gz QCFUIYNLIGIHLU-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)CC(C)C ZINC000309461510 347070554 /nfs/dbraw/zinc/07/05/54/347070554.db2.gz OZHVSQNJXWEIDL-JTQLQIEISA-N 1 3 215.341 0.476 20 0 BCADHO CN1CCCC[C@H]1CC[N@H+](C)CCOCCO ZINC000075860321 344785999 /nfs/dbraw/zinc/78/59/99/344785999.db2.gz CJGDQQZYNVFYQC-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO CN1CCCC[C@H]1CC[N@@H+](C)CCOCCO ZINC000075860321 344786001 /nfs/dbraw/zinc/78/60/01/344786001.db2.gz CJGDQQZYNVFYQC-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649617 187293248 /nfs/dbraw/zinc/29/32/48/187293248.db2.gz KHADRUWTDZBPGA-JQWIXIFHSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649617 187293249 /nfs/dbraw/zinc/29/32/49/187293249.db2.gz KHADRUWTDZBPGA-JQWIXIFHSA-N 1 3 239.363 0.570 20 0 BCADHO CN1CCC(O)(C[NH2+]C2CCCC2)CC1 ZINC000077450053 344824217 /nfs/dbraw/zinc/82/42/17/344824217.db2.gz XCNJCGALOCJTJR-UHFFFAOYSA-N 1 3 212.337 0.975 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000574520149 344884430 /nfs/dbraw/zinc/88/44/30/344884430.db2.gz DXEVEOAMMUCWCN-BBBLOLIVSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H](C)N1 ZINC000153439024 344876259 /nfs/dbraw/zinc/87/62/59/344876259.db2.gz XSLWQRZCMCTVCU-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000574683969 344958831 /nfs/dbraw/zinc/95/88/31/344958831.db2.gz PVULTBSSIUFGGD-LBPRGKRZSA-N 1 3 249.314 0.245 20 0 BCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCCNCC1 ZINC000387575782 344939795 /nfs/dbraw/zinc/93/97/95/344939795.db2.gz OHUHXEOJTXTTKP-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368226167 187297472 /nfs/dbraw/zinc/29/74/72/187297472.db2.gz MVFTVTHGMVRHNQ-MXWKQRLJSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000309823811 323082734 /nfs/dbraw/zinc/08/27/34/323082734.db2.gz WXGYTVHGTISKSD-OPRDCNLKSA-N 1 3 213.325 0.165 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](N)CC(F)F ZINC000574876632 345068386 /nfs/dbraw/zinc/06/83/86/345068386.db2.gz AASFQQRXFYKZDK-YIZRAAEISA-N 1 3 249.305 0.697 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000155244474 345074817 /nfs/dbraw/zinc/07/48/17/345074817.db2.gz WRPIPQOIKSHWJE-YFKTTZPYSA-N 1 3 241.379 0.946 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](COC)C1 ZINC000310450670 259382616 /nfs/dbraw/zinc/38/26/16/259382616.db2.gz XZFLKYSYKCIEOX-OLZOCXBDSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](COC)C1 ZINC000310450670 259382617 /nfs/dbraw/zinc/38/26/17/259382617.db2.gz XZFLKYSYKCIEOX-OLZOCXBDSA-N 1 3 244.379 0.657 20 0 BCADHO CCC[C@@](C)(CO)[NH2+]CC12CC(C1)CN2 ZINC000634993316 345189825 /nfs/dbraw/zinc/18/98/25/345189825.db2.gz QOQLOVVXCGCVDD-CXQJBGSLSA-N 1 3 212.337 0.879 20 0 BCADHO NCC1(C[NH2+]CCCNCc2cccnc2)CC1 ZINC000634994599 345181978 /nfs/dbraw/zinc/18/19/78/345181978.db2.gz IRBLRBJINBLSPF-UHFFFAOYSA-N 1 3 248.374 0.890 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156376854 345151056 /nfs/dbraw/zinc/15/10/56/345151056.db2.gz NELSQUQBGKDPMQ-IJLUTSLNSA-N 1 3 230.352 0.456 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156376854 345151059 /nfs/dbraw/zinc/15/10/59/345151059.db2.gz NELSQUQBGKDPMQ-IJLUTSLNSA-N 1 3 230.352 0.456 20 0 BCADHO Cc1cn[nH]c1CN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999717 345200530 /nfs/dbraw/zinc/20/05/30/345200530.db2.gz YHNKYDXKAGQLTG-NXEZZACHSA-N 1 3 208.309 0.745 20 0 BCADHO OCCNC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000635001690 345201087 /nfs/dbraw/zinc/20/10/87/345201087.db2.gz BNWOBJSKMFSTTG-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO CCC[C@H](CCO)[NH2+][C@@H](C)C1CNC1 ZINC000635005301 345209328 /nfs/dbraw/zinc/20/93/28/345209328.db2.gz UFSORBLVWFQXEW-GXSJLCMTSA-N 1 3 200.326 0.735 20 0 BCADHO CCC[C@H](CCO)N[C@@H](C)C1C[NH2+]C1 ZINC000635005301 345209331 /nfs/dbraw/zinc/20/93/31/345209331.db2.gz UFSORBLVWFQXEW-GXSJLCMTSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@@H](CC(N)=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012119 345214715 /nfs/dbraw/zinc/21/47/15/345214715.db2.gz QVQWLVFADUFIDY-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO NC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCCC1 ZINC000158787214 345263595 /nfs/dbraw/zinc/26/35/95/345263595.db2.gz LMDHTFVYOCUJAN-LBPRGKRZSA-N 1 3 237.347 0.470 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178805668 534992744 /nfs/dbraw/zinc/99/27/44/534992744.db2.gz FEFLCSMZTJTAHP-NSHDSACASA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)(N)C(=O)NCC1([NH3+])CCCCC1 ZINC000147091044 345370059 /nfs/dbraw/zinc/37/00/59/345370059.db2.gz IAQDPRQZUBYZOZ-UHFFFAOYSA-N 1 3 213.325 0.502 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635506581 345406270 /nfs/dbraw/zinc/40/62/70/345406270.db2.gz CRWNZKCJNRBOLB-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635506581 345406271 /nfs/dbraw/zinc/40/62/71/345406271.db2.gz CRWNZKCJNRBOLB-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000159085645 345408640 /nfs/dbraw/zinc/40/86/40/345408640.db2.gz SELMMFFLMVFTLA-GHMZBOCLSA-N 1 3 227.352 0.426 20 0 BCADHO COC[C@@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000068892051 349930585 /nfs/dbraw/zinc/93/05/85/349930585.db2.gz KFJDNFDPOSHHLI-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000068892051 349930588 /nfs/dbraw/zinc/93/05/88/349930588.db2.gz KFJDNFDPOSHHLI-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000563116083 323093495 /nfs/dbraw/zinc/09/34/95/323093495.db2.gz XWNNCOMKAFJHEN-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CCOC(=O)C[C@@H](C)[N@H+](C)CC(C)(C)N ZINC000309500788 187308896 /nfs/dbraw/zinc/30/88/96/187308896.db2.gz UXUNNTYWAHBXJY-SECBINFHSA-N 1 3 216.325 0.997 20 0 BCADHO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(C)(C)N ZINC000309500788 187308898 /nfs/dbraw/zinc/30/88/98/187308898.db2.gz UXUNNTYWAHBXJY-SECBINFHSA-N 1 3 216.325 0.997 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000567848389 323092708 /nfs/dbraw/zinc/09/27/08/323092708.db2.gz ACJFRTACTKVZNK-WPRPVWTQSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000262923498 535001667 /nfs/dbraw/zinc/00/16/67/535001667.db2.gz ZOIWBRLJZLNQRJ-QWRGUYRKSA-N 1 3 227.352 0.441 20 0 BCADHO CCCNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000252667278 535005372 /nfs/dbraw/zinc/00/53/72/535005372.db2.gz IANYMEOCBPTUNO-QWRGUYRKSA-N 1 3 240.351 0.374 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000563160307 323097434 /nfs/dbraw/zinc/09/74/34/323097434.db2.gz JLLMYQMDIYQLSH-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000563160307 323097435 /nfs/dbraw/zinc/09/74/35/323097435.db2.gz JLLMYQMDIYQLSH-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930672 187361004 /nfs/dbraw/zinc/36/10/04/187361004.db2.gz ICJBDDOUTDVTCA-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000309827662 187311212 /nfs/dbraw/zinc/31/12/12/187311212.db2.gz XSIRTDPMCMDPEZ-AEJSXWLSSA-N 1 3 213.325 0.308 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309827665 187311253 /nfs/dbraw/zinc/31/12/53/187311253.db2.gz XSIRTDPMCMDPEZ-GUBZILKMSA-N 1 3 213.325 0.308 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563200959 323101483 /nfs/dbraw/zinc/10/14/83/323101483.db2.gz CTLQCRFRBCRIJB-GRYCIOLGSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000364599341 187316275 /nfs/dbraw/zinc/31/62/75/187316275.db2.gz KYQSRQNDJPDTDX-CHWFTXMASA-N 1 3 239.363 0.841 20 0 BCADHO C[NH+](C)CC1(C(=O)N2CCN3CC[C@H]2C3)CC1 ZINC000635974767 346129930 /nfs/dbraw/zinc/12/99/30/346129930.db2.gz CBAPYENFFPQROY-NSHDSACASA-N 1 3 237.347 0.245 20 0 BCADHO CC[C@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000309511031 347089223 /nfs/dbraw/zinc/08/92/23/347089223.db2.gz XHIIQTVTJXADEO-JTQLQIEISA-N 1 3 207.277 0.821 20 0 BCADHO C[NH+](C)CCOCCNCc1ccncc1N ZINC000641747171 362673948 /nfs/dbraw/zinc/67/39/48/362673948.db2.gz FMVLTOQBQGKSSO-UHFFFAOYSA-N 1 3 238.335 0.332 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000069734000 349956324 /nfs/dbraw/zinc/95/63/24/349956324.db2.gz KSXVXISEDOBXDR-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO CCN1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000069733583 349956339 /nfs/dbraw/zinc/95/63/39/349956339.db2.gz URXWYBIBYGKYGD-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]1CN(CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641795869 362737190 /nfs/dbraw/zinc/73/71/90/362737190.db2.gz APDPFBASMYPSBI-ZYHUDNBSSA-N 1 3 222.336 0.632 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC ZINC000300369622 346433177 /nfs/dbraw/zinc/43/31/77/346433177.db2.gz ZELRULRALFHVTO-UWVGGRQHSA-N 1 3 215.341 0.441 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC ZINC000300369622 346433179 /nfs/dbraw/zinc/43/31/79/346433179.db2.gz ZELRULRALFHVTO-UWVGGRQHSA-N 1 3 215.341 0.441 20 0 BCADHO C[C@](C[NH3+])(NCCc1cn[nH]c1)C1CC1 ZINC000641797539 362743246 /nfs/dbraw/zinc/74/32/46/362743246.db2.gz DZAVXUJMBSEWGJ-LLVKDONJSA-N 1 3 208.309 0.669 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1cncn1C ZINC000641798162 362743285 /nfs/dbraw/zinc/74/32/85/362743285.db2.gz LWOKWSJFLIHHSB-MNOVXSKESA-N 1 3 222.336 0.632 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)CNC1CC1 ZINC000381620852 346458109 /nfs/dbraw/zinc/45/81/09/346458109.db2.gz ZHPSXTGXDBSTQI-UHFFFAOYSA-N 1 3 213.325 0.243 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000186397533 346505556 /nfs/dbraw/zinc/50/55/56/346505556.db2.gz KIHSPLZCEAZJMT-JTQLQIEISA-N 1 3 211.309 0.006 20 0 BCADHO C[NH2+]C[C@H]1CCN(CCCCOC)C1 ZINC000053033720 346508945 /nfs/dbraw/zinc/50/89/45/346508945.db2.gz SOFQQYCBQYEHNL-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335627409 535050098 /nfs/dbraw/zinc/05/00/98/535050098.db2.gz QXKPWKFHYBEUBX-VIFPVBQESA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]1CN(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000641801569 362756482 /nfs/dbraw/zinc/75/64/82/362756482.db2.gz SQUCWGUHBXBUGO-UTUOFQBUSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@H]1CN(CC[NH2+][C@H]2C[C@@H](N)C2(C)C)CCO1 ZINC000641801569 362756486 /nfs/dbraw/zinc/75/64/86/362756486.db2.gz SQUCWGUHBXBUGO-UTUOFQBUSA-N 1 3 241.379 0.423 20 0 BCADHO CN(C)CCNC(=O)CCCC[NH+](C)C ZINC000580138570 346550120 /nfs/dbraw/zinc/55/01/20/346550120.db2.gz BQAVPGQSYODOKM-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO C[C@H](C(=O)NC1CC1)N1CCC(CC[NH3+])CC1 ZINC000070188516 349975370 /nfs/dbraw/zinc/97/53/70/349975370.db2.gz BWWSHYIIGXQSOX-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO CC[NH2+]CCNC(=O)c1ccc2c(c1)CNC2 ZINC000580190200 346643734 /nfs/dbraw/zinc/64/37/34/346643734.db2.gz ZFZIPFYPNJGRCK-UHFFFAOYSA-N 1 3 233.315 0.629 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000580197453 346654329 /nfs/dbraw/zinc/65/43/29/346654329.db2.gz JNEMHPHRBIUUOK-LPEHRKFASA-N 1 3 227.352 0.556 20 0 BCADHO O=C(N[C@H]1CNCCC1(F)F)C1CC[NH2+]CC1 ZINC000580190776 346642297 /nfs/dbraw/zinc/64/22/97/346642297.db2.gz OJMYVDAWHMKZGK-VIFPVBQESA-N 1 3 247.289 0.099 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000167337483 346705878 /nfs/dbraw/zinc/70/58/78/346705878.db2.gz XGCLLQDBPDVCCU-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089241 346714827 /nfs/dbraw/zinc/71/48/27/346714827.db2.gz QMZHSJOYNSSBNM-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000310505134 323132662 /nfs/dbraw/zinc/13/26/62/323132662.db2.gz IYSIZJMIHCLDJB-XQQFMLRXSA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000310505134 323132663 /nfs/dbraw/zinc/13/26/63/323132663.db2.gz IYSIZJMIHCLDJB-XQQFMLRXSA-N 1 3 243.395 0.323 20 0 BCADHO C[C@H](CN1CCOCC1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000582063287 347157654 /nfs/dbraw/zinc/15/76/54/347157654.db2.gz WKTOBCSUMVWJBX-UPJWGTAASA-N 1 3 241.379 0.376 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H](C)N ZINC000019519782 347339073 /nfs/dbraw/zinc/33/90/73/347339073.db2.gz NEQZUXINMHLDOE-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO C[C@H](CNC(=O)CNC1CC1)[NH+]1CCCC1 ZINC000161086903 323146049 /nfs/dbraw/zinc/14/60/49/323146049.db2.gz VUTYRZXEJMNPKB-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO O=C1CC[C@@H]([NH2+]CCCN2CCCC2)CCN1 ZINC000396733284 362831071 /nfs/dbraw/zinc/83/10/71/362831071.db2.gz GDILKNJHNGEVKV-GFCCVEGCSA-N 1 3 239.363 0.731 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050910 362841237 /nfs/dbraw/zinc/84/12/37/362841237.db2.gz HDGTZVQZNKDEDE-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050910 362841240 /nfs/dbraw/zinc/84/12/40/362841240.db2.gz HDGTZVQZNKDEDE-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CN1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000572856069 323149390 /nfs/dbraw/zinc/14/93/90/323149390.db2.gz WPWLXGMPIQJMSR-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000082475063 347615066 /nfs/dbraw/zinc/61/50/66/347615066.db2.gz WUUSZLBILMRJOJ-ZJUUUORDSA-N 1 3 227.352 0.522 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807274 347688179 /nfs/dbraw/zinc/68/81/79/347688179.db2.gz TWXDTAWDZDJHGS-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333390283 537991890 /nfs/dbraw/zinc/99/18/90/537991890.db2.gz OSKFXMYUQHZAJA-WDEREUQCSA-N 1 3 239.363 0.490 20 0 BCADHO CCN1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000054342418 347768379 /nfs/dbraw/zinc/76/83/79/347768379.db2.gz CJGOVULVUHOMIN-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO COC(=O)[C@H](C)CN(C)C[C@H]1CC[NH2+]C1 ZINC000592493353 347787424 /nfs/dbraw/zinc/78/74/24/347787424.db2.gz OZUBRMZEAPTCOX-ZJUUUORDSA-N 1 3 214.309 0.337 20 0 BCADHO COC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000592471170 347790106 /nfs/dbraw/zinc/79/01/06/347790106.db2.gz FKLIVTJFBZYAPV-UHFFFAOYSA-N 1 3 226.320 0.766 20 0 BCADHO COC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000592471170 347790109 /nfs/dbraw/zinc/79/01/09/347790109.db2.gz FKLIVTJFBZYAPV-UHFFFAOYSA-N 1 3 226.320 0.766 20 0 BCADHO [NH3+]CCCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000070203790 349977176 /nfs/dbraw/zinc/97/71/76/349977176.db2.gz ZKGHVCBTMWPRTR-GFCCVEGCSA-N 1 3 239.363 0.812 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000563811390 323178693 /nfs/dbraw/zinc/17/86/93/323178693.db2.gz BOOYGPSAKDMQHZ-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000162037656 490137385 /nfs/dbraw/zinc/13/73/85/490137385.db2.gz ODTYGLIAGVGRCG-VWYCJHECSA-N 1 3 225.336 0.515 20 0 BCADHO CCN1C[C@H](N[C@H]2CC[N@H+](C)C[C@@H]2C)CC1=O ZINC000391613369 323179006 /nfs/dbraw/zinc/17/90/06/323179006.db2.gz DWCKDAXZDCRMDB-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1C[C@H](N[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1=O ZINC000391613369 323179007 /nfs/dbraw/zinc/17/90/07/323179007.db2.gz DWCKDAXZDCRMDB-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000397246254 362866899 /nfs/dbraw/zinc/86/68/99/362866899.db2.gz ULNKHCDNDAEOHE-CHWSQXEVSA-N 1 3 242.363 0.459 20 0 BCADHO C[C@@]1(CNC[C@@H](O)C[NH+]2CCCC2)CCOC1 ZINC000397246256 362866928 /nfs/dbraw/zinc/86/69/28/362866928.db2.gz ULNKHCDNDAEOHE-OLZOCXBDSA-N 1 3 242.363 0.459 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CS1 ZINC000397584188 362895378 /nfs/dbraw/zinc/89/53/78/362895378.db2.gz GOBBRWRHISNXAM-GHMZBOCLSA-N 1 3 244.404 0.927 20 0 BCADHO CSC[C@@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309100796 349986441 /nfs/dbraw/zinc/98/64/41/349986441.db2.gz IZKBJACLXWKBKO-MWLCHTKSSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309100796 349986444 /nfs/dbraw/zinc/98/64/44/349986444.db2.gz IZKBJACLXWKBKO-MWLCHTKSSA-N 1 3 232.393 0.783 20 0 BCADHO COC(=O)[C@@H]1CCN(CCOCC[NH3+])C[C@@H]1C ZINC000595904606 348396032 /nfs/dbraw/zinc/39/60/32/348396032.db2.gz INBXJJJEKDYPII-WDEREUQCSA-N 1 3 244.335 0.093 20 0 BCADHO CSCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000596649164 348604993 /nfs/dbraw/zinc/60/49/93/348604993.db2.gz CCUJGDJJJHABJX-OPRDCNLKSA-N 1 3 218.366 0.691 20 0 BCADHO CN(C[C@@H]1CCCC[C@H]1O)C1CC([NH3+])C1 ZINC000384812261 490191074 /nfs/dbraw/zinc/19/10/74/490191074.db2.gz CNLNLCKPYDOTJH-WNYYMSAVSA-N 1 3 212.337 0.959 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H](C)[NH2+]C)CC1 ZINC000054072403 348888777 /nfs/dbraw/zinc/88/87/77/348888777.db2.gz GOPYJPVTVOCTBC-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCCCCC1 ZINC000054343497 349006708 /nfs/dbraw/zinc/00/67/08/349006708.db2.gz GWSAVCUXGLBVDN-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000237799510 490217986 /nfs/dbraw/zinc/21/79/86/490217986.db2.gz VOQULYACWDWXMP-NSHDSACASA-N 1 3 239.363 0.906 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000250368580 349170401 /nfs/dbraw/zinc/17/04/01/349170401.db2.gz VGRAIZYZNVZHKZ-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000250368575 349170438 /nfs/dbraw/zinc/17/04/38/349170438.db2.gz VGRAIZYZNVZHKZ-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000308988039 349267146 /nfs/dbraw/zinc/26/71/46/349267146.db2.gz KGNDKIJVEXSDGS-VGMNWLOBSA-N 1 3 201.314 0.213 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000567831502 349306896 /nfs/dbraw/zinc/30/68/96/349306896.db2.gz CDDOWXCQNWRSGD-UMNHJUIQSA-N 1 3 227.352 0.700 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000567831499 349307224 /nfs/dbraw/zinc/30/72/24/349307224.db2.gz CDDOWXCQNWRSGD-FOGDFJRCSA-N 1 3 227.352 0.700 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000567831501 349307266 /nfs/dbraw/zinc/30/72/66/349307266.db2.gz CDDOWXCQNWRSGD-SCVCMEIPSA-N 1 3 227.352 0.700 20 0 BCADHO COCCN(C)CCNC(=O)CC[NH2+]C(C)C ZINC000061380728 349367977 /nfs/dbraw/zinc/36/79/77/349367977.db2.gz TXJLPOAURVEOTK-UHFFFAOYSA-N 1 3 245.367 0.069 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CCC[NH3+] ZINC000061645079 349375846 /nfs/dbraw/zinc/37/58/46/349375846.db2.gz NKVSUJBVOYLWPW-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO C[NH2+]CCC(=O)N1CCC[C@H]1CN(C)C ZINC000061644917 349376032 /nfs/dbraw/zinc/37/60/32/349376032.db2.gz MGHHWZYNTWMPGB-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO C[NH2+]CCC(=O)N1CCC[C@@H]1CN(C)C ZINC000061644916 349376074 /nfs/dbraw/zinc/37/60/74/349376074.db2.gz MGHHWZYNTWMPGB-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CN1CC[C@H](N2CCC(CC[NH3+])CC2)C1=O ZINC000070583876 350033002 /nfs/dbraw/zinc/03/30/02/350033002.db2.gz AKOFKKQKHFEWCR-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CC ZINC000309128078 350078453 /nfs/dbraw/zinc/07/84/53/350078453.db2.gz QKNRZMMCCLXGGF-RKDXNWHRSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CC ZINC000309128077 350078655 /nfs/dbraw/zinc/07/86/55/350078655.db2.gz QKNRZMMCCLXGGF-DTWKUNHWSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563103442 350056935 /nfs/dbraw/zinc/05/69/35/350056935.db2.gz XIPYCHNHQDRVIN-WCQGTBRESA-N 1 3 237.347 0.480 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000563106885 350062965 /nfs/dbraw/zinc/06/29/65/350062965.db2.gz QOKQSXADFZVKGR-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CCC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000071184678 350090597 /nfs/dbraw/zinc/09/05/97/350090597.db2.gz MHRRLNXSFJTJAN-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000584242199 490313389 /nfs/dbraw/zinc/31/33/89/490313389.db2.gz KVWZBSLIDLFEIX-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H](CNC(=O)C1(N)CCC1)[N@H+](C)C1CC1 ZINC000219973269 350153734 /nfs/dbraw/zinc/15/37/34/350153734.db2.gz RJFNVFRNLDZJQT-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CNC(=O)C1(N)CCC1)[N@@H+](C)C1CC1 ZINC000219973269 350153736 /nfs/dbraw/zinc/15/37/36/350153736.db2.gz RJFNVFRNLDZJQT-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N(C)C ZINC000427279830 191058428 /nfs/dbraw/zinc/05/84/28/191058428.db2.gz GSIOMMVQJGYHCQ-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000427279834 191059089 /nfs/dbraw/zinc/05/90/89/191059089.db2.gz GSIOMMVQJGYHCQ-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236728718 191061010 /nfs/dbraw/zinc/06/10/10/191061010.db2.gz GEMXMSIMORSQGY-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)([NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000040923618 191062889 /nfs/dbraw/zinc/06/28/89/191062889.db2.gz XVMCPHYJQZTEJK-VIFPVBQESA-N 1 3 211.309 0.030 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000427565302 191081631 /nfs/dbraw/zinc/08/16/31/191081631.db2.gz NDTDFJYDKSSMBD-WOPDTQHZSA-N 1 3 241.379 0.687 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1CCCN1CCOCC1 ZINC000565155129 323319879 /nfs/dbraw/zinc/31/98/79/323319879.db2.gz CPPOTINEAVZSFA-CHWSQXEVSA-N 1 3 241.379 0.520 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)CC(F)F ZINC000309414154 350377904 /nfs/dbraw/zinc/37/79/04/350377904.db2.gz IZHJBWFAAKYGBU-SSDOTTSWSA-N 1 3 223.267 0.085 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@H](C)N(C)C ZINC000069839631 350413297 /nfs/dbraw/zinc/41/32/97/350413297.db2.gz FVVCLOQAAGLVKV-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541417 362959557 /nfs/dbraw/zinc/95/95/57/362959557.db2.gz IJUSQXZVEDSRSO-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541417 362959564 /nfs/dbraw/zinc/95/95/64/362959564.db2.gz IJUSQXZVEDSRSO-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541414 362960220 /nfs/dbraw/zinc/96/02/20/362960220.db2.gz IJUSQXZVEDSRSO-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541414 362960223 /nfs/dbraw/zinc/96/02/23/362960223.db2.gz IJUSQXZVEDSRSO-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000309450425 350499584 /nfs/dbraw/zinc/49/95/84/350499584.db2.gz MJDIEIRMOXFILO-JTQLQIEISA-N 1 3 213.325 0.228 20 0 BCADHO CO[C@H](CN)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000577501936 365970360 /nfs/dbraw/zinc/97/03/60/365970360.db2.gz VZBUHCGBJOCHIW-GZMMTYOYSA-N 1 3 237.303 0.619 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000577501937 365970732 /nfs/dbraw/zinc/97/07/32/365970732.db2.gz VZBUHCGBJOCHIW-KCJUWKMLSA-N 1 3 237.303 0.619 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@@]1(F)CCNC1 ZINC000163562021 350527218 /nfs/dbraw/zinc/52/72/18/350527218.db2.gz SSJYOSWTJZRVBR-LLVKDONJSA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000222672489 490653399 /nfs/dbraw/zinc/65/33/99/490653399.db2.gz SBKLSHBXDRZFQL-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CNC(=O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000398309993 351024416 /nfs/dbraw/zinc/02/44/16/351024416.db2.gz XHDGAHLFBDFAAK-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH2+]1 ZINC000404930920 351266093 /nfs/dbraw/zinc/26/60/93/351266093.db2.gz LUWUKVXBZNBWMS-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO COCC[C@H](C)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000380187382 351381412 /nfs/dbraw/zinc/38/14/12/351381412.db2.gz PLSPYENFXPVFQE-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO COCC[C@H](C)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000380187382 351381417 /nfs/dbraw/zinc/38/14/17/351381417.db2.gz PLSPYENFXPVFQE-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000094295364 487527542 /nfs/dbraw/zinc/52/75/42/487527542.db2.gz PZKVHMFLOOFNQG-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CN1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000094295240 487527555 /nfs/dbraw/zinc/52/75/55/487527555.db2.gz GNKDJQSRJOPHOV-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO NC1(C(=O)NCCC[NH+]2CCCC2)CCC1 ZINC000088050213 351533270 /nfs/dbraw/zinc/53/32/70/351533270.db2.gz HHNPBFKROZGINY-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000637801915 351633913 /nfs/dbraw/zinc/63/39/13/351633913.db2.gz JNHZMUZFCGCTTI-NXEZZACHSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000637802737 351635363 /nfs/dbraw/zinc/63/53/63/351635363.db2.gz UBCPXUBNRWEICV-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000637803260 351638853 /nfs/dbraw/zinc/63/88/53/351638853.db2.gz BPLDSSKEINGUEM-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000637803258 351639084 /nfs/dbraw/zinc/63/90/84/351639084.db2.gz BPLDSSKEINGUEM-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO CCN[C@@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000637805837 351642217 /nfs/dbraw/zinc/64/22/17/351642217.db2.gz QXECWISGARHFKJ-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)CCC(C)C ZINC000637809364 351646256 /nfs/dbraw/zinc/64/62/56/351646256.db2.gz VYIBCSXRPVJJNH-LLVKDONJSA-N 1 3 229.368 0.866 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811922 351647346 /nfs/dbraw/zinc/64/73/46/351647346.db2.gz SOUXUEWQBSNPQL-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO CCN[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637814163 351659283 /nfs/dbraw/zinc/65/92/83/351659283.db2.gz IPXFAIDEWRJMJL-UWVGGRQHSA-N 1 3 213.325 0.100 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637820470 351660829 /nfs/dbraw/zinc/66/08/29/351660829.db2.gz OERKTNADVBWJLP-GMTAPVOTSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@H](N)c1ccccc1 ZINC000637833610 351684224 /nfs/dbraw/zinc/68/42/24/351684224.db2.gz UVDGVVURZACQBX-ONGXEEELSA-N 1 3 221.304 0.540 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000637838799 351694125 /nfs/dbraw/zinc/69/41/25/351694125.db2.gz CGAYZHVROINPLE-LPEHRKFASA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H](C)N1 ZINC000637840609 351695539 /nfs/dbraw/zinc/69/55/39/351695539.db2.gz PMVJPALTVUUIQP-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H](C)N1 ZINC000637840609 351695541 /nfs/dbraw/zinc/69/55/41/351695541.db2.gz PMVJPALTVUUIQP-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)CN(C)CC(C)(C)C ZINC000637845216 351700530 /nfs/dbraw/zinc/70/05/30/351700530.db2.gz VNOPTZIDDWFSSA-SNVBAGLBSA-N 1 3 229.368 0.770 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C ZINC000637842927 351701702 /nfs/dbraw/zinc/70/17/02/351701702.db2.gz BASQMLKKOUEIMN-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C(=O)N[C@H](C[NH3+])CC(C)C)N(C)C ZINC000637842930 351701794 /nfs/dbraw/zinc/70/17/94/351701794.db2.gz BASQMLKKOUEIMN-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000577720083 366042817 /nfs/dbraw/zinc/04/28/17/366042817.db2.gz XVIIIANAQISBSX-VPOLOUISSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000637822573 351667559 /nfs/dbraw/zinc/66/75/59/351667559.db2.gz LCXDIABYOARGCC-WDEREUQCSA-N 1 3 227.352 0.557 20 0 BCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000577731833 366046743 /nfs/dbraw/zinc/04/67/43/366046743.db2.gz VMIQDQLNCBEUDH-MXWKQRLJSA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C)N(C)C ZINC000637862228 351723006 /nfs/dbraw/zinc/72/30/06/351723006.db2.gz MLYPXAVWILKPHF-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]C)N(C)C ZINC000637862230 351723131 /nfs/dbraw/zinc/72/31/31/351723131.db2.gz MLYPXAVWILKPHF-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCN1C ZINC000626986083 363084465 /nfs/dbraw/zinc/08/44/65/363084465.db2.gz ADMLFSCBNCVFTH-GMTAPVOTSA-N 1 3 240.351 0.130 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000637850745 351708336 /nfs/dbraw/zinc/70/83/36/351708336.db2.gz CAOWZOSJFCGXCJ-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000637854128 351713279 /nfs/dbraw/zinc/71/32/79/351713279.db2.gz DKOBTHMEOADOKD-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CN(CC(=O)N[C@@H](C[NH3+])C1CC1)CC(C)(C)C ZINC000637854736 351713969 /nfs/dbraw/zinc/71/39/69/351713969.db2.gz FGKHLUFVAGPXRQ-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023893 358466512 /nfs/dbraw/zinc/46/65/12/358466512.db2.gz BOLWRWIITSUELP-SDDRHHMPSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023893 358466517 /nfs/dbraw/zinc/46/65/17/358466517.db2.gz BOLWRWIITSUELP-SDDRHHMPSA-N 1 3 239.363 0.857 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1CC ZINC000638047435 351926551 /nfs/dbraw/zinc/92/65/51/351926551.db2.gz HNNXLYMZAPJZRO-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC1CCN(C)CC1 ZINC000638050673 351929220 /nfs/dbraw/zinc/92/92/20/351929220.db2.gz QWIYWTHGNGEXAW-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000638050674 351929351 /nfs/dbraw/zinc/92/93/51/351929351.db2.gz QWIYWTHGNGEXAW-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC1CCN(CC)CC1 ZINC000638052075 351929568 /nfs/dbraw/zinc/92/95/68/351929568.db2.gz WHRWQOPWVBIBNT-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000638071076 351943780 /nfs/dbraw/zinc/94/37/80/351943780.db2.gz ZSIIGIZUIVIOAM-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638076622 351949517 /nfs/dbraw/zinc/94/95/17/351949517.db2.gz ZQLGWTHJSWBWOZ-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000638076622 351949521 /nfs/dbraw/zinc/94/95/21/351949521.db2.gz ZQLGWTHJSWBWOZ-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000638080230 351953353 /nfs/dbraw/zinc/95/33/53/351953353.db2.gz MYVHYGXIYQYAMO-DTWKUNHWSA-N 1 3 201.314 0.051 20 0 BCADHO CN(CCNC(=O)C1=CC[C@@H]([NH3+])C1)C1CC1 ZINC000638082221 351955370 /nfs/dbraw/zinc/95/53/70/351955370.db2.gz GFTCFOMRDUYBNV-SNVBAGLBSA-N 1 3 223.320 0.244 20 0 BCADHO C[NH+](C)CC1CCN(C(=O)C2(N)CC2)CC1 ZINC000083835022 351955383 /nfs/dbraw/zinc/95/53/83/351955383.db2.gz NIIKUKXQMUWJEQ-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO O=C(CCC1C[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000638086475 351963703 /nfs/dbraw/zinc/96/37/03/351963703.db2.gz ZLHUWFXNPRWABT-NSHDSACASA-N 1 3 237.347 0.339 20 0 BCADHO CCCCN(C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638091087 351967723 /nfs/dbraw/zinc/96/77/23/351967723.db2.gz PNSDPCZBPVLAJP-GFCCVEGCSA-N 1 3 239.363 0.882 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000638094337 351974742 /nfs/dbraw/zinc/97/47/42/351974742.db2.gz HKBJALLZVGABOM-CHWSQXEVSA-N 1 3 249.358 0.731 20 0 BCADHO CCN(CCNC(=O)CCC1C[NH2+]C1)C1CC1 ZINC000638097230 351977558 /nfs/dbraw/zinc/97/75/58/351977558.db2.gz RTZINBLVOLZCQN-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)C(C)C ZINC000154539315 535169584 /nfs/dbraw/zinc/16/95/84/535169584.db2.gz GSSOCHBKQMQKEL-VIFPVBQESA-N 1 3 201.314 0.086 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCCN1CC ZINC000638099653 351979550 /nfs/dbraw/zinc/97/95/50/351979550.db2.gz CWSQONBTUPTTSR-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000638099648 351979846 /nfs/dbraw/zinc/97/98/46/351979846.db2.gz IHNCOKFFUPMEKK-QWHCGFSZSA-N 1 3 249.358 0.634 20 0 BCADHO C[C@@H](CNC(=O)CCC1C[NH2+]C1)N(C)C1CC1 ZINC000638099672 351980021 /nfs/dbraw/zinc/98/00/21/351980021.db2.gz DAMYBKDBYRNKES-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000638126912 351998072 /nfs/dbraw/zinc/99/80/72/351998072.db2.gz RNLCDWRRNNYSAO-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638134476 352002924 /nfs/dbraw/zinc/00/29/24/352002924.db2.gz NODKZHRWUAEHRF-IRUJWGPZSA-N 1 3 249.358 0.633 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000638196141 352059998 /nfs/dbraw/zinc/05/99/98/352059998.db2.gz WEUOYLNWMJBZJE-UWVGGRQHSA-N 1 3 213.325 0.243 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000638199133 352062283 /nfs/dbraw/zinc/06/22/83/352062283.db2.gz PFBBRDKTFDDFMD-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638199571 352063413 /nfs/dbraw/zinc/06/34/13/352063413.db2.gz DDBZLTZIFNJQAQ-WOPDTQHZSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC000638204088 352065884 /nfs/dbraw/zinc/06/58/84/352065884.db2.gz IJIHXNGGDJRYNM-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC000638204088 352065885 /nfs/dbraw/zinc/06/58/85/352065885.db2.gz IJIHXNGGDJRYNM-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000638156720 352020579 /nfs/dbraw/zinc/02/05/79/352020579.db2.gz QJYLXGOJQXREHE-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000638158397 352022379 /nfs/dbraw/zinc/02/23/79/352022379.db2.gz ZSXAVZPPJPECMH-WOPDTQHZSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C)NC[C@H]1C)[NH+](C)C ZINC000638157981 352022498 /nfs/dbraw/zinc/02/24/98/352022498.db2.gz NMKACZUHXLBWTA-HBNTYKKESA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000638158027 352025675 /nfs/dbraw/zinc/02/56/75/352025675.db2.gz NYHPJJBRTAPWEH-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)CN1 ZINC000638160882 352028322 /nfs/dbraw/zinc/02/83/22/352028322.db2.gz ZVEHCJJRTQOPDS-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)CN1 ZINC000638160882 352028325 /nfs/dbraw/zinc/02/83/25/352028325.db2.gz ZVEHCJJRTQOPDS-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)C[NH3+] ZINC000638170302 352034512 /nfs/dbraw/zinc/03/45/12/352034512.db2.gz IYLLGUBZCMOATM-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000638173015 352040173 /nfs/dbraw/zinc/04/01/73/352040173.db2.gz ZAFOGMWEFPVFFC-ZYHUDNBSSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H](C)[NH3+] ZINC000638211308 352077120 /nfs/dbraw/zinc/07/71/20/352077120.db2.gz PRSXNGKMNKLIBK-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C)N(C)C ZINC000638222086 352081535 /nfs/dbraw/zinc/08/15/35/352081535.db2.gz ITIRYPNKBHXBCI-GARJFASQSA-N 1 3 245.342 0.485 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C)N(C)C ZINC000638229192 352084876 /nfs/dbraw/zinc/08/48/76/352084876.db2.gz DHNCTXAJYXSUFH-WRWGMCAJSA-N 1 3 241.379 0.829 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243403 352089639 /nfs/dbraw/zinc/08/96/39/352089639.db2.gz OMXZVBCGPIBZCX-UWVGGRQHSA-N 1 3 215.341 0.618 20 0 BCADHO CN(CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)CC(C)(C)C ZINC000638244785 352092472 /nfs/dbraw/zinc/09/24/72/352092472.db2.gz ZCYPMMXQIXBXGU-IAZYJMLFSA-N 1 3 239.363 0.298 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000638243571 352094081 /nfs/dbraw/zinc/09/40/81/352094081.db2.gz BHDHVQDWPIIOJM-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000638252110 352095422 /nfs/dbraw/zinc/09/54/22/352095422.db2.gz PDKMXZQGUWAPLD-GHMZBOCLSA-N 1 3 229.368 0.994 20 0 BCADHO CN(CC(=O)N(C)C1CC([NH3+])C1)CC(C)(C)C ZINC000638254518 352097725 /nfs/dbraw/zinc/09/77/25/352097725.db2.gz AYJXWFJVSQHIPL-UHFFFAOYSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000638256533 352099295 /nfs/dbraw/zinc/09/92/95/352099295.db2.gz PZMSSSBKHUNLFQ-AEJSXWLSSA-N 1 3 215.341 0.602 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000638255850 352099482 /nfs/dbraw/zinc/09/94/82/352099482.db2.gz MSZVAVNHVXNKCJ-NWDGAFQWSA-N 1 3 249.314 0.461 20 0 BCADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000083961326 352106797 /nfs/dbraw/zinc/10/67/97/352106797.db2.gz KPYCVRNGFXASDU-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)C[N@H+]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000083961326 352106801 /nfs/dbraw/zinc/10/68/01/352106801.db2.gz KPYCVRNGFXASDU-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)CC[NH3+] ZINC000638343362 352162341 /nfs/dbraw/zinc/16/23/41/352162341.db2.gz MEFXYRUNPSRJLR-SECBINFHSA-N 1 3 201.314 0.167 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375927 352185917 /nfs/dbraw/zinc/18/59/17/352185917.db2.gz JUMKUDKCKZUWRX-QWRGUYRKSA-N 1 3 239.363 0.775 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)N(C)C ZINC000638325801 352145452 /nfs/dbraw/zinc/14/54/52/352145452.db2.gz GYYZOIPUEZNFQS-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000638404335 352210719 /nfs/dbraw/zinc/21/07/19/352210719.db2.gz ALASKKZUDHIDAL-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)[C@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000638487630 352296358 /nfs/dbraw/zinc/29/63/58/352296358.db2.gz CEEJVKHXVDHLJP-RKDXNWHRSA-N 1 3 249.305 0.425 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638489667 352300553 /nfs/dbraw/zinc/30/05/53/352300553.db2.gz NIBGPTFDSTVMHE-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(CC)CC[NH3+] ZINC000638519487 352352324 /nfs/dbraw/zinc/35/23/24/352352324.db2.gz VTVCMFDLVFPHDB-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509094 352332137 /nfs/dbraw/zinc/33/21/37/352332137.db2.gz RABGRABIEMWJDL-YUMQZZPRSA-N 1 3 247.289 0.370 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638513598 352339082 /nfs/dbraw/zinc/33/90/82/352339082.db2.gz NQVDGRNZGKZJAZ-NXEZZACHSA-N 1 3 225.336 0.385 20 0 BCADHO CCN(CC[NH3+])C(=O)C1(N)CCCCC1 ZINC000638522483 352355858 /nfs/dbraw/zinc/35/58/58/352355858.db2.gz HTOTXKFXQHKEEG-UHFFFAOYSA-N 1 3 213.325 0.455 20 0 BCADHO CCN(CC[NH3+])C(=O)CN(C)C(C)C ZINC000638517099 352347255 /nfs/dbraw/zinc/34/72/55/352347255.db2.gz MOIDCXWHSZJRBX-UHFFFAOYSA-N 1 3 201.314 0.134 20 0 BCADHO CCN(CC[NH3+])C(=O)CN1CCC(C)CC1 ZINC000638517765 352348980 /nfs/dbraw/zinc/34/89/80/352348980.db2.gz DWVRDONZHDPSQU-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000638528477 352361710 /nfs/dbraw/zinc/36/17/10/352361710.db2.gz IIQVLAGHDAFYGW-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000638528300 352362844 /nfs/dbraw/zinc/36/28/44/352362844.db2.gz DWKWFORBWOYJLU-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638535906 352367352 /nfs/dbraw/zinc/36/73/52/352367352.db2.gz SXWBIVZVBHWSIV-NSHDSACASA-N 1 3 243.351 0.128 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC000638572678 352401238 /nfs/dbraw/zinc/40/12/38/352401238.db2.gz UCDKURMBFWNWED-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000336741323 352378722 /nfs/dbraw/zinc/37/87/22/352378722.db2.gz NDATXLTWNPVCPO-ZJUUUORDSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1CC)N(C)C ZINC000638575477 352402407 /nfs/dbraw/zinc/40/24/07/352402407.db2.gz ICKUXQQPMPJIIH-AXFHLTTASA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000638641171 352483228 /nfs/dbraw/zinc/48/32/28/352483228.db2.gz DGDAFGOTEZSABI-GRYCIOLGSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000638641187 352483329 /nfs/dbraw/zinc/48/33/29/352483329.db2.gz DGDAFGOTEZSABI-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638641694 352484665 /nfs/dbraw/zinc/48/46/65/352484665.db2.gz TYSIWRQOXKVSFK-WCBMZHEXSA-N 1 3 236.319 0.517 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@H](N)C2CCC2)C[NH2+]1 ZINC000638641558 352484758 /nfs/dbraw/zinc/48/47/58/352484758.db2.gz DRMGTGYVLOAGKY-FBIMIBRVSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638643905 352486290 /nfs/dbraw/zinc/48/62/90/352486290.db2.gz NEAGIMFMEYPDFD-QWRGUYRKSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)C2CCN(C)CC2)C[NH2+]1 ZINC000638644877 352488534 /nfs/dbraw/zinc/48/85/34/352488534.db2.gz IRHJYBMYJGUHCU-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)C2(N)CCC2)C[NH2+]1 ZINC000638646046 352490080 /nfs/dbraw/zinc/49/00/80/352490080.db2.gz XLLXBDHLXYMZLN-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2)C[NH2+]1 ZINC000638653766 352494679 /nfs/dbraw/zinc/49/46/79/352494679.db2.gz HBRNITLEMYCTBK-GMTAPVOTSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2)C[NH2+]1 ZINC000638653768 352495353 /nfs/dbraw/zinc/49/53/53/352495353.db2.gz HBRNITLEMYCTBK-MXWKQRLJSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)C2(N)CCCC2)C[NH2+]1 ZINC000638654215 352496944 /nfs/dbraw/zinc/49/69/44/352496944.db2.gz KRMJUIMOFGNTDM-UWVGGRQHSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)C2(N)CCCCC2)C[NH2+]1 ZINC000638655883 352498732 /nfs/dbraw/zinc/49/87/32/352498732.db2.gz RSAQKNYSHHTWNX-QWRGUYRKSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000040456441 352597068 /nfs/dbraw/zinc/59/70/68/352597068.db2.gz QNCTYLPLEIVUAZ-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000040456441 352597071 /nfs/dbraw/zinc/59/70/71/352597071.db2.gz QNCTYLPLEIVUAZ-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CCSC ZINC000040457907 352598043 /nfs/dbraw/zinc/59/80/43/352598043.db2.gz PYKVKJVBHBXXSD-JTQLQIEISA-N 1 3 247.408 0.525 20 0 BCADHO C[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670646 352603768 /nfs/dbraw/zinc/60/37/68/352603768.db2.gz UFAYGOWCKXXSTQ-NTZNESFSSA-N 1 3 241.379 0.960 20 0 BCADHO CCN1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042170467 352615548 /nfs/dbraw/zinc/61/55/48/352615548.db2.gz GXCHKLLHYNBBAP-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](C(=O)NC1CC1)N1CCC(C[NH3+])CC1 ZINC000044514440 352653545 /nfs/dbraw/zinc/65/35/45/352653545.db2.gz CWKSMTZYDNYSAR-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000044806158 352656968 /nfs/dbraw/zinc/65/69/68/352656968.db2.gz UCIVEVHYWBZIKI-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)N(CCC1CC[NH2+]CC1)CC(N)=O ZINC000042429069 352621726 /nfs/dbraw/zinc/62/17/26/352621726.db2.gz NQHXGLUIWYKUOG-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000638766390 352703449 /nfs/dbraw/zinc/70/34/49/352703449.db2.gz VLBWHGIHACRAMY-UKKRHICBSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CNCCC1(F)F ZINC000638767217 352706611 /nfs/dbraw/zinc/70/66/11/352706611.db2.gz BCZUNGKXOBNXOL-XHNCKOQMSA-N 1 3 247.289 0.098 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767580 352707513 /nfs/dbraw/zinc/70/75/13/352707513.db2.gz GZOVECIODYNYAL-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(N)CCCC1 ZINC000638774066 352720074 /nfs/dbraw/zinc/72/00/74/352720074.db2.gz WYOPDRKNHBJOKL-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334185718 352774624 /nfs/dbraw/zinc/77/46/24/352774624.db2.gz CDZVHPNVOZHDTH-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334185718 352774625 /nfs/dbraw/zinc/77/46/25/352774625.db2.gz CDZVHPNVOZHDTH-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)C1(NC2CC2)CCC1 ZINC000638792245 352753706 /nfs/dbraw/zinc/75/37/06/352753706.db2.gz GKAGVUZNKDSWEO-SNVBAGLBSA-N 1 3 223.320 0.139 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000627068485 363200078 /nfs/dbraw/zinc/20/00/78/363200078.db2.gz KLBZSTWHDPKQPC-LLVKDONJSA-N 1 3 240.351 0.132 20 0 BCADHO N[C@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CCC1 ZINC000638816519 352997154 /nfs/dbraw/zinc/99/71/54/352997154.db2.gz NRRXDZUJWJNEIA-NEPJUHHUSA-N 1 3 239.363 0.844 20 0 BCADHO CC[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822991 353004481 /nfs/dbraw/zinc/00/44/81/353004481.db2.gz NRAIMCVVWQRPPE-UWVGGRQHSA-N 1 3 213.325 0.454 20 0 BCADHO C[C@H](N)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860055 353036028 /nfs/dbraw/zinc/03/60/28/353036028.db2.gz UKZFLZSNFVUCOW-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CN(C)CCOCC[NH2+]CC1(C)CC1 ZINC000379588034 538107560 /nfs/dbraw/zinc/10/75/60/538107560.db2.gz SWLXIBJULASCGO-UHFFFAOYSA-N 1 3 200.326 0.954 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(CC)CC ZINC000638913833 353072070 /nfs/dbraw/zinc/07/20/70/353072070.db2.gz DYLARVOLVXTPCR-SRVKXCTJSA-N 1 3 239.363 0.680 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911130 353075678 /nfs/dbraw/zinc/07/56/78/353075678.db2.gz ZKPPPJGQJRBKIC-ATZCPNFKSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@@H]1CSCCN1 ZINC000638937292 353110252 /nfs/dbraw/zinc/11/02/52/353110252.db2.gz SUZAGSRDIHHYNL-OPRDCNLKSA-N 1 3 243.376 0.030 20 0 BCADHO N[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000638937220 353110305 /nfs/dbraw/zinc/11/03/05/353110305.db2.gz ITQCLHJYEGGNDK-OUAUKWLOSA-N 1 3 223.320 0.077 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919989 353078746 /nfs/dbraw/zinc/07/87/46/353078746.db2.gz XCCUWRRMCCLUEP-ZNSHCXBVSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000638924885 353085529 /nfs/dbraw/zinc/08/55/29/353085529.db2.gz HUKNDGTWFHOKNA-GRYCIOLGSA-N 1 3 239.363 0.535 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925506 353086078 /nfs/dbraw/zinc/08/60/78/353086078.db2.gz PBZOOOFXISSLAJ-PHIMTYICSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN(C)CC(C)(C)C ZINC000638931405 353092427 /nfs/dbraw/zinc/09/24/27/353092427.db2.gz PKCHHDHFDIRXHX-MNOVXSKESA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CCN(C)CC1 ZINC000638935109 353099930 /nfs/dbraw/zinc/09/99/30/353099930.db2.gz LWCGPBYSLIWAPR-MWLCHTKSSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937062 353100554 /nfs/dbraw/zinc/10/05/54/353100554.db2.gz DWMHTJOZKOHLPX-YFKTTZPYSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000110653810 188006598 /nfs/dbraw/zinc/00/65/98/188006598.db2.gz VRDYVPZWOWQDGR-NSHDSACASA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000110653810 188006600 /nfs/dbraw/zinc/00/66/00/188006600.db2.gz VRDYVPZWOWQDGR-NSHDSACASA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133433 188006939 /nfs/dbraw/zinc/00/69/39/188006939.db2.gz JKSTWYLUVLCZSE-JTQLQIEISA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133433 188006940 /nfs/dbraw/zinc/00/69/40/188006940.db2.gz JKSTWYLUVLCZSE-JTQLQIEISA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH+](C)C)N(C)C ZINC000346143967 188052073 /nfs/dbraw/zinc/05/20/73/188052073.db2.gz TVLPLSXPUTXQSK-GHMZBOCLSA-N 1 3 229.368 0.639 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639022176 353277130 /nfs/dbraw/zinc/27/71/30/353277130.db2.gz YMIXMMRHYCKOTL-JQWIXIFHSA-N 1 3 247.342 0.888 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639022651 353278394 /nfs/dbraw/zinc/27/83/94/353278394.db2.gz OFESKHKJWXFIIZ-CKYFFXLPSA-N 1 3 227.352 0.890 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639025502 353284355 /nfs/dbraw/zinc/28/43/55/353284355.db2.gz YMIXMMRHYCKOTL-ZYHUDNBSSA-N 1 3 247.342 0.888 20 0 BCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000251863794 353292795 /nfs/dbraw/zinc/29/27/95/353292795.db2.gz SSHLECNLALBECW-SRVKXCTJSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000165395366 353336155 /nfs/dbraw/zinc/33/61/55/353336155.db2.gz ZJTBOPNSRAYPRX-LPEHRKFASA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)[C@H](C)[NH3+] ZINC000165395488 353336263 /nfs/dbraw/zinc/33/62/63/353336263.db2.gz ZJTBOPNSRAYPRX-KXUCPTDWSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)N)CC1 ZINC000037804612 188327609 /nfs/dbraw/zinc/32/76/09/188327609.db2.gz QUEHJZUAJYYVRR-JTQLQIEISA-N 1 3 227.352 0.665 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000336731322 188344812 /nfs/dbraw/zinc/34/48/12/188344812.db2.gz FEJCEYJZEIBGME-ZJUUUORDSA-N 1 3 215.341 0.459 20 0 BCADHO CNCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639068847 353378867 /nfs/dbraw/zinc/37/88/67/353378867.db2.gz JXMMTGLHFAOJAY-SNVBAGLBSA-N 1 3 233.315 0.685 20 0 BCADHO CNCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639068843 353379108 /nfs/dbraw/zinc/37/91/08/353379108.db2.gz JXMMTGLHFAOJAY-JTQLQIEISA-N 1 3 233.315 0.685 20 0 BCADHO CC(C)[NH+](CCNC(=O)[C@H](C)N)C(C)C ZINC000019503797 188350335 /nfs/dbraw/zinc/35/03/35/188350335.db2.gz OEEWAQSZJRUJKY-JTQLQIEISA-N 1 3 215.341 0.569 20 0 BCADHO CC(C)[NH+]1CCC(N[C@@H]2CCC(=O)NC2)CC1 ZINC000111016256 188354363 /nfs/dbraw/zinc/35/43/63/188354363.db2.gz CHGPNXNJJFLZJY-GFCCVEGCSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000165605124 353405765 /nfs/dbraw/zinc/40/57/65/353405765.db2.gz BSOWTVUKSDCEEQ-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)N1CCCN(C(=O)NCCC[NH3+])CC1 ZINC000332010064 188368997 /nfs/dbraw/zinc/36/89/97/188368997.db2.gz PMHREVPBSNWAND-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO [NH3+]CCN1CCNC[C@H]1c1ccccc1 ZINC000165680041 353446183 /nfs/dbraw/zinc/44/61/83/353446183.db2.gz POGULABTNNMVHZ-LBPRGKRZSA-N 1 3 205.305 0.592 20 0 BCADHO CC1(C)SC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1 ZINC000393825893 353455179 /nfs/dbraw/zinc/45/51/79/353455179.db2.gz GORFEOAETCZZSO-QWRGUYRKSA-N 1 3 244.404 0.927 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000040922651 188396697 /nfs/dbraw/zinc/39/66/97/188396697.db2.gz PYZOMOXTUIFUMC-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000040922651 188396699 /nfs/dbraw/zinc/39/66/99/188396699.db2.gz PYZOMOXTUIFUMC-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[NH+]1CCCC1 ZINC000040459917 188396884 /nfs/dbraw/zinc/39/68/84/188396884.db2.gz CJEHLRGGMFDIHI-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CCSCC1 ZINC000230934311 353548795 /nfs/dbraw/zinc/54/87/95/353548795.db2.gz QZTGFISMGVWPQC-RYUDHWBXSA-N 1 3 243.420 0.752 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000230934311 353548798 /nfs/dbraw/zinc/54/87/98/353548798.db2.gz QZTGFISMGVWPQC-RYUDHWBXSA-N 1 3 243.420 0.752 20 0 BCADHO COCCN(C)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192098182 353542082 /nfs/dbraw/zinc/54/20/82/353542082.db2.gz CUTHTIWRNSBMQE-GHMZBOCLSA-N 1 3 245.367 0.054 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C1(N)CCC1 ZINC000220121611 353822305 /nfs/dbraw/zinc/82/23/05/353822305.db2.gz UJUWVYXTMAKFJP-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(N)CCC1 ZINC000220121611 353822308 /nfs/dbraw/zinc/82/23/08/353822308.db2.gz UJUWVYXTMAKFJP-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000220314902 353833597 /nfs/dbraw/zinc/83/35/97/353833597.db2.gz AYRFDIJGXXTTEH-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)[C@H]1C ZINC000343432619 353884273 /nfs/dbraw/zinc/88/42/73/353884273.db2.gz HHEMNJKRJVMOOC-BJDJZHNGSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)N1CCCN(C(=O)C[C@H](C)[NH3+])CC1 ZINC000334522121 353888712 /nfs/dbraw/zinc/88/87/12/353888712.db2.gz ZGCYTQLHFDELRU-NSHDSACASA-N 1 3 227.352 0.666 20 0 BCADHO CC1(C(=O)Nc2cccc3c2CCNC3)C[NH2+]C1 ZINC000577947335 366125469 /nfs/dbraw/zinc/12/54/69/366125469.db2.gz RXFOAVKSLKIISJ-UHFFFAOYSA-N 1 3 245.326 0.880 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366844077 353983782 /nfs/dbraw/zinc/98/37/82/353983782.db2.gz MRWCWPGFTVPIMW-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@@H](N)CC(C)C)CC1 ZINC000038098261 358484394 /nfs/dbraw/zinc/48/43/94/358484394.db2.gz OQSVKCBNHRRIFA-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000449707584 202007362 /nfs/dbraw/zinc/00/73/62/202007362.db2.gz RTMWQSHGIZWVDL-LLVKDONJSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449724783 202008150 /nfs/dbraw/zinc/00/81/50/202008150.db2.gz NHEWCVKJTUPBSF-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N(C)C ZINC000449723769 202008517 /nfs/dbraw/zinc/00/85/17/202008517.db2.gz MEJWKWBDAFGUBC-QJPTWQEYSA-N 1 3 241.379 0.816 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000627134990 363351424 /nfs/dbraw/zinc/35/14/24/363351424.db2.gz KSQIUQAWYDPCCY-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](CC(=O)N(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000344306822 354216189 /nfs/dbraw/zinc/21/61/89/354216189.db2.gz YEMVDVXXIABXFW-NSHDSACASA-N 1 3 239.363 0.705 20 0 BCADHO FC1(F)CNCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000334614745 354300217 /nfs/dbraw/zinc/30/02/17/354300217.db2.gz DRBVYCBUOKVIMB-WDEREUQCSA-N 1 3 247.333 0.963 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000334614745 354300222 /nfs/dbraw/zinc/30/02/22/354300222.db2.gz DRBVYCBUOKVIMB-WDEREUQCSA-N 1 3 247.333 0.963 20 0 BCADHO CC1(C)CN(C(=O)[C@H]([NH3+])C2CCC2)CCN1 ZINC000334659936 354456674 /nfs/dbraw/zinc/45/66/74/354456674.db2.gz CUOLZBOZMWYXBQ-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000334722811 354522854 /nfs/dbraw/zinc/52/28/54/354522854.db2.gz KNSLPGGQHMDNRG-LLVKDONJSA-N 1 3 237.347 0.245 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000334722811 354522857 /nfs/dbraw/zinc/52/28/57/354522857.db2.gz KNSLPGGQHMDNRG-LLVKDONJSA-N 1 3 237.347 0.245 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000345690766 354732703 /nfs/dbraw/zinc/73/27/03/354732703.db2.gz KXXBQJZZBMZNCM-BDAKNGLRSA-N 1 3 249.305 0.425 20 0 BCADHO CCCN(C)CC(=O)NCCOCC[NH+](C)C ZINC000345956539 354819932 /nfs/dbraw/zinc/81/99/32/354819932.db2.gz KLUYACSJSTZPLI-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO C[NH2+]CCCN1CCC[C@H](COC)C1 ZINC000234392262 363421482 /nfs/dbraw/zinc/42/14/82/363421482.db2.gz SDOZPTHAHZSVAK-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+]1CCC[C@H](COC)C1 ZINC000234392262 363421485 /nfs/dbraw/zinc/42/14/85/363421485.db2.gz SDOZPTHAHZSVAK-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@H+]1CCC[C@H](COC)C1 ZINC000234392262 363421492 /nfs/dbraw/zinc/42/14/92/363421492.db2.gz SDOZPTHAHZSVAK-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCN(C)C ZINC000627165814 363406373 /nfs/dbraw/zinc/40/63/73/363406373.db2.gz HRSNYFYRDLOQEG-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CCN(CCn1cncn1)[C@H]1CCC[NH2+]CC1 ZINC000435629756 191325329 /nfs/dbraw/zinc/32/53/29/191325329.db2.gz YDYLKPXMRPRRGT-LBPRGKRZSA-N 1 3 237.351 0.742 20 0 BCADHO CN(C)C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000346844088 355134261 /nfs/dbraw/zinc/13/42/61/355134261.db2.gz YTCCNBGUPKFKQZ-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503640 358493788 /nfs/dbraw/zinc/49/37/88/358493788.db2.gz WXLANANQACWFBT-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO COC[C@@](C)(CCO)NC[C@H]1CCC[NH2+]C1 ZINC000346982279 355184796 /nfs/dbraw/zinc/18/47/96/355184796.db2.gz NWDSKDODARMEJO-NWDGAFQWSA-N 1 3 230.352 0.363 20 0 BCADHO NC(=O)C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000347002296 355200846 /nfs/dbraw/zinc/20/08/46/355200846.db2.gz ITEJVSYYUJIXGT-VXGBXAGGSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000347002296 355200847 /nfs/dbraw/zinc/20/08/47/355200847.db2.gz ITEJVSYYUJIXGT-VXGBXAGGSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000347002296 355200848 /nfs/dbraw/zinc/20/08/48/355200848.db2.gz ITEJVSYYUJIXGT-VXGBXAGGSA-N 1 3 239.363 0.573 20 0 BCADHO O[C@H]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623748936 355297527 /nfs/dbraw/zinc/29/75/27/355297527.db2.gz OJWXEDZOSYKUIN-ZDEQEGDKSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623748936 355297531 /nfs/dbraw/zinc/29/75/31/355297531.db2.gz OJWXEDZOSYKUIN-ZDEQEGDKSA-N 1 3 224.348 0.974 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N)C1 ZINC000166352982 355387123 /nfs/dbraw/zinc/38/71/23/355387123.db2.gz HYAFWPUHZFKSDY-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)N)C1 ZINC000166352982 355387127 /nfs/dbraw/zinc/38/71/27/355387127.db2.gz HYAFWPUHZFKSDY-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000349961598 355541049 /nfs/dbraw/zinc/54/10/49/355541049.db2.gz MSQAIHWARFVKMD-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)C1CCN(C)CC1 ZINC000349910949 355524902 /nfs/dbraw/zinc/52/49/02/355524902.db2.gz BAWHXAPDPGOEJW-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[C@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415063368 191664675 /nfs/dbraw/zinc/66/46/75/191664675.db2.gz OFCLRDMMQRWKAU-KIJLLGNVSA-N 1 3 224.348 0.997 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000349984338 355569744 /nfs/dbraw/zinc/56/97/44/355569744.db2.gz DCOUWQNABKRDJC-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO COC[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600682 355814768 /nfs/dbraw/zinc/81/47/68/355814768.db2.gz QCZWVLGCFBNUSA-CHWSQXEVSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600682 355814772 /nfs/dbraw/zinc/81/47/72/355814772.db2.gz QCZWVLGCFBNUSA-CHWSQXEVSA-N 1 3 244.379 0.702 20 0 BCADHO CC[C@H](C(=O)N(C)CC[NH2+]C)N(CC)CC ZINC000352092737 134061360 /nfs/dbraw/zinc/06/13/60/134061360.db2.gz WUMGXBIFHQBODF-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO [NH3+][C@@H]1CC[C@H]2CN(CCN3CCCC3=O)C[C@H]12 ZINC000351488177 355999874 /nfs/dbraw/zinc/99/98/74/355999874.db2.gz DXWIAYJGXAXAPJ-SDDRHHMPSA-N 1 3 237.347 0.278 20 0 BCADHO C[NH2+]CCCNC(=O)NCC1(N(C)C)CCC1 ZINC000418056363 191959170 /nfs/dbraw/zinc/95/91/70/191959170.db2.gz HLVAJKZOCLYHDJ-UHFFFAOYSA-N 1 3 242.367 0.379 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000418270883 192009936 /nfs/dbraw/zinc/00/99/36/192009936.db2.gz ZIFQDIUORQPOGY-QWRGUYRKSA-N 1 3 244.383 0.753 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C ZINC000418267342 192009974 /nfs/dbraw/zinc/00/99/74/192009974.db2.gz WJKGADGQYGOEEE-OUAUKWLOSA-N 1 3 242.367 0.315 20 0 BCADHO CCN1CCCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418281443 192014054 /nfs/dbraw/zinc/01/40/54/192014054.db2.gz DFFXSLGHJVVRQC-UHFFFAOYSA-N 1 3 242.367 0.333 20 0 BCADHO CC[NH2+]CCNC(=O)N(C)CCN1CCCC1 ZINC000418320649 192023801 /nfs/dbraw/zinc/02/38/01/192023801.db2.gz VUQSLPXQSMXLIK-UHFFFAOYSA-N 1 3 242.367 0.333 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333150712 356263425 /nfs/dbraw/zinc/26/34/25/356263425.db2.gz FDVCOXPKTZBACC-GHMZBOCLSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420319083 192195150 /nfs/dbraw/zinc/19/51/50/192195150.db2.gz OUWBHBDHOYRENH-WDEREUQCSA-N 1 3 228.336 0.997 20 0 BCADHO CC(C)OC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420319080 192195263 /nfs/dbraw/zinc/19/52/63/192195263.db2.gz OUWBHBDHOYRENH-QWRGUYRKSA-N 1 3 228.336 0.997 20 0 BCADHO C[C@H](CN1CCOCC1)[N@H+](C)CC(C)(C)CN ZINC000420289985 192201242 /nfs/dbraw/zinc/20/12/42/192201242.db2.gz LAWUTOYIFHBOMN-GFCCVEGCSA-N 1 3 243.395 0.624 20 0 BCADHO C[C@H](CN1CCOCC1)[N@@H+](C)CC(C)(C)CN ZINC000420289985 192201244 /nfs/dbraw/zinc/20/12/44/192201244.db2.gz LAWUTOYIFHBOMN-GFCCVEGCSA-N 1 3 243.395 0.624 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420303971 192207180 /nfs/dbraw/zinc/20/71/80/192207180.db2.gz IDXRSKFLKVBMLJ-GARJFASQSA-N 1 3 226.320 0.609 20 0 BCADHO COC[C@H]1CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000420295268 192202483 /nfs/dbraw/zinc/20/24/83/192202483.db2.gz CCGJIAPFDYQIIW-QWHCGFSZSA-N 1 3 242.363 0.723 20 0 BCADHO CC(C)OC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420313489 192213147 /nfs/dbraw/zinc/21/31/47/192213147.db2.gz UCPFVKWWCYYLOG-QWRGUYRKSA-N 1 3 228.336 0.997 20 0 BCADHO CC(C)[C@H]1C(=O)NCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420307585 192209754 /nfs/dbraw/zinc/20/97/54/192209754.db2.gz RLSDGOVOUSEVFN-RYUDHWBXSA-N 1 3 239.363 0.442 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000420309697 192210862 /nfs/dbraw/zinc/21/08/62/192210862.db2.gz FBOOAVCIVIXEDD-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000420309697 192210863 /nfs/dbraw/zinc/21/08/63/192210863.db2.gz FBOOAVCIVIXEDD-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420309697 192210865 /nfs/dbraw/zinc/21/08/65/192210865.db2.gz FBOOAVCIVIXEDD-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)OC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420313487 192212159 /nfs/dbraw/zinc/21/21/59/192212159.db2.gz UCPFVKWWCYYLOG-GHMZBOCLSA-N 1 3 228.336 0.997 20 0 BCADHO CCN(C)C(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420371525 192226859 /nfs/dbraw/zinc/22/68/59/192226859.db2.gz XBDGTQAHQIDMPC-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCN(C)C(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420371525 192226861 /nfs/dbraw/zinc/22/68/61/192226861.db2.gz XBDGTQAHQIDMPC-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]1CN(CC[N@H+](C)[C@H](CN)C2CC2)CCO1 ZINC000420323018 192227992 /nfs/dbraw/zinc/22/79/92/192227992.db2.gz XNNDPLUCLDFREE-WCQYABFASA-N 1 3 241.379 0.376 20 0 BCADHO C[C@H]1CN(CC[N@@H+](C)[C@H](CN)C2CC2)CCO1 ZINC000420323018 192227993 /nfs/dbraw/zinc/22/79/93/192227993.db2.gz XNNDPLUCLDFREE-WCQYABFASA-N 1 3 241.379 0.376 20 0 BCADHO [NH3+]CCOCCN1CCOCC2(CCC2)C1 ZINC000420372186 192228955 /nfs/dbraw/zinc/22/89/55/192228955.db2.gz LJRSHMWSTBWGPT-UHFFFAOYSA-N 1 3 228.336 0.464 20 0 BCADHO CCNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329520 192230013 /nfs/dbraw/zinc/23/00/13/192230013.db2.gz OMOGCSYQJDKUAY-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO CCOC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420324324 192230344 /nfs/dbraw/zinc/23/03/44/192230344.db2.gz VJEHQQVNVDZHNP-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO COC(=O)[C@@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420357026 192220010 /nfs/dbraw/zinc/22/00/10/192220010.db2.gz HJYSHGKAHPDBIQ-MNOVXSKESA-N 1 3 226.320 0.623 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCCN1CCOCC1 ZINC000420363940 192224030 /nfs/dbraw/zinc/22/40/30/192224030.db2.gz OLUVOQYSBKIVHT-GFCCVEGCSA-N 1 3 243.395 0.672 20 0 BCADHO COCCCN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420365672 192224209 /nfs/dbraw/zinc/22/42/09/192224209.db2.gz LKIHDHNCILUKQU-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCn1cccn1 ZINC000420363836 192224323 /nfs/dbraw/zinc/22/43/23/192224323.db2.gz OFSQEDDGDPLYQP-SNVBAGLBSA-N 1 3 210.325 0.846 20 0 BCADHO [NH3+]C[C@H]1CN(CC[C@@H]2CCCCO2)CCCO1 ZINC000420389877 192235759 /nfs/dbraw/zinc/23/57/59/192235759.db2.gz MIIZWWZEGVSXSZ-STQMWFEESA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@H]1C[N@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389877 192235761 /nfs/dbraw/zinc/23/57/61/192235761.db2.gz MIIZWWZEGVSXSZ-STQMWFEESA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@H]1C[N@@H+](CC[C@@H]2CCCCO2)CCCO1 ZINC000420389877 192235762 /nfs/dbraw/zinc/23/57/62/192235762.db2.gz MIIZWWZEGVSXSZ-STQMWFEESA-N 1 3 242.363 0.995 20 0 BCADHO CC[NH+](CC)CCC[C@H](C)NC(=O)CNC ZINC000019512520 356484368 /nfs/dbraw/zinc/48/43/68/356484368.db2.gz FKGPBGDKPOKRAV-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+][C@@H](C)CCN1CCOCC1 ZINC000422913160 192504225 /nfs/dbraw/zinc/50/42/25/192504225.db2.gz PCXIFBUIEQZHTO-RWMBFGLXSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627200194 363497907 /nfs/dbraw/zinc/49/79/07/363497907.db2.gz LUFQVYGEOFYMNR-GHMZBOCLSA-N 1 3 242.367 0.330 20 0 BCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(N)CCC1 ZINC000336215751 134136758 /nfs/dbraw/zinc/13/67/58/134136758.db2.gz HJQQFBZRUUFKHM-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1(N)CCC1 ZINC000336215751 134136759 /nfs/dbraw/zinc/13/67/59/134136759.db2.gz HJQQFBZRUUFKHM-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422964843 192528056 /nfs/dbraw/zinc/52/80/56/192528056.db2.gz JWRDJOIHXLSYDY-MNOVXSKESA-N 1 3 241.379 0.866 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@H](C)C[C@@H](C)[NH3+] ZINC000422974953 192533362 /nfs/dbraw/zinc/53/33/62/192533362.db2.gz FSYFIDVNRPTAIY-DOLQZWNJSA-N 1 3 220.382 0.814 20 0 BCADHO CC[C@@](C)(O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767142 356696576 /nfs/dbraw/zinc/69/65/76/356696576.db2.gz PZHBZSFKYRYFNS-CHWSQXEVSA-N 1 3 244.379 0.536 20 0 BCADHO COC(=O)C1(CN2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000450399596 202153950 /nfs/dbraw/zinc/15/39/50/202153950.db2.gz DNPAXAOWQWTHDT-LLVKDONJSA-N 1 3 240.347 0.823 20 0 BCADHO CCN1CCC(N(C)C(=O)CCC[NH3+])CC1 ZINC000036135377 356706725 /nfs/dbraw/zinc/70/67/25/356706725.db2.gz AOQGEHMGZKHBKJ-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO C[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335625 356721425 /nfs/dbraw/zinc/72/14/25/356721425.db2.gz WCSXWLPRYVEPJA-UWVGGRQHSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335625 356721431 /nfs/dbraw/zinc/72/14/31/356721431.db2.gz WCSXWLPRYVEPJA-UWVGGRQHSA-N 1 3 200.326 0.830 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000358842180 356878502 /nfs/dbraw/zinc/87/85/02/356878502.db2.gz WQTQURUGMKKYMM-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCN1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000362910641 356950710 /nfs/dbraw/zinc/95/07/10/356950710.db2.gz LFCBKCLXGPMVPW-FNORWQNLSA-N 1 3 239.363 0.658 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)C1CCOCC1 ZINC000390633278 357108388 /nfs/dbraw/zinc/10/83/88/357108388.db2.gz JCHSRAQSCKWRDA-LBPRGKRZSA-N 1 3 230.352 0.410 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)C1CCOCC1 ZINC000390633278 357108392 /nfs/dbraw/zinc/10/83/92/357108392.db2.gz JCHSRAQSCKWRDA-LBPRGKRZSA-N 1 3 230.352 0.410 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000390663052 357110267 /nfs/dbraw/zinc/11/02/67/357110267.db2.gz SUPCISPMHFGFRW-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@H](C)[NH3+] ZINC000582419790 357143390 /nfs/dbraw/zinc/14/33/90/357143390.db2.gz HLVKSBVXNPWWBM-UMNHJUIQSA-N 1 3 235.331 0.408 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CO)CC1 ZINC000393564976 357287710 /nfs/dbraw/zinc/28/77/10/357287710.db2.gz QBXUWYUQWFJHNK-OLZOCXBDSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CO)CC1 ZINC000393564976 357287712 /nfs/dbraw/zinc/28/77/12/357287712.db2.gz QBXUWYUQWFJHNK-OLZOCXBDSA-N 1 3 244.379 0.393 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217362535 357259941 /nfs/dbraw/zinc/25/99/41/357259941.db2.gz JHOFEGXERBREBJ-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217362535 357259945 /nfs/dbraw/zinc/25/99/45/357259945.db2.gz JHOFEGXERBREBJ-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO CCOC[C@@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000582490291 357319590 /nfs/dbraw/zinc/31/95/90/357319590.db2.gz ACPHNMAPTHDRNC-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@@H]1CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000582490291 357319592 /nfs/dbraw/zinc/31/95/92/357319592.db2.gz ACPHNMAPTHDRNC-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@@H]1CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000582490291 357319596 /nfs/dbraw/zinc/31/95/96/357319596.db2.gz ACPHNMAPTHDRNC-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000582605313 357349402 /nfs/dbraw/zinc/34/94/02/357349402.db2.gz PJNKCHMXJJABAM-JQWIXIFHSA-N 1 3 235.331 0.582 20 0 BCADHO Cn1nncc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000395040589 357409695 /nfs/dbraw/zinc/40/96/95/357409695.db2.gz XNCBQJOGZMXBHX-PHIMTYICSA-N 1 3 235.335 0.247 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C ZINC000582844350 357415102 /nfs/dbraw/zinc/41/51/02/357415102.db2.gz JBYGEQPUXWLWJO-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@H](N)C1CCC1 ZINC000582961748 357439195 /nfs/dbraw/zinc/43/91/95/357439195.db2.gz BIROMEISTZDHCB-SNVBAGLBSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](c1cccnc1)N1CCC(O)(C[NH3+])CC1 ZINC000397048961 357499528 /nfs/dbraw/zinc/49/95/28/357499528.db2.gz QEYZBOSAGPSVPX-LLVKDONJSA-N 1 3 235.331 0.928 20 0 BCADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000583023699 357452484 /nfs/dbraw/zinc/45/24/84/357452484.db2.gz GJYRLVSOGAFTIQ-MNOVXSKESA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)N ZINC000132002416 325194553 /nfs/dbraw/zinc/19/45/53/325194553.db2.gz RQNLZDLCRNWXMJ-DTWKUNHWSA-N 1 3 201.314 0.165 20 0 BCADHO CNCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188705528 357565842 /nfs/dbraw/zinc/56/58/42/357565842.db2.gz RQZJFVGBQNAILM-UHFFFAOYSA-N 1 3 219.288 0.125 20 0 BCADHO C[NH2+]CC(=O)NCc1ccc2c(c1)CNC2 ZINC000188705528 357565843 /nfs/dbraw/zinc/56/58/43/357565843.db2.gz RQZJFVGBQNAILM-UHFFFAOYSA-N 1 3 219.288 0.125 20 0 BCADHO CN(C(=O)[C@H]1C[C@H](F)CN1)C1CC[NH+](C)CC1 ZINC000188801593 357587346 /nfs/dbraw/zinc/58/73/46/357587346.db2.gz KSBULHXQLPNAIP-GXSJLCMTSA-N 1 3 243.326 0.239 20 0 BCADHO CN1CCC(O)(C[NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000397552042 357597509 /nfs/dbraw/zinc/59/75/09/357597509.db2.gz XFZRCEZIDKPEEK-LLVKDONJSA-N 1 3 242.363 0.600 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000040469072 357609014 /nfs/dbraw/zinc/60/90/14/357609014.db2.gz RTFREHCGZIXSED-BDAKNGLRSA-N 1 3 233.381 0.133 20 0 BCADHO CC[NH+](CC)CCNC(=O)CN(C)C(C)C ZINC000063465858 357659637 /nfs/dbraw/zinc/65/96/37/357659637.db2.gz DPJZIIGDDSGADU-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NCCCC[NH3+] ZINC000232808815 357685604 /nfs/dbraw/zinc/68/56/04/357685604.db2.gz IWHVOEQSIHBJNW-SNVBAGLBSA-N 1 3 227.352 0.620 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CSC[C@@H]1C ZINC000397956232 357813064 /nfs/dbraw/zinc/81/30/64/357813064.db2.gz FGQFRJRXORRKJE-AXFHLTTASA-N 1 3 232.393 0.640 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CSC[C@@H]1C ZINC000397956232 357813066 /nfs/dbraw/zinc/81/30/66/357813066.db2.gz FGQFRJRXORRKJE-AXFHLTTASA-N 1 3 232.393 0.640 20 0 BCADHO C[C@@H]([NH3+])C1CCN(Cc2cncn2C)CC1 ZINC000085170827 134224546 /nfs/dbraw/zinc/22/45/46/134224546.db2.gz RVZJLEFBPVMPHM-SNVBAGLBSA-N 1 3 222.336 0.979 20 0 BCADHO N[C@@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408574 357912933 /nfs/dbraw/zinc/91/29/33/357912933.db2.gz HGYUNELYNRMODO-YUSALJHKSA-N 1 3 239.363 0.748 20 0 BCADHO CC[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000583754962 357934930 /nfs/dbraw/zinc/93/49/30/357934930.db2.gz YOOCZKZIYBIYAE-OLZOCXBDSA-N 1 3 247.342 0.808 20 0 BCADHO C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CCCNC1 ZINC000584463673 357979865 /nfs/dbraw/zinc/97/98/65/357979865.db2.gz DDDBTZSHAVLERN-WCFLWFBJSA-N 1 3 226.364 0.983 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000036871367 358055880 /nfs/dbraw/zinc/05/58/80/358055880.db2.gz FXKXMVMLOAVYOC-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000036871367 358055882 /nfs/dbraw/zinc/05/58/82/358055882.db2.gz FXKXMVMLOAVYOC-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[NH+]1CCC(NCCC(N)=O)CC1 ZINC000036747060 358047452 /nfs/dbraw/zinc/04/74/52/358047452.db2.gz NEVROXBXFGWITA-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC[NH2+]C(C)C ZINC000037618227 358084200 /nfs/dbraw/zinc/08/42/00/358084200.db2.gz OUAIMLQCIRXUIY-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000221635453 358101765 /nfs/dbraw/zinc/10/17/65/358101765.db2.gz DCSYDWVBKSIEFD-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CO[C@]1(CNCCC[NH+]2CCCC2)CCOC1 ZINC000160329955 358136779 /nfs/dbraw/zinc/13/67/79/358136779.db2.gz XKXAWJIVOQDTIB-ZDUSSCGKSA-N 1 3 242.363 0.867 20 0 BCADHO CO[C@]1(C[NH2+]CCCN2CCCC2)CCOC1 ZINC000160329955 358136782 /nfs/dbraw/zinc/13/67/82/358136782.db2.gz XKXAWJIVOQDTIB-ZDUSSCGKSA-N 1 3 242.363 0.867 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000086068382 358209501 /nfs/dbraw/zinc/20/95/01/358209501.db2.gz UVGQOIGIFNNDDD-GHMZBOCLSA-N 1 3 227.352 0.300 20 0 BCADHO CCN(CC)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000111612035 491125299 /nfs/dbraw/zinc/12/52/99/491125299.db2.gz KOPXWEWKAYTIAX-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H](CN1CCOCC1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000222928295 358216382 /nfs/dbraw/zinc/21/63/82/358216382.db2.gz VTAOTEQWIJLMCJ-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000222928295 358216386 /nfs/dbraw/zinc/21/63/86/358216386.db2.gz VTAOTEQWIJLMCJ-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N)C1 ZINC000040624440 358243979 /nfs/dbraw/zinc/24/39/79/358243979.db2.gz AGWAACZGTXWJKZ-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N)C1 ZINC000040624440 358243982 /nfs/dbraw/zinc/24/39/82/358243982.db2.gz AGWAACZGTXWJKZ-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCCCC[NH3+] ZINC000040832526 358246717 /nfs/dbraw/zinc/24/67/17/358246717.db2.gz YIGVKPHGLZYUJN-MRVPVSSYSA-N 1 3 201.314 0.215 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@H](N)CC)CC1 ZINC000040829711 358246865 /nfs/dbraw/zinc/24/68/65/358246865.db2.gz LSQZBNNFHJWQEG-LLVKDONJSA-N 1 3 227.352 0.714 20 0 BCADHO COC[C@@H](C)C[N@@H+]1CCC[C@@H](CN)C1 ZINC000225713288 358331593 /nfs/dbraw/zinc/33/15/93/358331593.db2.gz AMIQBOVPCKCZJV-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@@H](C)C[N@H+]1CCC[C@@H](CN)C1 ZINC000225713288 358331594 /nfs/dbraw/zinc/33/15/94/358331594.db2.gz AMIQBOVPCKCZJV-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@@H](C)CN1CCC[C@@H](C[NH3+])C1 ZINC000225713288 358331595 /nfs/dbraw/zinc/33/15/95/358331595.db2.gz AMIQBOVPCKCZJV-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO C[NH+](C)CCCCNC(=O)CNC1CC1 ZINC000041679616 358333865 /nfs/dbraw/zinc/33/38/65/358333865.db2.gz HJKCNNBTOGNISK-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CC[C@H](N)C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526766 358389369 /nfs/dbraw/zinc/38/93/69/358389369.db2.gz XJPWRIKNWLYRIA-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)C[NH3+] ZINC000045708987 358416225 /nfs/dbraw/zinc/41/62/25/358416225.db2.gz RDJBXCOCROBZNK-SNVBAGLBSA-N 1 3 215.341 0.381 20 0 BCADHO CN(CCN1CCCC1)C(=O)NCC(C)(C)[NH3+] ZINC000418418742 358432720 /nfs/dbraw/zinc/43/27/20/358432720.db2.gz YGHLGEKVQVTXMW-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@@H](C)C[NH3+] ZINC000044808141 358555125 /nfs/dbraw/zinc/55/51/25/358555125.db2.gz JKQBDXBGBPVFQB-NSHDSACASA-N 1 3 229.368 0.627 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000131759666 358692835 /nfs/dbraw/zinc/69/28/35/358692835.db2.gz MDDLJZNTUSYXTG-NWDGAFQWSA-N 1 3 233.315 0.116 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050458966 358730128 /nfs/dbraw/zinc/73/01/28/358730128.db2.gz CCIXCHSXMQPGRS-MNOVXSKESA-N 1 3 225.336 0.276 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000132926673 358739541 /nfs/dbraw/zinc/73/95/41/358739541.db2.gz OUZCBRTVRAXPCX-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132974768 358740814 /nfs/dbraw/zinc/74/08/14/358740814.db2.gz MNCNNPRXMOZKPN-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132974768 358740816 /nfs/dbraw/zinc/74/08/16/358740816.db2.gz MNCNNPRXMOZKPN-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO COCCOCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403787 358968641 /nfs/dbraw/zinc/96/86/41/358968641.db2.gz DDNLZTCYDMPVTG-MNOVXSKESA-N 1 3 216.325 0.509 20 0 BCADHO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000247076709 359192177 /nfs/dbraw/zinc/19/21/77/359192177.db2.gz HRDOBUXIRUCKIB-STQMWFEESA-N 1 3 244.379 0.656 20 0 BCADHO CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000247076709 359192180 /nfs/dbraw/zinc/19/21/80/359192180.db2.gz HRDOBUXIRUCKIB-STQMWFEESA-N 1 3 244.379 0.656 20 0 BCADHO CN(C(=O)C[NH2+]C1CC1)[C@H]1CCN(C2CC2)C1 ZINC000572282828 359349402 /nfs/dbraw/zinc/34/94/02/359349402.db2.gz QFTAHIPAYCVQBP-LBPRGKRZSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCCO2)[C@H]1C ZINC000423496779 192794841 /nfs/dbraw/zinc/79/48/41/192794841.db2.gz XQHPCCNEDXZULA-RHYQMDGZSA-N 1 3 212.337 0.999 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H]1C)N(C)C ZINC000423656171 192820490 /nfs/dbraw/zinc/82/04/90/192820490.db2.gz WLLPFVALYMUTSL-GMTAPVOTSA-N 1 3 227.352 0.521 20 0 BCADHO C[C@@H](O)[C@@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000580431571 359543038 /nfs/dbraw/zinc/54/30/38/359543038.db2.gz REEUTEJLPKBRKU-JHJVBQTASA-N 1 3 244.379 0.438 20 0 BCADHO C[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)O ZINC000580431570 359543134 /nfs/dbraw/zinc/54/31/34/359543134.db2.gz REEUTEJLPKBRKU-FRRDWIJNSA-N 1 3 244.379 0.438 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423991801 192853013 /nfs/dbraw/zinc/85/30/13/192853013.db2.gz FKEWSDSBEPFHEM-NWDGAFQWSA-N 1 3 241.379 0.772 20 0 BCADHO CS[C@@H](C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000122019178 359676016 /nfs/dbraw/zinc/67/60/16/359676016.db2.gz FDDUINQHYDCEPG-WDEREUQCSA-N 1 3 232.393 0.784 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000578444060 366569671 /nfs/dbraw/zinc/56/96/71/366569671.db2.gz KEBSYUXPBKEIFC-GMTAPVOTSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2)CC[NH2+]1 ZINC000578534954 366593369 /nfs/dbraw/zinc/59/33/69/366593369.db2.gz YGLIDZXBQLIJKX-HBNTYKKESA-N 1 3 225.336 0.385 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(N)CC1 ZINC000088129661 359937413 /nfs/dbraw/zinc/93/74/13/359937413.db2.gz JDSBOQXMMBFZGB-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(N)CC1 ZINC000088129661 359937417 /nfs/dbraw/zinc/93/74/17/359937417.db2.gz JDSBOQXMMBFZGB-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)C[NH+]1CCCCC1 ZINC000088130646 359938584 /nfs/dbraw/zinc/93/85/84/359938584.db2.gz FNMYFQBKPHILGW-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000578786725 366649296 /nfs/dbraw/zinc/64/92/96/366649296.db2.gz SJIQVTLCNKDROY-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000578786723 366649332 /nfs/dbraw/zinc/64/93/32/366649332.db2.gz SJIQVTLCNKDROY-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO CN1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612861990 360126982 /nfs/dbraw/zinc/12/69/82/360126982.db2.gz DRBRBKSPVNDUNU-LBPRGKRZSA-N 1 3 240.351 0.132 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875060 360135305 /nfs/dbraw/zinc/13/53/05/360135305.db2.gz BWHGQQDWAIHYRG-PWSUYJOCSA-N 1 3 240.351 0.132 20 0 BCADHO CCN(CC[NH3+])C(=O)NC1CCN(CC)CC1 ZINC000626922979 360511573 /nfs/dbraw/zinc/51/15/73/360511573.db2.gz JPFVTAJIBQERFQ-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO OC[C@H]1C[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000631197071 360709992 /nfs/dbraw/zinc/70/99/92/360709992.db2.gz FDZIICJRLYUAJT-WUHRBBMRSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000631197071 360709995 /nfs/dbraw/zinc/70/99/95/360709995.db2.gz FDZIICJRLYUAJT-WUHRBBMRSA-N 1 3 224.348 0.974 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000154731833 360848705 /nfs/dbraw/zinc/84/87/05/360848705.db2.gz KQJBUGZYMYKUAD-GUBZILKMSA-N 1 3 215.341 0.332 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)CN1C1CC1 ZINC000629408654 361059196 /nfs/dbraw/zinc/05/91/96/361059196.db2.gz YBUHJOWKOKIDAU-LSCVPOLPSA-N 1 3 223.364 0.952 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1CCCN1C ZINC000629519878 361120760 /nfs/dbraw/zinc/12/07/60/361120760.db2.gz RRVPKEYWBUVIMU-RNJOBUHISA-N 1 3 241.379 0.423 20 0 BCADHO CC[C@@H](NCCOCC[NH2+]C)c1cnn(C)c1 ZINC000629529224 361138460 /nfs/dbraw/zinc/13/84/60/361138460.db2.gz VZZRWBYFNFQHON-GFCCVEGCSA-N 1 3 240.351 0.697 20 0 BCADHO NC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000336634530 181324422 /nfs/dbraw/zinc/32/44/22/181324422.db2.gz ZUJVATBQIRAWTB-MNOVXSKESA-N 1 3 237.347 0.611 20 0 BCADHO [NH3+]C1(C(=O)N2CCCNCC2)CCCC1 ZINC000037479498 181324869 /nfs/dbraw/zinc/32/48/69/181324869.db2.gz PNZMOMNUHDRKTP-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000629532745 361154290 /nfs/dbraw/zinc/15/42/90/361154290.db2.gz PKFGCALQFHNEOC-SRVKXCTJSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CN ZINC000629532745 361154297 /nfs/dbraw/zinc/15/42/97/361154297.db2.gz PKFGCALQFHNEOC-SRVKXCTJSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1COCCN1C ZINC000629532658 361154563 /nfs/dbraw/zinc/15/45/63/361154563.db2.gz LFAFHZZEFINATA-JHJVBQTASA-N 1 3 241.379 0.295 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCCC1 ZINC000375940832 181324611 /nfs/dbraw/zinc/32/46/11/181324611.db2.gz IGHIOLGIAYTSJV-QWRGUYRKSA-N 1 3 237.347 0.468 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000629532922 361156124 /nfs/dbraw/zinc/15/61/24/361156124.db2.gz YIUYIPLDAGUKBQ-YNEHKIRRSA-N 1 3 241.379 0.567 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000629523888 361121330 /nfs/dbraw/zinc/12/13/30/361121330.db2.gz KZZUPXOPTCLTBO-GWOFURMSSA-N 1 3 225.336 0.500 20 0 BCADHO CC[C@@H](COC)NCC1([NH3+])CCOCC1 ZINC000629521989 361121763 /nfs/dbraw/zinc/12/17/63/361121763.db2.gz UTDFTIRYSHCQNH-JTQLQIEISA-N 1 3 216.325 0.509 20 0 BCADHO NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000629523394 361124428 /nfs/dbraw/zinc/12/44/28/361124428.db2.gz DUEFXVLWASTMMU-XKNYDFJKSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000629523394 361124433 /nfs/dbraw/zinc/12/44/33/361124433.db2.gz DUEFXVLWASTMMU-XKNYDFJKSA-N 1 3 211.309 0.110 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CN(C)C[C@H]1C ZINC000629525734 361127118 /nfs/dbraw/zinc/12/71/18/361127118.db2.gz AIQMHOOTUJQKIP-KXNHARMFSA-N 1 3 211.353 0.667 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474900 361245958 /nfs/dbraw/zinc/24/59/58/361245958.db2.gz CUSLSVRMIZENQS-XQQFMLRXSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474900 361245962 /nfs/dbraw/zinc/24/59/62/361245962.db2.gz CUSLSVRMIZENQS-XQQFMLRXSA-N 1 3 224.348 0.927 20 0 BCADHO CNC(=O)CCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000579070089 366702881 /nfs/dbraw/zinc/70/28/81/366702881.db2.gz TZVPTLQFQKZBKU-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO C[NH+](C)[C@H](CNCCC(N)=O)C1CCCCC1 ZINC000579111229 366713196 /nfs/dbraw/zinc/71/31/96/366713196.db2.gz YAZZGUCFWFTZSQ-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)OC1CCN(CCOCC[NH3+])CC1 ZINC000579110335 366713769 /nfs/dbraw/zinc/71/37/69/366713769.db2.gz HGDQJWUJMLWFOG-UHFFFAOYSA-N 1 3 230.352 0.851 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000428419825 201015270 /nfs/dbraw/zinc/01/52/70/201015270.db2.gz GEJXBEXOVDJVRG-JTQLQIEISA-N 1 3 213.325 0.147 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227117 366737949 /nfs/dbraw/zinc/73/79/49/366737949.db2.gz MTZCMGMUJCVCRZ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](NCC1(CO)CCCC1)C1C[NH2+]C1 ZINC000622044083 370675550 /nfs/dbraw/zinc/67/55/50/370675550.db2.gz UKPURZISGKZGSG-SNVBAGLBSA-N 1 3 212.337 0.737 20 0 BCADHO C[C@@H]([NH2+]CC1(CO)CCCC1)C1CNC1 ZINC000622044083 370675553 /nfs/dbraw/zinc/67/55/53/370675553.db2.gz UKPURZISGKZGSG-SNVBAGLBSA-N 1 3 212.337 0.737 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H](C)Cc1cnccn1 ZINC000622044493 370676974 /nfs/dbraw/zinc/67/69/74/370676974.db2.gz IANBVASTGHWFPG-UWVGGRQHSA-N 1 3 208.309 0.735 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428518749 201026232 /nfs/dbraw/zinc/02/62/32/201026232.db2.gz SINLHUBJVCZDLZ-LLVKDONJSA-N 1 3 227.352 0.526 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000250940023 181328731 /nfs/dbraw/zinc/32/87/31/181328731.db2.gz ZECYPNUATXVLCZ-WDEREUQCSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000250940023 181328732 /nfs/dbraw/zinc/32/87/32/181328732.db2.gz ZECYPNUATXVLCZ-WDEREUQCSA-N 1 3 237.347 0.611 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428954365 201051428 /nfs/dbraw/zinc/05/14/28/201051428.db2.gz IIEKNKOSGXTBCU-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000429141562 201072373 /nfs/dbraw/zinc/07/23/73/201072373.db2.gz KOILLEFETFHLCS-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](NC(=O)[C@H]1CCCCN1)[C@@H]1CCC[NH2+]C1 ZINC000428969089 201055693 /nfs/dbraw/zinc/05/56/93/201055693.db2.gz QQONYHHDGJDOCX-IJLUTSLNSA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@@H](C(=O)NCC[NH2+]C)N(CC)CC ZINC000429086675 201066094 /nfs/dbraw/zinc/06/60/94/201066094.db2.gz HODFHCWIDNKMGE-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429101019 201066899 /nfs/dbraw/zinc/06/68/99/201066899.db2.gz VWPIFNYVKCPJIQ-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000429189010 201079000 /nfs/dbraw/zinc/07/90/00/201079000.db2.gz ATRJMORIIAZFKA-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+]C ZINC000429233204 201080239 /nfs/dbraw/zinc/08/02/39/201080239.db2.gz CUBIDZXGXQSUNR-JTQLQIEISA-N 1 3 215.341 0.300 20 0 BCADHO CCCN(C)CC(=O)N1CCC([NH2+]C)CC1 ZINC000429400925 201105567 /nfs/dbraw/zinc/10/55/67/201105567.db2.gz ASCNDXCVJTZPLD-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000429393398 201106232 /nfs/dbraw/zinc/10/62/32/201106232.db2.gz KFESKPJJYQUWNH-JFGNBEQYSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000579332965 366760889 /nfs/dbraw/zinc/76/08/89/366760889.db2.gz IQYNLMYBZORWMS-GHMZBOCLSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NCCOCCC[NH3+])c1ccnn1C ZINC000629538404 361403503 /nfs/dbraw/zinc/40/35/03/361403503.db2.gz MPPCPECUBZLXLI-JTQLQIEISA-N 1 3 226.324 0.436 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000429554772 201114969 /nfs/dbraw/zinc/11/49/69/201114969.db2.gz CGMVEMKBCXYAJZ-JFGNBEQYSA-N 1 3 239.363 0.713 20 0 BCADHO CCO[C@@H](CN1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000629540258 361413934 /nfs/dbraw/zinc/41/39/34/361413934.db2.gz RMUJTUQODGWIBU-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@@H](C[N@@H+]1CCCO[C@H](CN)C1)C1CC1 ZINC000629540258 361413937 /nfs/dbraw/zinc/41/39/37/361413937.db2.gz RMUJTUQODGWIBU-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@@H](C[N@H+]1CCCO[C@H](CN)C1)C1CC1 ZINC000629540258 361413942 /nfs/dbraw/zinc/41/39/42/361413942.db2.gz RMUJTUQODGWIBU-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@@H](CN1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000629540261 361414396 /nfs/dbraw/zinc/41/43/96/361414396.db2.gz RMUJTUQODGWIBU-STQMWFEESA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@@H](C[N@@H+]1CCCO[C@@H](CN)C1)C1CC1 ZINC000629540261 361414402 /nfs/dbraw/zinc/41/44/02/361414402.db2.gz RMUJTUQODGWIBU-STQMWFEESA-N 1 3 242.363 0.851 20 0 BCADHO CCO[C@@H](C[N@H+]1CCCO[C@@H](CN)C1)C1CC1 ZINC000629540261 361414407 /nfs/dbraw/zinc/41/44/07/361414407.db2.gz RMUJTUQODGWIBU-STQMWFEESA-N 1 3 242.363 0.851 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429556878 201113725 /nfs/dbraw/zinc/11/37/25/201113725.db2.gz ZEWMPQSUWCNWRK-STQMWFEESA-N 1 3 244.379 0.800 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429556878 201113729 /nfs/dbraw/zinc/11/37/29/201113729.db2.gz ZEWMPQSUWCNWRK-STQMWFEESA-N 1 3 244.379 0.800 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544306 361423676 /nfs/dbraw/zinc/42/36/76/361423676.db2.gz HNRDWOKEFXZMLG-NOOOWODRSA-N 1 3 227.352 0.093 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000579475458 366824339 /nfs/dbraw/zinc/82/43/39/366824339.db2.gz VTYPWSVMABGRHO-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000579475458 366824344 /nfs/dbraw/zinc/82/43/44/366824344.db2.gz VTYPWSVMABGRHO-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1CC[NH2+]C1 ZINC000629554682 361435907 /nfs/dbraw/zinc/43/59/07/361435907.db2.gz NDLIVJIMNJPYGU-ZYHUDNBSSA-N 1 3 234.347 0.861 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542117 361418192 /nfs/dbraw/zinc/41/81/92/361418192.db2.gz YPCNFOHLKGZUPQ-USZNOCQGSA-N 1 3 211.353 0.667 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629556126 361448519 /nfs/dbraw/zinc/44/85/19/361448519.db2.gz KMLIQQBINDZTAG-AGIUHOORSA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556126 361448522 /nfs/dbraw/zinc/44/85/22/361448522.db2.gz KMLIQQBINDZTAG-AGIUHOORSA-N 1 3 241.379 0.160 20 0 BCADHO C[NH2+]CCOCCN(C)[C@@H](C)COC ZINC000629571943 361463831 /nfs/dbraw/zinc/46/38/31/361463831.db2.gz UOANQBZNSWVNEX-JTQLQIEISA-N 1 3 204.314 0.189 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000433172918 201164255 /nfs/dbraw/zinc/16/42/55/201164255.db2.gz DTCHHFAMMSEIJK-DCAQKATOSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)(O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592393 361485545 /nfs/dbraw/zinc/48/55/45/361485545.db2.gz BPGMMRQRQDPYKX-TXEJJXNPSA-N 1 3 212.337 0.689 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000629612449 361498899 /nfs/dbraw/zinc/49/88/99/361498899.db2.gz CUTIGWUFOQZFSJ-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)N(C)C ZINC000629612463 361498963 /nfs/dbraw/zinc/49/89/63/361498963.db2.gz DCIKYSOAYMFIJY-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000629612716 361499442 /nfs/dbraw/zinc/49/94/42/361499442.db2.gz GRZKPYDEDSMYBG-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CC)N(C)C ZINC000629611721 361501580 /nfs/dbraw/zinc/50/15/80/361501580.db2.gz BZDBHOOKCYHYNU-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C(=O)N1CCC([NH2+]C)CC1)N(C)C ZINC000629612998 361501716 /nfs/dbraw/zinc/50/17/16/361501716.db2.gz GPVXPMYSTIYZRM-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC000629612257 361502770 /nfs/dbraw/zinc/50/27/70/361502770.db2.gz ZQHLAJNICBPVLU-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000629614678 361503651 /nfs/dbraw/zinc/50/36/51/361503651.db2.gz MGLCJMQTEWBFTO-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000629615622 361504888 /nfs/dbraw/zinc/50/48/88/361504888.db2.gz WODQBZVDCTZIOZ-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N(C)C ZINC000629616167 361506623 /nfs/dbraw/zinc/50/66/23/361506623.db2.gz YIQNHJXKRANROW-GUBZILKMSA-N 1 3 213.325 0.275 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N(C)C ZINC000629613546 361507882 /nfs/dbraw/zinc/50/78/82/361507882.db2.gz CEEYAJIODVCRGV-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N(C)C ZINC000629613544 361507955 /nfs/dbraw/zinc/50/79/55/361507955.db2.gz CEEYAJIODVCRGV-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)C ZINC000629614419 361509402 /nfs/dbraw/zinc/50/94/02/361509402.db2.gz JJRKGZHMQZBJDG-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)N(C)C ZINC000629614418 361509462 /nfs/dbraw/zinc/50/94/62/361509462.db2.gz JJRKGZHMQZBJDG-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000434703784 201236666 /nfs/dbraw/zinc/23/66/66/201236666.db2.gz BENJZGIBOCBDJY-DCAQKATOSA-N 1 3 227.352 0.761 20 0 BCADHO C[NH2+]CCCN1CC[C@H](CN2CCOCC2)C1 ZINC000435878743 201292057 /nfs/dbraw/zinc/29/20/57/201292057.db2.gz FROFKINDPQJYTN-ZDUSSCGKSA-N 1 3 241.379 0.250 20 0 BCADHO C[C@H]1NCC[N@H+](CCCN2CCOCC2)[C@@H]1C ZINC000436067708 201307867 /nfs/dbraw/zinc/30/78/67/201307867.db2.gz URUGZSTUVVICNG-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@H]1NCC[N@@H+](CCCN2CCOCC2)[C@@H]1C ZINC000436067708 201307869 /nfs/dbraw/zinc/30/78/69/201307869.db2.gz URUGZSTUVVICNG-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO CC[C@@H]1CN(CCC[NH2+]C)CCN1C[C@@H](C)O ZINC000435872905 201292640 /nfs/dbraw/zinc/29/26/40/201292640.db2.gz SIWSFGHGPQPUMQ-CHWSQXEVSA-N 1 3 243.395 0.373 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000627244724 363848450 /nfs/dbraw/zinc/84/84/50/363848450.db2.gz GTNOZCAPTZJRTJ-CHWFTXMASA-N 1 3 240.351 0.129 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812619 363897795 /nfs/dbraw/zinc/89/77/95/363897795.db2.gz MIRHUBURNMQKPO-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812619 363897798 /nfs/dbraw/zinc/89/77/98/363897798.db2.gz MIRHUBURNMQKPO-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000262623482 181353678 /nfs/dbraw/zinc/35/36/78/181353678.db2.gz AHBHHGQPTAMNKK-UHFFFAOYSA-N 1 3 247.342 0.857 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000068195875 370753192 /nfs/dbraw/zinc/75/31/92/370753192.db2.gz FTQBUJUZZFTTIO-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000068195875 370753194 /nfs/dbraw/zinc/75/31/94/370753194.db2.gz FTQBUJUZZFTTIO-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CC[C@H]([NH2+]C2CCN(C)CC2)CN1 ZINC000398975523 364401502 /nfs/dbraw/zinc/40/15/02/364401502.db2.gz YRAYLTOECQEJFM-PWSUYJOCSA-N 1 3 211.353 0.811 20 0 BCADHO [NH3+]CC1CCN(CC(=O)N2CCCC2)CC1 ZINC000019843236 181365743 /nfs/dbraw/zinc/36/57/43/181365743.db2.gz LWNNIYWIPGRKSV-UHFFFAOYSA-N 1 3 225.336 0.280 20 0 BCADHO [NH3+]CCC(=O)Nc1cccc2c1CNCC2 ZINC000375940390 181369439 /nfs/dbraw/zinc/36/94/39/181369439.db2.gz HZDTYXCEXRDZOX-UHFFFAOYSA-N 1 3 219.288 0.620 20 0 BCADHO C[N@H+](C[C@@H](O)CNC1CC(C)(F)C1)C1CC1 ZINC000573439468 364826697 /nfs/dbraw/zinc/82/66/97/364826697.db2.gz SMOPVBPZPNMCFN-ZYXZCXLHSA-N 1 3 230.327 0.922 20 0 BCADHO C[N@@H+](C[C@@H](O)CNC1CC(C)(F)C1)C1CC1 ZINC000573439468 364826701 /nfs/dbraw/zinc/82/67/01/364826701.db2.gz SMOPVBPZPNMCFN-ZYXZCXLHSA-N 1 3 230.327 0.922 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000573487999 364845769 /nfs/dbraw/zinc/84/57/69/364845769.db2.gz MCPMLMIFBOKFJX-MRTMQBJTSA-N 1 3 201.314 0.356 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000573741758 364908129 /nfs/dbraw/zinc/90/81/29/364908129.db2.gz QPOPGYFGURDIKD-GXSJLCMTSA-N 1 3 233.315 0.511 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH3+] ZINC000573682122 364891278 /nfs/dbraw/zinc/89/12/78/364891278.db2.gz PMEVAPPGYJINQG-SNVBAGLBSA-N 1 3 215.341 0.570 20 0 BCADHO CN(C(=O)C1CCN(C)CC1)[C@H](C[NH3+])C1CC1 ZINC000573682794 364892774 /nfs/dbraw/zinc/89/27/74/364892774.db2.gz ZDTIMLNPHMYSHC-GFCCVEGCSA-N 1 3 239.363 0.524 20 0 BCADHO NC[C@H](C(=O)NCCCC[NH3+])c1ccccc1 ZINC000061612676 181376133 /nfs/dbraw/zinc/37/61/33/181376133.db2.gz AZRVXRUJTXJJBL-LBPRGKRZSA-N 1 3 235.331 0.584 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CCN1C ZINC000573962616 364954656 /nfs/dbraw/zinc/95/46/56/364954656.db2.gz LYHRFDBTUFYFGP-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CC2)CCN1C ZINC000573962614 364954902 /nfs/dbraw/zinc/95/49/02/364954902.db2.gz LYHRFDBTUFYFGP-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000574210702 365001297 /nfs/dbraw/zinc/00/12/97/365001297.db2.gz XCFMMINSNNVBNR-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO [NH3+]CCCN1CCN(C2CCCC2)CC1 ZINC000019688178 181381203 /nfs/dbraw/zinc/38/12/03/181381203.db2.gz SDPOYNIKKBMRTE-UHFFFAOYSA-N 1 3 211.353 0.895 20 0 BCADHO Cn1ccc(CN2CCC3(CC[NH2+]C3)CC2)n1 ZINC000574400165 365053525 /nfs/dbraw/zinc/05/35/25/365053525.db2.gz LPWCGKGNQCJATB-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO NC[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000574401410 365053677 /nfs/dbraw/zinc/05/36/77/365053677.db2.gz KUQAPNCPYHIIJI-FRRDWIJNSA-N 1 3 245.326 0.418 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](C)NC1CC1 ZINC000574262216 365021467 /nfs/dbraw/zinc/02/14/67/365021467.db2.gz NVUMCJJYGDDQMN-SNVBAGLBSA-N 1 3 227.352 0.631 20 0 BCADHO CCN(CCNC(=O)N(C)CCC[NH3+])C1CC1 ZINC000574261967 365021780 /nfs/dbraw/zinc/02/17/80/365021780.db2.gz QXNZZPREMABASD-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000574281927 365027986 /nfs/dbraw/zinc/02/79/86/365027986.db2.gz YZYWPXZIPVMLGK-WYUUTHIRSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H](C)N1 ZINC000574319236 365035934 /nfs/dbraw/zinc/03/59/34/365035934.db2.gz PWDVMNDEUGLTJW-GJMOJQLCSA-N 1 3 235.278 0.178 20 0 BCADHO N[C@H](CC(F)F)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574573364 365087800 /nfs/dbraw/zinc/08/78/00/365087800.db2.gz KGXSSKVVWLCBJY-RKDXNWHRSA-N 1 3 247.289 0.322 20 0 BCADHO [NH3+]CCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000237982034 181395535 /nfs/dbraw/zinc/39/55/35/181395535.db2.gz IJEYCLPQVVHEKS-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO C[C@@H](N)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814154 365150195 /nfs/dbraw/zinc/15/01/95/365150195.db2.gz CBJPBOVODMKQRT-GHMZBOCLSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H](N)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000574814154 365150201 /nfs/dbraw/zinc/15/02/01/365150201.db2.gz CBJPBOVODMKQRT-GHMZBOCLSA-N 1 3 222.336 0.632 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000575122264 365210819 /nfs/dbraw/zinc/21/08/19/365210819.db2.gz FBNOQJRCJYOQOT-GARJFASQSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000575124871 365212558 /nfs/dbraw/zinc/21/25/58/365212558.db2.gz KVVDKKZURRYZIL-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO NC1(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000575125351 365212903 /nfs/dbraw/zinc/21/29/03/365212903.db2.gz AYYQBKGOIDWMME-UHFFFAOYSA-N 1 3 219.288 0.253 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)[C@H](C)NC ZINC000575137363 365218272 /nfs/dbraw/zinc/21/82/72/365218272.db2.gz WHOOVKVYOBFFMM-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000575198651 365239958 /nfs/dbraw/zinc/23/99/58/365239958.db2.gz SAVGMAOLCZUZBI-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000575198651 365239960 /nfs/dbraw/zinc/23/99/60/365239960.db2.gz SAVGMAOLCZUZBI-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN2CCC[C@H]2C1 ZINC000444168555 193039438 /nfs/dbraw/zinc/03/94/38/193039438.db2.gz PCSQAVOPNWGIFV-SGMGOOAPSA-N 1 3 249.358 0.293 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444175819 193040021 /nfs/dbraw/zinc/04/00/21/193040021.db2.gz MFUBIUSLUBFCLG-MPKXVKKWSA-N 1 3 249.358 0.339 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444187334 193040803 /nfs/dbraw/zinc/04/08/03/193040803.db2.gz SWRJSLLKFSMMLL-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CC[NH2+]2)C1 ZINC000444187331 193041161 /nfs/dbraw/zinc/04/11/61/193041161.db2.gz SWRJSLLKFSMMLL-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCC[C@H](C)C1 ZINC000444191667 193041466 /nfs/dbraw/zinc/04/14/66/193041466.db2.gz XVFYDXGVKXAUFX-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCCN1 ZINC000444259876 193042060 /nfs/dbraw/zinc/04/20/60/193042060.db2.gz PCEXZLBRLMWBKJ-DGCLKSJQSA-N 1 3 239.363 0.777 20 0 BCADHO CCCN(C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444259518 193042901 /nfs/dbraw/zinc/04/29/01/193042901.db2.gz NFWKCXOESNYHKR-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000444267761 193043103 /nfs/dbraw/zinc/04/31/03/193043103.db2.gz IAHLLOYLHIHPAO-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000575869624 365396456 /nfs/dbraw/zinc/39/64/56/365396456.db2.gz DTBUWLWSAXOFJN-KKZNHRDASA-N 1 3 215.341 0.746 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000579590400 366894386 /nfs/dbraw/zinc/89/43/86/366894386.db2.gz DYMBZSJMTSKINK-ATZCPNFKSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000579590697 366896016 /nfs/dbraw/zinc/89/60/16/366896016.db2.gz AIKHOXFJRYSSQK-SNVBAGLBSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576150165 365502057 /nfs/dbraw/zinc/50/20/57/365502057.db2.gz HDHBWGGKPWDLJI-RYUDHWBXSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](CC(N)=O)NC1CC[NH+](CC2CC2)CC1 ZINC000579766457 367004074 /nfs/dbraw/zinc/00/40/74/367004074.db2.gz OLYLLKFZMJDUTQ-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+]CCC(=O)Nc1cccc2c1CCNC2 ZINC000579834853 367038438 /nfs/dbraw/zinc/03/84/38/367038438.db2.gz XOAQVCDGDPYYAZ-UHFFFAOYSA-N 1 3 219.288 0.620 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000579853768 367052719 /nfs/dbraw/zinc/05/27/19/367052719.db2.gz AKSXQTHWIKMLKA-VXGBXAGGSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000580832912 367181037 /nfs/dbraw/zinc/18/10/37/367181037.db2.gz KKNBMDCSHCTYOG-JBLDHEPKSA-N 1 3 235.331 0.581 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000580832913 367181588 /nfs/dbraw/zinc/18/15/88/367181588.db2.gz KKNBMDCSHCTYOG-NHCYSSNCSA-N 1 3 235.331 0.581 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[C@@H]1[NH3+] ZINC000580891976 367198951 /nfs/dbraw/zinc/19/89/51/367198951.db2.gz VDSYBHCJLMUEEQ-MIMYLULJSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941856 367211422 /nfs/dbraw/zinc/21/14/22/367211422.db2.gz DNHRBKRKFALMLI-TUAOUCFPSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580956780 367216415 /nfs/dbraw/zinc/21/64/15/367216415.db2.gz FYFKJKVFKMCOMZ-LOWVWBTDSA-N 1 3 237.347 0.196 20 0 BCADHO NC1(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)CC1 ZINC000581126574 367269901 /nfs/dbraw/zinc/26/99/01/367269901.db2.gz SYVLGUODJZJUBI-SNVBAGLBSA-N 1 3 231.299 0.394 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000581019571 367238857 /nfs/dbraw/zinc/23/88/57/367238857.db2.gz JGROOQMXOUYWPG-JHJVBQTASA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000581019571 367238861 /nfs/dbraw/zinc/23/88/61/367238861.db2.gz JGROOQMXOUYWPG-JHJVBQTASA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccncc1 ZINC000581187552 367286445 /nfs/dbraw/zinc/28/64/45/367286445.db2.gz CHHCULGWQUUZHK-PWSUYJOCSA-N 1 3 248.330 0.030 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)CNC2CC2)CC1 ZINC000581190090 367288951 /nfs/dbraw/zinc/28/89/51/367288951.db2.gz QBYRTWYNTJRTAG-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000381354464 367386570 /nfs/dbraw/zinc/38/65/70/367386570.db2.gz CLGBUYFRONGRME-IUCAKERBSA-N 1 3 213.325 0.310 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000581368223 367399632 /nfs/dbraw/zinc/39/96/32/367399632.db2.gz UGTLVQSAZHZQTQ-ZDUSSCGKSA-N 1 3 249.358 0.624 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000581437604 367471182 /nfs/dbraw/zinc/47/11/82/367471182.db2.gz QSGIBFVJUHATSM-AVGNSLFASA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C ZINC000581437604 367471188 /nfs/dbraw/zinc/47/11/88/367471188.db2.gz QSGIBFVJUHATSM-AVGNSLFASA-N 1 3 243.395 0.323 20 0 BCADHO CC[C@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000381644775 367443033 /nfs/dbraw/zinc/44/30/33/367443033.db2.gz BHIVWSACXGQPRL-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000381712136 367450368 /nfs/dbraw/zinc/45/03/68/367450368.db2.gz KLHWWMNGHHVGFE-GXSJLCMTSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000382925346 367568394 /nfs/dbraw/zinc/56/83/94/367568394.db2.gz DFWFGVXOGRFYDN-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000382925346 367568400 /nfs/dbraw/zinc/56/84/00/367568400.db2.gz DFWFGVXOGRFYDN-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)NC2CC2)C1 ZINC000382965263 367574752 /nfs/dbraw/zinc/57/47/52/367574752.db2.gz PUVXNAKOQUIRLR-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)NC2CC2)C1 ZINC000382965263 367574756 /nfs/dbraw/zinc/57/47/56/367574756.db2.gz PUVXNAKOQUIRLR-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NC1CCN(C)CC1 ZINC000383161400 367602829 /nfs/dbraw/zinc/60/28/29/367602829.db2.gz NVFZXCFZPOXGBZ-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO C[N@H+](C[C@H](O)CNC[C@]1(C)CCCO1)C1CC1 ZINC000383487961 367627650 /nfs/dbraw/zinc/62/76/50/367627650.db2.gz AHLJBIZXAAUJLM-OLZOCXBDSA-N 1 3 242.363 0.600 20 0 BCADHO C[N@@H+](C[C@H](O)CNC[C@]1(C)CCCO1)C1CC1 ZINC000383487961 367627653 /nfs/dbraw/zinc/62/76/53/367627653.db2.gz AHLJBIZXAAUJLM-OLZOCXBDSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC[NH+](C)C ZINC000383316380 367612588 /nfs/dbraw/zinc/61/25/88/367612588.db2.gz IVXNDFWVXVXKPB-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000383370046 367618000 /nfs/dbraw/zinc/61/80/00/367618000.db2.gz ODJZAPGFKRYGJO-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO COC1(CNC[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000383733882 367650198 /nfs/dbraw/zinc/65/01/98/367650198.db2.gz HKNXNRVWHRQVDT-GFCCVEGCSA-N 1 3 242.363 0.600 20 0 BCADHO COC1(CNC[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000383733882 367650203 /nfs/dbraw/zinc/65/02/03/367650203.db2.gz HKNXNRVWHRQVDT-GFCCVEGCSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000581656779 367657229 /nfs/dbraw/zinc/65/72/29/367657229.db2.gz QSGNCYUWMOQMGQ-GHMZBOCLSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000581666175 367664937 /nfs/dbraw/zinc/66/49/37/367664937.db2.gz FKKWETJSZRCUFJ-VIFPVBQESA-N 1 3 233.315 0.614 20 0 BCADHO CN(C)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384813868 367736686 /nfs/dbraw/zinc/73/66/86/367736686.db2.gz IXWCYZJTRFQKJQ-OLZOCXBDSA-N 1 3 247.342 0.767 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384834839 367740061 /nfs/dbraw/zinc/74/00/61/367740061.db2.gz NQIQABDQNKWFCT-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC[NH2+]1 ZINC000384840669 367741185 /nfs/dbraw/zinc/74/11/85/367741185.db2.gz TVOJYGVCQRFUSK-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)[C@@H](C)O1 ZINC000384961215 367765666 /nfs/dbraw/zinc/76/56/66/367765666.db2.gz SEGPEPQCIZIWOF-UTUOFQBUSA-N 1 3 230.352 0.720 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000566208158 326013917 /nfs/dbraw/zinc/01/39/17/326013917.db2.gz JACJKDWJDIIJDG-RRKCRQDMSA-N 1 3 239.241 0.072 20 0 BCADHO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@@H]1CCCCN1 ZINC000386022010 367898319 /nfs/dbraw/zinc/89/83/19/367898319.db2.gz OVSFSHHCVITDHH-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386556136 367990886 /nfs/dbraw/zinc/99/08/86/367990886.db2.gz HYZRRFUERMGSIK-BBBLOLIVSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000386556141 367990961 /nfs/dbraw/zinc/99/09/61/367990961.db2.gz HYZRRFUERMGSIK-UTLUCORTSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]([NH2+]CCOCCO)[C@@H]1CCCCN1 ZINC000386607193 368000193 /nfs/dbraw/zinc/00/01/93/368000193.db2.gz VXWPGOXPQAUQLZ-MNOVXSKESA-N 1 3 216.325 0.116 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H](CO)C1CCCC1 ZINC000386377104 367958898 /nfs/dbraw/zinc/95/88/98/367958898.db2.gz QYZQPKFJWFDZSC-CHWSQXEVSA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CO)C1CCCC1 ZINC000386377104 367958900 /nfs/dbraw/zinc/95/89/00/367958900.db2.gz QYZQPKFJWFDZSC-CHWSQXEVSA-N 1 3 244.379 0.440 20 0 BCADHO CC(C)[C@H](C(=O)N1CC(C[NH+](C)C)C1)N(C)C ZINC000615504787 368080403 /nfs/dbraw/zinc/08/04/03/368080403.db2.gz XEXFQGOJMNWKPR-GFCCVEGCSA-N 1 3 241.379 0.593 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC(C[NH+](C)C)C1)N(C)C ZINC000615504788 368080559 /nfs/dbraw/zinc/08/05/59/368080559.db2.gz XEXFQGOJMNWKPR-LBPRGKRZSA-N 1 3 241.379 0.593 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615510879 368084616 /nfs/dbraw/zinc/08/46/16/368084616.db2.gz YWSCFMWBRYOLNU-NSHDSACASA-N 1 3 225.336 0.101 20 0 BCADHO C[N@H+](C[C@H](O)CNCCn1cccc1)C1CC1 ZINC000581998148 368102013 /nfs/dbraw/zinc/10/20/13/368102013.db2.gz XLVALHWPGBQKAW-CYBMUJFWSA-N 1 3 237.347 0.533 20 0 BCADHO C[N@@H+](C[C@H](O)CNCCn1cccc1)C1CC1 ZINC000581998148 368102017 /nfs/dbraw/zinc/10/20/17/368102017.db2.gz XLVALHWPGBQKAW-CYBMUJFWSA-N 1 3 237.347 0.533 20 0 BCADHO C[C@@H](O)[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000566910880 326092840 /nfs/dbraw/zinc/09/28/40/326092840.db2.gz KTQQUADXXVAKBF-NWDGAFQWSA-N 1 3 243.395 0.371 20 0 BCADHO CCN(CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000061757486 368568884 /nfs/dbraw/zinc/56/88/84/368568884.db2.gz ZMHYTWCUXGROPX-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000082261718 368661785 /nfs/dbraw/zinc/66/17/85/368661785.db2.gz YQHZNLXTTRHFLD-CYBMUJFWSA-N 1 3 247.342 0.425 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000154395172 326142422 /nfs/dbraw/zinc/14/24/22/326142422.db2.gz MHTHWBFCLHVDAV-MNOVXSKESA-N 1 3 227.352 0.620 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)CC[NH3+] ZINC000083914411 368839994 /nfs/dbraw/zinc/83/99/94/368839994.db2.gz OXOWJGGZECEXBL-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000087619778 368895741 /nfs/dbraw/zinc/89/57/41/368895741.db2.gz ZBIXSFIHNFYITI-ZDUSSCGKSA-N 1 3 247.342 0.551 20 0 BCADHO N[C@@H]1CCCCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631835437 369043643 /nfs/dbraw/zinc/04/36/43/369043643.db2.gz UUSKAIQIAMKSBK-VXGBXAGGSA-N 1 3 249.362 0.969 20 0 BCADHO N[C@@H]1CCCCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631835437 369043646 /nfs/dbraw/zinc/04/36/46/369043646.db2.gz UUSKAIQIAMKSBK-VXGBXAGGSA-N 1 3 249.362 0.969 20 0 BCADHO C[C@@H]1CN(CCN2CCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000631837275 369095132 /nfs/dbraw/zinc/09/51/32/369095132.db2.gz QMNHXCISEQRIOF-JHJVBQTASA-N 1 3 241.379 0.234 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000567383894 326180772 /nfs/dbraw/zinc/18/07/72/326180772.db2.gz CZEBFVFKXACOFD-GXFFZTMASA-N 1 3 239.363 0.633 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000567486315 326202563 /nfs/dbraw/zinc/20/25/63/326202563.db2.gz FQIFGDRNNCIIIW-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)N(C)C ZINC000156204593 326221940 /nfs/dbraw/zinc/22/19/40/326221940.db2.gz IQGBQAQNNDPRBW-VXGBXAGGSA-N 1 3 241.379 0.783 20 0 BCADHO C[NH2+]CCCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404906550 369438546 /nfs/dbraw/zinc/43/85/46/369438546.db2.gz YZJUTINNPYXYQY-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404952065 369440401 /nfs/dbraw/zinc/44/04/01/369440401.db2.gz JBQXDTWQWUGFMH-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H](N)C[C@H]1C ZINC000631862016 369474988 /nfs/dbraw/zinc/47/49/88/369474988.db2.gz KGSUWZQXJCPKAQ-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H](N)C[C@H]1C ZINC000631862016 369474992 /nfs/dbraw/zinc/47/49/92/369474992.db2.gz KGSUWZQXJCPKAQ-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO COC(=O)C[C@@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000259913055 370955131 /nfs/dbraw/zinc/95/51/31/370955131.db2.gz GODONDJBEMPMLO-QWRGUYRKSA-N 1 3 226.320 0.623 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000619900445 369631741 /nfs/dbraw/zinc/63/17/41/369631741.db2.gz VLNPZGXKIYKILX-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000619900445 369631743 /nfs/dbraw/zinc/63/17/43/369631743.db2.gz VLNPZGXKIYKILX-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310364553 370340237 /nfs/dbraw/zinc/34/02/37/370340237.db2.gz LNUKMLTWUXMPBR-DTWKUNHWSA-N 1 3 249.305 0.427 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310364553 370340242 /nfs/dbraw/zinc/34/02/42/370340242.db2.gz LNUKMLTWUXMPBR-DTWKUNHWSA-N 1 3 249.305 0.427 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621683515 370432923 /nfs/dbraw/zinc/43/29/23/370432923.db2.gz XDZMARXFFRHJQB-JOYOIKCWSA-N 1 3 223.320 0.208 20 0 BCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000621683863 370433932 /nfs/dbraw/zinc/43/39/32/370433932.db2.gz CUGGFKHRARXNLR-GVXVVHGQSA-N 1 3 237.347 0.468 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684505 370434676 /nfs/dbraw/zinc/43/46/76/370434676.db2.gz NIMLWGATBSDWNQ-VAOFZXAKSA-N 1 3 247.289 0.309 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684434 370434891 /nfs/dbraw/zinc/43/48/91/370434891.db2.gz MISBGPLCMRCVEX-MDZLAQPJSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684731 370434939 /nfs/dbraw/zinc/43/49/39/370434939.db2.gz RKMLWHDJRIDUFF-YWVKMMECSA-N 1 3 211.309 0.064 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621784521 370536594 /nfs/dbraw/zinc/53/65/94/370536594.db2.gz QCKVXAZXQOHHMJ-WCQYABFASA-N 1 3 239.363 0.668 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621784521 370536596 /nfs/dbraw/zinc/53/65/96/370536596.db2.gz QCKVXAZXQOHHMJ-WCQYABFASA-N 1 3 239.363 0.668 20 0 BCADHO [NH3+][C@]12CCC[C@@H]1CN(C[C@@H]1CCOC1)C2 ZINC000621782505 370532500 /nfs/dbraw/zinc/53/25/00/370532500.db2.gz PVTNDFCIIWNMTK-TUAOUCFPSA-N 1 3 210.321 0.836 20 0 BCADHO CCCN(C)CC(=O)NCCC[NH2+]C(C)C ZINC000568878258 326380598 /nfs/dbraw/zinc/38/05/98/326380598.db2.gz JKXKIMJHOBTUJI-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000568984813 326384811 /nfs/dbraw/zinc/38/48/11/326384811.db2.gz QYNOYNFNJOKJHO-RNFRBKRXSA-N 1 3 241.257 0.510 20 0 BCADHO CC(C)[NH+]1CCC(N[C@@H]2CCOC[C@H]2O)CC1 ZINC000624235151 371423060 /nfs/dbraw/zinc/42/30/60/371423060.db2.gz FOTXPWFOYJQWMZ-CHWSQXEVSA-N 1 3 242.363 0.599 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000572999499 326423979 /nfs/dbraw/zinc/42/39/79/326423979.db2.gz CGHYNASWJOUYJG-ZJUUUORDSA-N 1 3 245.392 0.183 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000131721100 371661000 /nfs/dbraw/zinc/66/10/00/371661000.db2.gz LIXXWLNBGQJREG-ZJUUUORDSA-N 1 3 245.392 0.325 20 0 BCADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000366562258 181927171 /nfs/dbraw/zinc/92/71/71/181927171.db2.gz AXEOIUZMKPSZDA-DCAQKATOSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC000631823509 372602640 /nfs/dbraw/zinc/60/26/40/372602640.db2.gz GIOJSSSNXMXXOV-GARJFASQSA-N 1 3 235.335 0.435 20 0 BCADHO C[N@H+](C[C@H]1CCc2ncnn21)C1CCNCC1 ZINC000631820874 372592895 /nfs/dbraw/zinc/59/28/95/372592895.db2.gz IWPQOQXIYXUWIH-LLVKDONJSA-N 1 3 235.335 0.449 20 0 BCADHO C[N@@H+](C[C@H]1CCc2ncnn21)C1CCNCC1 ZINC000631820874 372592899 /nfs/dbraw/zinc/59/28/99/372592899.db2.gz IWPQOQXIYXUWIH-LLVKDONJSA-N 1 3 235.335 0.449 20 0 BCADHO C[NH2+]CCCN(C)C[C@@H]1CCO[C@H]1C ZINC000631828819 372609554 /nfs/dbraw/zinc/60/95/54/372609554.db2.gz ZBQAKURCDQBBTH-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631828819 372609559 /nfs/dbraw/zinc/60/95/59/372609559.db2.gz ZBQAKURCDQBBTH-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@@H+](C)C[C@@H]1CCO[C@H]1C ZINC000631828819 372609565 /nfs/dbraw/zinc/60/95/65/372609565.db2.gz ZBQAKURCDQBBTH-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)[C@H](CN)C1 ZINC000631829411 372611163 /nfs/dbraw/zinc/61/11/63/372611163.db2.gz PWKGCMQPQBTSCE-WOPDTQHZSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)[C@H](CN)C1 ZINC000631829411 372611168 /nfs/dbraw/zinc/61/11/68/372611168.db2.gz PWKGCMQPQBTSCE-WOPDTQHZSA-N 1 3 249.362 0.825 20 0 BCADHO C[C@H](CN1CCOCC1)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837685 372629098 /nfs/dbraw/zinc/62/90/98/372629098.db2.gz VRUCXGFRLGALLN-JHJVBQTASA-N 1 3 241.379 0.234 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000631826763 372605464 /nfs/dbraw/zinc/60/54/64/372605464.db2.gz WLMTWVDUCFWYTH-NWDGAFQWSA-N 1 3 249.362 0.969 20 0 BCADHO CC(C)[C@H]1CN(CCOCC[NH3+])CCN1C ZINC000631879586 372678407 /nfs/dbraw/zinc/67/84/07/372678407.db2.gz BHGAAAUHAVCEJF-GFCCVEGCSA-N 1 3 229.368 0.234 20 0 BCADHO C([C@@H]1CNCCO1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891070 372685784 /nfs/dbraw/zinc/68/57/84/372685784.db2.gz VUYBRZWKMAAZRC-FRRDWIJNSA-N 1 3 239.363 0.049 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000042166075 182027303 /nfs/dbraw/zinc/02/73/03/182027303.db2.gz VMKLELDPQVFLIP-LLVKDONJSA-N 1 3 225.336 0.341 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000227640521 182029452 /nfs/dbraw/zinc/02/94/52/182029452.db2.gz ZBYAEIIPXFZMDY-MNOVXSKESA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632862292 373197179 /nfs/dbraw/zinc/19/71/79/373197179.db2.gz AQVSPPMBZHSXGL-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(NC[C@H]1CCCC[NH2+]1)N1CCCNCC1 ZINC000634270523 374085076 /nfs/dbraw/zinc/08/50/76/374085076.db2.gz NRIBMSNICOZRHR-LLVKDONJSA-N 1 3 240.351 0.133 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418388711 206017458 /nfs/dbraw/zinc/01/74/58/206017458.db2.gz NLJFTQBBKVAHQT-AXFHLTTASA-N 1 3 242.367 0.234 20 0 BCADHO CCCN(C(=O)[C@@H]1C[C@@H]1N)C1CC[NH2+]CC1 ZINC000424131432 206031601 /nfs/dbraw/zinc/03/16/01/206031601.db2.gz GOXPZUBIZPNUGP-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CN(C)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424131461 206032715 /nfs/dbraw/zinc/03/27/15/206032715.db2.gz GQNUCYQTNDFZAA-FRRDWIJNSA-N 1 3 247.342 0.753 20 0 BCADHO O=C(N[C@H]1CCCC[NH2+]C1)N1CCCNCC1 ZINC000333705576 182328338 /nfs/dbraw/zinc/32/83/38/182328338.db2.gz RLDXFLGAHOQGLY-NSHDSACASA-N 1 3 240.351 0.133 20 0 BCADHO CCCCN(C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000166640846 206140218 /nfs/dbraw/zinc/14/02/18/206140218.db2.gz HCZDGPATVJTESA-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO O=C(Nc1cccc2c1CNCC2)[C@@H]1CC[NH2+]C1 ZINC000367652427 182372881 /nfs/dbraw/zinc/37/28/81/182372881.db2.gz DHKNOHACMPEPPO-LLVKDONJSA-N 1 3 245.326 0.880 20 0 BCADHO OCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000224122539 183078983 /nfs/dbraw/zinc/07/89/83/183078983.db2.gz IVFHBQQDANQSIB-SDDRHHMPSA-N 1 3 212.337 0.879 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359381639 169005633 /nfs/dbraw/zinc/00/56/33/169005633.db2.gz BXNZRZKILKTZLA-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[C@@H](C)[NH3+] ZINC000309000697 169007719 /nfs/dbraw/zinc/00/77/19/169007719.db2.gz OAXLELRBKWJLJT-BDAKNGLRSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000309450581 169007925 /nfs/dbraw/zinc/00/79/25/169007925.db2.gz MLMYIFWUBUDSOD-ZJUUUORDSA-N 1 3 215.341 0.618 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309807261 169007931 /nfs/dbraw/zinc/00/79/31/169007931.db2.gz SMOHWOJCLLHUIW-VHSXEESVSA-N 1 3 213.325 0.357 20 0 BCADHO O[C@@H](C[NH2+]CC1=CCCOC1)CN1CCCC1 ZINC000343686713 183179710 /nfs/dbraw/zinc/17/97/10/183179710.db2.gz CQSXZOPFDQUKEI-ZDUSSCGKSA-N 1 3 240.347 0.379 20 0 BCADHO O[C@@H](CN[C@@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000052014577 183180053 /nfs/dbraw/zinc/18/00/53/183180053.db2.gz NREYEYKDUKTLQO-XQQFMLRXSA-N 1 3 242.363 0.336 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000362497638 169068060 /nfs/dbraw/zinc/06/80/60/169068060.db2.gz JDEVWXJJZULEPP-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358534921 169069333 /nfs/dbraw/zinc/06/93/33/169069333.db2.gz MLNXESGXJVGNGX-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO CCCN(C)CC(=O)NCC[N@H+](CC)C1CC1 ZINC000359270959 169070801 /nfs/dbraw/zinc/07/08/01/169070801.db2.gz KYWMBTYPLMCEFC-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN(C)CC(=O)NCC[N@@H+](CC)C1CC1 ZINC000359270959 169070804 /nfs/dbraw/zinc/07/08/04/169070804.db2.gz KYWMBTYPLMCEFC-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000355591305 169071417 /nfs/dbraw/zinc/07/14/17/169071417.db2.gz JLPKVMNUBNGHPA-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000355591305 169071419 /nfs/dbraw/zinc/07/14/19/169071419.db2.gz JLPKVMNUBNGHPA-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000355591303 169073170 /nfs/dbraw/zinc/07/31/70/169073170.db2.gz JLPKVMNUBNGHPA-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000355591303 169073171 /nfs/dbraw/zinc/07/31/71/169073171.db2.gz JLPKVMNUBNGHPA-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357290714 169073186 /nfs/dbraw/zinc/07/31/86/169073186.db2.gz DIDGNZGUYHMXLM-GMXVVIOVSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN(C)CC(=O)N(C)CC[NH2+]C ZINC000309624629 169065727 /nfs/dbraw/zinc/06/57/27/169065727.db2.gz INLZKLMVYARCNF-UHFFFAOYSA-N 1 3 201.314 0.006 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)CC ZINC000226407239 169120685 /nfs/dbraw/zinc/12/06/85/169120685.db2.gz JEXPBPLRXJLOTC-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)CC ZINC000226407239 169120687 /nfs/dbraw/zinc/12/06/87/169120687.db2.gz JEXPBPLRXJLOTC-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCC[NH+](CCC)CCCNC(=O)CNC ZINC000236991364 169146950 /nfs/dbraw/zinc/14/69/50/169146950.db2.gz ULNINSNHBZUOIG-UHFFFAOYSA-N 1 3 229.368 0.834 20 0 BCADHO CCC[NH+]1CCC(N(C)CCC(=O)NC)CC1 ZINC000111240532 169187456 /nfs/dbraw/zinc/18/74/56/169187456.db2.gz ZEFPJVPUOACUHS-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCC[NH+]1CCC(N[C@H](CO)CCOC)CC1 ZINC000305937626 169189126 /nfs/dbraw/zinc/18/91/26/169189126.db2.gz QKPNDHBXBCCEIM-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)CC[NH2+]C ZINC000236763314 169194688 /nfs/dbraw/zinc/19/46/88/169194688.db2.gz NLPSODDMPPUOIQ-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000358950058 169194773 /nfs/dbraw/zinc/19/47/73/169194773.db2.gz WKZMQCXPNKMQBO-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236766167 169197713 /nfs/dbraw/zinc/19/77/13/169197713.db2.gz UOVRGKJYXDANQZ-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)CC[NH2+]C ZINC000236765252 169198986 /nfs/dbraw/zinc/19/89/86/169198986.db2.gz NLPSODDMPPUOIQ-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO c1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000077403805 183345564 /nfs/dbraw/zinc/34/55/64/183345564.db2.gz DGCZLMCTOTVFGY-CQSZACIVSA-N 1 3 246.358 0.561 20 0 BCADHO c1cc(CNCCN2CC[NH2+]CC2)cs1 ZINC000063147339 183350619 /nfs/dbraw/zinc/35/06/19/183350619.db2.gz ZWNPQGGRZVJVJR-UHFFFAOYSA-N 1 3 225.361 0.743 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC(C[NH2+]C)CC1 ZINC000063166176 169240771 /nfs/dbraw/zinc/24/07/71/169240771.db2.gz VQPWCLHXSYSBQJ-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000226399993 169387783 /nfs/dbraw/zinc/38/77/83/169387783.db2.gz BCJNEUKROUPJDA-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000226399993 169387784 /nfs/dbraw/zinc/38/77/84/169387784.db2.gz BCJNEUKROUPJDA-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CCC[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378172118 169386775 /nfs/dbraw/zinc/38/67/75/169386775.db2.gz XZWPXKXBGGOEPS-GFCCVEGCSA-N 1 3 239.363 0.857 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN)[C@H](C)C1 ZINC000178814157 134315695 /nfs/dbraw/zinc/31/56/95/134315695.db2.gz LDJYNLHXHYCWKM-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CN)[C@H](C)C1 ZINC000178814157 134315696 /nfs/dbraw/zinc/31/56/96/134315696.db2.gz LDJYNLHXHYCWKM-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCN(C)C ZINC000309838153 169398968 /nfs/dbraw/zinc/39/89/68/169398968.db2.gz BXBHFPWGPRHKPT-LLVKDONJSA-N 1 3 229.368 0.831 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1 ZINC000309620230 383884602 /nfs/dbraw/zinc/88/46/02/383884602.db2.gz GUHLYLCLQLYSMG-JTQLQIEISA-N 1 3 213.325 0.244 20 0 BCADHO C[NH2+]CCN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000569360803 383895586 /nfs/dbraw/zinc/89/55/86/383895586.db2.gz SMNZGIXWFKIBBU-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)CCC[NH3+] ZINC000569361685 383902394 /nfs/dbraw/zinc/90/23/94/383902394.db2.gz LXIJRCWQTUYBIX-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000569361684 383902499 /nfs/dbraw/zinc/90/24/99/383902499.db2.gz LXIJRCWQTUYBIX-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CC[C@H]1CN(C(=O)C2(N)CCCC2)CC[C@@H]1[NH3+] ZINC000648126046 383984011 /nfs/dbraw/zinc/98/40/11/383984011.db2.gz YURHIDVJXIUHCR-QWRGUYRKSA-N 1 3 239.363 0.844 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000357234013 383964499 /nfs/dbraw/zinc/96/44/99/383964499.db2.gz AFSNEXVQTZKIGB-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CO[C@@H]1CCC[C@@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000643542396 383966447 /nfs/dbraw/zinc/96/64/47/383966447.db2.gz KOPUKQDLWBUIQB-UPJWGTAASA-N 1 3 242.363 0.912 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000449358962 383970240 /nfs/dbraw/zinc/97/02/40/383970240.db2.gz HAMNSEAXTZXZCW-BXKDBHETSA-N 1 3 237.347 0.480 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462229 383971060 /nfs/dbraw/zinc/97/10/60/383971060.db2.gz GIUWZHWMBGHZQZ-IJLUTSLNSA-N 1 3 239.363 0.524 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(C)(C)N)C1 ZINC000237182522 383975984 /nfs/dbraw/zinc/97/59/84/383975984.db2.gz TYNRKISXIHYDQM-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000157815008 384004578 /nfs/dbraw/zinc/00/45/78/384004578.db2.gz ULGHJSYPFZRUKP-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@H+]1C ZINC000157815008 384004585 /nfs/dbraw/zinc/00/45/85/384004585.db2.gz ULGHJSYPFZRUKP-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000157815152 384004765 /nfs/dbraw/zinc/00/47/65/384004765.db2.gz ULGHJSYPFZRUKP-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCC2)CC[N@H+]1C ZINC000157815152 384004770 /nfs/dbraw/zinc/00/47/70/384004770.db2.gz ULGHJSYPFZRUKP-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@@H+]1C ZINC000157815428 384005711 /nfs/dbraw/zinc/00/57/11/384005711.db2.gz ULGHJSYPFZRUKP-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[N@H+]1C ZINC000157815428 384005718 /nfs/dbraw/zinc/00/57/18/384005718.db2.gz ULGHJSYPFZRUKP-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H]1C ZINC000648127733 384054815 /nfs/dbraw/zinc/05/48/15/384054815.db2.gz UQGFMBNISOGHFZ-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000648127718 384055038 /nfs/dbraw/zinc/05/50/38/384055038.db2.gz PYPDCSBSZZJAFJ-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@]1(CNC(=O)[C@@H](N)CC(F)F)CCC[NH2+]C1 ZINC000569456155 384061555 /nfs/dbraw/zinc/06/15/55/384061555.db2.gz VYNXCPNIJDFCFA-GZMMTYOYSA-N 1 3 249.305 0.475 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309497602 384099091 /nfs/dbraw/zinc/09/90/91/384099091.db2.gz UEROUTJWKLFEEV-OPRDCNLKSA-N 1 3 213.325 0.500 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000335895224 384092913 /nfs/dbraw/zinc/09/29/13/384092913.db2.gz JWJZROXWXPXONQ-MNOVXSKESA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC[NH2+]C1 ZINC000648140897 384171651 /nfs/dbraw/zinc/17/16/51/384171651.db2.gz PGRLKNPKETVYJM-JBLDHEPKSA-N 1 3 243.326 0.192 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080992983 384178742 /nfs/dbraw/zinc/17/87/42/384178742.db2.gz DLVLBQRQBGPMKK-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC2(C1)CC[NH2+]CC2 ZINC000310496853 384181976 /nfs/dbraw/zinc/18/19/76/384181976.db2.gz IJXAOPXEEQFZQJ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO Cn1cncc1CCN[C@H]1CC[NH2+]CC1(C)C ZINC000401878346 384191937 /nfs/dbraw/zinc/19/19/37/384191937.db2.gz OVTMSZAYDORFAI-LBPRGKRZSA-N 1 3 236.363 0.940 20 0 BCADHO Cn1cncc1CC[NH2+][C@H]1CCNCC1(C)C ZINC000401878346 384191940 /nfs/dbraw/zinc/19/19/40/384191940.db2.gz OVTMSZAYDORFAI-LBPRGKRZSA-N 1 3 236.363 0.940 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773200 384295934 /nfs/dbraw/zinc/29/59/34/384295934.db2.gz NAVSNAVGFMAKOW-YFKTTZPYSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773200 384295941 /nfs/dbraw/zinc/29/59/41/384295941.db2.gz NAVSNAVGFMAKOW-YFKTTZPYSA-N 1 3 237.347 0.276 20 0 BCADHO [NH3+]C[C@@H](NC(=O)[C@H]1CCCCN1)C1CCCC1 ZINC000333672928 384297232 /nfs/dbraw/zinc/29/72/32/384297232.db2.gz YNBOEOWEAQUYNT-VXGBXAGGSA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@@H](C)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000224293229 384351125 /nfs/dbraw/zinc/35/11/25/384351125.db2.gz HQVBZERFBOSMGL-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC[C@@H](CC[NH3+])C1 ZINC000224290259 384352094 /nfs/dbraw/zinc/35/20/94/384352094.db2.gz YDPMESOZXZCGDM-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000095088029 384361227 /nfs/dbraw/zinc/36/12/27/384361227.db2.gz FVRWHERUUPESLT-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000249018772 384457707 /nfs/dbraw/zinc/45/77/07/384457707.db2.gz KKKUIRQKPRMSLH-GUBZILKMSA-N 1 3 227.352 0.569 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000335653299 384439489 /nfs/dbraw/zinc/43/94/89/384439489.db2.gz GVVIIOTZNARLPU-LBPRGKRZSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[NH+](CC)CC ZINC000036871325 384460005 /nfs/dbraw/zinc/46/00/05/384460005.db2.gz VBFADEJBCFDYDO-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO C[C@H](CNC(=O)C1(N)CCC1)C[NH+]1CCCC1 ZINC000148254267 384462269 /nfs/dbraw/zinc/46/22/69/384462269.db2.gz XTTQKTHQEUBVBL-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@H](N)C(=O)NCCC[NH+](CC)CC ZINC000036871324 384458108 /nfs/dbraw/zinc/45/81/08/384458108.db2.gz VBFADEJBCFDYDO-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CN(C(=O)[C@@H](N)CC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000648176582 384496790 /nfs/dbraw/zinc/49/67/90/384496790.db2.gz CJFRBENJCJHORA-YUMQZZPRSA-N 1 3 235.278 0.165 20 0 BCADHO CN(C(=O)[C@H](N)CC(F)F)[C@H](C[NH3+])C1CC1 ZINC000648176579 384498151 /nfs/dbraw/zinc/49/81/51/384498151.db2.gz CJFRBENJCJHORA-HTQZYQBOSA-N 1 3 235.278 0.165 20 0 BCADHO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000647335162 384517966 /nfs/dbraw/zinc/51/79/66/384517966.db2.gz AYTFDHNTCOOMMT-CYZMBNFOSA-N 1 3 242.363 0.720 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236649685 384543477 /nfs/dbraw/zinc/54/34/77/384543477.db2.gz VUCFRUWGVVZNCW-LBPRGKRZSA-N 1 3 229.368 0.816 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000151353352 384568937 /nfs/dbraw/zinc/56/89/37/384568937.db2.gz MINJDEVOSGAWBF-SNVBAGLBSA-N 1 3 215.341 0.298 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000517926059 384574242 /nfs/dbraw/zinc/57/42/42/384574242.db2.gz WPSFQRZHWHJSKE-FOGDFJRCSA-N 1 3 230.352 0.455 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000517926059 384574246 /nfs/dbraw/zinc/57/42/46/384574246.db2.gz WPSFQRZHWHJSKE-FOGDFJRCSA-N 1 3 230.352 0.455 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000236783792 384577727 /nfs/dbraw/zinc/57/77/27/384577727.db2.gz WGDRWWUYLKZHQC-UMNHJUIQSA-N 1 3 239.363 0.711 20 0 BCADHO C[C@@H]1C[NH+](CCN2CCNCC2)C[C@H]1C ZINC000086010081 384587378 /nfs/dbraw/zinc/58/73/78/384587378.db2.gz LUIRVHQFRPNEGN-VXGBXAGGSA-N 1 3 211.353 0.479 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624257 384589869 /nfs/dbraw/zinc/58/98/69/384589869.db2.gz QNVKRXAFSLDOOI-NEPJUHHUSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624257 384589878 /nfs/dbraw/zinc/58/98/78/384589878.db2.gz QNVKRXAFSLDOOI-NEPJUHHUSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](C)N(C)C ZINC000561208859 384567502 /nfs/dbraw/zinc/56/75/02/384567502.db2.gz VRFIDKHNPUIQDR-NSHDSACASA-N 1 3 244.383 0.624 20 0 BCADHO C[C@H]1CCN(Cc2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000643079576 384619147 /nfs/dbraw/zinc/61/91/47/384619147.db2.gz IQTXGGXZOXQELM-AAEUAGOBSA-N 1 3 249.358 0.802 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309807259 384634003 /nfs/dbraw/zinc/63/40/03/384634003.db2.gz SMOHWOJCLLHUIW-NXEZZACHSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@H+]1CCN1CCNCC1 ZINC000157872879 384599897 /nfs/dbraw/zinc/59/98/97/384599897.db2.gz TXXCPWOVVMIACV-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@@H+]1CCN1CCNCC1 ZINC000157872879 384599901 /nfs/dbraw/zinc/59/99/01/384599901.db2.gz TXXCPWOVVMIACV-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO CN(C)C(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000086638211 384670378 /nfs/dbraw/zinc/67/03/78/384670378.db2.gz NNHAQANBIVAWRT-UHFFFAOYSA-N 1 3 215.341 0.381 20 0 BCADHO CN(C)C(=O)CC[N@H+](C)CC(C)(C)CN ZINC000086638211 384670382 /nfs/dbraw/zinc/67/03/82/384670382.db2.gz NNHAQANBIVAWRT-UHFFFAOYSA-N 1 3 215.341 0.381 20 0 BCADHO CN(C)C(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000086638211 384670385 /nfs/dbraw/zinc/67/03/85/384670385.db2.gz NNHAQANBIVAWRT-UHFFFAOYSA-N 1 3 215.341 0.381 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)C(C)(C)C ZINC000162625258 384657233 /nfs/dbraw/zinc/65/72/33/384657233.db2.gz ZQIXKEROJHNMTD-UWVGGRQHSA-N 1 3 229.368 0.816 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(CCN(C)C)C1CCCC1 ZINC000054075523 384730530 /nfs/dbraw/zinc/73/05/30/384730530.db2.gz IYSCQBOITGSOAQ-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000126670245 384819769 /nfs/dbraw/zinc/81/97/69/384819769.db2.gz BLYYWDKBJQXLNE-CYZMBNFOSA-N 1 3 247.342 0.801 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000648202459 384825345 /nfs/dbraw/zinc/82/53/45/384825345.db2.gz VBTXTXSNNXYTMZ-SNVBAGLBSA-N 1 3 247.342 0.902 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000104418490 384826959 /nfs/dbraw/zinc/82/69/59/384826959.db2.gz YWJVTTDCPQVGQL-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335600048 384782547 /nfs/dbraw/zinc/78/25/47/384782547.db2.gz FLBRPQSEKICQQT-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO CCN(CC)CC(=O)NCC1CC[NH+](C)CC1 ZINC000101522311 384787408 /nfs/dbraw/zinc/78/74/08/384787408.db2.gz LVHUULWMYOYXLQ-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000648188094 384799551 /nfs/dbraw/zinc/79/95/51/384799551.db2.gz RIEIBJIRPLORJI-IWSPIJDZSA-N 1 3 215.341 0.602 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000648187952 384799783 /nfs/dbraw/zinc/79/97/83/384799783.db2.gz GJRLBAGUQXINQP-XHNCKOQMSA-N 1 3 201.314 0.212 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(N)CCCC1 ZINC000648187915 384800539 /nfs/dbraw/zinc/80/05/39/384800539.db2.gz CGMXHSBJTAXIOJ-IUCAKERBSA-N 1 3 213.325 0.500 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000648190310 384802338 /nfs/dbraw/zinc/80/23/38/384802338.db2.gz QJJAKLMTFQWDPW-CIUDSAMLSA-N 1 3 249.305 0.473 20 0 BCADHO CNCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847018 384804520 /nfs/dbraw/zinc/80/45/20/384804520.db2.gz BTQNSGVECBZLGU-FGWVZKOKSA-N 1 3 225.336 0.337 20 0 BCADHO CNCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847018 384804527 /nfs/dbraw/zinc/80/45/27/384804527.db2.gz BTQNSGVECBZLGU-FGWVZKOKSA-N 1 3 225.336 0.337 20 0 BCADHO Cc1ccc(C[NH+](C)C)cc1NC(=O)CN ZINC000083903405 384811140 /nfs/dbraw/zinc/81/11/40/384811140.db2.gz XCQIESBPEWEMAO-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO CN(C(=O)[C@H]1NCCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000565765481 384957701 /nfs/dbraw/zinc/95/77/01/384957701.db2.gz QXZNKYMAZAYEMB-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC000564941433 384907236 /nfs/dbraw/zinc/90/72/36/384907236.db2.gz WXDYACRNCBUSIY-UHFFFAOYSA-N 1 3 229.368 0.831 20 0 BCADHO C[C@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561684 384959275 /nfs/dbraw/zinc/95/92/75/384959275.db2.gz DZQDKJRUHMHPKS-RYUDHWBXSA-N 1 3 241.379 0.125 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000257362115 384923890 /nfs/dbraw/zinc/92/38/90/384923890.db2.gz AEXFFJPCAWSWDI-VLEAKVRGSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000257362115 384923896 /nfs/dbraw/zinc/92/38/96/384923896.db2.gz AEXFFJPCAWSWDI-VLEAKVRGSA-N 1 3 223.320 0.077 20 0 BCADHO CC(C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128054207 384923859 /nfs/dbraw/zinc/92/38/59/384923859.db2.gz XQMDIAPYVNXUII-GHMZBOCLSA-N 1 3 212.337 0.974 20 0 BCADHO CC(C)(O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128054207 384923867 /nfs/dbraw/zinc/92/38/67/384923867.db2.gz XQMDIAPYVNXUII-GHMZBOCLSA-N 1 3 212.337 0.974 20 0 BCADHO CCSCC[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313334440 384964761 /nfs/dbraw/zinc/96/47/61/384964761.db2.gz GMNGCCBONSAJFO-JTQLQIEISA-N 1 3 218.366 0.789 20 0 BCADHO CCSCC[N@H+]1CCCO[C@@H](CN)C1 ZINC000313334440 384964766 /nfs/dbraw/zinc/96/47/66/384964766.db2.gz GMNGCCBONSAJFO-JTQLQIEISA-N 1 3 218.366 0.789 20 0 BCADHO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCCNCC1 ZINC000647615180 384966329 /nfs/dbraw/zinc/96/63/29/384966329.db2.gz OUCJONHSFVBALV-SECBINFHSA-N 1 3 247.289 0.053 20 0 BCADHO C[C@@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000644574352 384977027 /nfs/dbraw/zinc/97/70/27/384977027.db2.gz RYRCEPVKACOUDX-ZJUUUORDSA-N 1 3 202.342 0.933 20 0 BCADHO CCN(CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1 ZINC000226397749 385008562 /nfs/dbraw/zinc/00/85/62/385008562.db2.gz UCGFBFBULLNBMF-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000226399269 385008941 /nfs/dbraw/zinc/00/89/41/385008941.db2.gz ABJQLUIEUSCPPD-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[N@H+](C)C1CC1 ZINC000226399256 385009119 /nfs/dbraw/zinc/00/91/19/385009119.db2.gz ORXXPUXECONJMZ-MWLCHTKSSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000226399256 385009123 /nfs/dbraw/zinc/00/91/23/385009123.db2.gz ORXXPUXECONJMZ-MWLCHTKSSA-N 1 3 241.379 0.959 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484947 385055191 /nfs/dbraw/zinc/05/51/91/385055191.db2.gz IIDFUFANGWLBQH-ZYHUDNBSSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484947 385055199 /nfs/dbraw/zinc/05/51/99/385055199.db2.gz IIDFUFANGWLBQH-ZYHUDNBSSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037485367 385056310 /nfs/dbraw/zinc/05/63/10/385056310.db2.gz NYGZQEJURMCWQC-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037485367 385056315 /nfs/dbraw/zinc/05/63/15/385056315.db2.gz NYGZQEJURMCWQC-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO Cc1cnn(CCN[C@H]2C[C@H]([NH3+])C2(C)C)c1 ZINC000404787476 385061457 /nfs/dbraw/zinc/06/14/57/385061457.db2.gz PYGUMWIVCKBTSA-QWRGUYRKSA-N 1 3 222.336 0.907 20 0 BCADHO Cc1cnn(CC[NH2+][C@H]2C[C@H](N)C2(C)C)c1 ZINC000404787476 385061465 /nfs/dbraw/zinc/06/14/65/385061465.db2.gz PYGUMWIVCKBTSA-QWRGUYRKSA-N 1 3 222.336 0.907 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404807360 385076886 /nfs/dbraw/zinc/07/68/86/385076886.db2.gz ZYUZFNPERBVRJV-IJLUTSLNSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@H](CC(=O)NCCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000156981594 385030703 /nfs/dbraw/zinc/03/07/03/385030703.db2.gz NKBUXQDENUBBRI-RYUDHWBXSA-N 1 3 241.379 0.690 20 0 BCADHO Cn1cncc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310547292 385110715 /nfs/dbraw/zinc/11/07/15/385110715.db2.gz FCPODXHZSGIJOO-TXEJJXNPSA-N 1 3 234.347 0.852 20 0 BCADHO C[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646989803 385118610 /nfs/dbraw/zinc/11/86/10/385118610.db2.gz OVXQMYWPZOJUBR-QMMMGPOBSA-N 1 3 219.288 0.253 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646988417 385120775 /nfs/dbraw/zinc/12/07/75/385120775.db2.gz PBPHBWOQKLNEDF-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000310570655 385122929 /nfs/dbraw/zinc/12/29/29/385122929.db2.gz NWPVOXDVFGCIAX-BETUJISGSA-N 1 3 234.347 0.852 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646994015 385123696 /nfs/dbraw/zinc/12/36/96/385123696.db2.gz RUEOXKBXEVUIAY-JTQLQIEISA-N 1 3 227.352 0.700 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998227 385131207 /nfs/dbraw/zinc/13/12/07/385131207.db2.gz XDEOIXQATKPDOD-GJMOJQLCSA-N 1 3 235.278 0.355 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000647001666 385137454 /nfs/dbraw/zinc/13/74/54/385137454.db2.gz JBELOHLLVKOTMH-OPRDCNLKSA-N 1 3 225.336 0.099 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)C2CCC2)CC[NH2+]1 ZINC000647018317 385143396 /nfs/dbraw/zinc/14/33/96/385143396.db2.gz BLQHRCMNLKQZRZ-DVVUODLYSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H]([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000647022757 385155873 /nfs/dbraw/zinc/15/58/73/385155873.db2.gz DUJRJFCODSDYKX-GXSJLCMTSA-N 1 3 221.304 0.540 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)C1(N)CCC1 ZINC000449129355 385160020 /nfs/dbraw/zinc/16/00/20/385160020.db2.gz BUFNWFDEPYNKKR-UHFFFAOYSA-N 1 3 213.325 0.502 20 0 BCADHO N[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)C1CCC1 ZINC000647026809 385160610 /nfs/dbraw/zinc/16/06/10/385160610.db2.gz VYYNACVNESVQTN-ZYHUDNBSSA-N 1 3 239.363 0.701 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000647030175 385163781 /nfs/dbraw/zinc/16/37/81/385163781.db2.gz GWSUIFHFHBDFDP-JQWIXIFHSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000566249378 385172045 /nfs/dbraw/zinc/17/20/45/385172045.db2.gz XCNSGLJVZNJBTF-NTZNESFSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000647073636 385231838 /nfs/dbraw/zinc/23/18/38/385231838.db2.gz ITAOFGDVZSOPQA-GARJFASQSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C[C@@H]1C[NH3+] ZINC000647086842 385251291 /nfs/dbraw/zinc/25/12/91/385251291.db2.gz MVCSJZCOMXSISE-VWYCJHECSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C[C@@H]1C[NH3+] ZINC000647086841 385251492 /nfs/dbraw/zinc/25/14/92/385251492.db2.gz MVCSJZCOMXSISE-OUAUKWLOSA-N 1 3 239.363 0.428 20 0 BCADHO [NH3+]C1(CC(=O)NC[C@@H]2C[C@H](F)CN2)CCC1 ZINC000647058111 385203019 /nfs/dbraw/zinc/20/30/19/385203019.db2.gz NMBKCSOZXYPBIQ-IUCAKERBSA-N 1 3 229.299 0.074 20 0 BCADHO CN(C)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157931636 385314260 /nfs/dbraw/zinc/31/42/60/385314260.db2.gz FHYHZIZHPBDJHO-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO CN(C)C[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157931636 385314267 /nfs/dbraw/zinc/31/42/67/385314267.db2.gz FHYHZIZHPBDJHO-JHJVBQTASA-N 1 3 241.379 0.125 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000167466700 385319078 /nfs/dbraw/zinc/31/90/78/385319078.db2.gz IATKBIPGRJJALH-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCNC(C)(C)C2)CC[N@@H+]1C ZINC000648148791 385264810 /nfs/dbraw/zinc/26/48/10/385264810.db2.gz ICEUHMOVHMFBOS-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCNC(C)(C)C2)CC[N@H+]1C ZINC000648148791 385264815 /nfs/dbraw/zinc/26/48/15/385264815.db2.gz ICEUHMOVHMFBOS-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO CCCCN(C)CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000166641484 385267915 /nfs/dbraw/zinc/26/79/15/385267915.db2.gz FXPMQDUWIFDDCV-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000157808392 385284639 /nfs/dbraw/zinc/28/46/39/385284639.db2.gz FBTNNAICTLHFNA-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000157808392 385284642 /nfs/dbraw/zinc/28/46/42/385284642.db2.gz FBTNNAICTLHFNA-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO CN(C)CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000367497537 385290488 /nfs/dbraw/zinc/29/04/88/385290488.db2.gz MCWCIFNRCUZIBW-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000178826546 385332111 /nfs/dbraw/zinc/33/21/11/385332111.db2.gz ISLJZUGIEBXEOJ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165017659 385338880 /nfs/dbraw/zinc/33/88/80/385338880.db2.gz DLJZROFGXAQEDX-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1cn[nH]c1 ZINC000309009025 385358822 /nfs/dbraw/zinc/35/88/22/385358822.db2.gz OHJNQYHJDQDRHQ-KOLCDFICSA-N 1 3 208.309 0.621 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000179169757 385371294 /nfs/dbraw/zinc/37/12/94/385371294.db2.gz URDMMJXHZGMVCT-WCQYABFASA-N 1 3 249.358 0.701 20 0 BCADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151177 385327040 /nfs/dbraw/zinc/32/70/40/385327040.db2.gz QKQGKGQFUKMCMH-GRYCIOLGSA-N 1 3 210.321 0.563 20 0 BCADHO Cc1ccc([C@H](CNC(=O)CN)[NH+](C)C)cc1 ZINC000165627678 385405281 /nfs/dbraw/zinc/40/52/81/385405281.db2.gz XKBNZTAUOYVJMX-LBPRGKRZSA-N 1 3 235.331 0.673 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)/C=C/C[NH+](C)C ZINC000492648290 385412618 /nfs/dbraw/zinc/41/26/18/385412618.db2.gz NWDHDJUFNMADCQ-AATRIKPKSA-N 1 3 239.363 0.657 20 0 BCADHO [NH3+]C[C@H](NC(=O)[C@@H]1CNCCC1(F)F)C1CC1 ZINC000644068859 385417706 /nfs/dbraw/zinc/41/77/06/385417706.db2.gz UBGNIUAMOLZWGO-IUCAKERBSA-N 1 3 247.289 0.085 20 0 BCADHO N[C@@H](CC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806622 385420357 /nfs/dbraw/zinc/42/03/57/385420357.db2.gz QBRLMMLIUSETGG-STQMWFEESA-N 1 3 247.342 0.945 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000644089818 385441199 /nfs/dbraw/zinc/44/11/99/385441199.db2.gz NKDDZMNYBDDXSR-IUCAKERBSA-N 1 3 247.289 0.052 20 0 BCADHO O=C(CNC1CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095348 385447277 /nfs/dbraw/zinc/44/72/77/385447277.db2.gz JABYZHDQTGQRNW-UHFFFAOYSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1CNCCC1(F)F ZINC000644083135 385432767 /nfs/dbraw/zinc/43/27/67/385432767.db2.gz VFPNGFWYFDQCSK-BDAKNGLRSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1cccc2c1CCNC2 ZINC000644086580 385437344 /nfs/dbraw/zinc/43/73/44/385437344.db2.gz BMNBMVMOZSEQBT-SECBINFHSA-N 1 3 233.315 0.866 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000518767613 385475543 /nfs/dbraw/zinc/47/55/43/385475543.db2.gz RVOHRRKZIIIBPE-ZJUUUORDSA-N 1 3 245.392 0.183 20 0 BCADHO CN(CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC1 ZINC000364599233 385478723 /nfs/dbraw/zinc/47/87/23/385478723.db2.gz KRRHFKJQYFCHDR-YPMHNXCESA-N 1 3 237.347 0.196 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000644107466 385480475 /nfs/dbraw/zinc/48/04/75/385480475.db2.gz POFWIEJTPNNTFW-GWCFXTLKSA-N 1 3 239.363 0.490 20 0 BCADHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000644811871 385517380 /nfs/dbraw/zinc/51/73/80/385517380.db2.gz BHJGNUJXBTYKEZ-SRVKXCTJSA-N 1 3 237.347 0.101 20 0 BCADHO CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000644811871 385517386 /nfs/dbraw/zinc/51/73/86/385517386.db2.gz BHJGNUJXBTYKEZ-SRVKXCTJSA-N 1 3 237.347 0.101 20 0 BCADHO CC(C)[NH+]1CCC(N[C@H]2CCC(=O)NC2)CC1 ZINC000111016259 385497801 /nfs/dbraw/zinc/49/78/01/385497801.db2.gz CHGPNXNJJFLZJY-LBPRGKRZSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000644126381 385504227 /nfs/dbraw/zinc/50/42/27/385504227.db2.gz QYARLXQICLEKNN-DBIOUOCHSA-N 1 3 239.363 0.487 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000644132347 385513810 /nfs/dbraw/zinc/51/38/10/385513810.db2.gz QIHHTTUHFLYHQJ-MNOVXSKESA-N 1 3 239.363 0.633 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644145973 385536773 /nfs/dbraw/zinc/53/67/73/385536773.db2.gz WTJYQSIEVGXQAC-NXEZZACHSA-N 1 3 237.347 0.243 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000644139897 385524138 /nfs/dbraw/zinc/52/41/38/385524138.db2.gz RMUGUSYPHORBBQ-SECBINFHSA-N 1 3 249.314 0.702 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309395673 385561366 /nfs/dbraw/zinc/56/13/66/385561366.db2.gz GOAVCWCDUJQHFK-RKDXNWHRSA-N 1 3 213.325 0.357 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000054076298 385594487 /nfs/dbraw/zinc/59/44/87/385594487.db2.gz LOROCKGTIAERKX-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000309455642 385588205 /nfs/dbraw/zinc/58/82/05/385588205.db2.gz NPGSRABAVLCKOQ-IQJOONFLSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000309455640 385588436 /nfs/dbraw/zinc/58/84/36/385588436.db2.gz NPGSRABAVLCKOQ-ATZCPNFKSA-N 1 3 211.309 0.064 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000107891096 385590929 /nfs/dbraw/zinc/59/09/29/385590929.db2.gz FKQOKSXMQVYUAM-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000107891096 385590934 /nfs/dbraw/zinc/59/09/34/385590934.db2.gz FKQOKSXMQVYUAM-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000228327573 385652021 /nfs/dbraw/zinc/65/20/21/385652021.db2.gz GFPXIWWRYGCJON-LNFKQOIKSA-N 1 3 232.393 0.816 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000228327573 385652025 /nfs/dbraw/zinc/65/20/25/385652025.db2.gz GFPXIWWRYGCJON-LNFKQOIKSA-N 1 3 232.393 0.816 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000309516002 385654770 /nfs/dbraw/zinc/65/47/70/385654770.db2.gz YSLKKOHQMIODIN-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCNCC2(C)C)C1 ZINC000259172794 385683693 /nfs/dbraw/zinc/68/36/93/385683693.db2.gz OEVPXENAGUGZAJ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@H+]1CC[C@H](CC(=O)N2CCNCC2(C)C)C1 ZINC000259172794 385683695 /nfs/dbraw/zinc/68/36/95/385683695.db2.gz OEVPXENAGUGZAJ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCNCC2(C)C)C1 ZINC000259172799 385684673 /nfs/dbraw/zinc/68/46/73/385684673.db2.gz OEVPXENAGUGZAJ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCNCC2(C)C)C1 ZINC000259172799 385684679 /nfs/dbraw/zinc/68/46/79/385684679.db2.gz OEVPXENAGUGZAJ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000337623458 385734745 /nfs/dbraw/zinc/73/47/45/385734745.db2.gz IIYDHIIVPWKLOW-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)NC ZINC000309629782 385753602 /nfs/dbraw/zinc/75/36/02/385753602.db2.gz HLPKQPULZKLQFO-LLVKDONJSA-N 1 3 229.368 0.833 20 0 BCADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)NC ZINC000309629782 385753605 /nfs/dbraw/zinc/75/36/05/385753605.db2.gz HLPKQPULZKLQFO-LLVKDONJSA-N 1 3 229.368 0.833 20 0 BCADHO Cn1cnc(CCC[NH2+][C@@H]2CCC[C@@H]2CN)n1 ZINC000647801384 385809496 /nfs/dbraw/zinc/80/94/96/385809496.db2.gz UJIUQCASSQZIOG-GHMZBOCLSA-N 1 3 237.351 0.465 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCc1cccc(CN(C)C)c1 ZINC000262535366 385856989 /nfs/dbraw/zinc/85/69/89/385856989.db2.gz MOEPNIVMDHHDNT-NSHDSACASA-N 1 3 249.358 0.959 20 0 BCADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CN)cc1 ZINC000262438406 385845697 /nfs/dbraw/zinc/84/56/97/385845697.db2.gz MPEWHDCKHQDTSE-LBPRGKRZSA-N 1 3 235.331 0.885 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H](CC)CN1CCCC1 ZINC000638115888 385852645 /nfs/dbraw/zinc/85/26/45/385852645.db2.gz KDWIDBORMNSULC-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000647841273 385889821 /nfs/dbraw/zinc/88/98/21/385889821.db2.gz FSZVOFMRHSLBJG-SSDOTTSWSA-N 1 3 235.278 0.179 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000647841429 385890030 /nfs/dbraw/zinc/89/00/30/385890030.db2.gz SFWKLMRBVVSMBD-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)N(C)CC[NH3+])CN1C1CC1 ZINC000331747661 385891160 /nfs/dbraw/zinc/89/11/60/385891160.db2.gz DVTVZQKHCJHVFT-ZJUUUORDSA-N 1 3 240.351 0.212 20 0 BCADHO COC(C)(C)[C@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000340200709 385902984 /nfs/dbraw/zinc/90/29/84/385902984.db2.gz RDDJKOZQFVZQHE-NWDGAFQWSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335032298 385920997 /nfs/dbraw/zinc/92/09/97/385920997.db2.gz NQDWFLFNIQKKCO-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO CC1CCN(CC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000335038733 385930066 /nfs/dbraw/zinc/93/00/66/385930066.db2.gz OGRFVXMQRQCMEA-UHFFFAOYSA-N 1 3 239.363 0.666 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N1CCN2CCC1CC2 ZINC000335036411 385926347 /nfs/dbraw/zinc/92/63/47/385926347.db2.gz CPHYBQGFJMNEPA-LLVKDONJSA-N 1 3 237.347 0.435 20 0 BCADHO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000647732618 385864214 /nfs/dbraw/zinc/86/42/14/385864214.db2.gz PRRQZTKYLNDHPO-IUCAKERBSA-N 1 3 247.289 0.038 20 0 BCADHO COCCOCC[N@H+](C1CC1)C1CCNCC1 ZINC000647815148 385869139 /nfs/dbraw/zinc/86/91/39/385869139.db2.gz RFDWVDALHTYMJW-UHFFFAOYSA-N 1 3 242.363 0.866 20 0 BCADHO COCCOCC[N@@H+](C1CC1)C1CCNCC1 ZINC000647815148 385869142 /nfs/dbraw/zinc/86/91/42/385869142.db2.gz RFDWVDALHTYMJW-UHFFFAOYSA-N 1 3 242.363 0.866 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000647828194 385876446 /nfs/dbraw/zinc/87/64/46/385876446.db2.gz GDZLOGRYCUSSOS-XVKPBYJWSA-N 1 3 237.294 0.459 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000295167345 385981391 /nfs/dbraw/zinc/98/13/91/385981391.db2.gz LBBWVXNLTHRHFD-CHWSQXEVSA-N 1 3 247.342 0.410 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](N)c1ccccc1 ZINC000295192980 385988358 /nfs/dbraw/zinc/98/83/58/385988358.db2.gz ODEYBXVHDSLFTD-MFKMUULPSA-N 1 3 247.342 0.943 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000295185947 385989035 /nfs/dbraw/zinc/98/90/35/385989035.db2.gz IEVKSNIGUJNRNX-RYUDHWBXSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000295072645 385960247 /nfs/dbraw/zinc/96/02/47/385960247.db2.gz HMWADAHRFQJFED-JFGNBEQYSA-N 1 3 235.331 0.786 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)CCC[NH3+])C1 ZINC000335064436 386035832 /nfs/dbraw/zinc/03/58/32/386035832.db2.gz YKQHWKFXJYTNNK-LLVKDONJSA-N 1 3 233.315 0.642 20 0 BCADHO COC[C@H](C)[NH2+]CC1(O)CCN(C(C)C)CC1 ZINC000345169925 386038139 /nfs/dbraw/zinc/03/81/39/386038139.db2.gz VPGIGPMKGSXAKF-LBPRGKRZSA-N 1 3 244.379 0.846 20 0 BCADHO CCCC[C@@H](COC)NC[C@H]1C[NH2+]CCN1C ZINC000414978269 386040061 /nfs/dbraw/zinc/04/00/61/386040061.db2.gz RKHOIBWLBDWJRR-QWHCGFSZSA-N 1 3 243.395 0.685 20 0 BCADHO CCC[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414666407 386112452 /nfs/dbraw/zinc/11/24/52/386112452.db2.gz GFPAHBFWRAPFRP-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CCC[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414666407 386112456 /nfs/dbraw/zinc/11/24/56/386112456.db2.gz GFPAHBFWRAPFRP-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@@H](CCO)COC)[C@@H](C)C1 ZINC000345238537 386075293 /nfs/dbraw/zinc/07/52/93/386075293.db2.gz IMPGKHGOHPWNSX-AVGNSLFASA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@@H](CCO)COC)[C@@H](C)C1 ZINC000345238537 386075299 /nfs/dbraw/zinc/07/52/99/386075299.db2.gz IMPGKHGOHPWNSX-AVGNSLFASA-N 1 3 244.379 0.704 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310083674 386085733 /nfs/dbraw/zinc/08/57/33/386085733.db2.gz FKSUMFAVRIDKOA-JQWIXIFHSA-N 1 3 239.363 0.666 20 0 BCADHO COCCNCCN[C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414892430 386149004 /nfs/dbraw/zinc/14/90/04/386149004.db2.gz XAXPTQDRQKJTHB-NEPJUHHUSA-N 1 3 229.368 0.343 20 0 BCADHO CCNC(=O)CN(CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677521 386158119 /nfs/dbraw/zinc/15/81/19/386158119.db2.gz JEUKSLBCPIYKCF-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1C[C@H](CN[C@H]2CNCCC2(F)F)CC[NH2+]1 ZINC000414993527 386166711 /nfs/dbraw/zinc/16/67/11/386166711.db2.gz CMRWTSRLUDEDPQ-MXWKQRLJSA-N 1 3 247.333 0.961 20 0 BCADHO CCN(CCNC(=O)N1CC[C@H]([NH3+])C1)C1CC1 ZINC000417484769 386130828 /nfs/dbraw/zinc/13/08/28/386130828.db2.gz LAOVPXONTIFJSJ-JTQLQIEISA-N 1 3 240.351 0.213 20 0 BCADHO COC[C@@](C)(CCO)[NH2+]C[C@H](N)CC(C)C ZINC000414707007 386216560 /nfs/dbraw/zinc/21/65/60/386216560.db2.gz LYUVOJLXFQOUKI-VXGBXAGGSA-N 1 3 232.368 0.737 20 0 BCADHO C[C@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000131945455 386227519 /nfs/dbraw/zinc/22/75/19/386227519.db2.gz YSBBRSPIBIXADL-JTQLQIEISA-N 1 3 227.352 0.762 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132924316 386260383 /nfs/dbraw/zinc/26/03/83/386260383.db2.gz MMOYFRJKGAWXFH-OUAUKWLOSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132924316 386260386 /nfs/dbraw/zinc/26/03/86/386260386.db2.gz MMOYFRJKGAWXFH-OUAUKWLOSA-N 1 3 227.352 0.569 20 0 BCADHO CCCCN(CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414694722 386192892 /nfs/dbraw/zinc/19/28/92/386192892.db2.gz DQMGTCHPBOYWDU-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000091394750 386297322 /nfs/dbraw/zinc/29/73/22/386297322.db2.gz QUFBNGMEXYDFKV-YPMHNXCESA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](CO)[N@H+](C)CC[C@H]1CCCN1C ZINC000336673724 386306257 /nfs/dbraw/zinc/30/62/57/386306257.db2.gz PMIRZJMBOQDMHI-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](CO)[N@@H+](C)CC[C@H]1CCCN1C ZINC000336673724 386306262 /nfs/dbraw/zinc/30/62/62/386306262.db2.gz PMIRZJMBOQDMHI-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCCN1 ZINC000180897188 386306423 /nfs/dbraw/zinc/30/64/23/386306423.db2.gz CSBDGWHPHDGWQA-YPMHNXCESA-N 1 3 239.363 0.634 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430629166 386313673 /nfs/dbraw/zinc/31/36/73/386313673.db2.gz OGJPAKHRWYYCSS-MNOVXSKESA-N 1 3 241.379 0.864 20 0 BCADHO CC[NH2+]CCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417538671 386316244 /nfs/dbraw/zinc/31/62/44/386316244.db2.gz DPJBNLPMCOUEEG-SNVBAGLBSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336671417 386318250 /nfs/dbraw/zinc/31/82/50/386318250.db2.gz KBIOGNCIAWRGCK-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO C[C@@H](O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336671417 386318252 /nfs/dbraw/zinc/31/82/52/386318252.db2.gz KBIOGNCIAWRGCK-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO C[C@@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C1CC1 ZINC000417549306 386341817 /nfs/dbraw/zinc/34/18/17/386341817.db2.gz JNQRKRQKLMDBAL-VIFPVBQESA-N 1 3 242.367 0.506 20 0 BCADHO CNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277542 386342940 /nfs/dbraw/zinc/34/29/40/386342940.db2.gz JAUGWHOKVLWTTE-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])N(C)C1CC1 ZINC000417547560 386347972 /nfs/dbraw/zinc/34/79/72/386347972.db2.gz HAXAFPLWDQPYNZ-VHSXEESVSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@H](CNC(=O)N[C@@H](C)C[NH3+])N(C)C1CC1 ZINC000417552220 386355441 /nfs/dbraw/zinc/35/54/41/386355441.db2.gz QCOKGDODENEEMZ-DTWKUNHWSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417552221 386355810 /nfs/dbraw/zinc/35/58/10/386355810.db2.gz QCOKGDODENEEMZ-IUCAKERBSA-N 1 3 228.340 0.116 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417552510 386358682 /nfs/dbraw/zinc/35/86/82/386358682.db2.gz RLORQQOLYMAAOS-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417552508 386359675 /nfs/dbraw/zinc/35/96/75/386359675.db2.gz RLORQQOLYMAAOS-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347375095 386371323 /nfs/dbraw/zinc/37/13/23/386371323.db2.gz SPEAVMQJCKTBCH-GRYCIOLGSA-N 1 3 239.363 0.809 20 0 BCADHO C[NH2+]CCCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417556170 386380153 /nfs/dbraw/zinc/38/01/53/386380153.db2.gz ZZSZIEHTRNQJSB-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)NCC[NH3+] ZINC000417043676 386438287 /nfs/dbraw/zinc/43/82/87/386438287.db2.gz XLSXBALKLNQTQV-SNVBAGLBSA-N 1 3 228.340 0.119 20 0 BCADHO CCN(C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCNC1=O ZINC000414767269 386440978 /nfs/dbraw/zinc/44/09/78/386440978.db2.gz SIAHNQMEDGSPOE-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](NCCOCC[NH3+])c1ccccn1 ZINC000647992097 386441452 /nfs/dbraw/zinc/44/14/52/386441452.db2.gz FJKMGDKPIYNLBC-SNVBAGLBSA-N 1 3 209.293 0.708 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237610905 386396588 /nfs/dbraw/zinc/39/65/88/386396588.db2.gz ZZGFADAISFQVRE-ZYHUDNBSSA-N 1 3 235.331 0.882 20 0 BCADHO CCCCN(C)CCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417612689 386451446 /nfs/dbraw/zinc/45/14/46/386451446.db2.gz RNYIQQSAPIEWNL-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO [NH3+]CCOCCN1CCN(C2CCCC2)CC1 ZINC000093232465 386405028 /nfs/dbraw/zinc/40/50/28/386405028.db2.gz MCBDZIRFJIBOSY-UHFFFAOYSA-N 1 3 241.379 0.522 20 0 BCADHO COC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426411 386420821 /nfs/dbraw/zinc/42/08/21/386420821.db2.gz LORLQAZYWFVHDG-QWHCGFSZSA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426411 386420823 /nfs/dbraw/zinc/42/08/23/386420823.db2.gz LORLQAZYWFVHDG-QWHCGFSZSA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134479105 386422179 /nfs/dbraw/zinc/42/21/79/386422179.db2.gz UYNJWPJEFFLTPT-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[N@H+](CCO)C1CCN(C[C@H]2CCOC2)CC1 ZINC000336712911 386428859 /nfs/dbraw/zinc/42/88/59/386428859.db2.gz RYJWWSARINWKTN-GFCCVEGCSA-N 1 3 242.363 0.411 20 0 BCADHO C[N@@H+](CCO)C1CCN(C[C@H]2CCOC2)CC1 ZINC000336712911 386428864 /nfs/dbraw/zinc/42/88/64/386428864.db2.gz RYJWWSARINWKTN-GFCCVEGCSA-N 1 3 242.363 0.411 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000211701295 386430399 /nfs/dbraw/zinc/43/03/99/386430399.db2.gz AWKZFUDBIYSRKO-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)NCCN(C)C1CC1 ZINC000417628611 386467960 /nfs/dbraw/zinc/46/79/60/386467960.db2.gz RBBPTBOLSWVYTG-SNVBAGLBSA-N 1 3 242.367 0.378 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000061644907 386476789 /nfs/dbraw/zinc/47/67/89/386476789.db2.gz INIYIAODUASGGM-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000417632820 386479646 /nfs/dbraw/zinc/47/96/46/386479646.db2.gz XIWYZYKOGBENLU-IUCAKERBSA-N 1 3 228.340 0.116 20 0 BCADHO CC[C@H]1CN(CCC(=O)N(C)CC)CC[C@H]1[NH3+] ZINC000647934788 386480494 /nfs/dbraw/zinc/48/04/94/386480494.db2.gz QGNFYFJERRLDCQ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000335431459 386489434 /nfs/dbraw/zinc/48/94/34/386489434.db2.gz WNGOQHRPAWNUGK-MFKMUULPSA-N 1 3 247.342 0.666 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCNC(C)(C)C1 ZINC000335433709 386491288 /nfs/dbraw/zinc/49/12/88/386491288.db2.gz AHXSVWGNBAIKBG-IUCAKERBSA-N 1 3 228.340 0.116 20 0 BCADHO NC1(C(=O)N2CCC3(CC[NH2+]C3)CC2)CCC1 ZINC000335434141 386491345 /nfs/dbraw/zinc/49/13/45/386491345.db2.gz MIJPIDRIHXGVHX-UHFFFAOYSA-N 1 3 237.347 0.470 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000519601096 386505924 /nfs/dbraw/zinc/50/59/24/386505924.db2.gz NGWZIHYIMRLKFZ-TUAOUCFPSA-N 1 3 237.347 0.324 20 0 BCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)CNC1CC1 ZINC000519634761 386511388 /nfs/dbraw/zinc/51/13/88/386511388.db2.gz MHXQOSAZMRAFES-LLVKDONJSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335446808 386512546 /nfs/dbraw/zinc/51/25/46/386512546.db2.gz SSCRAJNXHXRODN-QWRGUYRKSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)([NH3+])CN[C@H]1CNCCC1(F)F ZINC000335448818 386517725 /nfs/dbraw/zinc/51/77/25/386517725.db2.gz UURAYWBURKFRIM-ZETCQYMHSA-N 1 3 207.268 0.311 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCO[C@@H]21 ZINC000415037287 386525236 /nfs/dbraw/zinc/52/52/36/386525236.db2.gz MVAGDSPGYVONFW-UFFGRJIKSA-N 1 3 222.332 0.607 20 0 BCADHO C1CC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@H]12 ZINC000415040683 386526148 /nfs/dbraw/zinc/52/61/48/386526148.db2.gz QPIDGNBEBHVDEQ-LSUSWQKBSA-N 1 3 234.343 0.751 20 0 BCADHO CCN(C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062861116 386528024 /nfs/dbraw/zinc/52/80/24/386528024.db2.gz PKDXVFMOQOOSDQ-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380458 386455835 /nfs/dbraw/zinc/45/58/35/386455835.db2.gz ARFQBLDTNXMOJA-MNOVXSKESA-N 1 3 245.367 0.054 20 0 BCADHO NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977841 386578124 /nfs/dbraw/zinc/57/81/24/386578124.db2.gz IUQAGSBWMFXDOP-MNOVXSKESA-N 1 3 225.336 0.183 20 0 BCADHO CNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978305 386594154 /nfs/dbraw/zinc/59/41/54/386594154.db2.gz PRECWGIKYQKSBE-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973336 386534095 /nfs/dbraw/zinc/53/40/95/386534095.db2.gz FPSSOXBMARVRQN-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971982 386535154 /nfs/dbraw/zinc/53/51/54/386535154.db2.gz YABOFKWGGPVFSE-UWVGGRQHSA-N 1 3 245.392 0.229 20 0 BCADHO C[C@@H](CC1CCOCC1)CN(C)C[C@H](O)C[NH3+] ZINC000415068848 386552849 /nfs/dbraw/zinc/55/28/49/386552849.db2.gz NRBKAAFHHPFSCQ-WCQYABFASA-N 1 3 244.379 0.691 20 0 BCADHO C[C@@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196297 386553280 /nfs/dbraw/zinc/55/32/80/386553280.db2.gz CUWGHFYGJHTBAT-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196297 386553281 /nfs/dbraw/zinc/55/32/81/386553281.db2.gz CUWGHFYGJHTBAT-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H]([NH3+])CN1CCc2ccccc2[C@H]1CN ZINC000335405054 386560511 /nfs/dbraw/zinc/56/05/11/386560511.db2.gz CATRXFYHMXUVQE-GXFFZTMASA-N 1 3 219.332 0.892 20 0 BCADHO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCCCNC1 ZINC000415071719 386562151 /nfs/dbraw/zinc/56/21/51/386562151.db2.gz UJQPGRBXPIJPSR-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000335409907 386570951 /nfs/dbraw/zinc/57/09/51/386570951.db2.gz QXTONCVAHVEWNB-NWDGAFQWSA-N 1 3 237.347 0.245 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000335409907 386570958 /nfs/dbraw/zinc/57/09/58/386570958.db2.gz QXTONCVAHVEWNB-NWDGAFQWSA-N 1 3 237.347 0.245 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CNCCC1(F)F)[C@H](C)[NH3+] ZINC000520228408 386608912 /nfs/dbraw/zinc/60/89/12/386608912.db2.gz JTOPDQWOQYBGMN-GJMOJQLCSA-N 1 3 235.278 0.083 20 0 BCADHO NC1(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000520231967 386610689 /nfs/dbraw/zinc/61/06/89/386610689.db2.gz LXWIMHVMXNFOEJ-UHFFFAOYSA-N 1 3 237.347 0.468 20 0 BCADHO C[NH2+]CCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000428122907 386663553 /nfs/dbraw/zinc/66/35/53/386663553.db2.gz DBEQHMQBWZQDAE-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCC1([NH3+])CCCCC1 ZINC000520404805 386666904 /nfs/dbraw/zinc/66/69/04/386666904.db2.gz TWMYADIZWXBUKK-QMMMGPOBSA-N 1 3 249.305 0.747 20 0 BCADHO C[C@@]1(F)CNCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000335481937 386709000 /nfs/dbraw/zinc/70/90/00/386709000.db2.gz XYHWMNZEYHNVRM-NWDGAFQWSA-N 1 3 229.343 0.619 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471060 386692148 /nfs/dbraw/zinc/69/21/48/386692148.db2.gz BNEHBUZQAHTYEZ-JQWIXIFHSA-N 1 3 237.347 0.410 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2(N)CCC2)CC1 ZINC000335478606 386705482 /nfs/dbraw/zinc/70/54/82/386705482.db2.gz ILUQILZXKBNRAY-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO [NH3+]CCOCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000357105872 386718034 /nfs/dbraw/zinc/71/80/34/386718034.db2.gz ODVKJVCTHQCXLN-NSHDSACASA-N 1 3 238.335 0.564 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000417786323 386720843 /nfs/dbraw/zinc/72/08/43/386720843.db2.gz QVKDUXQVPAAYFR-OUAUKWLOSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417785966 386720899 /nfs/dbraw/zinc/72/08/99/386720899.db2.gz QIJWFWWQWJCWME-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CN(CCCNCc1cc[nH]n1)CC[NH+](C)C ZINC000623087964 386722778 /nfs/dbraw/zinc/72/27/78/386722778.db2.gz QRKDNXBHTJAVTE-UHFFFAOYSA-N 1 3 239.367 0.383 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417800893 386762983 /nfs/dbraw/zinc/76/29/83/386762983.db2.gz TXMHPXRZOCGYFH-DCAQKATOSA-N 1 3 227.352 0.346 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811263 386790421 /nfs/dbraw/zinc/79/04/21/386790421.db2.gz JJRMIORAVYCJPL-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417810885 386790995 /nfs/dbraw/zinc/79/09/95/386790995.db2.gz IZQUPTVJIHVSSF-RHYQMDGZSA-N 1 3 239.363 0.570 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417831668 386793134 /nfs/dbraw/zinc/79/31/34/386793134.db2.gz IFDVUPHNUFNRPP-LPEHRKFASA-N 1 3 213.325 0.452 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488068 386777903 /nfs/dbraw/zinc/77/79/03/386777903.db2.gz QCAKRCUKYMGVKX-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C[C@H]1C[NH3+] ZINC000417837321 386796439 /nfs/dbraw/zinc/79/64/39/386796439.db2.gz MDZDPBHWZUCWTH-HBNTYKKESA-N 1 3 241.379 0.803 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417827550 386784086 /nfs/dbraw/zinc/78/40/86/386784086.db2.gz DIXBHSGDUPGZLB-RAIGVLPGSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000417810496 386789361 /nfs/dbraw/zinc/78/93/61/386789361.db2.gz INLIHNXYXHVFOI-VHSXEESVSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000334760301 386819651 /nfs/dbraw/zinc/81/96/51/386819651.db2.gz QOXXRKKJOSEZJQ-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000334760301 386819656 /nfs/dbraw/zinc/81/96/56/386819656.db2.gz QOXXRKKJOSEZJQ-MNOVXSKESA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000334760300 386820048 /nfs/dbraw/zinc/82/00/48/386820048.db2.gz QOXXRKKJOSEZJQ-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000334760300 386820053 /nfs/dbraw/zinc/82/00/53/386820053.db2.gz QOXXRKKJOSEZJQ-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417837160 386797913 /nfs/dbraw/zinc/79/79/13/386797913.db2.gz XLYANVNXFKMXNN-MXWKQRLJSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000417852286 386802676 /nfs/dbraw/zinc/80/26/76/386802676.db2.gz NYIFQBVVTPANSU-HRDYMLBCSA-N 1 3 249.305 0.473 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@@]1(C)C[NH3+] ZINC000417851848 386802865 /nfs/dbraw/zinc/80/28/65/386802865.db2.gz YQVHYROPROIZNZ-NQBHXWOUSA-N 1 3 239.363 0.572 20 0 BCADHO CC[NH2+]CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000417996243 386804763 /nfs/dbraw/zinc/80/47/63/386804763.db2.gz DRMRMYSUFVAWLO-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1C[C@H](C)CCN1)[C@H](C)[NH3+] ZINC000417857625 386804739 /nfs/dbraw/zinc/80/47/39/386804739.db2.gz UEJLKGVUHLLZJJ-RGOKHQFPSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000417859256 386805747 /nfs/dbraw/zinc/80/57/47/386805747.db2.gz VXPASFQRDMKGIO-LPEHRKFASA-N 1 3 227.352 0.617 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC000192988528 386807387 /nfs/dbraw/zinc/80/73/87/386807387.db2.gz JBYBXOCSRLLDNZ-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC000192988528 386807391 /nfs/dbraw/zinc/80/73/91/386807391.db2.gz JBYBXOCSRLLDNZ-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417849939 386807856 /nfs/dbraw/zinc/80/78/56/386807856.db2.gz WVQOYZMUBYLSIT-YFKTTZPYSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000417994915 386812655 /nfs/dbraw/zinc/81/26/55/386812655.db2.gz CQPGRWNOMIFMQQ-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1[C@H](NC(=O)NCCC[NH3+])CCCN1C ZINC000418004221 386847812 /nfs/dbraw/zinc/84/78/12/386847812.db2.gz NXLOJYNCPFRLIR-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418005063 386855239 /nfs/dbraw/zinc/85/52/39/386855239.db2.gz OYYAFTFSVZBKEY-OUAUKWLOSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418006201 386863638 /nfs/dbraw/zinc/86/36/38/386863638.db2.gz PXYYWBVIHAAXGS-HBNTYKKESA-N 1 3 242.367 0.458 20 0 BCADHO C[C@H](CC(N)=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336744577 386867101 /nfs/dbraw/zinc/86/71/01/386867101.db2.gz QGCNOMIIBLSEFB-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CC(N)=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336744577 386867104 /nfs/dbraw/zinc/86/71/04/386867104.db2.gz QGCNOMIIBLSEFB-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]CCCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418009985 386885173 /nfs/dbraw/zinc/88/51/73/386885173.db2.gz VDWDIVQXIIPOAZ-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]CCCNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418009992 386885324 /nfs/dbraw/zinc/88/53/24/386885324.db2.gz VDWDIVQXIIPOAZ-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N(C)CC[NH3+])CCCN1C ZINC000418009645 386885337 /nfs/dbraw/zinc/88/53/37/386885337.db2.gz UYIWQYBNIRAZBR-NXEZZACHSA-N 1 3 228.340 0.069 20 0 BCADHO FC1(F)CCNC[C@H]1NC[C@@H]1CCC[NH2+]C1 ZINC000334844026 386890487 /nfs/dbraw/zinc/89/04/87/386890487.db2.gz BURSQSGVYIIHMJ-NXEZZACHSA-N 1 3 233.306 0.573 20 0 BCADHO C([NH2+][C@@H]1CCCSC1)[C@H]1CNCCCO1 ZINC000334873975 386934150 /nfs/dbraw/zinc/93/41/50/386934150.db2.gz MFEYPMOCYDHOFW-GHMZBOCLSA-N 1 3 230.377 0.850 20 0 BCADHO CN(C)CCOCC[NH2+]CC1(O)CCC1 ZINC000582176157 386937958 /nfs/dbraw/zinc/93/79/58/386937958.db2.gz FFZBANSDHMJATA-UHFFFAOYSA-N 1 3 216.325 0.069 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@]1(F)CCNC1 ZINC000368453512 386972929 /nfs/dbraw/zinc/97/29/29/386972929.db2.gz KPUSQIHRWAEXBN-GXSJLCMTSA-N 1 3 231.315 0.144 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000368451898 386974618 /nfs/dbraw/zinc/97/46/18/386974618.db2.gz VVCWVGDGKQDSRZ-NHCYSSNCSA-N 1 3 243.326 0.416 20 0 BCADHO C[C@H](C[NH2+][C@@H](C)CC(N)=O)CN1CCCCC1 ZINC000341888825 386983786 /nfs/dbraw/zinc/98/37/86/386983786.db2.gz NGXAERZNAXLGEZ-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CN[C@@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC000341888825 386983791 /nfs/dbraw/zinc/98/37/91/386983791.db2.gz NGXAERZNAXLGEZ-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000341906116 386987505 /nfs/dbraw/zinc/98/75/05/386987505.db2.gz WTKKQLKHCXIXRH-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)CC(N)=O)C1 ZINC000341906116 386987511 /nfs/dbraw/zinc/98/75/11/386987511.db2.gz WTKKQLKHCXIXRH-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)CC(N)=O)C1 ZINC000341906116 386987516 /nfs/dbraw/zinc/98/75/16/386987516.db2.gz WTKKQLKHCXIXRH-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CN[C@@H](C)CC(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906922 386987779 /nfs/dbraw/zinc/98/77/79/386987779.db2.gz YNZAJBZKKVJUKA-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CN[C@@H](C)CC(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000341906922 386987787 /nfs/dbraw/zinc/98/77/87/386987787.db2.gz YNZAJBZKKVJUKA-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426055 386996693 /nfs/dbraw/zinc/99/66/93/386996693.db2.gz XJJHSXQKIOSLCX-WDEREUQCSA-N 1 3 225.336 0.372 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000334920898 386997076 /nfs/dbraw/zinc/99/70/76/386997076.db2.gz BOFFHYPHPRCRNU-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000334932755 387008670 /nfs/dbraw/zinc/00/86/70/387008670.db2.gz WXOHPSCISDDPAU-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368648966 387000390 /nfs/dbraw/zinc/00/03/90/387000390.db2.gz YWWYPDLQLVPNFT-UWVGGRQHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]([NH3+])C1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000104444677 387005169 /nfs/dbraw/zinc/00/51/69/387005169.db2.gz YAZJZORKRNRJDS-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO COC(=O)CCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000116402433 386949505 /nfs/dbraw/zinc/94/95/05/386949505.db2.gz MVRJBRPVGLGUBL-NSHDSACASA-N 1 3 228.336 0.823 20 0 BCADHO COC(=O)CCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000116402433 386949508 /nfs/dbraw/zinc/94/95/08/386949508.db2.gz MVRJBRPVGLGUBL-NSHDSACASA-N 1 3 228.336 0.823 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C)CC[C@H]1C ZINC000334953651 387030066 /nfs/dbraw/zinc/03/00/66/387030066.db2.gz SNSRZQIKVRHTDA-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000398997403 387037013 /nfs/dbraw/zinc/03/70/13/387037013.db2.gz ATLMNCJNGOLPSY-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000398997403 387037018 /nfs/dbraw/zinc/03/70/18/387037018.db2.gz ATLMNCJNGOLPSY-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C1CCC1)[N@H+](C)C1CC1 ZINC000398996791 387038043 /nfs/dbraw/zinc/03/80/43/387038043.db2.gz PXYWFGSBMVYGOP-CABZTGNLSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C1CCC1)[N@@H+](C)C1CC1 ZINC000398996791 387038048 /nfs/dbraw/zinc/03/80/48/387038048.db2.gz PXYWFGSBMVYGOP-CABZTGNLSA-N 1 3 239.363 0.713 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C1CCC1 ZINC000399002979 387039722 /nfs/dbraw/zinc/03/97/22/387039722.db2.gz UNPCSBYJPIQQGV-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](N)C1CCC1 ZINC000399002979 387039727 /nfs/dbraw/zinc/03/97/27/387039727.db2.gz UNPCSBYJPIQQGV-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCN(C(=O)C2(N)CCCC2)C[C@H]1C[NH3+] ZINC000334962200 387042517 /nfs/dbraw/zinc/04/25/17/387042517.db2.gz RIVYRQNRAKFRDU-WDEREUQCSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@H]1CCN(C(=O)C2(N)CCCC2)C[C@@H]1C[NH3+] ZINC000334962199 387042832 /nfs/dbraw/zinc/04/28/32/387042832.db2.gz RIVYRQNRAKFRDU-QWRGUYRKSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@H](C(=O)NC1CC1)N1CCC[C@H](CC[NH3+])C1 ZINC000070074252 387042916 /nfs/dbraw/zinc/04/29/16/387042916.db2.gz QLLQRKGMXHVZMR-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])CN1CCNC[C@@H]1c1ccccc1 ZINC000334966918 387048237 /nfs/dbraw/zinc/04/82/37/387048237.db2.gz HGMQSSXRDRGWDT-DGCLKSJQSA-N 1 3 219.332 0.980 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000648107799 387050509 /nfs/dbraw/zinc/05/05/09/387050509.db2.gz PSEYPGBKYJDIRI-UWVGGRQHSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000648107966 387052089 /nfs/dbraw/zinc/05/20/89/387052089.db2.gz HTJMBUZECWCALG-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C)CN1 ZINC000648108057 387052619 /nfs/dbraw/zinc/05/26/19/387052619.db2.gz VYBBBKBUORWPAM-KXUCPTDWSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1NCCN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000333810377 387056681 /nfs/dbraw/zinc/05/66/81/387056681.db2.gz JDQJEGYGZHZDOA-GARJFASQSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H](CN)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000161999267 387059591 /nfs/dbraw/zinc/05/95/91/387059591.db2.gz TXJNUOVOUWKPJA-SECBINFHSA-N 1 3 222.288 0.895 20 0 BCADHO C[C@H](CN1CCOCC1)NCC1([NH3+])CCC1 ZINC000519156689 387020426 /nfs/dbraw/zinc/02/04/26/387020426.db2.gz DZEWFBYEHNPNLU-LLVKDONJSA-N 1 3 227.352 0.178 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943915 387021558 /nfs/dbraw/zinc/02/15/58/387021558.db2.gz KTAHNFKHGHSBIW-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000519161763 387025944 /nfs/dbraw/zinc/02/59/44/387025944.db2.gz NARNVMNLDYRKFM-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO COCCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766336 387070871 /nfs/dbraw/zinc/07/08/71/387070871.db2.gz MNSXCAKJBUWYJG-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO C[NH+](C)C1(CNC(=O)CN)CCCCC1 ZINC000040432176 387072987 /nfs/dbraw/zinc/07/29/87/387072987.db2.gz SPEWYQHYVGVJNY-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCN1C ZINC000333896284 387073130 /nfs/dbraw/zinc/07/31/30/387073130.db2.gz ASKIWIWAMNDSIQ-DCAQKATOSA-N 1 3 240.351 0.212 20 0 BCADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CNCCO2)c2ccccc21 ZINC000333890625 387073652 /nfs/dbraw/zinc/07/36/52/387073652.db2.gz YDBNKPLEJUWKTN-HONMWMINSA-N 1 3 247.342 0.709 20 0 BCADHO CCN(C)CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000369964895 387078698 /nfs/dbraw/zinc/07/86/98/387078698.db2.gz VVNWMBNXRMAGGV-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CCN(C)CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000369964894 387080029 /nfs/dbraw/zinc/08/00/29/387080029.db2.gz VVNWMBNXRMAGGV-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000228329714 387081290 /nfs/dbraw/zinc/08/12/90/387081290.db2.gz SVFVKHKJNNADDZ-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000228329714 387081294 /nfs/dbraw/zinc/08/12/94/387081294.db2.gz SVFVKHKJNNADDZ-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO C[N@H+](CCNC(=O)C(C)(C)N)C1CCCC1 ZINC000070946069 387086081 /nfs/dbraw/zinc/08/60/81/387086081.db2.gz SQCLRMMTWYDJED-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[N@@H+](CCNC(=O)C(C)(C)N)C1CCCC1 ZINC000070946069 387086085 /nfs/dbraw/zinc/08/60/85/387086085.db2.gz SQCLRMMTWYDJED-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359426949 387099444 /nfs/dbraw/zinc/09/94/44/387099444.db2.gz FLFZJIXDWIBXMR-RYUDHWBXSA-N 1 3 237.347 0.006 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC(C)(C)CC[NH3+])C1 ZINC000643437409 387122266 /nfs/dbraw/zinc/12/22/66/387122266.db2.gz UBBFFAAWYQNHLJ-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250568511 387124094 /nfs/dbraw/zinc/12/40/94/387124094.db2.gz HFNDKUBMEPMVOU-WOPDTQHZSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250568511 387124103 /nfs/dbraw/zinc/12/41/03/387124103.db2.gz HFNDKUBMEPMVOU-WOPDTQHZSA-N 1 3 239.363 0.713 20 0 BCADHO C1CC1[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CNCCO1 ZINC000423308447 387143835 /nfs/dbraw/zinc/14/38/35/387143835.db2.gz XZGRVBPTJHVQJQ-RWMBFGLXSA-N 1 3 239.363 0.095 20 0 BCADHO CC[C@@H](NCC1C[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423309016 387145130 /nfs/dbraw/zinc/14/51/30/387145130.db2.gz YMJDTVXPTAGRQZ-LLVKDONJSA-N 1 3 240.347 0.917 20 0 BCADHO CC[C@@H]([NH2+]CC1CNC1)C1(C(=O)OC)CCC1 ZINC000423309016 387145133 /nfs/dbraw/zinc/14/51/33/387145133.db2.gz YMJDTVXPTAGRQZ-LLVKDONJSA-N 1 3 240.347 0.917 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000336320887 387149762 /nfs/dbraw/zinc/14/97/62/387149762.db2.gz YWUPVKRHRNKBGU-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO COc1ccc(C[C@@H](C)N[C@H](C)C[NH3+])cn1 ZINC000423315614 387157294 /nfs/dbraw/zinc/15/72/94/387157294.db2.gz AAZHUWKHSZOZFA-NXEZZACHSA-N 1 3 223.320 0.958 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)C2(C)C[NH2+]C2)C1 ZINC000423321960 387163773 /nfs/dbraw/zinc/16/37/73/387163773.db2.gz GRAGCBBXDFVIJB-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(N)CCC1 ZINC000423324522 387167227 /nfs/dbraw/zinc/16/72/27/387167227.db2.gz KIYCPWSMTHYOEP-PWSUYJOCSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCC1([NH3+])CCC1 ZINC000423324522 387167234 /nfs/dbraw/zinc/16/72/34/387167234.db2.gz KIYCPWSMTHYOEP-PWSUYJOCSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(N)CCC1 ZINC000423324521 387168223 /nfs/dbraw/zinc/16/82/23/387168223.db2.gz KIYCPWSMTHYOEP-JQWIXIFHSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NCC1([NH3+])CCC1 ZINC000423324521 387168231 /nfs/dbraw/zinc/16/82/31/387168231.db2.gz KIYCPWSMTHYOEP-JQWIXIFHSA-N 1 3 223.364 0.940 20 0 BCADHO COC[C@@H](NC[C@H]([NH3+])C1CC1)C(C)C ZINC000423330847 387175540 /nfs/dbraw/zinc/17/55/40/387175540.db2.gz UHJMHMIQMJZRDH-WDEREUQCSA-N 1 3 200.326 0.984 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371261765 387182693 /nfs/dbraw/zinc/18/26/93/387182693.db2.gz CRMCSGUUJVWIQA-HBNTYKKESA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371261765 387182697 /nfs/dbraw/zinc/18/26/97/387182697.db2.gz CRMCSGUUJVWIQA-HBNTYKKESA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261767 387184071 /nfs/dbraw/zinc/18/40/71/387184071.db2.gz CRMCSGUUJVWIQA-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371261767 387184075 /nfs/dbraw/zinc/18/40/75/387184075.db2.gz CRMCSGUUJVWIQA-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CNC3CC3)C[C@@H]21 ZINC000571873583 387184277 /nfs/dbraw/zinc/18/42/77/387184277.db2.gz UVQLPCOOCOBHIO-ZMLRMANQSA-N 1 3 237.347 0.324 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062972974 387190162 /nfs/dbraw/zinc/19/01/62/387190162.db2.gz KDFASUJCULFYBX-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972441 387190544 /nfs/dbraw/zinc/19/05/44/387190544.db2.gz YYUFRSWATSGNFV-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CCN1C[C@H]([NH2+]CC2(N)CCC2)[C@@H](C)C1 ZINC000423343142 387191902 /nfs/dbraw/zinc/19/19/02/387191902.db2.gz ZGGVVLOOXYHLQN-QWRGUYRKSA-N 1 3 211.353 0.798 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000186805628 387140995 /nfs/dbraw/zinc/14/09/95/387140995.db2.gz YZAFMBYKOWIVKU-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CNCC[C@@H]1C ZINC000423357131 387207408 /nfs/dbraw/zinc/20/74/08/387207408.db2.gz HUJDKORRHKQFJS-UMSGYPCISA-N 1 3 241.379 0.341 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423357131 387207414 /nfs/dbraw/zinc/20/74/14/387207414.db2.gz HUJDKORRHKQFJS-UMSGYPCISA-N 1 3 241.379 0.341 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)NCC[C@H]1CCC[NH2+]1 ZINC000423356501 387208720 /nfs/dbraw/zinc/20/87/20/387208720.db2.gz JZYUGLTXBUFMIG-YNEHKIRRSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418203370 387218000 /nfs/dbraw/zinc/21/80/00/387218000.db2.gz KHDNNBCWRKBOHK-DCAQKATOSA-N 1 3 242.367 0.234 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)CC ZINC000353513204 387219905 /nfs/dbraw/zinc/21/99/05/387219905.db2.gz KRIJDTBLTZJGFI-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000423404788 387241957 /nfs/dbraw/zinc/24/19/57/387241957.db2.gz XRSVRECOZNKURN-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000423404788 387241962 /nfs/dbraw/zinc/24/19/62/387241962.db2.gz XRSVRECOZNKURN-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000423406270 387243800 /nfs/dbraw/zinc/24/38/00/387243800.db2.gz UOEQPXOWUKXKGO-MMWGEVLESA-N 1 3 200.326 0.997 20 0 BCADHO CO[C@H](C)[C@H](C)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423406270 387243801 /nfs/dbraw/zinc/24/38/01/387243801.db2.gz UOEQPXOWUKXKGO-MMWGEVLESA-N 1 3 200.326 0.997 20 0 BCADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000352482455 387249110 /nfs/dbraw/zinc/24/91/10/387249110.db2.gz UFPIYZJMMQENAE-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](CNC(=O)C12CCCN1CCC2)[NH+](C)C ZINC000352482455 387249113 /nfs/dbraw/zinc/24/91/13/387249113.db2.gz UFPIYZJMMQENAE-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO COCC[C@@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428015 387252312 /nfs/dbraw/zinc/25/23/12/387252312.db2.gz IVHIEWAJPITYDJ-KIJLLGNVSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188185993 387257572 /nfs/dbraw/zinc/25/75/72/387257572.db2.gz WGVUUHQKFQPAIC-XWLWVQCSSA-N 1 3 243.326 0.272 20 0 BCADHO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)C1CCN(C)CC1 ZINC000648110282 387260141 /nfs/dbraw/zinc/26/01/41/387260141.db2.gz MHZZGGIEBUYLOW-JLLWLGSASA-N 1 3 237.347 0.289 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000645684862 387269813 /nfs/dbraw/zinc/26/98/13/387269813.db2.gz JSOMRTBYEPSAAP-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000372119029 387273571 /nfs/dbraw/zinc/27/35/71/387273571.db2.gz UFAJKKKWVWSGSJ-VXGBXAGGSA-N 1 3 245.342 0.568 20 0 BCADHO CC[NH2+][C@H](C)CN[C@@H]1CN(CC)C[C@@H]1C ZINC000423393108 387277984 /nfs/dbraw/zinc/27/79/84/387277984.db2.gz YKHMKAONZRRYIN-QJPTWQEYSA-N 1 3 213.369 0.914 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)N[C@@H](C)C[NH3+] ZINC000423393947 387279205 /nfs/dbraw/zinc/27/92/05/387279205.db2.gz MMZKQGFCDHYBNR-WDEREUQCSA-N 1 3 210.325 0.845 20 0 BCADHO CC[NH2+]CCCN[C@H](C)Cn1cccn1 ZINC000643499073 387284300 /nfs/dbraw/zinc/28/43/00/387284300.db2.gz QOQOUEKBZHLVPO-LLVKDONJSA-N 1 3 210.325 0.861 20 0 BCADHO COC[C@]1(CN[C@H]2CN(C)C[C@H]2C)CCC[NH2+]1 ZINC000423439188 387288321 /nfs/dbraw/zinc/28/83/21/387288321.db2.gz VIUZVQNTCSIUOP-FRRDWIJNSA-N 1 3 241.379 0.295 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423438098 387288902 /nfs/dbraw/zinc/28/89/02/387288902.db2.gz GTKOIQLCEFAWHK-VPOLOUISSA-N 1 3 211.353 0.937 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423438098 387288904 /nfs/dbraw/zinc/28/89/04/387288904.db2.gz GTKOIQLCEFAWHK-VPOLOUISSA-N 1 3 211.353 0.937 20 0 BCADHO COC[C@]1(CN[C@H]2CN(C)C[C@@H]2C)CCC[NH2+]1 ZINC000423439195 387289025 /nfs/dbraw/zinc/28/90/25/387289025.db2.gz VIUZVQNTCSIUOP-RWMBFGLXSA-N 1 3 241.379 0.295 20 0 BCADHO CC[C@H](N)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423441201 387290137 /nfs/dbraw/zinc/29/01/37/387290137.db2.gz AZVSATVIWNAVTD-VWYCJHECSA-N 1 3 211.353 0.939 20 0 BCADHO CC[C@H]([NH3+])CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423441201 387290143 /nfs/dbraw/zinc/29/01/43/387290143.db2.gz AZVSATVIWNAVTD-VWYCJHECSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423448550 387297388 /nfs/dbraw/zinc/29/73/88/387297388.db2.gz QKMPTDQMMJPGNE-GMOBBJLQSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423448550 387297394 /nfs/dbraw/zinc/29/73/94/387297394.db2.gz QKMPTDQMMJPGNE-GMOBBJLQSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@@H]1C[C@H]1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352544922 387307981 /nfs/dbraw/zinc/30/79/81/387307981.db2.gz DTXXQYWTYBHUDE-AGIUHOORSA-N 1 3 223.364 0.622 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000423533452 387360958 /nfs/dbraw/zinc/36/09/58/387360958.db2.gz TWVCKFWBQAYVFM-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](NC[C@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423543982 387368587 /nfs/dbraw/zinc/36/85/87/387368587.db2.gz CASCHKNQZHBCDB-WOPDTQHZSA-N 1 3 227.352 0.095 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000423548278 387369768 /nfs/dbraw/zinc/36/97/68/387369768.db2.gz MKXHQXKGAVAWHX-GRYCIOLGSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423547940 387370210 /nfs/dbraw/zinc/37/02/10/387370210.db2.gz GHUJEMJDMKZUFD-GRYCIOLGSA-N 1 3 211.353 0.668 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000515351614 387371645 /nfs/dbraw/zinc/37/16/45/387371645.db2.gz MULJHITVIIOFPQ-PWSUYJOCSA-N 1 3 243.351 0.080 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1CCCC[NH2+]C1 ZINC000423553608 387373224 /nfs/dbraw/zinc/37/32/24/387373224.db2.gz KNVFCNGXGWRXET-UPJWGTAASA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCCCNC1 ZINC000423553608 387373226 /nfs/dbraw/zinc/37/32/26/387373226.db2.gz KNVFCNGXGWRXET-UPJWGTAASA-N 1 3 241.379 0.485 20 0 BCADHO C[C@@H](NC[C@H]1CNCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571220 387379175 /nfs/dbraw/zinc/37/91/75/387379175.db2.gz NGSPENQVFLFISB-UTUOFQBUSA-N 1 3 227.352 0.095 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000423601946 387384865 /nfs/dbraw/zinc/38/48/65/387384865.db2.gz HBNRXJPHLVRECX-QJPTWQEYSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373562858 387380743 /nfs/dbraw/zinc/38/07/43/387380743.db2.gz SGDIQZOWZACERJ-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](NC[C@@H]1CNCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571218 387381056 /nfs/dbraw/zinc/38/10/56/387381056.db2.gz NGSPENQVFLFISB-SRVKXCTJSA-N 1 3 227.352 0.095 20 0 BCADHO CC[C@H](N)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000423479935 387326141 /nfs/dbraw/zinc/32/61/41/387326141.db2.gz VQCVKAFCXLSNMC-NHCYSSNCSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000423483813 387329927 /nfs/dbraw/zinc/32/99/27/387329927.db2.gz RRONOWMVPUMXDN-GMTAPVOTSA-N 1 3 247.333 0.913 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000423483813 387329932 /nfs/dbraw/zinc/32/99/32/387329932.db2.gz RRONOWMVPUMXDN-GMTAPVOTSA-N 1 3 247.333 0.913 20 0 BCADHO CC[C@H](NC[C@H]1CNCCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498722 387340016 /nfs/dbraw/zinc/34/00/16/387340016.db2.gz BXBFWCFXCVFDBZ-AGIUHOORSA-N 1 3 240.395 0.010 20 0 BCADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000423781859 387424854 /nfs/dbraw/zinc/42/48/54/387424854.db2.gz YEXLPXRUSVYLCY-QJPTWQEYSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781859 387424858 /nfs/dbraw/zinc/42/48/58/387424858.db2.gz YEXLPXRUSVYLCY-QJPTWQEYSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCN1 ZINC000423781859 387424860 /nfs/dbraw/zinc/42/48/60/387424860.db2.gz YEXLPXRUSVYLCY-QJPTWQEYSA-N 1 3 237.347 0.434 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C1([NH3+])CCCC1 ZINC000423847549 387433348 /nfs/dbraw/zinc/43/33/48/387433348.db2.gz MTPQAHHVWCFGBQ-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423842131 387433621 /nfs/dbraw/zinc/43/36/21/387433621.db2.gz GMEZCGOUEPJXPD-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423842129 387433745 /nfs/dbraw/zinc/43/37/45/387433745.db2.gz GMEZCGOUEPJXPD-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423844576 387434093 /nfs/dbraw/zinc/43/40/93/387434093.db2.gz JDQPQCHMQXOTHW-UWVGGRQHSA-N 1 3 227.352 0.522 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C1(C)C[NH2+]C1 ZINC000423846609 387434864 /nfs/dbraw/zinc/43/48/64/387434864.db2.gz LMWIEVPEIGIGSI-UHFFFAOYSA-N 1 3 225.336 0.149 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000423893733 387445982 /nfs/dbraw/zinc/44/59/82/387445982.db2.gz ATDBXJKZAYBNOQ-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000423893722 387446918 /nfs/dbraw/zinc/44/69/18/387446918.db2.gz ATDBXJKZAYBNOQ-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)N(CC)CC ZINC000423939302 387455991 /nfs/dbraw/zinc/45/59/91/387455991.db2.gz AGWXQTLENBGDOZ-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)N(CC)CC ZINC000423939303 387456242 /nfs/dbraw/zinc/45/62/42/387456242.db2.gz AGWXQTLENBGDOZ-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423956628 387457662 /nfs/dbraw/zinc/45/76/62/387457662.db2.gz OVSGBIDRJAUJMS-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H](C)C[NH3+])N(C)C ZINC000423595030 387385192 /nfs/dbraw/zinc/38/51/92/387385192.db2.gz PACNRPGATIYWPF-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@@]1(CNC(=O)[C@@H]2CCCCN2)CCC[NH2+]C1 ZINC000336560480 387386796 /nfs/dbraw/zinc/38/67/96/387386796.db2.gz PJXFOOVFIBEHFS-WCQYABFASA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656529 387392087 /nfs/dbraw/zinc/39/20/87/387392087.db2.gz XAIJRQSEYNFKMA-WRWGMCAJSA-N 1 3 239.363 0.807 20 0 BCADHO CCC[C@H](C(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000423678519 387395096 /nfs/dbraw/zinc/39/50/96/387395096.db2.gz JCIPCXWCUUVARL-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000373830669 387398258 /nfs/dbraw/zinc/39/82/58/387398258.db2.gz DVVISZXDFYOLTR-JFGNBEQYSA-N 1 3 225.336 0.182 20 0 BCADHO COCCN(CCN(C)C)C(=O)CC[C@@H](C)[NH3+] ZINC000423748441 387409281 /nfs/dbraw/zinc/40/92/81/387409281.db2.gz ULCQMCXHBNFNOE-LLVKDONJSA-N 1 3 245.367 0.150 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CN)OC ZINC000423778049 387421712 /nfs/dbraw/zinc/42/17/12/387421712.db2.gz SLWOIRSXZQKXRJ-WDEREUQCSA-N 1 3 245.367 0.197 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CN)OC ZINC000423778049 387421716 /nfs/dbraw/zinc/42/17/16/387421716.db2.gz SLWOIRSXZQKXRJ-WDEREUQCSA-N 1 3 245.367 0.197 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000355314068 387517695 /nfs/dbraw/zinc/51/76/95/387517695.db2.gz GXDRECCXFNTQMO-NSHDSACASA-N 1 3 227.352 0.348 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CCN(C)C ZINC000516968331 387518119 /nfs/dbraw/zinc/51/81/19/387518119.db2.gz AMBUEHWQUGGPMQ-NXEZZACHSA-N 1 3 230.356 0.315 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981518 387462771 /nfs/dbraw/zinc/46/27/71/387462771.db2.gz XICAELQFNMYBCA-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO C(C[NH2+]C1CC1)N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000643508121 387485044 /nfs/dbraw/zinc/48/50/44/387485044.db2.gz MJDHTYUAOXWVHW-QWHCGFSZSA-N 1 3 239.363 0.095 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000424084520 387485342 /nfs/dbraw/zinc/48/53/42/387485342.db2.gz YPGLKHNCTINNEN-NWDGAFQWSA-N 1 3 237.347 0.324 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428141179 387583507 /nfs/dbraw/zinc/58/35/07/387583507.db2.gz XLHQMSFZUNQTJC-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](N)C1CCC1 ZINC000422536216 387594663 /nfs/dbraw/zinc/59/46/63/387594663.db2.gz DUNOHBUFSSMIEP-NWDGAFQWSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H](C)N1 ZINC000422545934 387596371 /nfs/dbraw/zinc/59/63/71/387596371.db2.gz YDHYEKYQPFFHJB-WCABBAIRSA-N 1 3 225.336 0.323 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000422541427 387596818 /nfs/dbraw/zinc/59/68/18/387596818.db2.gz OFUHMAJZSURALS-WDEREUQCSA-N 1 3 227.352 0.748 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000422541422 387597045 /nfs/dbraw/zinc/59/70/45/387597045.db2.gz OFUHMAJZSURALS-GHMZBOCLSA-N 1 3 227.352 0.748 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)C1CCC1 ZINC000422544040 387597475 /nfs/dbraw/zinc/59/74/75/387597475.db2.gz TYVJNAUEXRUETN-JTQLQIEISA-N 1 3 213.325 0.230 20 0 BCADHO CC1(C)COCCN1CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422716973 387628774 /nfs/dbraw/zinc/62/87/74/387628774.db2.gz VBEWELUKZXXHDK-RYUDHWBXSA-N 1 3 241.379 0.567 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCCC[NH+](C)C ZINC000041679627 387605574 /nfs/dbraw/zinc/60/55/74/387605574.db2.gz GKVRHCVBNMYMPR-GFCCVEGCSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N(C)C[C@H]1CCCN1C ZINC000422614448 387607336 /nfs/dbraw/zinc/60/73/36/387607336.db2.gz YQVCKGUWZKYXKO-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000422610834 387607606 /nfs/dbraw/zinc/60/76/06/387607606.db2.gz QWPONOHWQKLKKO-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CCC[C@H](C(=O)NCCC[NH3+])N(C)C ZINC000422710465 387624205 /nfs/dbraw/zinc/62/42/05/387624205.db2.gz LIEYZYAIPKMFDP-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)C)[C@@H](C)[NH3+] ZINC000399554374 387555135 /nfs/dbraw/zinc/55/51/35/387555135.db2.gz ASSUZFTUXRDIOI-AXFHLTTASA-N 1 3 229.368 0.672 20 0 BCADHO CCN(C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422718185 387630636 /nfs/dbraw/zinc/63/06/36/387630636.db2.gz PGTNJPUUJBFXEP-NWDGAFQWSA-N 1 3 213.369 0.916 20 0 BCADHO CN(C)[C@]1(CNC(=O)CCC[NH3+])CCSC1 ZINC000430687356 387637627 /nfs/dbraw/zinc/63/76/27/387637627.db2.gz QGFYQEGDICRGGF-NSHDSACASA-N 1 3 245.392 0.279 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000422794694 387694990 /nfs/dbraw/zinc/69/49/90/387694990.db2.gz ZIWJXOAGPAQPHH-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C(=O)NCC[N@H+](C)CCOC)N(C)C ZINC000125093675 387644277 /nfs/dbraw/zinc/64/42/77/387644277.db2.gz DMSOCBQREOQBHX-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO CC[C@@H](C(=O)NCC[N@@H+](C)CCOC)N(C)C ZINC000125093675 387644280 /nfs/dbraw/zinc/64/42/80/387644280.db2.gz DMSOCBQREOQBHX-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@@H+]1CCCC[C@@H]1C ZINC000430741800 387646488 /nfs/dbraw/zinc/64/64/88/387646488.db2.gz FAWGICLFOIDAFB-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@H+]1CCCC[C@@H]1C ZINC000430741800 387646493 /nfs/dbraw/zinc/64/64/93/387646493.db2.gz FAWGICLFOIDAFB-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000430742263 387646824 /nfs/dbraw/zinc/64/68/24/387646824.db2.gz LESPMRXLXYXVSP-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000430742263 387646825 /nfs/dbraw/zinc/64/68/25/387646825.db2.gz LESPMRXLXYXVSP-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000430739473 387647770 /nfs/dbraw/zinc/64/77/70/387647770.db2.gz HMZYIDYEKRSSII-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000430739473 387647775 /nfs/dbraw/zinc/64/77/75/387647775.db2.gz HMZYIDYEKRSSII-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424134950 387648277 /nfs/dbraw/zinc/64/82/77/387648277.db2.gz LGTPQDRBWRFVLJ-AGIUHOORSA-N 1 3 247.342 0.753 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422746674 387650674 /nfs/dbraw/zinc/65/06/74/387650674.db2.gz OCJMIRBYSZSWNY-VXGBXAGGSA-N 1 3 239.363 0.762 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422746671 387651094 /nfs/dbraw/zinc/65/10/94/387651094.db2.gz OCJMIRBYSZSWNY-NEPJUHHUSA-N 1 3 239.363 0.762 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CNC)C[C@@H]1C ZINC000430796237 387651133 /nfs/dbraw/zinc/65/11/33/387651133.db2.gz KBFMNTYSUZPYOJ-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CNC)C[C@@H]1C ZINC000430796237 387651137 /nfs/dbraw/zinc/65/11/37/387651137.db2.gz KBFMNTYSUZPYOJ-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000430782387 387651246 /nfs/dbraw/zinc/65/12/46/387651246.db2.gz IKYNDNUDLLEAKS-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000430782387 387651251 /nfs/dbraw/zinc/65/12/51/387651251.db2.gz IKYNDNUDLLEAKS-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)C[C@H]1C ZINC000430795866 387651675 /nfs/dbraw/zinc/65/16/75/387651675.db2.gz IMXCEHWTVWYABR-VWYCJHECSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)C[C@H]1C ZINC000430795866 387651681 /nfs/dbraw/zinc/65/16/81/387651681.db2.gz IMXCEHWTVWYABR-VWYCJHECSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)C[C@@H]1C ZINC000430795859 387652512 /nfs/dbraw/zinc/65/25/12/387652512.db2.gz IMXCEHWTVWYABR-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)C[C@@H]1C ZINC000430795859 387652515 /nfs/dbraw/zinc/65/25/15/387652515.db2.gz IMXCEHWTVWYABR-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO CCN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362763980 387655472 /nfs/dbraw/zinc/65/54/72/387655472.db2.gz XYJJZAALMMCFNI-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC[N@H+](C)CCNC(=O)CC1CCN(C)CC1 ZINC000362763980 387655478 /nfs/dbraw/zinc/65/54/78/387655478.db2.gz XYJJZAALMMCFNI-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CC1CCN(C)CC1 ZINC000362763980 387655481 /nfs/dbraw/zinc/65/54/81/387655481.db2.gz XYJJZAALMMCFNI-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430890636 387658551 /nfs/dbraw/zinc/65/85/51/387658551.db2.gz RHEYCIBDLHKVTP-RYUDHWBXSA-N 1 3 239.363 0.665 20 0 BCADHO CNCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000430893651 387659713 /nfs/dbraw/zinc/65/97/13/387659713.db2.gz JWHOXBOTPWUPJD-PHIMTYICSA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000430893651 387659715 /nfs/dbraw/zinc/65/97/15/387659715.db2.gz JWHOXBOTPWUPJD-PHIMTYICSA-N 1 3 227.352 0.585 20 0 BCADHO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422758162 387661192 /nfs/dbraw/zinc/66/11/92/387661192.db2.gz NPYYBIWORGQOPP-GRYCIOLGSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@H]1C[NH+](CCCN2CCOCC2)C[C@H](C)N1 ZINC000430963432 387665465 /nfs/dbraw/zinc/66/54/65/387665465.db2.gz UYEMMTQCKIDMAA-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000431014719 387671104 /nfs/dbraw/zinc/67/11/04/387671104.db2.gz LDFRRBXYLHEUAT-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424138559 387673148 /nfs/dbraw/zinc/67/31/48/387673148.db2.gz DGCJQGRONRICKW-DBIOUOCHSA-N 1 3 225.336 0.275 20 0 BCADHO C[C@@H](C(N)=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000123330873 387683286 /nfs/dbraw/zinc/68/32/86/387683286.db2.gz JZJHCOOHEDULQO-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO COCCCN(C)CC[NH2+][C@H]1CCC[C@@H]1N ZINC000422785326 387684875 /nfs/dbraw/zinc/68/48/75/387684875.db2.gz QVEOMKTZDYBQKV-RYUDHWBXSA-N 1 3 229.368 0.424 20 0 BCADHO CN(C)CCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000422743138 387691150 /nfs/dbraw/zinc/69/11/50/387691150.db2.gz HZRHXBWSIYJMEF-CHWSQXEVSA-N 1 3 241.379 0.295 20 0 BCADHO CCN(CC)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422744802 387691901 /nfs/dbraw/zinc/69/19/01/387691901.db2.gz KVRGBBLGFMLRSB-NWDGAFQWSA-N 1 3 213.369 0.916 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000422865265 387746285 /nfs/dbraw/zinc/74/62/85/387746285.db2.gz XLVSDCZOHGKGOP-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422871467 387748471 /nfs/dbraw/zinc/74/84/71/387748471.db2.gz YZPFMBUKCOGNLH-IJLUTSLNSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCO[C@@H]1CCOC1 ZINC000422872950 387753663 /nfs/dbraw/zinc/75/36/63/387753663.db2.gz JHGVLCJWBNEHCL-JHJVBQTASA-N 1 3 242.363 0.770 20 0 BCADHO C[C@H](NCCN1CCCCC1)C1C[NH2+]C1 ZINC000422801797 387703372 /nfs/dbraw/zinc/70/33/72/387703372.db2.gz APWROVCBGSNPGU-NSHDSACASA-N 1 3 211.353 0.670 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114399998 387703668 /nfs/dbraw/zinc/70/36/68/387703668.db2.gz ASQZUGVSBBJHDT-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)N(C)C ZINC000629614217 387717718 /nfs/dbraw/zinc/71/77/18/387717718.db2.gz IDLOYQMCPHTULZ-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)CN1CCC(C)CC1 ZINC000422830534 387721932 /nfs/dbraw/zinc/72/19/32/387721932.db2.gz IMPJTQBZGOGPFD-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]2N)CCSC1 ZINC000422828085 387722102 /nfs/dbraw/zinc/72/21/02/387722102.db2.gz SSDFZLGQSLSLBZ-UTUOFQBUSA-N 1 3 243.420 0.893 20 0 BCADHO Cc1nccn1CC[NH2+][C@H]1CNCC[C@H]1C ZINC000422830243 387723942 /nfs/dbraw/zinc/72/39/42/387723942.db2.gz CJFRRCWRJYHVIQ-PWSUYJOCSA-N 1 3 222.336 0.779 20 0 BCADHO Cc1nccn1CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422830243 387723943 /nfs/dbraw/zinc/72/39/43/387723943.db2.gz CJFRRCWRJYHVIQ-PWSUYJOCSA-N 1 3 222.336 0.779 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]C)N(C)C ZINC000422832751 387726269 /nfs/dbraw/zinc/72/62/69/387726269.db2.gz VNLROTGQJGVOEP-MNOVXSKESA-N 1 3 229.368 0.688 20 0 BCADHO CCC[C@H](C(=O)N1CCN[C@@H](C)C1)[NH+](C)C ZINC000422841655 387730643 /nfs/dbraw/zinc/73/06/43/387730643.db2.gz WKGTXAWPENGWID-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](O)C[C@H](C)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422789516 387732294 /nfs/dbraw/zinc/73/22/94/387732294.db2.gz TYZSXDXIFXXUQX-FIQHERPVSA-N 1 3 214.353 0.981 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424142707 387736436 /nfs/dbraw/zinc/73/64/36/387736436.db2.gz ITRASRYKDXAVGT-MMWGEVLESA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H](NCCN1CCC(C)CC1)C1C[NH2+]C1 ZINC000422855850 387737863 /nfs/dbraw/zinc/73/78/63/387737863.db2.gz FLNFODRWXPVZFY-LBPRGKRZSA-N 1 3 225.380 0.916 20 0 BCADHO C[C@@H](NC[C@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000422897772 387765391 /nfs/dbraw/zinc/76/53/91/387765391.db2.gz CSTRFOWYWHOWTK-UTUOFQBUSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000422910379 387768539 /nfs/dbraw/zinc/76/85/39/387768539.db2.gz HYZRRFUERMGSIK-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCN1C ZINC000422908555 387769478 /nfs/dbraw/zinc/76/94/78/387769478.db2.gz YQJDENBXVDVLJQ-GRYCIOLGSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000441626730 387773347 /nfs/dbraw/zinc/77/33/47/387773347.db2.gz JHBMYABFDCWNIX-ZYHUDNBSSA-N 1 3 235.331 0.267 20 0 BCADHO COc1ccc(C[C@H](C)NC[C@H](C)[NH3+])cn1 ZINC000643529563 387774866 /nfs/dbraw/zinc/77/48/66/387774866.db2.gz BCQVDDPRVCYTOF-UWVGGRQHSA-N 1 3 223.320 0.958 20 0 BCADHO CN(CCNC(=O)[C@@H]1C[C@@H]1[NH3+])Cc1ccccc1 ZINC000424152630 387799953 /nfs/dbraw/zinc/79/99/53/387799953.db2.gz ISRXZCKKVRAPLU-OLZOCXBDSA-N 1 3 247.342 0.582 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000432527703 387800199 /nfs/dbraw/zinc/80/01/99/387800199.db2.gz RGYIRXLHPYSHJW-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1N[C@H]1C[NH2+]CC[C@H]1C ZINC000422990241 387801210 /nfs/dbraw/zinc/80/12/10/387801210.db2.gz MYZUIOXGLABICH-RHYQMDGZSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1[NH2+][C@H]1CNCC[C@H]1C ZINC000422990241 387801213 /nfs/dbraw/zinc/80/12/13/387801213.db2.gz MYZUIOXGLABICH-RHYQMDGZSA-N 1 3 211.353 0.524 20 0 BCADHO COC(C)(C)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000309469736 387803049 /nfs/dbraw/zinc/80/30/49/387803049.db2.gz UDMVBBZHJJUYBF-NSHDSACASA-N 1 3 230.352 0.456 20 0 BCADHO COC(C)(C)CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309469736 387803054 /nfs/dbraw/zinc/80/30/54/387803054.db2.gz UDMVBBZHJJUYBF-NSHDSACASA-N 1 3 230.352 0.456 20 0 BCADHO COCCN1CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882202 387758366 /nfs/dbraw/zinc/75/83/66/387758366.db2.gz ANSOPOXLIDFQHJ-AGIUHOORSA-N 1 3 241.379 0.424 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000422882202 387758370 /nfs/dbraw/zinc/75/83/70/387758370.db2.gz ANSOPOXLIDFQHJ-AGIUHOORSA-N 1 3 241.379 0.424 20 0 BCADHO COC[C@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000564076717 387820996 /nfs/dbraw/zinc/82/09/96/387820996.db2.gz FLVBJOJTRKIGDK-WDEREUQCSA-N 1 3 232.368 0.560 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CC[C@H](O)C1 ZINC000423074321 387873595 /nfs/dbraw/zinc/87/35/95/387873595.db2.gz UNQJKNAKTOZMGL-RHYQMDGZSA-N 1 3 212.337 0.735 20 0 BCADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000423018840 387841580 /nfs/dbraw/zinc/84/15/80/387841580.db2.gz ZXVAHTOFTHOIAT-VXGBXAGGSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H](NC[C@]1(O)CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033443 387848637 /nfs/dbraw/zinc/84/86/37/387848637.db2.gz GRQNZEXYXHDOEF-RWMBFGLXSA-N 1 3 241.379 0.173 20 0 BCADHO CC(C)OC(=O)CC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193645241 387858599 /nfs/dbraw/zinc/85/85/99/387858599.db2.gz AKLHKTKKAHRZKV-TXEJJXNPSA-N 1 3 240.347 0.822 20 0 BCADHO CC(C)OC(=O)CC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193645241 387858602 /nfs/dbraw/zinc/85/86/02/387858602.db2.gz AKLHKTKKAHRZKV-TXEJJXNPSA-N 1 3 240.347 0.822 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2CCCC(=O)N2)CC1 ZINC000433093815 387864683 /nfs/dbraw/zinc/86/46/83/387864683.db2.gz VYWZAAYVSUTSAJ-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@H]1CN(C[C@@H](C)[NH3+])CCN1CCOC ZINC000442654352 387815185 /nfs/dbraw/zinc/81/51/85/387815185.db2.gz BFIHYMWILKSGTA-NEPJUHHUSA-N 1 3 229.368 0.376 20 0 BCADHO CCC[NH+](CCC)CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000424154372 387815450 /nfs/dbraw/zinc/81/54/50/387815450.db2.gz LQVWQNSGRIGXAW-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]([NH3+])CN1CCN(CC2CCOCC2)CC1 ZINC000442665951 387818607 /nfs/dbraw/zinc/81/86/07/387818607.db2.gz RMZPXWXBFGSMRM-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO CC[C@@H]1CN(CCN[C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000423085077 387878651 /nfs/dbraw/zinc/87/86/51/387878651.db2.gz JGDUDHLDGJNAAU-RWMBFGLXSA-N 1 3 243.395 0.813 20 0 BCADHO Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])c(=O)n1C ZINC000423086558 387880728 /nfs/dbraw/zinc/88/07/28/387880728.db2.gz MDHNMPVKEBBUBO-AAEUAGOBSA-N 1 3 249.358 0.911 20 0 BCADHO C[C@H]1CCNC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423095246 387884356 /nfs/dbraw/zinc/88/43/56/387884356.db2.gz LTDVYGBIVFBPTD-QWHCGFSZSA-N 1 3 223.364 0.836 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CC=CCC1 ZINC000423094543 387884724 /nfs/dbraw/zinc/88/47/24/387884724.db2.gz KJDWDJUSJMLSPO-NEPJUHHUSA-N 1 3 211.353 0.964 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236648352 387899569 /nfs/dbraw/zinc/89/95/69/387899569.db2.gz HTDLMFBHSQZXGD-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236648352 387899574 /nfs/dbraw/zinc/89/95/74/387899574.db2.gz HTDLMFBHSQZXGD-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236648352 387899576 /nfs/dbraw/zinc/89/95/76/387899576.db2.gz HTDLMFBHSQZXGD-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430890909 387937346 /nfs/dbraw/zinc/93/73/46/387937346.db2.gz TXONFQZHWAOYOC-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000423154221 387932639 /nfs/dbraw/zinc/93/26/39/387932639.db2.gz IWHUPDQEDUYTPX-VWYCJHECSA-N 1 3 227.352 0.631 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424216788 387933415 /nfs/dbraw/zinc/93/34/15/387933415.db2.gz JNDFMXSUFHVDRM-BWZBUEFSSA-N 1 3 235.278 0.355 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217438 387934308 /nfs/dbraw/zinc/93/43/08/387934308.db2.gz LLWAHFQVLOYBAJ-JMJZKYOTSA-N 1 3 225.336 0.513 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424217437 387934837 /nfs/dbraw/zinc/93/48/37/387934837.db2.gz LLWAHFQVLOYBAJ-FBIMIBRVSA-N 1 3 225.336 0.513 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147593 387925105 /nfs/dbraw/zinc/92/51/05/387925105.db2.gz DAVDOMCELHXEIT-QNWHQSFQSA-N 1 3 241.379 0.565 20 0 BCADHO CCCN(C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438521643 387940362 /nfs/dbraw/zinc/94/03/62/387940362.db2.gz FAHVUQIBJGJGLP-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)N(C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000438536936 387941122 /nfs/dbraw/zinc/94/11/22/387941122.db2.gz XVBQYKYLFQMMSS-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@@H](O)CN2)c1 ZINC000424235927 387941499 /nfs/dbraw/zinc/94/14/99/387941499.db2.gz ITKWEEKDBRJWIN-VXGBXAGGSA-N 1 3 249.314 0.115 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000424235917 387942632 /nfs/dbraw/zinc/94/26/32/387942632.db2.gz ITKWEEKDBRJWIN-NWDGAFQWSA-N 1 3 249.314 0.115 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCC1(CO)CC1 ZINC000423161125 387944185 /nfs/dbraw/zinc/94/41/85/387944185.db2.gz NJBQEDXICIGUPO-MNOVXSKESA-N 1 3 212.337 0.737 20 0 BCADHO CC(C)[C@H](CO)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423107955 387945120 /nfs/dbraw/zinc/94/51/20/387945120.db2.gz LTVFHOBPWRFGCA-GRYCIOLGSA-N 1 3 214.353 0.839 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NCCN1CC=CCC1 ZINC000392248843 387945237 /nfs/dbraw/zinc/94/52/37/387945237.db2.gz SRTXUGMFAJZVCL-CHWSQXEVSA-N 1 3 223.364 0.965 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000392248843 387945241 /nfs/dbraw/zinc/94/52/41/387945241.db2.gz SRTXUGMFAJZVCL-CHWSQXEVSA-N 1 3 223.364 0.965 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423194369 387980506 /nfs/dbraw/zinc/98/05/06/387980506.db2.gz RIFYWLYSTIMCIR-TUAOUCFPSA-N 1 3 211.353 0.668 20 0 BCADHO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424367509 387991911 /nfs/dbraw/zinc/99/19/11/387991911.db2.gz MKBUPARVWNXPLY-HBNTYKKESA-N 1 3 248.392 0.669 20 0 BCADHO Cc1cncc([C@@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423211046 387995599 /nfs/dbraw/zinc/99/55/99/387995599.db2.gz XTLCVEBRIVBADC-CYBMUJFWSA-N 1 3 248.374 0.946 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000159356822 388009067 /nfs/dbraw/zinc/00/90/67/388009067.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000159356822 388009070 /nfs/dbraw/zinc/00/90/70/388009070.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000159356822 388009073 /nfs/dbraw/zinc/00/90/73/388009073.db2.gz OQQPITJIDSLWRF-STQMWFEESA-N 1 3 243.395 0.494 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000156617022 388011590 /nfs/dbraw/zinc/01/15/90/388011590.db2.gz WEVZKWFKILNGDC-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO O=C(N[C@H]1CCN(C2CC2)C1)[C@H]1C[C@H](F)CN1 ZINC000446294121 388012121 /nfs/dbraw/zinc/01/21/21/388012121.db2.gz VOFUAEPXBCSTTB-ATZCPNFKSA-N 1 3 241.310 0.039 20 0 BCADHO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[C@H](F)CN1 ZINC000446294121 388012124 /nfs/dbraw/zinc/01/21/24/388012124.db2.gz VOFUAEPXBCSTTB-ATZCPNFKSA-N 1 3 241.310 0.039 20 0 BCADHO O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[C@H](F)CN1 ZINC000446294121 388012128 /nfs/dbraw/zinc/01/21/28/388012128.db2.gz VOFUAEPXBCSTTB-ATZCPNFKSA-N 1 3 241.310 0.039 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CCN1C ZINC000446374967 388017215 /nfs/dbraw/zinc/01/72/15/388017215.db2.gz RVEFRBQVHMUWCM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH2+]CCN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423252680 388033291 /nfs/dbraw/zinc/03/32/91/388033291.db2.gz YAPFMJFYFWWYCU-JQWIXIFHSA-N 1 3 211.353 0.668 20 0 BCADHO CC[NH2+]CCN[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423252674 388034302 /nfs/dbraw/zinc/03/43/02/388034302.db2.gz YAPFMJFYFWWYCU-CMPLNLGQSA-N 1 3 211.353 0.668 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@H]2CCC[NH2+]2)C1 ZINC000423244458 388028890 /nfs/dbraw/zinc/02/88/90/388028890.db2.gz XNZPYUYKRNKLMG-QJPTWQEYSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)C[NH+]1CCC(NC(=O)CN)CC1 ZINC000083889458 388064733 /nfs/dbraw/zinc/06/47/33/388064733.db2.gz LCXUJGVMKHRJHY-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CC(C)(C)N)CN1C1CC1 ZINC000423287962 388072878 /nfs/dbraw/zinc/07/28/78/388072878.db2.gz PQTKALWLFOISSO-UWVGGRQHSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H]1C[C@H](NCC(C)(C)[NH3+])CN1C1CC1 ZINC000423287962 388072880 /nfs/dbraw/zinc/07/28/80/388072880.db2.gz PQTKALWLFOISSO-UWVGGRQHSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N)CN1C1CC1 ZINC000423287964 388073166 /nfs/dbraw/zinc/07/31/66/388073166.db2.gz PQTKALWLFOISSO-ZJUUUORDSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@@H]1C[C@H](NCC(C)(C)[NH3+])CN1C1CC1 ZINC000423287964 388073168 /nfs/dbraw/zinc/07/31/68/388073168.db2.gz PQTKALWLFOISSO-ZJUUUORDSA-N 1 3 211.353 0.939 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000447514876 388076059 /nfs/dbraw/zinc/07/60/59/388076059.db2.gz ILSLYOSNLJWUTC-GRYCIOLGSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)C1([NH3+])CCC1 ZINC000449320542 388172564 /nfs/dbraw/zinc/17/25/64/388172564.db2.gz OERKIQVJZLCBST-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CCCCN(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449336547 388175303 /nfs/dbraw/zinc/17/53/03/388175303.db2.gz NZVXZRHBVXOAKE-VXGBXAGGSA-N 1 3 241.379 0.690 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000488503325 388183124 /nfs/dbraw/zinc/18/31/24/388183124.db2.gz UKIRAIUTIDFJOQ-GARJFASQSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000488503325 388183127 /nfs/dbraw/zinc/18/31/27/388183127.db2.gz UKIRAIUTIDFJOQ-GARJFASQSA-N 1 3 227.352 0.250 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000646012290 388124330 /nfs/dbraw/zinc/12/43/30/388124330.db2.gz KZOCOOXCKCWXHT-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)CCN1C ZINC000646077539 388138174 /nfs/dbraw/zinc/13/81/74/388138174.db2.gz UASMMDYZHVVVST-VWYCJHECSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449119332 388145377 /nfs/dbraw/zinc/14/53/77/388145377.db2.gz YDJRYGGQAAAVLX-GXSJLCMTSA-N 1 3 227.352 0.617 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000449123266 388145618 /nfs/dbraw/zinc/14/56/18/388145618.db2.gz NNQHZTZQCBNICO-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000449123266 388145621 /nfs/dbraw/zinc/14/56/21/388145621.db2.gz NNQHZTZQCBNICO-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000449122426 388145649 /nfs/dbraw/zinc/14/56/49/388145649.db2.gz LIXULBJNKNHSRD-ATZCPNFKSA-N 1 3 225.336 0.371 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449144279 388148243 /nfs/dbraw/zinc/14/82/43/388148243.db2.gz SKPDWHHWYUVHMB-KOLCDFICSA-N 1 3 227.352 0.761 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)NC1CC1 ZINC000449145834 388148594 /nfs/dbraw/zinc/14/85/94/388148594.db2.gz MIOVLSGITQXQTN-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000449175330 388153292 /nfs/dbraw/zinc/15/32/92/388153292.db2.gz JRLNBYQMPFNEIH-GARJFASQSA-N 1 3 227.352 0.583 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000449175332 388153497 /nfs/dbraw/zinc/15/34/97/388153497.db2.gz JRLNBYQMPFNEIH-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN(C)C ZINC000449184771 388155101 /nfs/dbraw/zinc/15/51/01/388155101.db2.gz IHUVHBDOBOONEJ-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000449661712 388249670 /nfs/dbraw/zinc/24/96/70/388249670.db2.gz CYKRJNZYKLHBPQ-VIFPVBQESA-N 1 3 249.305 0.442 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000449665130 388250557 /nfs/dbraw/zinc/25/05/57/388250557.db2.gz MQBQMTUOWGXXAW-BDAKNGLRSA-N 1 3 249.305 0.331 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000449665133 388250733 /nfs/dbraw/zinc/25/07/33/388250733.db2.gz MQBQMTUOWGXXAW-RKDXNWHRSA-N 1 3 249.305 0.331 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000449402237 388195150 /nfs/dbraw/zinc/19/51/50/388195150.db2.gz QEVXDAVEUSGCOX-YWVKMMECSA-N 1 3 225.336 0.241 20 0 BCADHO Cc1ccncc1CN1CCC(O)(C[NH3+])CC1 ZINC000397025944 388259208 /nfs/dbraw/zinc/25/92/08/388259208.db2.gz MYWWDRZOICIDFB-UHFFFAOYSA-N 1 3 235.331 0.676 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646320692 388221652 /nfs/dbraw/zinc/22/16/52/388221652.db2.gz YOVRHEGKDGQQHY-ZWNOBZJWSA-N 1 3 237.347 0.196 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000449608569 388241280 /nfs/dbraw/zinc/24/12/80/388241280.db2.gz IKABFTBXTUWDAO-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000449611389 388242174 /nfs/dbraw/zinc/24/21/74/388242174.db2.gz VLTXYVVPVMNAKN-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000449611390 388242478 /nfs/dbraw/zinc/24/24/78/388242478.db2.gz VLTXYVVPVMNAKN-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](C(C)C)N(C)C ZINC000449608912 388242512 /nfs/dbraw/zinc/24/25/12/388242512.db2.gz LJAVFVBJGHHGSM-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000449611391 388243398 /nfs/dbraw/zinc/24/33/98/388243398.db2.gz VLTXYVVPVMNAKN-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO CCCN(C)CC(=O)N(C)C1CC([NH3+])C1 ZINC000449633302 388246020 /nfs/dbraw/zinc/24/60/20/388246020.db2.gz PEZMPSMKZCQNCZ-UHFFFAOYSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449633092 388246212 /nfs/dbraw/zinc/24/62/12/388246212.db2.gz OSAUPSJAYJONDW-BJDJZHNGSA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449633093 388246630 /nfs/dbraw/zinc/24/66/30/388246630.db2.gz OSAUPSJAYJONDW-QCNOEVLYSA-N 1 3 241.379 0.994 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449645163 388247616 /nfs/dbraw/zinc/24/76/16/388247616.db2.gz LGJPCIGXFIDRPZ-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1CC[C@H](CN2CCC(O)(C[NH3+])CC2)O1 ZINC000397060937 388284492 /nfs/dbraw/zinc/28/44/92/388284492.db2.gz PTZOEYHMWBUPKB-WDEREUQCSA-N 1 3 228.336 0.340 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491896250 388326809 /nfs/dbraw/zinc/32/68/09/388326809.db2.gz YYQMUOAXXSFCTC-BQYQJAHWSA-N 1 3 241.379 0.952 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491896250 388326810 /nfs/dbraw/zinc/32/68/10/388326810.db2.gz YYQMUOAXXSFCTC-BQYQJAHWSA-N 1 3 241.379 0.952 20 0 BCADHO CN(CCN1CCCC1)C(=O)/C=C/C[NH+](C)C ZINC000491910430 388327428 /nfs/dbraw/zinc/32/74/28/388327428.db2.gz YYWIGHXGSROOGJ-VOTSOKGWSA-N 1 3 239.363 0.658 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336004 388261949 /nfs/dbraw/zinc/26/19/49/388261949.db2.gz FMCHKZOETMXOMY-GMTAPVOTSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953486 388269734 /nfs/dbraw/zinc/26/97/34/388269734.db2.gz VUUINCBMAJPNDP-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953486 388269737 /nfs/dbraw/zinc/26/97/37/388269737.db2.gz VUUINCBMAJPNDP-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO NC(=O)CCN(CCC[NH3+])Cc1ccccc1 ZINC000230027401 388348445 /nfs/dbraw/zinc/34/84/45/388348445.db2.gz SGHXDISFHXYHKD-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000516571132 388349980 /nfs/dbraw/zinc/34/99/80/388349980.db2.gz ONOJVSOAPALZGP-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584006 388358085 /nfs/dbraw/zinc/35/80/85/388358085.db2.gz MFKALVOCXKJLDY-GMTAPVOTSA-N 1 3 237.347 0.609 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000572644989 388363433 /nfs/dbraw/zinc/36/34/33/388363433.db2.gz SNRNSDLYUCDYMZ-RNFRBKRXSA-N 1 3 241.257 0.366 20 0 BCADHO C[C@@H](NC(=O)[C@H]1CNCc2ccccc21)[C@H](C)[NH3+] ZINC000572760864 388374743 /nfs/dbraw/zinc/37/47/43/388374743.db2.gz GNRHGJZPPGJFDJ-CWSCBRNRSA-N 1 3 247.342 0.725 20 0 BCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)CNC1CC1 ZINC000519634771 256654157 /nfs/dbraw/zinc/65/41/57/256654157.db2.gz MHXQOSAZMRAFES-NSHDSACASA-N 1 3 239.363 0.633 20 0 BCADHO Cc1noc(CCCN2CCC(C[NH3+])CC2)n1 ZINC000519652401 256654729 /nfs/dbraw/zinc/65/47/29/256654729.db2.gz LHVMIKWPCWORJB-UHFFFAOYSA-N 1 3 238.335 0.981 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000519712138 256657702 /nfs/dbraw/zinc/65/77/02/256657702.db2.gz LJARQLKHFWYJFQ-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236738253 388382538 /nfs/dbraw/zinc/38/25/38/388382538.db2.gz GEMXMSIMORSQGY-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236764039 388382562 /nfs/dbraw/zinc/38/25/62/388382562.db2.gz MGGUKHOLZFJOMF-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CCO[C@@H]1C[C@H]1N[C@@H](CCC[NH3+])COC ZINC000519762347 256658725 /nfs/dbraw/zinc/65/87/25/256658725.db2.gz INPIPZDBJKXAHT-HBNTYKKESA-N 1 3 216.325 0.507 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236797138 388383809 /nfs/dbraw/zinc/38/38/09/388383809.db2.gz MDEWQBWIQWUSTB-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1)C(C)C ZINC000236861514 388384228 /nfs/dbraw/zinc/38/42/28/388384228.db2.gz NZEWVYUTHAMKCO-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1)C(C)C ZINC000236861514 388384231 /nfs/dbraw/zinc/38/42/31/388384231.db2.gz NZEWVYUTHAMKCO-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C)C[NH2+]C ZINC000236842227 388384722 /nfs/dbraw/zinc/38/47/22/388384722.db2.gz PNMUPLNGOYOWBO-JTQLQIEISA-N 1 3 215.341 0.300 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646578203 388387736 /nfs/dbraw/zinc/38/77/36/388387736.db2.gz PLRKNFROVOQLRQ-WDEREUQCSA-N 1 3 239.363 0.442 20 0 BCADHO CN1CCC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000300689141 388388252 /nfs/dbraw/zinc/38/82/52/388388252.db2.gz FGDDRODDPRZQON-STQMWFEESA-N 1 3 241.379 0.127 20 0 BCADHO CO[C@H](C[NH3+])CC(=O)Nc1cccc(CN)c1 ZINC000646578723 388388929 /nfs/dbraw/zinc/38/89/29/388388929.db2.gz BYLHUNWQRAKJOX-NSHDSACASA-N 1 3 237.303 0.448 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000237042908 388389224 /nfs/dbraw/zinc/38/92/24/388389224.db2.gz FMZPHROJMMDADC-WCQGTBRESA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@@H+]1CCC[C@@H](C)C1 ZINC000237401561 388394350 /nfs/dbraw/zinc/39/43/50/388394350.db2.gz GOELIICOPAXDHI-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[N@H+]1CCC[C@@H](C)C1 ZINC000237401561 388394353 /nfs/dbraw/zinc/39/43/53/388394353.db2.gz GOELIICOPAXDHI-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO NC1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000237795537 388397979 /nfs/dbraw/zinc/39/79/79/388397979.db2.gz DAAQBQDXRGMITB-NSHDSACASA-N 1 3 239.363 0.764 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)C(C)(C)C[NH3+] ZINC000237677197 388398515 /nfs/dbraw/zinc/39/85/15/388398515.db2.gz HEAQAZYBATYVOQ-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC000572959581 388399138 /nfs/dbraw/zinc/39/91/38/388399138.db2.gz YBBRWMBNBNXBML-WCQGTBRESA-N 1 3 239.363 0.618 20 0 BCADHO [NH3+]CCOCC(=O)Nc1cccc2c1CCNC2 ZINC000646735576 388446058 /nfs/dbraw/zinc/44/60/58/388446058.db2.gz AUSPKKAGBBQOMX-UHFFFAOYSA-N 1 3 249.314 0.246 20 0 BCADHO N[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045259 388448377 /nfs/dbraw/zinc/44/83/77/388448377.db2.gz MXHKVNHBKUZTNN-RYUDHWBXSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045259 388448378 /nfs/dbraw/zinc/44/83/78/388448378.db2.gz MXHKVNHBKUZTNN-RYUDHWBXSA-N 1 3 237.347 0.420 20 0 BCADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000394058194 388449694 /nfs/dbraw/zinc/44/96/94/388449694.db2.gz VLDJYCVHYJGMTE-WOPDTQHZSA-N 1 3 214.353 0.968 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H](C)N1CCCCCC1 ZINC000194887572 388454620 /nfs/dbraw/zinc/45/46/20/388454620.db2.gz MEHFBEFVWYYYKP-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336659945 388460101 /nfs/dbraw/zinc/46/01/01/388460101.db2.gz BRCROGVSYSKJCR-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H](O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336659945 388460102 /nfs/dbraw/zinc/46/01/02/388460102.db2.gz BRCROGVSYSKJCR-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646672793 388411836 /nfs/dbraw/zinc/41/18/36/388411836.db2.gz ONBSIXMGTUPGRV-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000040458540 388416353 /nfs/dbraw/zinc/41/63/53/388416353.db2.gz LJAOINBBKVBCJO-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000646688518 388416997 /nfs/dbraw/zinc/41/69/97/388416997.db2.gz MJRXFNRHXRKATE-CMPLNLGQSA-N 1 3 241.379 0.946 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646713324 388426179 /nfs/dbraw/zinc/42/61/79/388426179.db2.gz GFXLNBHORBDESS-NXEZZACHSA-N 1 3 225.336 0.052 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000646713444 388426903 /nfs/dbraw/zinc/42/69/03/388426903.db2.gz LQNZOOKCBNHBAS-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000646718537 388430683 /nfs/dbraw/zinc/43/06/83/388430683.db2.gz XYQZYFGDYMURQM-LLVKDONJSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000646718538 388430780 /nfs/dbraw/zinc/43/07/80/388430780.db2.gz XYQZYFGDYMURQM-NSHDSACASA-N 1 3 239.363 0.442 20 0 BCADHO CCCN(C)CC(=O)N1CCNCC1(C)C ZINC000649273512 388484543 /nfs/dbraw/zinc/48/45/43/388484543.db2.gz OFDWAZFKYWOJRQ-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273512 388484545 /nfs/dbraw/zinc/48/45/45/388484545.db2.gz OFDWAZFKYWOJRQ-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649277106 388500289 /nfs/dbraw/zinc/50/02/89/388500289.db2.gz DDMZDWSIJZVERM-KXNHARMFSA-N 1 3 237.347 0.337 20 0 BCADHO CN(CCC[NH3+])C(=O)c1ccc2c(c1)CNC2 ZINC000646783134 388500675 /nfs/dbraw/zinc/50/06/75/388500675.db2.gz PYAHXPMNKIKVNX-UHFFFAOYSA-N 1 3 233.315 0.711 20 0 BCADHO CN(CCC[NH3+])C(=O)C1CCN(C)CC1 ZINC000646781521 388500865 /nfs/dbraw/zinc/50/08/65/388500865.db2.gz XCMMIEXBUXZSTR-UHFFFAOYSA-N 1 3 213.325 0.135 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](CCCO)C1 ZINC000516876459 388522254 /nfs/dbraw/zinc/52/22/54/388522254.db2.gz YJXGYMZSRYGIOY-OLZOCXBDSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](CCCO)C1 ZINC000516876459 388522256 /nfs/dbraw/zinc/52/22/56/388522256.db2.gz YJXGYMZSRYGIOY-OLZOCXBDSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@H](CCCO)C1 ZINC000516876460 388522630 /nfs/dbraw/zinc/52/26/30/388522630.db2.gz YJXGYMZSRYGIOY-QWHCGFSZSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](CCCO)C1 ZINC000516876460 388522631 /nfs/dbraw/zinc/52/26/31/388522631.db2.gz YJXGYMZSRYGIOY-QWHCGFSZSA-N 1 3 244.379 0.393 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517139852 256816751 /nfs/dbraw/zinc/81/67/51/256816751.db2.gz KNOGCDBRFPOZQI-HBNTYKKESA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000564345782 388527880 /nfs/dbraw/zinc/52/78/80/388527880.db2.gz DAEAJZBBGYZEBY-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000564345782 388527882 /nfs/dbraw/zinc/52/78/82/388527882.db2.gz DAEAJZBBGYZEBY-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041048 388536275 /nfs/dbraw/zinc/53/62/75/388536275.db2.gz DBXKQLBOIBRFBN-NWDGAFQWSA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261579553 135220306 /nfs/dbraw/zinc/22/03/06/135220306.db2.gz MHNNQBSOKFTUEP-FXBDTBDDSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000517456800 388551048 /nfs/dbraw/zinc/55/10/48/388551048.db2.gz ZZMFRSXOPDJHCX-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000517456800 388551051 /nfs/dbraw/zinc/55/10/51/388551051.db2.gz ZZMFRSXOPDJHCX-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000517569948 388553784 /nfs/dbraw/zinc/55/37/84/388553784.db2.gz UANWWOIDDRHIRD-RKDXNWHRSA-N 1 3 249.305 0.603 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000521050453 388560538 /nfs/dbraw/zinc/56/05/38/388560538.db2.gz OWFNLDZCTOSUGE-PHIMTYICSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183575998 388570143 /nfs/dbraw/zinc/57/01/43/388570143.db2.gz PQZYHVPJENPPFM-YVECIDJPSA-N 1 3 224.348 0.996 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183575998 388570146 /nfs/dbraw/zinc/57/01/46/388570146.db2.gz PQZYHVPJENPPFM-YVECIDJPSA-N 1 3 224.348 0.996 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@H]1NCC1(C)C ZINC000649295487 388573226 /nfs/dbraw/zinc/57/32/26/388573226.db2.gz OMEPKWHLZXECRI-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)[C@@H](C)CC ZINC000261547596 135240770 /nfs/dbraw/zinc/24/07/70/135240770.db2.gz MOPJEKJYSCMILW-IVZWLZJFSA-N 1 3 215.341 0.474 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646856978 388626216 /nfs/dbraw/zinc/62/62/16/388626216.db2.gz UROTXZJKQYRCSC-FOGDFJRCSA-N 1 3 243.351 0.079 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246295787 388629007 /nfs/dbraw/zinc/62/90/07/388629007.db2.gz NQGWWFAHDKQRTL-WYUUTHIRSA-N 1 3 241.379 0.816 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1COCCN1 ZINC000530222946 388634108 /nfs/dbraw/zinc/63/41/08/388634108.db2.gz IUIZWDKGAVBJDH-SDDRHHMPSA-N 1 3 227.352 0.082 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530222946 388634109 /nfs/dbraw/zinc/63/41/09/388634109.db2.gz IUIZWDKGAVBJDH-SDDRHHMPSA-N 1 3 227.352 0.082 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223143 388634468 /nfs/dbraw/zinc/63/44/68/388634468.db2.gz OVCHITABKMLWBW-FDYHWXHSSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COCCN1 ZINC000530223143 388634472 /nfs/dbraw/zinc/63/44/72/388634472.db2.gz OVCHITABKMLWBW-FDYHWXHSSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COCCN1 ZINC000530223143 388634476 /nfs/dbraw/zinc/63/44/76/388634476.db2.gz OVCHITABKMLWBW-FDYHWXHSSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C1C[NH2+]C1 ZINC000530224356 388634706 /nfs/dbraw/zinc/63/47/06/388634706.db2.gz LPYFWEXHHFPABL-LIJGXYGRSA-N 1 3 212.337 0.996 20 0 BCADHO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C1CNC1 ZINC000530224356 388634709 /nfs/dbraw/zinc/63/47/09/388634709.db2.gz LPYFWEXHHFPABL-LIJGXYGRSA-N 1 3 212.337 0.996 20 0 BCADHO COC[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000227077200 388739940 /nfs/dbraw/zinc/73/99/40/388739940.db2.gz ULDUAJMHCCCXMW-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CC[C@@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249115044 388709642 /nfs/dbraw/zinc/70/96/42/388709642.db2.gz NTRFOANFQOITMM-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](CO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249115044 388709645 /nfs/dbraw/zinc/70/96/45/388709645.db2.gz NTRFOANFQOITMM-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000249481432 388723454 /nfs/dbraw/zinc/72/34/54/388723454.db2.gz VSALULNGIVFOFH-VXGBXAGGSA-N 1 3 246.420 0.984 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000249481432 388723455 /nfs/dbraw/zinc/72/34/55/388723455.db2.gz VSALULNGIVFOFH-VXGBXAGGSA-N 1 3 246.420 0.984 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C2CC2)CC[N@@H+]1C ZINC000648749989 388800434 /nfs/dbraw/zinc/80/04/34/388800434.db2.gz ZFGGXOILTYQARZ-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C2CC2)CC[N@H+]1C ZINC000648749989 388800438 /nfs/dbraw/zinc/80/04/38/388800438.db2.gz ZFGGXOILTYQARZ-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO CNCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000564655211 388883123 /nfs/dbraw/zinc/88/31/23/388883123.db2.gz DRAVHSGPWIVWDJ-SECBINFHSA-N 1 3 221.304 0.542 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000564957800 388902792 /nfs/dbraw/zinc/90/27/92/388902792.db2.gz FJJSUBMWFSVXOL-NXEZZACHSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)C(C)(C)N ZINC000564929807 388898765 /nfs/dbraw/zinc/89/87/65/388898765.db2.gz VYYYYBFKDOSIGN-UHFFFAOYSA-N 1 3 201.314 0.228 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000564956777 388901049 /nfs/dbraw/zinc/90/10/49/388901049.db2.gz SCVXTOXHTFCQNP-DCAQKATOSA-N 1 3 227.352 0.603 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000564996900 388907103 /nfs/dbraw/zinc/90/71/03/388907103.db2.gz ZRPNEFGEESNPFT-HTQZYQBOSA-N 1 3 249.305 0.473 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000163126161 388921956 /nfs/dbraw/zinc/92/19/56/388921956.db2.gz LFUYLIJVKBITGJ-QWRGUYRKSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000163126161 388921959 /nfs/dbraw/zinc/92/19/59/388921959.db2.gz LFUYLIJVKBITGJ-QWRGUYRKSA-N 1 3 227.352 0.761 20 0 BCADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)COCC)C1 ZINC000565416613 388943163 /nfs/dbraw/zinc/94/31/63/388943163.db2.gz FKLPHISZRFHDKZ-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)COCC)C1 ZINC000565416613 388943160 /nfs/dbraw/zinc/94/31/60/388943160.db2.gz FKLPHISZRFHDKZ-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COCC)C1 ZINC000565416613 388943166 /nfs/dbraw/zinc/94/31/66/388943166.db2.gz FKLPHISZRFHDKZ-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CCCCN(C)CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000565477414 388947279 /nfs/dbraw/zinc/94/72/79/388947279.db2.gz FIYSOIYFVVDKHB-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)/C=C/CN(C)C ZINC000491890737 533568576 /nfs/dbraw/zinc/56/85/76/533568576.db2.gz IBMKDPPDSQSSHG-MLRMMBSGSA-N 1 3 227.352 0.561 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000088130603 133550232 /nfs/dbraw/zinc/55/02/32/133550232.db2.gz GBZPVLPPORYVOQ-LLVKDONJSA-N 1 3 237.347 0.565 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)N)CC1 ZINC000335481699 133880940 /nfs/dbraw/zinc/88/09/40/133880940.db2.gz YAHVLGGUPNEANZ-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000349950916 133926991 /nfs/dbraw/zinc/92/69/91/133926991.db2.gz KQGABVQDCRJQBE-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@H](O)C[N@H+](CCO)CCCN1CCCCC1 ZINC000351948808 134015857 /nfs/dbraw/zinc/01/58/57/134015857.db2.gz IPYAQEAJYKQBIN-ZDUSSCGKSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@H](O)C[N@@H+](CCO)CCCN1CCCCC1 ZINC000351948808 134015858 /nfs/dbraw/zinc/01/58/58/134015858.db2.gz IPYAQEAJYKQBIN-ZDUSSCGKSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000336004271 134048420 /nfs/dbraw/zinc/04/84/20/134048420.db2.gz QDESBHKSVFOERX-ONGXEEELSA-N 1 3 225.336 0.182 20 0 BCADHO CC[N@H+](C)CCNC(=O)N[C@H](C)CN(C)C ZINC000352165563 134090314 /nfs/dbraw/zinc/09/03/14/134090314.db2.gz HALRQNZNAIJMLA-SNVBAGLBSA-N 1 3 230.356 0.187 20 0 BCADHO CC[N@@H+](C)CCNC(=O)N[C@H](C)CN(C)C ZINC000352165563 134090315 /nfs/dbraw/zinc/09/03/15/134090315.db2.gz HALRQNZNAIJMLA-SNVBAGLBSA-N 1 3 230.356 0.187 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336212002 134134774 /nfs/dbraw/zinc/13/47/74/134134774.db2.gz BOPIGSDIWFYOOC-ZYANWLCNSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@@H](NCCOCC[NH+](C)C)c1cnn(C)c1 ZINC000219316197 134281548 /nfs/dbraw/zinc/28/15/48/134281548.db2.gz BWXZLZUMZLYYMO-LLVKDONJSA-N 1 3 240.351 0.649 20 0 BCADHO CNC(=O)CCCN(C)C[C@H]1CCC[NH2+]C1 ZINC000220378834 134305869 /nfs/dbraw/zinc/30/58/69/134305869.db2.gz RSJFSDIKQKLAML-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CNC(=O)CCC[N@H+](C)C[C@H]1CCCNC1 ZINC000220378834 134305870 /nfs/dbraw/zinc/30/58/70/134305870.db2.gz RSJFSDIKQKLAML-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CNC(=O)CCC[N@@H+](C)C[C@H]1CCCNC1 ZINC000220378834 134305871 /nfs/dbraw/zinc/30/58/71/134305871.db2.gz RSJFSDIKQKLAML-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220946739 134315185 /nfs/dbraw/zinc/31/51/85/134315185.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC000220946739 134315186 /nfs/dbraw/zinc/31/51/86/134315186.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220946739 134315187 /nfs/dbraw/zinc/31/51/87/134315187.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220946739 134315188 /nfs/dbraw/zinc/31/51/88/134315188.db2.gz CPASRYJVBXTINR-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000178867292 134315992 /nfs/dbraw/zinc/31/59/92/134315992.db2.gz IRJGTILJGFOWAD-NHCYSSNCSA-N 1 3 237.347 0.480 20 0 BCADHO CCCN(C(=O)CN(CC)CC)[C@H]1CC[NH2+]C1 ZINC000178886327 134316077 /nfs/dbraw/zinc/31/60/77/134316077.db2.gz INTLEVDYOGJVKF-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO COC[C@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224249735 134345288 /nfs/dbraw/zinc/34/52/88/134345288.db2.gz NXMAWUIMMWOHSA-FRRDWIJNSA-N 1 3 244.379 0.894 20 0 BCADHO CC1(CNC(=O)[C@@H]2CCCCN2)CC[NH2+]CC1 ZINC000183363489 134351176 /nfs/dbraw/zinc/35/11/76/134351176.db2.gz QSRQAMDOTUJWJE-NSHDSACASA-N 1 3 239.363 0.634 20 0 BCADHO CN(C)CCOCC[NH2+]C[C@H]1CCSC1 ZINC000226387718 134365277 /nfs/dbraw/zinc/36/52/77/134365277.db2.gz BWZVDXYVXKFFGE-LLVKDONJSA-N 1 3 232.393 0.907 20 0 BCADHO CO[C@H](CN)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000227351762 134378445 /nfs/dbraw/zinc/37/84/45/134378445.db2.gz AMYJLALQRYKJDY-WDEREUQCSA-N 1 3 245.367 0.053 20 0 BCADHO CO[C@@H](CN)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000227351753 134378781 /nfs/dbraw/zinc/37/87/81/134378781.db2.gz AMYJLALQRYKJDY-QWRGUYRKSA-N 1 3 245.367 0.053 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000163602726 135005723 /nfs/dbraw/zinc/00/57/23/135005723.db2.gz OHVBWAQFVGFWDU-VHSXEESVSA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000163611390 135018932 /nfs/dbraw/zinc/01/89/32/135018932.db2.gz PFLRTCYYAPXDBB-SNVBAGLBSA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000163611390 135018933 /nfs/dbraw/zinc/01/89/33/135018933.db2.gz PFLRTCYYAPXDBB-SNVBAGLBSA-N 1 3 247.408 0.523 20 0 BCADHO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000248863468 135023614 /nfs/dbraw/zinc/02/36/14/135023614.db2.gz GTXGRFZNJJHLGE-WCABBAIRSA-N 1 3 229.299 0.074 20 0 BCADHO C[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251187823 135065247 /nfs/dbraw/zinc/06/52/47/135065247.db2.gz ILSJFEYHCLVQJJ-OUAUKWLOSA-N 1 3 200.326 0.864 20 0 BCADHO COC[C@H](O)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251218326 135066048 /nfs/dbraw/zinc/06/60/48/135066048.db2.gz NXMAWUIMMWOHSA-YNEHKIRRSA-N 1 3 244.379 0.894 20 0 BCADHO CN(CCOCC[NH3+])C[C@H]1CCCCO1 ZINC000086435488 135084856 /nfs/dbraw/zinc/08/48/56/135084856.db2.gz XPIIXIOMMGYDFF-LLVKDONJSA-N 1 3 216.325 0.463 20 0 BCADHO COC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000086638106 135091951 /nfs/dbraw/zinc/09/19/51/135091951.db2.gz GGGCNJPNLGZKGL-UHFFFAOYSA-N 1 3 202.298 0.466 20 0 BCADHO COC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000086638106 135091953 /nfs/dbraw/zinc/09/19/53/135091953.db2.gz GGGCNJPNLGZKGL-UHFFFAOYSA-N 1 3 202.298 0.466 20 0 BCADHO COC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000086638106 135091956 /nfs/dbraw/zinc/09/19/56/135091956.db2.gz GGGCNJPNLGZKGL-UHFFFAOYSA-N 1 3 202.298 0.466 20 0 BCADHO C[C@@H](O)CCN(C)C[C@H]1CCC[NH2+]C1 ZINC000252688108 135097194 /nfs/dbraw/zinc/09/71/94/135097194.db2.gz NFEATJYFRUDVGC-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261544809 135109165 /nfs/dbraw/zinc/10/91/65/135109165.db2.gz JCUPIYJYTFLKEQ-ONGXEEELSA-N 1 3 213.325 0.357 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)C(C)C ZINC000261581748 135109749 /nfs/dbraw/zinc/10/97/49/135109749.db2.gz NWGJLBLNKPVQDP-VIFPVBQESA-N 1 3 215.341 0.603 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000253151491 135121985 /nfs/dbraw/zinc/12/19/85/135121985.db2.gz HKVUWSRFEIZSCX-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO COC[C@H](C)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253196018 135123894 /nfs/dbraw/zinc/12/38/94/135123894.db2.gz SGHOMHGISUMJJO-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253196018 135123895 /nfs/dbraw/zinc/12/38/95/135123895.db2.gz SGHOMHGISUMJJO-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](CN)C1 ZINC000253196018 135123896 /nfs/dbraw/zinc/12/38/96/135123896.db2.gz SGHOMHGISUMJJO-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN ZINC000261294432 135150256 /nfs/dbraw/zinc/15/02/56/135150256.db2.gz SUZKZFIPYJKDMC-PWSUYJOCSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CN ZINC000261294432 135150258 /nfs/dbraw/zinc/15/02/58/135150258.db2.gz SUZKZFIPYJKDMC-PWSUYJOCSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1CN)C1CC1 ZINC000261531194 135159858 /nfs/dbraw/zinc/15/98/58/135159858.db2.gz FPPLFZYUMVTGMB-JLLWLGSASA-N 1 3 212.337 0.864 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000261533330 135165068 /nfs/dbraw/zinc/16/50/68/135165068.db2.gz GPANPSBEYOBSPM-CMPLNLGQSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261533451 135165288 /nfs/dbraw/zinc/16/52/88/135165288.db2.gz BAGOVGAEKNFATB-UTUOFQBUSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@H](O)C[C@H]1CCCN1CC(C)(C)[NH3+] ZINC000261538575 135176322 /nfs/dbraw/zinc/17/63/22/135176322.db2.gz YPZASNNSXXQWSF-VHSXEESVSA-N 1 3 200.326 0.959 20 0 BCADHO C[C@@H]1CCN(CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000261540764 135180028 /nfs/dbraw/zinc/18/00/28/135180028.db2.gz HUYRFCGXIDPIQF-DGCLKSJQSA-N 1 3 236.363 0.879 20 0 BCADHO OC[C@]1(F)CCN(CC2CC[NH2+]CC2)C1 ZINC000261551388 135190605 /nfs/dbraw/zinc/19/06/05/135190605.db2.gz QMHAUPJGRBOEFF-NSHDSACASA-N 1 3 216.300 0.392 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000084216428 135192833 /nfs/dbraw/zinc/19/28/33/135192833.db2.gz ZJYCTXMWQYJMGY-NEPJUHHUSA-N 1 3 222.336 0.990 20 0 BCADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H]1CCCNC1 ZINC000261561093 135201612 /nfs/dbraw/zinc/20/16/12/135201612.db2.gz VBWSJBQKMXMJOC-BSCCGWMCSA-N 1 3 236.359 0.687 20 0 BCADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2C[C@H]1CCCNC1 ZINC000261561093 135201614 /nfs/dbraw/zinc/20/16/14/135201614.db2.gz VBWSJBQKMXMJOC-BSCCGWMCSA-N 1 3 236.359 0.687 20 0 BCADHO O[C@H](CN[C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972167 135209927 /nfs/dbraw/zinc/20/99/27/135209927.db2.gz CMUBTVBVNLEORX-VXGBXAGGSA-N 1 3 244.404 0.928 20 0 BCADHO C[C@H]([NH3+])CN1CCNCc2ccccc21 ZINC000261568450 135210105 /nfs/dbraw/zinc/21/01/05/135210105.db2.gz FPXFFDCTRMFPHF-JTQLQIEISA-N 1 3 205.305 0.943 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261570066 135212276 /nfs/dbraw/zinc/21/22/76/135212276.db2.gz GOELIICOPAXDHI-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261570066 135212277 /nfs/dbraw/zinc/21/22/77/135212277.db2.gz GOELIICOPAXDHI-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO C[NH+](C)C1(CNC(=O)CN)CCCCCC1 ZINC000261581100 135221913 /nfs/dbraw/zinc/22/19/13/135221913.db2.gz NIZZWXJBZVZBNW-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO Cc1n[nH]cc1CN1CCC(C[NH3+])CC1 ZINC000261583392 135223928 /nfs/dbraw/zinc/22/39/28/135223928.db2.gz OZMPKOUUXALQGU-UHFFFAOYSA-N 1 3 208.309 0.889 20 0 BCADHO [NH3+]C1(CNC(=O)[C@@H]2CCCCN2)CCC1 ZINC000261588891 135229594 /nfs/dbraw/zinc/22/95/94/135229594.db2.gz SSLGLXJBIBEOFB-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO CN(C[C@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547164 135239887 /nfs/dbraw/zinc/23/98/87/135239887.db2.gz LYOZCIQPKAIBEK-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261642532 135242596 /nfs/dbraw/zinc/24/25/96/135242596.db2.gz CGWSXMOQFIEMDM-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C(C1CC[NH2+]CC1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000261677626 135245312 /nfs/dbraw/zinc/24/53/12/135245312.db2.gz GQJXTUWKLFZXNJ-TXEJJXNPSA-N 1 3 226.320 0.086 20 0 BCADHO COC(=O)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)[C@H]1C ZINC000261689488 135246217 /nfs/dbraw/zinc/24/62/17/135246217.db2.gz AZRYIHQVPLUKSE-LOWVWBTDSA-N 1 3 240.347 0.869 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C2(N)CC2)C1 ZINC000084419981 135248799 /nfs/dbraw/zinc/24/87/99/135248799.db2.gz AWQJLNPUTSJLIW-VIFPVBQESA-N 1 3 211.309 0.030 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000084420061 135249519 /nfs/dbraw/zinc/24/95/19/135249519.db2.gz MCYDCWWCGNXKGF-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261761733 135250486 /nfs/dbraw/zinc/25/04/86/135250486.db2.gz JTTICXYMTBGYGD-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261801779 135254275 /nfs/dbraw/zinc/25/42/75/135254275.db2.gz MPXPPDZBRQCJMU-WHOHXGKFSA-N 1 3 239.363 0.713 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCN2CCOC[C@H]2C1 ZINC000261833723 135256036 /nfs/dbraw/zinc/25/60/36/135256036.db2.gz JHDKWKGSUYWVKC-CYBMUJFWSA-N 1 3 239.363 0.002 20 0 BCADHO [NH3+]CCN1CCNC[C@H]1c1cccc(F)c1 ZINC000261863005 135258256 /nfs/dbraw/zinc/25/82/56/135258256.db2.gz WPDUGAJHPBIIDL-LBPRGKRZSA-N 1 3 223.295 0.731 20 0 BCADHO NC1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCCC1 ZINC000261927845 135263821 /nfs/dbraw/zinc/26/38/21/135263821.db2.gz KMERDTBPHNMMJP-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO CNC(=O)[C@@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261925976 135263884 /nfs/dbraw/zinc/26/38/84/135263884.db2.gz CFHWTKRDQSEXFZ-YPMHNXCESA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@H](C(=O)NCC1C[NH2+]C1)N(CC)CC ZINC000261939731 135264654 /nfs/dbraw/zinc/26/46/54/135264654.db2.gz GJMKSZXXAJCFGQ-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)[C@]1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033510 135274930 /nfs/dbraw/zinc/27/49/30/135274930.db2.gz OHVKHFMMAPPJKV-QWHCGFSZSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)[N@@H+]1CCC[C@H](C)C1 ZINC000262185883 135284776 /nfs/dbraw/zinc/28/47/76/135284776.db2.gz SVSRWUUKHTVIFT-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)[N@H+]1CCC[C@H](C)C1 ZINC000262185883 135284778 /nfs/dbraw/zinc/28/47/78/135284778.db2.gz SVSRWUUKHTVIFT-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000342576765 135291930 /nfs/dbraw/zinc/29/19/30/135291930.db2.gz ATINSJXBDMHYNB-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000262367793 135297671 /nfs/dbraw/zinc/29/76/71/135297671.db2.gz LIGJQMZWXRHVAE-GXSJLCMTSA-N 1 3 245.392 0.135 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262374375 135298039 /nfs/dbraw/zinc/29/80/39/135298039.db2.gz MPISLLLOAYIXGO-NOHGZBONSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH3+])N1CCCCC1 ZINC000262551343 135305596 /nfs/dbraw/zinc/30/55/96/135305596.db2.gz YMMUABBBIRLZRT-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000262582704 135306876 /nfs/dbraw/zinc/30/68/76/135306876.db2.gz QMJSPNDDDIDYFR-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626852 135309797 /nfs/dbraw/zinc/30/97/97/135309797.db2.gz LBXFOKWXYSHNGL-WHOHXGKFSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746860 135311128 /nfs/dbraw/zinc/31/11/28/135311128.db2.gz VTJZTWMGEBPNBR-JQWIXIFHSA-N 1 3 227.352 0.620 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000262660618 135311884 /nfs/dbraw/zinc/31/18/84/135311884.db2.gz ZAYAFSBXNMUJHY-ZJUUUORDSA-N 1 3 229.368 0.994 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CC[NH2+]C1)N(CC)CC ZINC000342723472 135314792 /nfs/dbraw/zinc/31/47/92/135314792.db2.gz IWZGDRHYKASLPI-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N(C)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262839039 135321005 /nfs/dbraw/zinc/32/10/05/135321005.db2.gz WWWLVILRQAWCGA-WDEREUQCSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262839039 135321007 /nfs/dbraw/zinc/32/10/07/135321007.db2.gz WWWLVILRQAWCGA-WDEREUQCSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000262839039 135321008 /nfs/dbraw/zinc/32/10/08/135321008.db2.gz WWWLVILRQAWCGA-WDEREUQCSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000262923500 135323996 /nfs/dbraw/zinc/32/39/96/135323996.db2.gz ZOIWBRLJZLNQRJ-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCCC2)C[C@@]1(C)C[NH3+] ZINC000335298578 136007705 /nfs/dbraw/zinc/00/77/05/136007705.db2.gz BXSVLNNGPGGCAN-ZYHUDNBSSA-N 1 3 239.363 0.701 20 0 BCADHO CNCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335322141 136050282 /nfs/dbraw/zinc/05/02/82/136050282.db2.gz PLJATPDWAURWSG-NSHDSACASA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000335345024 136065808 /nfs/dbraw/zinc/06/58/08/136065808.db2.gz FXLUMYKYBCKADF-IUCAKERBSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000335357513 136074668 /nfs/dbraw/zinc/07/46/68/136074668.db2.gz BSVOLEXWTLMQDX-RKDXNWHRSA-N 1 3 233.315 0.755 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000335357506 136074674 /nfs/dbraw/zinc/07/46/74/136074674.db2.gz BSVOLEXWTLMQDX-BDAKNGLRSA-N 1 3 233.315 0.755 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335380579 136087533 /nfs/dbraw/zinc/08/75/33/136087533.db2.gz NKWFGZQEJBCDBM-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]1CN(C(=O)c2ccc3c(c2)CNC3)C[C@H]1[NH3+] ZINC000335383213 136087962 /nfs/dbraw/zinc/08/79/62/136087962.db2.gz ADVRLBBPOVXOGZ-TVQRCGJNSA-N 1 3 245.326 0.709 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000335390535 136090735 /nfs/dbraw/zinc/09/07/35/136090735.db2.gz PMNYNSJBEIBSLH-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO N[C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396195 136092505 /nfs/dbraw/zinc/09/25/05/136092505.db2.gz RVJBQBKJYOQFBF-WCQYABFASA-N 1 3 237.347 0.326 20 0 BCADHO CNCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000335396304 136092514 /nfs/dbraw/zinc/09/25/14/136092514.db2.gz OGKLFNNVKZFXBV-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO O=C1NCC[C@@H]1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335397762 136092853 /nfs/dbraw/zinc/09/28/53/136092853.db2.gz YAIZTXVOFXRLQK-RYUDHWBXSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000348663706 136115626 /nfs/dbraw/zinc/11/56/26/136115626.db2.gz FAKNVARMLSMYIX-GHMZBOCLSA-N 1 3 229.368 0.639 20 0 BCADHO C[C@@H](CNC(=O)C1CC[NH2+]CC1)N1CCCC1 ZINC000083883708 322861164 /nfs/dbraw/zinc/86/11/64/322861164.db2.gz SPNLDCJBCJLBTK-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000446361217 397947888 /nfs/dbraw/zinc/94/78/88/397947888.db2.gz YZKCFKPIIMPVKR-JBLDHEPKSA-N 1 3 237.347 0.195 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)CCSC ZINC000054132941 397903538 /nfs/dbraw/zinc/90/35/38/397903538.db2.gz JJKYUSDBIREPJI-VIFPVBQESA-N 1 3 233.381 0.135 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)CCSC ZINC000054132941 397903541 /nfs/dbraw/zinc/90/35/41/397903541.db2.gz JJKYUSDBIREPJI-VIFPVBQESA-N 1 3 233.381 0.135 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000054133121 397903571 /nfs/dbraw/zinc/90/35/71/397903571.db2.gz IGUKUUJIKMXMCJ-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530980 397922643 /nfs/dbraw/zinc/92/26/43/397922643.db2.gz RXIVFAUMJUTZCI-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000649530980 397922648 /nfs/dbraw/zinc/92/26/48/397922648.db2.gz RXIVFAUMJUTZCI-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382948115 397991427 /nfs/dbraw/zinc/99/14/27/397991427.db2.gz KVJLGYPCAOBRGN-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373052895 398010374 /nfs/dbraw/zinc/01/03/74/398010374.db2.gz DGAICUFEZGBEQA-OUAUKWLOSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953164 398010867 /nfs/dbraw/zinc/01/08/67/398010867.db2.gz FVGXRAPNDJIGBH-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094610 398023391 /nfs/dbraw/zinc/02/33/91/398023391.db2.gz OSRMJPSPWVUVSM-JBLDHEPKSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637845690 398029717 /nfs/dbraw/zinc/02/97/17/398029717.db2.gz BSMXBUSCZDHXPX-GHMZBOCLSA-N 1 3 229.368 0.849 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000582676819 398041608 /nfs/dbraw/zinc/04/16/08/398041608.db2.gz KQISDXXEQWBGHC-UWVGGRQHSA-N 1 3 213.325 0.100 20 0 BCADHO COC[C@@H](C)[N@@H+]1CCCO[C@@H](CN)C1 ZINC000313341742 398043798 /nfs/dbraw/zinc/04/37/98/398043798.db2.gz FXPPIFGYPVPKKG-ZJUUUORDSA-N 1 3 202.298 0.071 20 0 BCADHO COC[C@@H](C)[N@H+]1CCCO[C@@H](CN)C1 ZINC000313341742 398043802 /nfs/dbraw/zinc/04/38/02/398043802.db2.gz FXPPIFGYPVPKKG-ZJUUUORDSA-N 1 3 202.298 0.071 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000236911216 398117469 /nfs/dbraw/zinc/11/74/69/398117469.db2.gz RUWMINDQTYSSCP-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000236911216 398117473 /nfs/dbraw/zinc/11/74/73/398117473.db2.gz RUWMINDQTYSSCP-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567632 398131714 /nfs/dbraw/zinc/13/17/14/398131714.db2.gz PZFIGHVQRSWSJG-MMWGEVLESA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000069626436 167051775 /nfs/dbraw/zinc/05/17/75/167051775.db2.gz OHXPZJZEEVYDCJ-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000094295684 487529078 /nfs/dbraw/zinc/52/90/78/487529078.db2.gz ITELZMBWONBAKZ-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[NH2+]CCC(=O)N(C)C1CCN(C)CC1 ZINC000037618211 167100165 /nfs/dbraw/zinc/10/01/65/167100165.db2.gz OHLCBTHUFVGPLW-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113512339 167269614 /nfs/dbraw/zinc/26/96/14/167269614.db2.gz HRDOBUXIRUCKIB-CHWSQXEVSA-N 1 3 244.379 0.656 20 0 BCADHO CC(C)OC[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113512339 167269616 /nfs/dbraw/zinc/26/96/16/167269616.db2.gz HRDOBUXIRUCKIB-CHWSQXEVSA-N 1 3 244.379 0.656 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)CNC1CC1 ZINC000664719465 487594769 /nfs/dbraw/zinc/59/47/69/487594769.db2.gz TUOVXOOFJDVIAF-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)CNC1CC1 ZINC000664719465 487594775 /nfs/dbraw/zinc/59/47/75/487594775.db2.gz TUOVXOOFJDVIAF-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)N(C)C[C@H](O)C[NH+](C)C[C@H](C)O ZINC000309000760 487605109 /nfs/dbraw/zinc/60/51/09/487605109.db2.gz LKIDAFNCZGROJT-WDEREUQCSA-N 1 3 218.341 0.000 20 0 BCADHO C[NH2+][C@@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662246110 409541969 /nfs/dbraw/zinc/54/19/69/409541969.db2.gz PFGZRNAQTUOFMW-VXGBXAGGSA-N 1 3 239.363 0.191 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N(C)C ZINC000655245558 409701799 /nfs/dbraw/zinc/70/17/99/409701799.db2.gz OLHQHKKDYUELTD-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000662440341 409722376 /nfs/dbraw/zinc/72/23/76/409722376.db2.gz XQBXSHHDCNYMFW-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCN(C)C1 ZINC000069839783 409788544 /nfs/dbraw/zinc/78/85/44/409788544.db2.gz AILKYRUDLVTWTG-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653105173 409797531 /nfs/dbraw/zinc/79/75/31/409797531.db2.gz JOMLKHRKXJFQAI-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](CCNC(=O)[C@@H](N)C1CCC1)[NH+](C)C ZINC000662632588 409803999 /nfs/dbraw/zinc/80/39/99/409803999.db2.gz FMZDAKIKQMDKLJ-KOLCDFICSA-N 1 3 227.352 0.570 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662635428 409806553 /nfs/dbraw/zinc/80/65/53/409806553.db2.gz VNJBTFKRRPAMGV-IUCAKERBSA-N 1 3 201.314 0.051 20 0 BCADHO C[C@@H](CCNC(=O)[C@H](N)CC(F)F)[NH+](C)C ZINC000662635453 409807180 /nfs/dbraw/zinc/80/71/80/409807180.db2.gz WEZXWHJSTYOBBC-JGVFFNPUSA-N 1 3 237.294 0.425 20 0 BCADHO C[C@H](CCNC(=O)[C@@H](N)CC(F)F)[NH+](C)C ZINC000662635454 409807496 /nfs/dbraw/zinc/80/74/96/409807496.db2.gz WEZXWHJSTYOBBC-SFYZADRCSA-N 1 3 237.294 0.425 20 0 BCADHO CCN(CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497649 409854312 /nfs/dbraw/zinc/85/43/12/409854312.db2.gz VESWHMMNDAMXHF-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662730222 409875237 /nfs/dbraw/zinc/87/52/37/409875237.db2.gz ACVYUFOULHHPTM-NXEZZACHSA-N 1 3 215.341 0.459 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000662771541 409892818 /nfs/dbraw/zinc/89/28/18/409892818.db2.gz ZTCAGBMYTREIKF-AULYBMBSSA-N 1 3 245.326 0.643 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837783 409946872 /nfs/dbraw/zinc/94/68/72/409946872.db2.gz KZICEJBNLOMQAC-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837783 409946877 /nfs/dbraw/zinc/94/68/77/409946877.db2.gz KZICEJBNLOMQAC-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844944 409949482 /nfs/dbraw/zinc/94/94/82/409949482.db2.gz JAMPXYIWEZTVMO-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C)N(CC)CC ZINC000662965491 409996805 /nfs/dbraw/zinc/99/68/05/409996805.db2.gz LSKLDLRORUXBFA-MNOVXSKESA-N 1 3 229.368 0.831 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)CNC1CC1 ZINC000653176256 410152810 /nfs/dbraw/zinc/15/28/10/410152810.db2.gz ODJABUFAHUQKGV-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)CNC1CC1 ZINC000653176256 410152819 /nfs/dbraw/zinc/15/28/19/410152819.db2.gz ODJABUFAHUQKGV-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)N ZINC000653175937 410153157 /nfs/dbraw/zinc/15/31/57/410153157.db2.gz GODGEKCFCMJHAO-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)N ZINC000653175937 410153165 /nfs/dbraw/zinc/15/31/65/410153165.db2.gz GODGEKCFCMJHAO-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232802 410175442 /nfs/dbraw/zinc/17/54/42/410175442.db2.gz JWCVZVQRSFTVBU-VWYCJHECSA-N 1 3 227.352 0.700 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CC[C@@H](C)O ZINC000309198670 410269556 /nfs/dbraw/zinc/26/95/56/410269556.db2.gz BAMXDZCALAOIIB-VXGBXAGGSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CC[C@@H](C)O ZINC000309198670 410269563 /nfs/dbraw/zinc/26/95/63/410269563.db2.gz BAMXDZCALAOIIB-VXGBXAGGSA-N 1 3 232.368 0.390 20 0 BCADHO Cn1ccnc1CNCCC1(C[NH3+])CC1 ZINC000650712510 410342620 /nfs/dbraw/zinc/34/26/20/410342620.db2.gz HDSOUTANTLBHBD-UHFFFAOYSA-N 1 3 208.309 0.639 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@H+](C)C1CC1 ZINC000226398324 487615281 /nfs/dbraw/zinc/61/52/81/487615281.db2.gz COLNJCLAWFCYDN-QMMMGPOBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@@H+](C)C1CC1 ZINC000226398324 487615287 /nfs/dbraw/zinc/61/52/87/487615287.db2.gz COLNJCLAWFCYDN-QMMMGPOBSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000122576126 410294673 /nfs/dbraw/zinc/29/46/73/410294673.db2.gz XTIRPXIZIBYAJI-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653266642 410306271 /nfs/dbraw/zinc/30/62/71/410306271.db2.gz CTLIAIWNUVQBET-NSHDSACASA-N 1 3 227.352 0.476 20 0 BCADHO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000653266995 410308523 /nfs/dbraw/zinc/30/85/23/410308523.db2.gz JCLCDQPNWIZTOT-LBPRGKRZSA-N 1 3 239.363 0.634 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000650743044 410378388 /nfs/dbraw/zinc/37/83/88/410378388.db2.gz KZZUPXOPTCLTBO-ZRUFSTJUSA-N 1 3 225.336 0.500 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)N(C)C ZINC000130493108 410403348 /nfs/dbraw/zinc/40/33/48/410403348.db2.gz LRLSJUZKEPWLJN-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](COCC1CC1)N[C@H](C)C1C[NH2+]C1 ZINC000650760841 410410486 /nfs/dbraw/zinc/41/04/86/410410486.db2.gz NINPSFSQWNTXBU-NXEZZACHSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](COCC1CC1)[NH2+][C@H](C)C1CNC1 ZINC000650760841 410410492 /nfs/dbraw/zinc/41/04/92/410410492.db2.gz NINPSFSQWNTXBU-NXEZZACHSA-N 1 3 212.337 0.999 20 0 BCADHO N[C@H](C(=O)NCCC1CC[NH2+]CC1)C1CCC1 ZINC000653273130 410544791 /nfs/dbraw/zinc/54/47/91/410544791.db2.gz PXEPJSQQCKEINW-LBPRGKRZSA-N 1 3 239.363 0.620 20 0 BCADHO N[C@@H](C(=O)NCCC1CC[NH2+]CC1)C1CCC1 ZINC000653273129 410545025 /nfs/dbraw/zinc/54/50/25/410545025.db2.gz PXEPJSQQCKEINW-GFCCVEGCSA-N 1 3 239.363 0.620 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236842752 169767438 /nfs/dbraw/zinc/76/74/38/169767438.db2.gz PIGWDXKQOVFAOB-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000309266038 410692413 /nfs/dbraw/zinc/69/24/13/410692413.db2.gz JMMVMTDMBXQODH-SECBINFHSA-N 1 3 213.325 0.310 20 0 BCADHO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)[C@H]1CCOC1 ZINC000665234972 410727326 /nfs/dbraw/zinc/72/73/26/410727326.db2.gz NEBFCJPPFLRQHD-WUHRBBMRSA-N 1 3 242.363 0.755 20 0 BCADHO CC[C@H]1CN(C(=O)C2(N)CC2)CC[C@H]1[NH3+] ZINC000393734750 410757557 /nfs/dbraw/zinc/75/75/57/410757557.db2.gz ASOHOKQKTNGETF-DTWKUNHWSA-N 1 3 211.309 0.064 20 0 BCADHO CCC(C)(C)N1CCN(C(=O)CC[NH2+]C)CC1 ZINC000655493155 410816495 /nfs/dbraw/zinc/81/64/95/410816495.db2.gz CUSURUDRODEWIO-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H](C)[C@H]1CCCOC1 ZINC000665298625 410828385 /nfs/dbraw/zinc/82/83/85/410828385.db2.gz ZERIFVVSIAGVBS-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)CN ZINC000019439232 169775972 /nfs/dbraw/zinc/77/59/72/169775972.db2.gz UGAWEZMMHNXESY-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO C[C@H](NC(=O)CNC1CC1)C1CC[NH+](C)CC1 ZINC000396440637 410883373 /nfs/dbraw/zinc/88/33/73/410883373.db2.gz TXUBKHDIVAYOPJ-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396438957 410883669 /nfs/dbraw/zinc/88/36/69/410883669.db2.gz QQNFIJSVDXMRQC-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396446566 410883987 /nfs/dbraw/zinc/88/39/87/410883987.db2.gz CTPSTJWCSQATQB-JQWIXIFHSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)C1CCC1)[NH+]1CCCC1 ZINC000399088778 411014970 /nfs/dbraw/zinc/01/49/70/411014970.db2.gz VRKJCFOSGCKWKA-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538987 411137488 /nfs/dbraw/zinc/13/74/88/411137488.db2.gz WRYCAMYTUFDAMG-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538987 411137489 /nfs/dbraw/zinc/13/74/89/411137489.db2.gz WRYCAMYTUFDAMG-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO CN(CC(=O)N1CCC[NH2+]CC1)CC(C)(C)C ZINC000045074029 411144092 /nfs/dbraw/zinc/14/40/92/411144092.db2.gz JJGLTYBZFAJPIG-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CN(CC(=O)N(C)CCC[NH3+])CC(C)(C)C ZINC000045068693 411144097 /nfs/dbraw/zinc/14/40/97/411144097.db2.gz ATQRUHZIKYWMDC-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CNC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978303 411159780 /nfs/dbraw/zinc/15/97/80/411159780.db2.gz PRECWGIKYQKSBE-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO COC[C@@H](CC(C)(C)C)NC[C@H](O)C[NH+](C)C ZINC000652151697 411161968 /nfs/dbraw/zinc/16/19/68/411161968.db2.gz ZYGHGHDYPXBAQC-NEPJUHHUSA-N 1 3 246.395 0.950 20 0 BCADHO NC[C@@H](NC(=O)CC1([NH3+])CCC1)C(F)(F)F ZINC000655504820 411115110 /nfs/dbraw/zinc/11/51/10/411115110.db2.gz KBPYSSJUMMSQSL-ZCFIWIBFSA-N 1 3 239.241 0.264 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCCC1=O ZINC000405464382 411172255 /nfs/dbraw/zinc/17/22/55/411172255.db2.gz ZKMNGVSEAASAEN-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCCC1=O ZINC000405464382 411172256 /nfs/dbraw/zinc/17/22/56/411172256.db2.gz ZKMNGVSEAASAEN-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCCC1=O ZINC000405464379 411172849 /nfs/dbraw/zinc/17/28/49/411172849.db2.gz ZKMNGVSEAASAEN-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCCC1=O ZINC000405464379 411172852 /nfs/dbraw/zinc/17/28/52/411172852.db2.gz ZKMNGVSEAASAEN-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nncn1C ZINC000401050641 411174607 /nfs/dbraw/zinc/17/46/07/411174607.db2.gz XYTVYQBKUCCGNF-NNYUYHANSA-N 1 3 249.362 0.854 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCC[C@@H]1CN(C)C ZINC000061644094 411174752 /nfs/dbraw/zinc/17/47/52/411174752.db2.gz RDFRXSRAFZFOBN-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO Cn1ccnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401105743 411177157 /nfs/dbraw/zinc/17/71/57/411177157.db2.gz FIKNENHUGJUAFV-IJLUTSLNSA-N 1 3 234.347 0.898 20 0 BCADHO CN(CCNC(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000062010158 411186320 /nfs/dbraw/zinc/18/63/20/411186320.db2.gz PGSBJKDAAWVAMU-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H](C[NH2+][C@@H](C)Cn1cncn1)CN(C)C ZINC000658017915 411198659 /nfs/dbraw/zinc/19/86/59/411198659.db2.gz MBNSKQCVVKCFHA-QWRGUYRKSA-N 1 3 225.340 0.454 20 0 BCADHO C[C@@H](CN[C@@H](C)Cn1cncn1)C[NH+](C)C ZINC000658017915 411198663 /nfs/dbraw/zinc/19/86/63/411198663.db2.gz MBNSKQCVVKCFHA-QWRGUYRKSA-N 1 3 225.340 0.454 20 0 BCADHO CCn1cnnc1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656197415 411202739 /nfs/dbraw/zinc/20/27/39/411202739.db2.gz HXKMSIRRBLCVCM-GHMZBOCLSA-N 1 3 237.351 0.700 20 0 BCADHO Cc1nc2n(n1)C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000656197489 411203133 /nfs/dbraw/zinc/20/31/33/411203133.db2.gz MJIPZXPYAOXRAZ-SDDRHHMPSA-N 1 3 249.362 0.761 20 0 BCADHO Cc1nc2n(n1)C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000656197488 411203263 /nfs/dbraw/zinc/20/32/63/411203263.db2.gz MJIPZXPYAOXRAZ-QJPTWQEYSA-N 1 3 249.362 0.761 20 0 BCADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CN(C)CCO1 ZINC000656198171 411203297 /nfs/dbraw/zinc/20/32/97/411203297.db2.gz IXDZWDLTPPHPOE-WUHRBBMRSA-N 1 3 241.379 0.565 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424190573 411245574 /nfs/dbraw/zinc/24/55/74/411245574.db2.gz MQXDMBXNQMVQDA-WISYIIOYSA-N 1 3 237.347 0.182 20 0 BCADHO C[C@H](CO)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000652358560 411213721 /nfs/dbraw/zinc/21/37/21/411213721.db2.gz RVVFQCAFQOYXRV-NEPJUHHUSA-N 1 3 226.364 0.936 20 0 BCADHO C[C@@H](CO)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000652358561 411213770 /nfs/dbraw/zinc/21/37/70/411213770.db2.gz RVVFQCAFQOYXRV-NWDGAFQWSA-N 1 3 226.364 0.936 20 0 BCADHO CCCN1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000658055750 411222902 /nfs/dbraw/zinc/22/29/02/411222902.db2.gz VNJITCUUZPRGLQ-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000659295451 411225555 /nfs/dbraw/zinc/22/55/55/411225555.db2.gz SEAKIFXZRRYEFA-GFCCVEGCSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000659295859 411225709 /nfs/dbraw/zinc/22/57/09/411225709.db2.gz GEGLXDXGGLTFPR-UWVGGRQHSA-N 1 3 213.325 0.193 20 0 BCADHO [NH3+]CC1(CC(=O)NCCN2CCCCC2)CC1 ZINC000423306697 411238096 /nfs/dbraw/zinc/23/80/96/411238096.db2.gz FPGVKUZEHUWQCM-UHFFFAOYSA-N 1 3 239.363 0.718 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH3+])N(C)C ZINC000309538323 411165713 /nfs/dbraw/zinc/16/57/13/411165713.db2.gz FXKXQACYTIEBEZ-RKDXNWHRSA-N 1 3 201.314 0.036 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH3+])N(C)C ZINC000309538320 411166328 /nfs/dbraw/zinc/16/63/28/411166328.db2.gz FXKXQACYTIEBEZ-BDAKNGLRSA-N 1 3 201.314 0.036 20 0 BCADHO c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000400958370 411166405 /nfs/dbraw/zinc/16/64/05/411166405.db2.gz IAQDIEQPOWKAHX-GARJFASQSA-N 1 3 220.320 0.887 20 0 BCADHO CCN(CCN1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000402599002 411269929 /nfs/dbraw/zinc/26/99/29/411269929.db2.gz PXEXRGSVTMMLCT-CYBMUJFWSA-N 1 3 241.379 0.393 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@H]1CCCN1C ZINC000659642184 411277426 /nfs/dbraw/zinc/27/74/26/411277426.db2.gz JTASSOOJHGNRTL-MNOVXSKESA-N 1 3 242.367 0.330 20 0 BCADHO c1c(CCN2CCCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468750 411280830 /nfs/dbraw/zinc/28/08/30/411280830.db2.gz RXENOKURVDKTTR-ZDUSSCGKSA-N 1 3 249.362 0.841 20 0 BCADHO c1c(CCN2CCCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468749 411281016 /nfs/dbraw/zinc/28/10/16/411281016.db2.gz RXENOKURVDKTTR-CYBMUJFWSA-N 1 3 249.362 0.841 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)CN1C[C@@H]1CC[NH2+]C1 ZINC000051889764 411284450 /nfs/dbraw/zinc/28/44/50/411284450.db2.gz LVUJZYXEWSRXGL-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)N(C)C ZINC000130434977 411297221 /nfs/dbraw/zinc/29/72/21/411297221.db2.gz LRLSJUZKEPWLJN-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CN(CCNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000061996774 411256746 /nfs/dbraw/zinc/25/67/46/411256746.db2.gz VKFCPLRAPFPETG-CYBMUJFWSA-N 1 3 241.379 0.127 20 0 BCADHO CC[N@@H+]1CC[C@@H](N[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000658349564 411350925 /nfs/dbraw/zinc/35/09/25/411350925.db2.gz KIDIEYJJHBGPEF-FIQHERPVSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@@H](N[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000658349564 411350930 /nfs/dbraw/zinc/35/09/30/411350930.db2.gz KIDIEYJJHBGPEF-FIQHERPVSA-N 1 3 212.337 0.830 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000659325553 411353980 /nfs/dbraw/zinc/35/39/80/411353980.db2.gz UUUWFAHKVKYFJB-VXGBXAGGSA-N 1 3 241.379 0.783 20 0 BCADHO c1cn(C[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787586 411365489 /nfs/dbraw/zinc/36/54/89/411365489.db2.gz NXTLPRKJSIMVDP-QWHCGFSZSA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@@H]2CC[N@H+](C[C@H]3CCCNC3)C2)nn1 ZINC000656787586 411365491 /nfs/dbraw/zinc/36/54/91/411365491.db2.gz NXTLPRKJSIMVDP-QWHCGFSZSA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@@H]2CC[N@@H+](C[C@H]3CCCNC3)C2)nn1 ZINC000656787586 411365494 /nfs/dbraw/zinc/36/54/94/411365494.db2.gz NXTLPRKJSIMVDP-QWHCGFSZSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@]12COC[C@H]1C[N@H+](C[C@H]1CCCNC1)C2 ZINC000656790971 411370270 /nfs/dbraw/zinc/37/02/70/411370270.db2.gz CGXWJBMYLJETTH-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]12COC[C@H]1C[N@@H+](C[C@H]1CCCNC1)C2 ZINC000656790971 411370273 /nfs/dbraw/zinc/37/02/73/411370273.db2.gz CGXWJBMYLJETTH-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040832993 168179201 /nfs/dbraw/zinc/17/92/01/168179201.db2.gz YCQYGVGBAUKAQM-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CCCN1CCC(C)CC1 ZINC000102559459 168179788 /nfs/dbraw/zinc/17/97/88/168179788.db2.gz ROBMDFFWJXKGLG-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CC(N)=O)NCCC[NH+]1CCC(C)CC1 ZINC000102559459 168179789 /nfs/dbraw/zinc/17/97/89/168179789.db2.gz ROBMDFFWJXKGLG-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CC1CCN(CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000123090361 168181057 /nfs/dbraw/zinc/18/10/57/168181057.db2.gz SIPXEEXQTQWLRX-UHFFFAOYSA-N 1 3 241.379 0.819 20 0 BCADHO CC1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000040772512 168181261 /nfs/dbraw/zinc/18/12/61/168181261.db2.gz GDFWGXCVIJBEBP-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCC(C)CC1 ZINC000070317350 168181339 /nfs/dbraw/zinc/18/13/39/168181339.db2.gz OLISDKZMAYFVJK-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000659326885 411394408 /nfs/dbraw/zinc/39/44/08/411394408.db2.gz AMYACMOQBFLSGQ-NSHDSACASA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000580763863 411395524 /nfs/dbraw/zinc/39/55/24/411395524.db2.gz WIXQOWIPYREPML-RHYQMDGZSA-N 1 3 239.363 0.489 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCCC[NH+]1CCCC1 ZINC000336696053 411401005 /nfs/dbraw/zinc/40/10/05/411401005.db2.gz IPRLAEUMFOPSFG-VIFPVBQESA-N 1 3 249.305 0.571 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)NC1CCN(C)CC1 ZINC000659424204 411412440 /nfs/dbraw/zinc/41/24/40/411412440.db2.gz AAZHQLIWHYHCJL-UHFFFAOYSA-N 1 3 242.367 0.459 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405319660 411425432 /nfs/dbraw/zinc/42/54/32/411425432.db2.gz YMHVFJLAIZRFGQ-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC[C@@H](C)C[NH3+])C1 ZINC000659525418 411428128 /nfs/dbraw/zinc/42/81/28/411428128.db2.gz GEAQCFRXBCFXTK-QWRGUYRKSA-N 1 3 242.367 0.365 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659609728 411441185 /nfs/dbraw/zinc/44/11/85/411441185.db2.gz LDGYRRLVVPXSAV-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)CC[NH3+])C1 ZINC000659608998 411441616 /nfs/dbraw/zinc/44/16/16/411441616.db2.gz HSZKODUVOISPFF-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO CCCN(C(=O)[C@H](C)NCC)[C@H]1CC[NH2+]C1 ZINC000637834027 411444595 /nfs/dbraw/zinc/44/45/95/411444595.db2.gz UIEIGMTUBRFMJY-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCN1CCCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659636425 411445132 /nfs/dbraw/zinc/44/51/32/411445132.db2.gz LJGASDDBXQNYOR-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1C[C@@H](N(C)C)C1 ZINC000655805789 411520385 /nfs/dbraw/zinc/52/03/85/411520385.db2.gz SDDZOUORTLXBAJ-MXWKQRLJSA-N 1 3 248.392 0.349 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)C[C@H](O)C1CC1 ZINC000659991716 411520679 /nfs/dbraw/zinc/52/06/79/411520679.db2.gz ALDVQXGTHBQPNR-STQMWFEESA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000659991716 411520682 /nfs/dbraw/zinc/52/06/82/411520682.db2.gz ALDVQXGTHBQPNR-STQMWFEESA-N 1 3 244.379 0.390 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012796 411527368 /nfs/dbraw/zinc/52/73/68/411527368.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012796 411527369 /nfs/dbraw/zinc/52/73/69/411527369.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 1 3 249.362 0.763 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012796 411527371 /nfs/dbraw/zinc/52/73/71/411527371.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012796 411527373 /nfs/dbraw/zinc/52/73/73/411527373.db2.gz UPQDYUNEHARQQF-AAEUAGOBSA-N 1 3 249.362 0.763 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309987102 170007400 /nfs/dbraw/zinc/00/74/00/170007400.db2.gz YUDCNVBFXCZKNR-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000309987102 170007401 /nfs/dbraw/zinc/00/74/01/170007401.db2.gz YUDCNVBFXCZKNR-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000309987102 170007402 /nfs/dbraw/zinc/00/74/02/170007402.db2.gz YUDCNVBFXCZKNR-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC)C[C@@H]1C ZINC000354210332 170009527 /nfs/dbraw/zinc/00/95/27/170009527.db2.gz SJSDPWWKIKVJNN-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC)C[C@@H]1C ZINC000354210332 170009528 /nfs/dbraw/zinc/00/95/28/170009528.db2.gz SJSDPWWKIKVJNN-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310390154 170015606 /nfs/dbraw/zinc/01/56/06/170015606.db2.gz RKFWHDXNGZKLHX-BDAKNGLRSA-N 1 3 249.305 0.427 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310390154 170015608 /nfs/dbraw/zinc/01/56/08/170015608.db2.gz RKFWHDXNGZKLHX-BDAKNGLRSA-N 1 3 249.305 0.427 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000332600928 170040401 /nfs/dbraw/zinc/04/04/01/170040401.db2.gz AULWXNAVCLXBSW-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000309543252 170061111 /nfs/dbraw/zinc/06/11/11/170061111.db2.gz YVPMPQCQPMEPGC-PHIMTYICSA-N 1 3 225.336 0.054 20 0 BCADHO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000036794708 170088356 /nfs/dbraw/zinc/08/83/56/170088356.db2.gz CCLQJJDPJVVZJE-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CO ZINC000660281729 411565094 /nfs/dbraw/zinc/56/50/94/411565094.db2.gz ZTOMMINBJROYJY-CHWSQXEVSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CO ZINC000660281729 411565095 /nfs/dbraw/zinc/56/50/95/411565095.db2.gz ZTOMMINBJROYJY-CHWSQXEVSA-N 1 3 244.379 0.534 20 0 BCADHO C[NH+](C)[C@H]1CCCN(CCc2c[nH]nn2)CC1 ZINC000660415209 411582167 /nfs/dbraw/zinc/58/21/67/411582167.db2.gz BQHQROHKRHMICT-LBPRGKRZSA-N 1 3 237.351 0.763 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657842084 411610377 /nfs/dbraw/zinc/61/03/77/411610377.db2.gz TUWHFBAHOBWZOI-VXGBXAGGSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@H](C)Cn2cncn2)C1 ZINC000657842084 411610379 /nfs/dbraw/zinc/61/03/79/411610379.db2.gz TUWHFBAHOBWZOI-VXGBXAGGSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@H](C)Cn2cncn2)C1 ZINC000657842084 411610381 /nfs/dbraw/zinc/61/03/81/411610381.db2.gz TUWHFBAHOBWZOI-VXGBXAGGSA-N 1 3 237.351 0.598 20 0 BCADHO C(N[C@H]1CC[NH2+]C1)c1nc2c(s1)CNCC2 ZINC000663494060 411672936 /nfs/dbraw/zinc/67/29/36/411672936.db2.gz LORTURLFNDXIJD-QMMMGPOBSA-N 1 3 238.360 0.240 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)[C@@H](C)CCO ZINC000660920168 411673261 /nfs/dbraw/zinc/67/32/61/411673261.db2.gz ONXHDHFTJMUOML-NWDGAFQWSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)CCO ZINC000660920168 411673262 /nfs/dbraw/zinc/67/32/62/411673262.db2.gz ONXHDHFTJMUOML-NWDGAFQWSA-N 1 3 232.368 0.390 20 0 BCADHO C[C@@H](CC[NH3+])NCc1nc2c(s1)CNCC2 ZINC000663495657 411675467 /nfs/dbraw/zinc/67/54/67/411675467.db2.gz ADSIGNZBLFIITK-QMMMGPOBSA-N 1 3 240.376 0.616 20 0 BCADHO C[NH2+]C[C@@H](C)NCc1nc2c(s1)CNCC2 ZINC000663514667 411694360 /nfs/dbraw/zinc/69/43/60/411694360.db2.gz RYBUBWAWXJDDKZ-MRVPVSSYSA-N 1 3 240.376 0.486 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1CCC(CO)(CO)C1 ZINC000661948262 411918570 /nfs/dbraw/zinc/91/85/70/411918570.db2.gz NPLPSDGYLOTXQW-LBPRGKRZSA-N 1 3 242.363 0.147 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1CCC(CO)(CO)C1 ZINC000661948262 411918573 /nfs/dbraw/zinc/91/85/73/411918573.db2.gz NPLPSDGYLOTXQW-LBPRGKRZSA-N 1 3 242.363 0.147 20 0 BCADHO C[C@@H](CO)C[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662153147 412008501 /nfs/dbraw/zinc/00/85/01/412008501.db2.gz OIGQVLOKSKXICT-YPMHNXCESA-N 1 3 242.363 0.146 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](N)CC ZINC000664719059 412014674 /nfs/dbraw/zinc/01/46/74/412014674.db2.gz LTVRJHYAIVUYPG-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](N)CC ZINC000664719059 412014678 /nfs/dbraw/zinc/01/46/78/412014678.db2.gz LTVRJHYAIVUYPG-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO COC[C@H](C[N@H+](C)C1CCNCC1)OC ZINC000662238455 412035051 /nfs/dbraw/zinc/03/50/51/412035051.db2.gz QBJVMNWNGJVOPO-NSHDSACASA-N 1 3 216.325 0.332 20 0 BCADHO COC[C@H](C[N@@H+](C)C1CCNCC1)OC ZINC000662238455 412035053 /nfs/dbraw/zinc/03/50/53/412035053.db2.gz QBJVMNWNGJVOPO-NSHDSACASA-N 1 3 216.325 0.332 20 0 BCADHO [NH3+]C[C@@H]1CCCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662243701 412039189 /nfs/dbraw/zinc/03/91/89/412039189.db2.gz OXZNUPZQHXXMOK-RYUDHWBXSA-N 1 3 239.363 0.321 20 0 BCADHO CN(C[C@@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248469 412046172 /nfs/dbraw/zinc/04/61/72/412046172.db2.gz CGQQAVDVMAKIRS-RYUDHWBXSA-N 1 3 240.347 0.618 20 0 BCADHO C[C@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254627 412048521 /nfs/dbraw/zinc/04/85/21/412048521.db2.gz QVVOCDWDHYXCID-WDEREUQCSA-N 1 3 210.321 0.849 20 0 BCADHO C[C@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254627 412048523 /nfs/dbraw/zinc/04/85/23/412048523.db2.gz QVVOCDWDHYXCID-WDEREUQCSA-N 1 3 210.321 0.849 20 0 BCADHO CCOCCN(CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255044 412048575 /nfs/dbraw/zinc/04/85/75/412048575.db2.gz VZWKXYIQLVHQKX-GFCCVEGCSA-N 1 3 242.363 0.866 20 0 BCADHO CCOCC[N@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662255044 412048581 /nfs/dbraw/zinc/04/85/81/412048581.db2.gz VZWKXYIQLVHQKX-GFCCVEGCSA-N 1 3 242.363 0.866 20 0 BCADHO CCOCC[N@@H+](CC)C[C@H]1CCC2(CNC2)O1 ZINC000662255044 412048583 /nfs/dbraw/zinc/04/85/83/412048583.db2.gz VZWKXYIQLVHQKX-GFCCVEGCSA-N 1 3 242.363 0.866 20 0 BCADHO CC[N@H+](CCCO)C[C@H]1CCC2(CNC2)O1 ZINC000662256286 412051277 /nfs/dbraw/zinc/05/12/77/412051277.db2.gz KIRRKGFGAPJUTR-LLVKDONJSA-N 1 3 228.336 0.212 20 0 BCADHO CC[N@@H+](CCCO)C[C@H]1CCC2(CNC2)O1 ZINC000662256286 412051279 /nfs/dbraw/zinc/05/12/79/412051279.db2.gz KIRRKGFGAPJUTR-LLVKDONJSA-N 1 3 228.336 0.212 20 0 BCADHO C[N@H+](C[C@H]1CCOC1)C[C@H]1CCC2(CNC2)O1 ZINC000662259245 412052940 /nfs/dbraw/zinc/05/29/40/412052940.db2.gz SRJQMGODKALNDH-VXGBXAGGSA-N 1 3 240.347 0.476 20 0 BCADHO C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCC2(CNC2)O1 ZINC000662259245 412052942 /nfs/dbraw/zinc/05/29/42/412052942.db2.gz SRJQMGODKALNDH-VXGBXAGGSA-N 1 3 240.347 0.476 20 0 BCADHO CN1CCC[C@@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662272137 412063612 /nfs/dbraw/zinc/06/36/12/412063612.db2.gz KMQNRGCOBHJNSB-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000375848637 171099088 /nfs/dbraw/zinc/09/90/88/171099088.db2.gz LFTMRJUSFLDXCP-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000335409106 171149456 /nfs/dbraw/zinc/14/94/56/171149456.db2.gz AGIYBSIJDNYJQR-NEPJUHHUSA-N 1 3 239.363 0.585 20 0 BCADHO CN(CC[C@H]1CCCCO1)C[C@@H](O)C[NH3+] ZINC000662276555 412069173 /nfs/dbraw/zinc/06/91/73/412069173.db2.gz KJMMHEYNGOIEGI-WDEREUQCSA-N 1 3 216.325 0.197 20 0 BCADHO C[N@H+](CC[C@H]1CCCCO1)C[C@@H](O)CN ZINC000662276555 412069177 /nfs/dbraw/zinc/06/91/77/412069177.db2.gz KJMMHEYNGOIEGI-WDEREUQCSA-N 1 3 216.325 0.197 20 0 BCADHO C[N@@H+](CC[C@H]1CCCCO1)C[C@@H](O)CN ZINC000662276555 412069181 /nfs/dbraw/zinc/06/91/81/412069181.db2.gz KJMMHEYNGOIEGI-WDEREUQCSA-N 1 3 216.325 0.197 20 0 BCADHO CC[C@@]1(C)C[C@H]1C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374593481 171207090 /nfs/dbraw/zinc/20/70/90/171207090.db2.gz MVLIXGHDEUADAM-NOHGZBONSA-N 1 3 238.331 0.622 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)N(C)C ZINC000248587562 171225766 /nfs/dbraw/zinc/22/57/66/171225766.db2.gz GMTSEJAMHGJFDY-FIQHERPVSA-N 1 3 239.363 0.522 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)N(C)C ZINC000186921847 171225912 /nfs/dbraw/zinc/22/59/12/171225912.db2.gz GMTSEJAMHGJFDY-WHOHXGKFSA-N 1 3 239.363 0.522 20 0 BCADHO C[NH2+]CCCN(C)C[C@H]1CCC2(CNC2)O1 ZINC000662281555 412072835 /nfs/dbraw/zinc/07/28/35/412072835.db2.gz NUBIUKCSJPOZIK-LLVKDONJSA-N 1 3 227.352 0.049 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]C)N(CC)CC ZINC000339136287 171229720 /nfs/dbraw/zinc/22/97/20/171229720.db2.gz JTPRRWIBDOQTTK-WDEREUQCSA-N 1 3 229.368 0.831 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)N(C)C ZINC000346134257 171232614 /nfs/dbraw/zinc/23/26/14/171232614.db2.gz BZYRBRXOTBXKEW-NXEZZACHSA-N 1 3 215.341 0.393 20 0 BCADHO COC[C@H](CN1CC[C@@H](C)[C@H](C[NH3+])C1)OC ZINC000662282621 412073240 /nfs/dbraw/zinc/07/32/40/412073240.db2.gz PDQFWEYNNFHKQX-UTUOFQBUSA-N 1 3 230.352 0.565 20 0 BCADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CNCCO2)C[C@@H]1C[NH3+] ZINC000662282401 412073279 /nfs/dbraw/zinc/07/32/79/412073279.db2.gz HEZBNYMWEDDTTK-VOAKCMCISA-N 1 3 241.379 0.280 20 0 BCADHO CC[C@H](C(N)=O)N1CCC(CC[NH2+]C)CC1 ZINC000069730510 171243479 /nfs/dbraw/zinc/24/34/79/171243479.db2.gz TUKAORZQACGHLE-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662283291 412074887 /nfs/dbraw/zinc/07/48/87/412074887.db2.gz HCJVMMTZUNCUHU-GRYCIOLGSA-N 1 3 239.363 0.319 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCCN1 ZINC000226396544 171306610 /nfs/dbraw/zinc/30/66/10/171306610.db2.gz OMWRWJZMLODALI-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1 ZINC000226396544 171306611 /nfs/dbraw/zinc/30/66/11/171306611.db2.gz OMWRWJZMLODALI-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCN1CC[C@@H](N2CCC(CC[NH3+])CC2)C1=O ZINC000662285056 412078180 /nfs/dbraw/zinc/07/81/80/412078180.db2.gz VKDLGWFSIZORDJ-GFCCVEGCSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)OCCCNC1(CO)CC[NH2+]CC1 ZINC000662285922 412078287 /nfs/dbraw/zinc/07/82/87/412078287.db2.gz AJCFQCDWZRETPY-UHFFFAOYSA-N 1 3 230.352 0.506 20 0 BCADHO CC[C@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514416 171333696 /nfs/dbraw/zinc/33/36/96/171333696.db2.gz MSRJWOZMLCSYIG-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000375255224 171370281 /nfs/dbraw/zinc/37/02/81/171370281.db2.gz DMRBEGHKNLMXCL-KKJSVHSVSA-N 1 3 239.363 0.841 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807184 171371226 /nfs/dbraw/zinc/37/12/26/171371226.db2.gz JQBLLONYWZTMPB-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309004420 171371771 /nfs/dbraw/zinc/37/17/71/171371771.db2.gz PFIZNFTVLGIJMH-XHNCKOQMSA-N 1 3 201.314 0.071 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCC[NH+](C)C ZINC000011959309 171393958 /nfs/dbraw/zinc/39/39/58/171393958.db2.gz UFPGKKCEKGXULP-UWVGGRQHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000134105446 171394340 /nfs/dbraw/zinc/39/43/40/171394340.db2.gz XBTQQLFEDXMCAZ-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368104653 171394555 /nfs/dbraw/zinc/39/45/55/171394555.db2.gz IKQJXNCJNZKQOA-BJDJZHNGSA-N 1 3 239.363 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[NH2+]C ZINC000308979004 171394970 /nfs/dbraw/zinc/39/49/70/171394970.db2.gz HLHFHEWQAKHUHE-CIUDSAMLSA-N 1 3 201.314 0.084 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000040469075 171394992 /nfs/dbraw/zinc/39/49/92/171394992.db2.gz FVDNLMRZZJWPRH-GUBZILKMSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000019480116 171395089 /nfs/dbraw/zinc/39/50/89/171395089.db2.gz VCLGQFZCLYCOTD-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000019480116 171395091 /nfs/dbraw/zinc/39/50/91/171395091.db2.gz VCLGQFZCLYCOTD-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309004417 171395587 /nfs/dbraw/zinc/39/55/87/171395587.db2.gz PFIZNFTVLGIJMH-CIUDSAMLSA-N 1 3 201.314 0.071 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000662387166 412140823 /nfs/dbraw/zinc/14/08/23/412140823.db2.gz ITWWLEWYZVRGFT-TUAOUCFPSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303112 412086500 /nfs/dbraw/zinc/08/65/00/412086500.db2.gz SQNRNDHRPQKCSU-XQQFMLRXSA-N 1 3 242.363 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303112 412086504 /nfs/dbraw/zinc/08/65/04/412086504.db2.gz SQNRNDHRPQKCSU-XQQFMLRXSA-N 1 3 242.363 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303112 412086507 /nfs/dbraw/zinc/08/65/07/412086507.db2.gz SQNRNDHRPQKCSU-XQQFMLRXSA-N 1 3 242.363 0.315 20 0 BCADHO CN1CCN(CC[C@H]2CCC[NH2+]C2)CCC1=O ZINC000662313083 412094214 /nfs/dbraw/zinc/09/42/14/412094214.db2.gz JJMMYVCFEMSZGZ-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@@H]1CCN(CCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000662315250 412095806 /nfs/dbraw/zinc/09/58/06/412095806.db2.gz QZQVNXVVVYMKMF-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662393082 412143292 /nfs/dbraw/zinc/14/32/92/412143292.db2.gz ATNROOSFXFYXQM-SECBINFHSA-N 1 3 223.320 0.221 20 0 BCADHO N[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323887 412103012 /nfs/dbraw/zinc/10/30/12/412103012.db2.gz TUJJKRWZJMAKGO-GMTAPVOTSA-N 1 3 215.316 0.357 20 0 BCADHO NCc1cccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662393117 412143320 /nfs/dbraw/zinc/14/33/20/412143320.db2.gz PAYKMAIFCDSJQI-NWDGAFQWSA-N 1 3 249.314 0.448 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN(C)CC1 ZINC000662357052 412121512 /nfs/dbraw/zinc/12/15/12/412121512.db2.gz SMDNOCQOCIJPEA-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC1CCN(C)CC1 ZINC000662357051 412121621 /nfs/dbraw/zinc/12/16/21/412121621.db2.gz SMDNOCQOCIJPEA-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN(C2CC2)CC1 ZINC000662365544 412125543 /nfs/dbraw/zinc/12/55/43/412125543.db2.gz UBGOCRFEKRFCQG-GFCCVEGCSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000662451117 412179601 /nfs/dbraw/zinc/17/96/01/412179601.db2.gz ZSIZFHQQNPMAIS-UTUOFQBUSA-N 1 3 241.379 0.973 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000662454554 412181742 /nfs/dbraw/zinc/18/17/42/412181742.db2.gz NVSLEFPSHFBQIU-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO Cc1nc(CN)ccc1[C@H](C)N[C@H]1CC[NH2+]C1 ZINC000665241464 412185273 /nfs/dbraw/zinc/18/52/73/412185273.db2.gz NDLIVJIMNJPYGU-JQWIXIFHSA-N 1 3 234.347 0.861 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665244056 412187587 /nfs/dbraw/zinc/18/75/87/412187587.db2.gz FSXANZXUBQVJPR-LNFKQOIKSA-N 1 3 216.325 0.363 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1C ZINC000662474812 412188159 /nfs/dbraw/zinc/18/81/59/412188159.db2.gz CSBZQVLPBFQWOV-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665246521 412191496 /nfs/dbraw/zinc/19/14/96/412191496.db2.gz HNIDRWNNSPSOKG-JTQLQIEISA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000662496827 412195817 /nfs/dbraw/zinc/19/58/17/412195817.db2.gz BWZXMRHNENHEEB-PWSUYJOCSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000662515935 412201512 /nfs/dbraw/zinc/20/15/12/412201512.db2.gz VEWAWONSHBIGIR-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH+](C)CCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662517136 412202820 /nfs/dbraw/zinc/20/28/20/412202820.db2.gz ROFYSHINSHDAKM-CYBMUJFWSA-N 1 3 247.342 0.899 20 0 BCADHO CCCN1CC[C@@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000665274094 412215304 /nfs/dbraw/zinc/21/53/04/412215304.db2.gz JLPWNPAWDHDUST-ZYHUDNBSSA-N 1 3 211.353 0.668 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665262138 412205687 /nfs/dbraw/zinc/20/56/87/412205687.db2.gz VDAWNOAPKRAMCT-FDYHWXHSSA-N 1 3 242.363 0.504 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662548397 412211010 /nfs/dbraw/zinc/21/10/10/412211010.db2.gz DXXYMIWMFKUOND-MFKMUULPSA-N 1 3 247.342 0.932 20 0 BCADHO CCC[NH2+]CCNC(=O)CNC(C)C ZINC000662550703 412212635 /nfs/dbraw/zinc/21/26/35/412212635.db2.gz JZORPPKYHNLJFC-UHFFFAOYSA-N 1 3 201.314 0.100 20 0 BCADHO C[NH2+]CCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662398062 412147914 /nfs/dbraw/zinc/14/79/14/412147914.db2.gz NJATXGBRLYWAKY-UHFFFAOYSA-N 1 3 225.336 0.374 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000662404204 412150943 /nfs/dbraw/zinc/15/09/43/412150943.db2.gz QVHVITVVPKBLQF-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000662404204 412150948 /nfs/dbraw/zinc/15/09/48/412150948.db2.gz QVHVITVVPKBLQF-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000662404204 412150950 /nfs/dbraw/zinc/15/09/50/412150950.db2.gz QVHVITVVPKBLQF-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662403458 412151068 /nfs/dbraw/zinc/15/10/68/412151068.db2.gz DCERGZXRUNUSKI-AAEUAGOBSA-N 1 3 245.326 0.781 20 0 BCADHO NC1(C(=O)N2CC[C@@H](C[NH3+])C2)CC2(CCC2)C1 ZINC000662406893 412152001 /nfs/dbraw/zinc/15/20/01/412152001.db2.gz MGRZISHDTHISGV-JTQLQIEISA-N 1 3 237.347 0.455 20 0 BCADHO C[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@H](C)N1 ZINC000662415597 412157581 /nfs/dbraw/zinc/15/75/81/412157581.db2.gz IAIPPIQVRKGSNP-DTORHVGOSA-N 1 3 211.309 0.077 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662419157 412159733 /nfs/dbraw/zinc/15/97/33/412159733.db2.gz DYVZKBCWSXQTNZ-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO COC[C@H](CC[NH2+][C@@H]1CCC[C@@H]1CN)OC ZINC000665235487 412173989 /nfs/dbraw/zinc/17/39/89/412173989.db2.gz WRGBCGHJGZMBEI-GRYCIOLGSA-N 1 3 230.352 0.755 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676290 412267157 /nfs/dbraw/zinc/26/71/57/412267157.db2.gz UMFQTPGHOSXKQF-HUXNSBQSSA-N 1 3 225.336 0.310 20 0 BCADHO CCCN(C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680683 412268666 /nfs/dbraw/zinc/26/86/66/412268666.db2.gz YOWTVXZMIUZBII-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662681165 412269489 /nfs/dbraw/zinc/26/94/89/412269489.db2.gz VPCYDFLXVVGOSJ-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](NC)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000662688306 412271659 /nfs/dbraw/zinc/27/16/59/412271659.db2.gz OAGYRNSJVNFPFO-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](NC)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000662688306 412271662 /nfs/dbraw/zinc/27/16/62/412271662.db2.gz OAGYRNSJVNFPFO-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662701745 412276036 /nfs/dbraw/zinc/27/60/36/412276036.db2.gz UWDMWCXBSKPXEB-DCAQKATOSA-N 1 3 225.336 0.182 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662711296 412279454 /nfs/dbraw/zinc/27/94/54/412279454.db2.gz BBGYGLQYXNUGMQ-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(N)C(F)(F)F ZINC000662731185 412287121 /nfs/dbraw/zinc/28/71/21/412287121.db2.gz ZKPOWFMHFIQEBT-RNFRBKRXSA-N 1 3 241.257 0.366 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000662555202 412216275 /nfs/dbraw/zinc/21/62/75/412216275.db2.gz ZOOCQYWLLGDIFQ-XWLWVQCSSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)c1cc2c(s1)CCNC2 ZINC000662558937 412217334 /nfs/dbraw/zinc/21/73/34/412217334.db2.gz MXEXSYBYQZGCJU-SSDOTTSWSA-N 1 3 239.344 0.471 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000665278339 412220467 /nfs/dbraw/zinc/22/04/67/412220467.db2.gz BLUCJANWLOGCIZ-QTAHKJALSA-N 1 3 210.321 0.896 20 0 BCADHO C[C@H]1CN(C)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277653 412220841 /nfs/dbraw/zinc/22/08/41/412220841.db2.gz HNDOBKNJDGTHRN-UZEXVOJHSA-N 1 3 209.337 0.278 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277949 412221412 /nfs/dbraw/zinc/22/14/12/412221412.db2.gz QGXBRQKYLRCHPI-AKXGODRKSA-N 1 3 235.375 0.811 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662565931 412221484 /nfs/dbraw/zinc/22/14/84/412221484.db2.gz ASXGSMHGCKCVSS-IUCAKERBSA-N 1 3 233.315 0.755 20 0 BCADHO C[C@@H]1COCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280340 412224494 /nfs/dbraw/zinc/22/44/94/412224494.db2.gz ZGLGVODRSYBOAJ-ZYGVAYEYSA-N 1 3 210.321 0.753 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000662575961 412225779 /nfs/dbraw/zinc/22/57/79/412225779.db2.gz XMFXIBIIQSVHQU-GUBZILKMSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592164 412233577 /nfs/dbraw/zinc/23/35/77/412233577.db2.gz XOBYIEJNVOTVPA-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000665296665 412243022 /nfs/dbraw/zinc/24/30/22/412243022.db2.gz WCJGXVKCNCGIJQ-AXFHLTTASA-N 1 3 211.353 0.809 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622311 412244399 /nfs/dbraw/zinc/24/43/99/412244399.db2.gz QKPUPFQIKBHSKI-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622311 412244400 /nfs/dbraw/zinc/24/44/00/412244400.db2.gz QKPUPFQIKBHSKI-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632327 412247369 /nfs/dbraw/zinc/24/73/69/412247369.db2.gz BZSZXKKHUYOPFZ-ZYHUDNBSSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665299740 412247725 /nfs/dbraw/zinc/24/77/25/412247725.db2.gz RXEVCQHPHKHSIB-GMTAPVOTSA-N 1 3 248.392 0.527 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)S(C)(=O)=O ZINC000665299740 412247728 /nfs/dbraw/zinc/24/77/28/412247728.db2.gz RXEVCQHPHKHSIB-GMTAPVOTSA-N 1 3 248.392 0.527 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795125 412305175 /nfs/dbraw/zinc/30/51/75/412305175.db2.gz XAQWVDNWXXWZMI-FIQHERPVSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000662832057 412315260 /nfs/dbraw/zinc/31/52/60/412315260.db2.gz IIUGNOLHKUWYFZ-VHSXEESVSA-N 1 3 213.325 0.323 20 0 BCADHO [NH3+]CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662839332 412316866 /nfs/dbraw/zinc/31/68/66/412316866.db2.gz PVTORPIFEXRCSL-MNOVXSKESA-N 1 3 225.336 0.468 20 0 BCADHO [NH3+]CCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662839333 412316981 /nfs/dbraw/zinc/31/69/81/412316981.db2.gz PVTORPIFEXRCSL-QWRGUYRKSA-N 1 3 225.336 0.468 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H]1CNCCC1(F)F ZINC000662844844 412319438 /nfs/dbraw/zinc/31/94/38/412319438.db2.gz FWZLTLBKFWUXNV-MRVPVSSYSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)[NH+](C)C ZINC000662858712 412326822 /nfs/dbraw/zinc/32/68/22/412326822.db2.gz HPYHJYLVTVEZHM-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO [NH3+]C1(CNC(=O)[C@@H]2CCCCN2)CCCC1 ZINC000662864957 412330041 /nfs/dbraw/zinc/33/00/41/412330041.db2.gz IYXKUWRNNWOJKC-JTQLQIEISA-N 1 3 225.336 0.516 20 0 BCADHO [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCCCN1 ZINC000662877029 412333264 /nfs/dbraw/zinc/33/32/64/412333264.db2.gz NLKPRBZELCIVHZ-SQLBVSGCSA-N 1 3 223.320 0.078 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662914087 412343883 /nfs/dbraw/zinc/34/38/83/412343883.db2.gz WSKGXKWLRBOQEV-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](C)C[NH2+]C ZINC000662953949 412353898 /nfs/dbraw/zinc/35/38/98/412353898.db2.gz RRGVELSHVZRWFY-PSASIEDQSA-N 1 3 201.314 0.228 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000662965162 412357446 /nfs/dbraw/zinc/35/74/46/412357446.db2.gz IDOUFDQTKICAMA-VHSXEESVSA-N 1 3 215.341 0.297 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)c1cccc2c1CNC2 ZINC000662970140 412360500 /nfs/dbraw/zinc/36/05/00/412360500.db2.gz VDQKDJBSBHFVGD-SECBINFHSA-N 1 3 233.315 0.628 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662747934 412289685 /nfs/dbraw/zinc/28/96/85/412289685.db2.gz HFSPMMGGTCOEAB-NXEZZACHSA-N 1 3 231.315 0.224 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662746576 412290035 /nfs/dbraw/zinc/29/00/35/412290035.db2.gz QAJDMTBYIOXLEH-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CC[C@@H](C)C1 ZINC000662747478 412290412 /nfs/dbraw/zinc/29/04/12/412290412.db2.gz ZAECHNOSKVOILM-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662747290 412290420 /nfs/dbraw/zinc/29/04/20/412290420.db2.gz YZYWPXZIPVMLGK-KKOKHZNYSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000662754486 412290808 /nfs/dbraw/zinc/29/08/08/412290808.db2.gz PCYMLEPBLIOMRM-XWLWVQCSSA-N 1 3 237.347 0.465 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000662754484 412290976 /nfs/dbraw/zinc/29/09/76/412290976.db2.gz PCYMLEPBLIOMRM-GWOFURMSSA-N 1 3 237.347 0.465 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662754357 412291629 /nfs/dbraw/zinc/29/16/29/412291629.db2.gz LMQOSCTXAVMFGX-GXSJLCMTSA-N 1 3 237.347 0.467 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N(C)C1CCN(C)CC1 ZINC000662767864 412296044 /nfs/dbraw/zinc/29/60/44/412296044.db2.gz YACUEPFWGKEOGI-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000662767809 412296282 /nfs/dbraw/zinc/29/62/82/412296282.db2.gz XMVPFQFMSVXNBV-MGCOHNPYSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000662774184 412298389 /nfs/dbraw/zinc/29/83/89/412298389.db2.gz LZYWVLCVUXJIDX-VHSXEESVSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000662776694 412299198 /nfs/dbraw/zinc/29/91/98/412299198.db2.gz YPTOPQBHNCXHGS-AEJSXWLSSA-N 1 3 213.325 0.193 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNc1cnccn1 ZINC000422883179 412299316 /nfs/dbraw/zinc/29/93/16/412299316.db2.gz BUAFYRIKIQZVES-RYUDHWBXSA-N 1 3 249.362 0.996 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000422883179 412299319 /nfs/dbraw/zinc/29/93/19/412299319.db2.gz BUAFYRIKIQZVES-RYUDHWBXSA-N 1 3 249.362 0.996 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000662782353 412300940 /nfs/dbraw/zinc/30/09/40/412300940.db2.gz ZAFKEQUJNHZOAV-AATLWQCWSA-N 1 3 213.325 0.097 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662788008 412302861 /nfs/dbraw/zinc/30/28/61/412302861.db2.gz FPJCHHVFKRPWER-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCNc2cnccn2)C1 ZINC000572542007 412303083 /nfs/dbraw/zinc/30/30/83/412303083.db2.gz PZMZOFHJBNSQBK-QWRGUYRKSA-N 1 3 235.335 0.748 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N(CCOC)CCN(C)C ZINC000662791260 412304202 /nfs/dbraw/zinc/30/42/02/412304202.db2.gz PQSYCFNTUONPMD-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO C[C@@]1(NC(=O)C[C@@H](N)c2ccccc2)CC[NH2+]C1 ZINC000663012763 412370885 /nfs/dbraw/zinc/37/08/85/412370885.db2.gz YUPQWAKAXXWGFG-TZMCWYRMSA-N 1 3 247.342 0.945 20 0 BCADHO CN(C(=O)CN1CCC[C@H](CC[NH3+])C1)C1CC1 ZINC000070074167 172307847 /nfs/dbraw/zinc/30/78/47/172307847.db2.gz HBDNQSMOTYROIK-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CN(C(=O)[C@@H](N)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178409290 172325015 /nfs/dbraw/zinc/32/50/15/172325015.db2.gz OGHSTWXVCAEDLF-OLZOCXBDSA-N 1 3 247.342 0.377 20 0 BCADHO CN(C(=O)[C@H](N)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178409363 172331391 /nfs/dbraw/zinc/33/13/91/172331391.db2.gz OGHSTWXVCAEDLF-CHWSQXEVSA-N 1 3 247.342 0.377 20 0 BCADHO CN(C(=O)[C@H](CN)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000179061938 172332094 /nfs/dbraw/zinc/33/20/94/172332094.db2.gz YYMRFGJTXNJMKO-CHWSQXEVSA-N 1 3 247.342 0.549 20 0 BCADHO CN(C)C(=O)CC[NH+]1CCC(N(C)C)CC1 ZINC000353855456 172358683 /nfs/dbraw/zinc/35/86/83/172358683.db2.gz NCSFCAMWFDVUPG-UHFFFAOYSA-N 1 3 227.352 0.491 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCCCN1 ZINC000040807121 172394676 /nfs/dbraw/zinc/39/46/76/172394676.db2.gz UICYULIAYSCLPK-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)C(N)C(F)(F)F ZINC000353462958 172395320 /nfs/dbraw/zinc/39/53/20/172395320.db2.gz URFAYIRBROTBJE-LURJTMIESA-N 1 3 241.257 0.332 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000094647225 487624921 /nfs/dbraw/zinc/62/49/21/487624921.db2.gz IEZWQPCJFDCHAF-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+](CCO)C1CC1 ZINC000305115249 173027950 /nfs/dbraw/zinc/02/79/50/173027950.db2.gz JWHIGELVCQWXPE-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+](CCO)C1CC1 ZINC000305115249 173027952 /nfs/dbraw/zinc/02/79/52/173027952.db2.gz JWHIGELVCQWXPE-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000226394211 173029846 /nfs/dbraw/zinc/02/98/46/173029846.db2.gz GPANPSBEYOBSPM-PWSUYJOCSA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000227424836 173031564 /nfs/dbraw/zinc/03/15/64/173031564.db2.gz XXQABRKUHWBNPB-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262926 173033677 /nfs/dbraw/zinc/03/36/77/173033677.db2.gz RRHFEBNWZHQZOO-MNOVXSKESA-N 1 3 237.347 0.563 20 0 BCADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262926 173033679 /nfs/dbraw/zinc/03/36/79/173033679.db2.gz RRHFEBNWZHQZOO-MNOVXSKESA-N 1 3 237.347 0.563 20 0 BCADHO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262928 173059395 /nfs/dbraw/zinc/05/93/95/173059395.db2.gz RRHFEBNWZHQZOO-WDEREUQCSA-N 1 3 237.347 0.563 20 0 BCADHO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(N)CC1 ZINC000371262928 173059397 /nfs/dbraw/zinc/05/93/97/173059397.db2.gz RRHFEBNWZHQZOO-WDEREUQCSA-N 1 3 237.347 0.563 20 0 BCADHO CNC(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374180356 173274332 /nfs/dbraw/zinc/27/43/32/173274332.db2.gz ZXWGLRXBDVSDLP-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CNC(=O)[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000042394242 173307413 /nfs/dbraw/zinc/30/74/13/173307413.db2.gz JYPOVVDNVJMRTK-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000037826032 173324966 /nfs/dbraw/zinc/32/49/66/173324966.db2.gz TVZPOKMQSSFGPU-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO CNCC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000037826032 173324968 /nfs/dbraw/zinc/32/49/68/173324968.db2.gz TVZPOKMQSSFGPU-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000249418004 173325558 /nfs/dbraw/zinc/32/55/58/173325558.db2.gz DCWOANOVQADHIX-NXEZZACHSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000249418004 173325559 /nfs/dbraw/zinc/32/55/59/173325559.db2.gz DCWOANOVQADHIX-NXEZZACHSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000373041222 173325980 /nfs/dbraw/zinc/32/59/80/173325980.db2.gz YPWDEVOXWZPGKF-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366450138 173326833 /nfs/dbraw/zinc/32/68/33/173326833.db2.gz OUMBQQQFGDTPPY-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237215799 173328726 /nfs/dbraw/zinc/32/87/26/173328726.db2.gz LSFHWXWZQZXZCD-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000237215799 173328727 /nfs/dbraw/zinc/32/87/27/173328727.db2.gz LSFHWXWZQZXZCD-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670582 173329820 /nfs/dbraw/zinc/32/98/20/173329820.db2.gz HEHFASOARAUEDW-AAEUAGOBSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CC1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000063166196 173338292 /nfs/dbraw/zinc/33/82/92/173338292.db2.gz FKFICAUYJMWMNN-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCC(=O)NC1CCN(C2CC2)CC1 ZINC000043604196 173339858 /nfs/dbraw/zinc/33/98/58/173339858.db2.gz IUKSMSGWAYEIBH-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]CCC(=O)NCc1ccccc1CN(C)C ZINC000049844438 173341120 /nfs/dbraw/zinc/34/11/20/173341120.db2.gz YBIGWSGCEQHYQW-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO C[NH2+]CCCC(=O)N(C)C1CCN(C)CC1 ZINC000037477542 173343410 /nfs/dbraw/zinc/34/34/10/173343410.db2.gz NOPZOAJQIAILIV-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCCC1 ZINC000037477713 173343815 /nfs/dbraw/zinc/34/38/15/173343815.db2.gz MLEDVCIXEUFTDK-UHFFFAOYSA-N 1 3 213.325 0.198 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000226398479 173344581 /nfs/dbraw/zinc/34/45/81/173344581.db2.gz NEMIGWVYPNVOLD-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000069803229 173351932 /nfs/dbraw/zinc/35/19/32/173351932.db2.gz FNHJRMBQTBFJRK-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000237058127 173355331 /nfs/dbraw/zinc/35/53/31/173355331.db2.gz VYIVQXITMRXDES-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000237147753 173362689 /nfs/dbraw/zinc/36/26/89/173362689.db2.gz GMAORGXHHLVFIS-NEPJUHHUSA-N 1 3 241.379 0.642 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000092132818 173363259 /nfs/dbraw/zinc/36/32/59/173363259.db2.gz AXNCPKAZJCHMCE-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367370351 173364036 /nfs/dbraw/zinc/36/40/36/173364036.db2.gz CPJWSWXSDNSPDC-SECBINFHSA-N 1 3 248.330 0.521 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C[C@@H]2CCOC2)C1 ZINC000042361205 173368187 /nfs/dbraw/zinc/36/81/87/173368187.db2.gz MQDFOZCJPQZQOS-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000042361205 173368189 /nfs/dbraw/zinc/36/81/89/173368189.db2.gz MQDFOZCJPQZQOS-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000042361205 173368190 /nfs/dbraw/zinc/36/81/90/173368190.db2.gz MQDFOZCJPQZQOS-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000237281579 173373540 /nfs/dbraw/zinc/37/35/40/173373540.db2.gz GMAORGXHHLVFIS-NWDGAFQWSA-N 1 3 241.379 0.642 20 0 BCADHO COC(C)(C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000300970946 173952626 /nfs/dbraw/zinc/95/26/26/173952626.db2.gz JFWNWGHNTXQCQF-NSHDSACASA-N 1 3 232.368 0.968 20 0 BCADHO COCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000036907475 174338814 /nfs/dbraw/zinc/33/88/14/174338814.db2.gz GXBHJFXQMYMVDO-GMTAPVOTSA-N 1 3 200.326 0.951 20 0 BCADHO COCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000036907475 174338817 /nfs/dbraw/zinc/33/88/17/174338817.db2.gz GXBHJFXQMYMVDO-GMTAPVOTSA-N 1 3 200.326 0.951 20 0 BCADHO C[C@@H]1CNC[C@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640265 487629104 /nfs/dbraw/zinc/62/91/04/487629104.db2.gz GXJPQWPYXWILKB-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(CCN(C)C)C1CCCC1 ZINC000054342106 175704816 /nfs/dbraw/zinc/70/48/16/175704816.db2.gz MHLZKDZLQCPWSN-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)CCC[NH3+] ZINC000237677668 176070504 /nfs/dbraw/zinc/07/05/04/176070504.db2.gz CAGFTMWFJLENJB-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000237399900 176098310 /nfs/dbraw/zinc/09/83/10/176098310.db2.gz LKXQVZZCFGWZCB-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000237399900 176098312 /nfs/dbraw/zinc/09/83/12/176098312.db2.gz LKXQVZZCFGWZCB-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336343916 176166458 /nfs/dbraw/zinc/16/64/58/176166458.db2.gz CWGFRCYRYGTVBG-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336343916 176166460 /nfs/dbraw/zinc/16/64/60/176166460.db2.gz CWGFRCYRYGTVBG-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127070345 176186286 /nfs/dbraw/zinc/18/62/86/176186286.db2.gz YYIWMPNUTWAXJA-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127069882 176187271 /nfs/dbraw/zinc/18/72/71/176187271.db2.gz YYIWMPNUTWAXJA-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000367509399 176187722 /nfs/dbraw/zinc/18/77/22/176187722.db2.gz ZCCZLRZWMCRNER-DNRKLUKYSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000237401905 176244553 /nfs/dbraw/zinc/24/45/53/176244553.db2.gz HRLXSEWEJMNBSS-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCOCCN(C)C ZINC000336777716 176271882 /nfs/dbraw/zinc/27/18/82/176271882.db2.gz JIEFUJYDPPAGEF-NEPJUHHUSA-N 1 3 229.368 0.104 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC(=O)N(C)C ZINC000037751911 176278021 /nfs/dbraw/zinc/27/80/21/176278021.db2.gz KDNWHEHKQPFKGQ-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC(=O)N(C)C ZINC000037751911 176278022 /nfs/dbraw/zinc/27/80/22/176278022.db2.gz KDNWHEHKQPFKGQ-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000246572423 176323243 /nfs/dbraw/zinc/32/32/43/176323243.db2.gz SSHLECNLALBECW-GRYCIOLGSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000226403423 176373377 /nfs/dbraw/zinc/37/33/77/176373377.db2.gz XFKIVMXRIBYQGM-MDZLAQPJSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](O)CN1CC[C@H]1CCC[N@@H+]1C ZINC000336647261 176383505 /nfs/dbraw/zinc/38/35/05/176383505.db2.gz LWBQZYOOKAZLRG-IJLUTSLNSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1C[C@@H](O)CN1CC[C@H]1CCC[N@H+]1C ZINC000336647261 176383506 /nfs/dbraw/zinc/38/35/06/176383506.db2.gz LWBQZYOOKAZLRG-IJLUTSLNSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H](CNC(=O)/C=C/CN(C)C)C[NH+](C)C ZINC000293749923 176670977 /nfs/dbraw/zinc/67/09/77/176670977.db2.gz MAUXGBZVYIJATP-XUIVZRPNSA-N 1 3 227.352 0.418 20 0 BCADHO C[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000163611076 176748425 /nfs/dbraw/zinc/74/84/25/176748425.db2.gz VLOLSRVVRZIDGS-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)C[C@H](C)[NH3+] ZINC000037476456 176756280 /nfs/dbraw/zinc/75/62/80/176756280.db2.gz ZQEAZJHPAGSQOV-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@]1(C)CCCCN1 ZINC000180896615 176759061 /nfs/dbraw/zinc/75/90/61/176759061.db2.gz ZFVBTQZANSDKTI-GXSJLCMTSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000336685041 177109779 /nfs/dbraw/zinc/10/97/79/177109779.db2.gz KNCMUJQKBCUWMZ-CMPLNLGQSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H]1CCCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336685041 177109780 /nfs/dbraw/zinc/10/97/80/177109780.db2.gz KNCMUJQKBCUWMZ-CMPLNLGQSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675088 177161737 /nfs/dbraw/zinc/16/17/37/177161737.db2.gz HHPVRCIECFWPOG-CMPLNLGQSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675088 177161738 /nfs/dbraw/zinc/16/17/38/177161738.db2.gz HHPVRCIECFWPOG-CMPLNLGQSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127070616 177175806 /nfs/dbraw/zinc/17/58/06/177175806.db2.gz YYIWMPNUTWAXJA-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCN1CCC1 ZINC000309162406 177234317 /nfs/dbraw/zinc/23/43/17/177234317.db2.gz ZOOGRNHAXVAKBR-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCN1CCC1 ZINC000309162406 177234318 /nfs/dbraw/zinc/23/43/18/177234318.db2.gz ZOOGRNHAXVAKBR-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000341211602 177234675 /nfs/dbraw/zinc/23/46/75/177234675.db2.gz OQRQOELTDFZCQL-JQWIXIFHSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000341211602 177234676 /nfs/dbraw/zinc/23/46/76/177234676.db2.gz OQRQOELTDFZCQL-JQWIXIFHSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CCCC1 ZINC000362390422 177237469 /nfs/dbraw/zinc/23/74/69/177237469.db2.gz SMNAERXXTSQEFF-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN1CCCC1 ZINC000362390422 177237470 /nfs/dbraw/zinc/23/74/70/177237470.db2.gz SMNAERXXTSQEFF-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000352483114 177354518 /nfs/dbraw/zinc/35/45/18/177354518.db2.gz YFZUQSKEEZXEPE-QJPTWQEYSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000352483114 177354519 /nfs/dbraw/zinc/35/45/19/177354519.db2.gz YFZUQSKEEZXEPE-QJPTWQEYSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C(C)(C)[NH3+])CN1C1CC1 ZINC000237637605 177367534 /nfs/dbraw/zinc/36/75/34/177367534.db2.gz DHBLBGZYCREHLC-IUCAKERBSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CCCC1 ZINC000094648196 177396161 /nfs/dbraw/zinc/39/61/61/177396161.db2.gz ZWOSTHOBJLBCMI-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000368198862 177396182 /nfs/dbraw/zinc/39/61/82/177396182.db2.gz DMRWPVCRGZNCCK-VPOLOUISSA-N 1 3 243.326 0.191 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@H](C)N(C)C ZINC000038089337 487640753 /nfs/dbraw/zinc/64/07/53/487640753.db2.gz CQIVZOUEIXOIHA-VIFPVBQESA-N 1 3 201.314 0.051 20 0 BCADHO NC1(C(=O)NCC[C@H]2CC[NH2+]C2)CCCC1 ZINC000178408504 487640926 /nfs/dbraw/zinc/64/09/26/487640926.db2.gz HCBXLINGSIYVSN-SNVBAGLBSA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)C1CCN(C)CC1 ZINC000495114966 226276748 /nfs/dbraw/zinc/27/67/48/226276748.db2.gz CXPMMCPHJLCAHB-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](NCC1=CCN(C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400560765 226346447 /nfs/dbraw/zinc/34/64/47/226346447.db2.gz HUKSSWOPPBAOOB-AAEUAGOBSA-N 1 3 223.364 0.978 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@H]1CCCN1C ZINC000226082853 487656334 /nfs/dbraw/zinc/65/63/34/487656334.db2.gz WWNCMRYVQHRELT-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO O[C@@H]1CCCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329310 487657405 /nfs/dbraw/zinc/65/74/05/487657405.db2.gz HAKBZMWXOBCITC-FVCCEPFGSA-N 1 3 224.348 0.689 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@H+](C)CC)C[C@@H]1C ZINC000383659664 487658652 /nfs/dbraw/zinc/65/86/52/487658652.db2.gz LGCKMWIHJLINDI-QWHCGFSZSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000383659664 487658658 /nfs/dbraw/zinc/65/86/58/487658658.db2.gz LGCKMWIHJLINDI-QWHCGFSZSA-N 1 3 243.395 0.325 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678062 487660074 /nfs/dbraw/zinc/66/00/74/487660074.db2.gz QAKJOYJECHYFAV-AGIUHOORSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678062 487660077 /nfs/dbraw/zinc/66/00/77/487660077.db2.gz QAKJOYJECHYFAV-AGIUHOORSA-N 1 3 244.379 0.390 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)CC(F)F ZINC000309396362 262726124 /nfs/dbraw/zinc/72/61/24/262726124.db2.gz GQRMUYWCFPCWBD-ZETCQYMHSA-N 1 3 223.267 0.085 20 0 BCADHO CNCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662591973 487663853 /nfs/dbraw/zinc/66/38/53/487663853.db2.gz HKCCKQKOICMFJR-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662591973 487663857 /nfs/dbraw/zinc/66/38/57/487663857.db2.gz HKCCKQKOICMFJR-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000082545994 487669966 /nfs/dbraw/zinc/66/99/66/487669966.db2.gz BXPNVNOKMNZLPR-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1NCC1(C)C ZINC000393787113 487689440 /nfs/dbraw/zinc/68/94/40/487689440.db2.gz YUYQAFVRYCTGGT-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[NH2+]C1CC1)N(C)C ZINC000151498344 487701928 /nfs/dbraw/zinc/70/19/28/487701928.db2.gz GTTOFAYMERXIAZ-NSHDSACASA-N 1 3 227.352 0.441 20 0 BCADHO CN1CCC[C@@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000669402957 487703776 /nfs/dbraw/zinc/70/37/76/487703776.db2.gz BYVXWGAZGSZYRD-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000669403131 487705138 /nfs/dbraw/zinc/70/51/38/487705138.db2.gz LEKQRVAKGIUZEN-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403340 487705154 /nfs/dbraw/zinc/70/51/54/487705154.db2.gz VZEUACGBKRUULL-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000669403130 487705795 /nfs/dbraw/zinc/70/57/95/487705795.db2.gz LEKQRVAKGIUZEN-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403021 487705906 /nfs/dbraw/zinc/70/59/06/487705906.db2.gz FJCSKOAKCTXQSA-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCCCN1 ZINC000033792076 487707446 /nfs/dbraw/zinc/70/74/46/487707446.db2.gz OHMZVNUOFZJEOH-MNOVXSKESA-N 1 3 225.336 0.387 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000353958963 487709818 /nfs/dbraw/zinc/70/98/18/487709818.db2.gz IIUBATFTHUWFCN-NSHDSACASA-N 1 3 229.368 0.783 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCCN(C(C)C)CC1 ZINC000662824183 487723552 /nfs/dbraw/zinc/72/35/52/487723552.db2.gz ZISWUCBBVAXODS-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+](CCNC(=O)C1(N)CCCC1)C1CC1 ZINC000226397604 487731407 /nfs/dbraw/zinc/73/14/07/487731407.db2.gz SWUVTIACBQSLTC-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CC[N@@H+](CCNC(=O)C1(N)CCCC1)C1CC1 ZINC000226397604 487731409 /nfs/dbraw/zinc/73/14/09/487731409.db2.gz SWUVTIACBQSLTC-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CN(C[C@@H]1CNCCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000250428977 487732104 /nfs/dbraw/zinc/73/21/04/487732104.db2.gz QRRVDIPLRQEWPH-STQMWFEESA-N 1 3 239.363 0.143 20 0 BCADHO CN(C[C@@H]1CNCCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000250428977 487732108 /nfs/dbraw/zinc/73/21/08/487732108.db2.gz QRRVDIPLRQEWPH-STQMWFEESA-N 1 3 239.363 0.143 20 0 BCADHO C[C@H](CNC(=O)CC(C)(C)[NH3+])N(C)C1CC1 ZINC000226398845 487734611 /nfs/dbraw/zinc/73/46/11/487734611.db2.gz XYRWBSUZCFHIGN-SECBINFHSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250787527 487739898 /nfs/dbraw/zinc/73/98/98/487739898.db2.gz YUKLHSKDBFGGAU-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250787527 487739903 /nfs/dbraw/zinc/73/99/03/487739903.db2.gz YUKLHSKDBFGGAU-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CCCN1CC[C@H](NC(=O)NCCC[NH2+]C)C1 ZINC000659505129 487744840 /nfs/dbraw/zinc/74/48/40/487744840.db2.gz PWMDFNKHJQEFLY-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000659515587 487762344 /nfs/dbraw/zinc/76/23/44/487762344.db2.gz KNPWWHVVBOWQIH-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506565 487764655 /nfs/dbraw/zinc/76/46/55/487764655.db2.gz WUVMGXKEPOHICJ-BDAKNGLRSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000309211003 487779932 /nfs/dbraw/zinc/77/99/32/487779932.db2.gz DNHJEJMUTVSYFS-SRVKXCTJSA-N 1 3 230.352 0.143 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000309211003 487779937 /nfs/dbraw/zinc/77/99/37/487779937.db2.gz DNHJEJMUTVSYFS-SRVKXCTJSA-N 1 3 230.352 0.143 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H]1CC[NH2+]C1 ZINC000251798757 487797729 /nfs/dbraw/zinc/79/77/29/487797729.db2.gz LVUJZYXEWSRXGL-VWYCJHECSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H]1CC[NH2+]C1 ZINC000251798754 487797853 /nfs/dbraw/zinc/79/78/53/487797853.db2.gz LVUJZYXEWSRXGL-OUAUKWLOSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106629 487814299 /nfs/dbraw/zinc/81/42/99/487814299.db2.gz ZHYBRKKYFWNATC-VWYCJHECSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106629 487814304 /nfs/dbraw/zinc/81/43/04/487814304.db2.gz ZHYBRKKYFWNATC-VWYCJHECSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@H](N(C)C[C@H]2CNCCO2)CC[N@@H+]1C ZINC000252218297 487823091 /nfs/dbraw/zinc/82/30/91/487823091.db2.gz ZSACQKBDOOEXSQ-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H](N(C)C[C@H]2CNCCO2)CC[N@H+]1C ZINC000252218297 487823097 /nfs/dbraw/zinc/82/30/97/487823097.db2.gz ZSACQKBDOOEXSQ-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CNCCO2)CCN1C ZINC000252218297 487823100 /nfs/dbraw/zinc/82/31/00/487823100.db2.gz ZSACQKBDOOEXSQ-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CNCCO2)CCN1C ZINC000252218297 487823105 /nfs/dbraw/zinc/82/31/05/487823105.db2.gz ZSACQKBDOOEXSQ-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO CCCCCCN(C)CC(=O)NC[C@H](C)[NH3+] ZINC000834687114 587764317 /nfs/dbraw/zinc/76/43/17/587764317.db2.gz SJMGZAYAIBXBIW-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CCNC(=O)CN(C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666627474 487847664 /nfs/dbraw/zinc/84/76/64/487847664.db2.gz FCMDHEUMUCIPEZ-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373068805 487857112 /nfs/dbraw/zinc/85/71/12/487857112.db2.gz GUSIGUTVCNCNLO-NOHGZBONSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H](C[NH3+])CNCc1ccccc1-n1cncn1 ZINC000666825490 487886668 /nfs/dbraw/zinc/88/66/68/487886668.db2.gz QHFHKFNRXGTRFW-NSHDSACASA-N 1 3 245.330 0.952 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000669462781 487909342 /nfs/dbraw/zinc/90/93/42/487909342.db2.gz FQKHNRIEGSQXEY-RKDXNWHRSA-N 1 3 228.340 0.116 20 0 BCADHO CN(C)CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652317277 487916948 /nfs/dbraw/zinc/91/69/48/487916948.db2.gz MAWIVHKRYAGLEB-UHFFFAOYSA-N 1 3 242.367 0.237 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000157850228 487927074 /nfs/dbraw/zinc/92/70/74/487927074.db2.gz UDPUGIAJTPPTKU-MNOVXSKESA-N 1 3 227.352 0.583 20 0 BCADHO N[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000449106809 487929787 /nfs/dbraw/zinc/92/97/87/487929787.db2.gz JYKUEVRHJZMQOV-AGIUHOORSA-N 1 3 247.342 0.930 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000417809036 487956787 /nfs/dbraw/zinc/95/67/87/487956787.db2.gz APJHFTHLXMKGNP-WYUUTHIRSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000417809035 487956868 /nfs/dbraw/zinc/95/68/68/487956868.db2.gz APJHFTHLXMKGNP-RHYQMDGZSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000564947245 322976802 /nfs/dbraw/zinc/97/68/02/322976802.db2.gz DOAQKNDANMBDHP-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC[NH3+] ZINC000566853721 323019169 /nfs/dbraw/zinc/01/91/69/323019169.db2.gz RYWYSAVSDYUVJJ-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000562809421 323031167 /nfs/dbraw/zinc/03/11/67/323031167.db2.gz USVXTRRCUVQZMD-SFYZADRCSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CCNC[C@H]1C(F)F ZINC000569724520 323038943 /nfs/dbraw/zinc/03/89/43/323038943.db2.gz VJPZIBOGYLWBLC-UWVGGRQHSA-N 1 3 235.322 0.899 20 0 BCADHO NC(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000569843585 323042706 /nfs/dbraw/zinc/04/27/06/323042706.db2.gz GVCCNUUKRJZGME-QYNIQEEDSA-N 1 3 239.241 0.120 20 0 BCADHO NC(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000569843583 323042714 /nfs/dbraw/zinc/04/27/14/323042714.db2.gz GVCCNUUKRJZGME-FSDSQADBSA-N 1 3 239.241 0.120 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000570094114 323049669 /nfs/dbraw/zinc/04/96/69/323049669.db2.gz CEFKUWPQATZCCS-VHSXEESVSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000572606020 323050364 /nfs/dbraw/zinc/05/03/64/323050364.db2.gz BOBZJKLQDLNNEF-UTUOFQBUSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000572606020 323050365 /nfs/dbraw/zinc/05/03/65/323050365.db2.gz BOBZJKLQDLNNEF-UTUOFQBUSA-N 1 3 241.379 0.912 20 0 BCADHO CNC(=O)CCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000570579290 323063789 /nfs/dbraw/zinc/06/37/89/323063789.db2.gz IHMUXKOEQYVQGT-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000570579290 323063790 /nfs/dbraw/zinc/06/37/90/323063790.db2.gz IHMUXKOEQYVQGT-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000570579290 323063791 /nfs/dbraw/zinc/06/37/91/323063791.db2.gz IHMUXKOEQYVQGT-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC000156204217 323064996 /nfs/dbraw/zinc/06/49/96/323064996.db2.gz IQGBQAQNNDPRBW-RYUDHWBXSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C[NH2+]CC2CC2)C1 ZINC000570725286 323068678 /nfs/dbraw/zinc/06/86/78/323068678.db2.gz RQUWZJFURIDPJT-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC[NH3+] ZINC000570827290 323071883 /nfs/dbraw/zinc/07/18/83/323071883.db2.gz OPLFOSCNTGROAP-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO COCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570928628 323074511 /nfs/dbraw/zinc/07/45/11/323074511.db2.gz KQKIFOUDFQTXGP-LLVKDONJSA-N 1 3 228.336 0.320 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000040490584 323089861 /nfs/dbraw/zinc/08/98/61/323089861.db2.gz SFONRDQYIAQCBS-MXWKQRLJSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000040490584 323089862 /nfs/dbraw/zinc/08/98/62/323089862.db2.gz SFONRDQYIAQCBS-MXWKQRLJSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)C1CC1 ZINC000563097334 323092238 /nfs/dbraw/zinc/09/22/38/323092238.db2.gz UFIWEAWNFLSTDF-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563109666 323092937 /nfs/dbraw/zinc/09/29/37/323092937.db2.gz AXRAXGUTAIGODW-SNVBAGLBSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000563114820 323093252 /nfs/dbraw/zinc/09/32/52/323093252.db2.gz DMAQLVMMTPLMSS-ZYHUDNBSSA-N 1 3 235.331 0.930 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000563116564 323093346 /nfs/dbraw/zinc/09/33/46/323093346.db2.gz JFWBVAGWQHWYPV-DVVUODLYSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)C1CCC1 ZINC000563115750 323093433 /nfs/dbraw/zinc/09/34/33/323093433.db2.gz LSDBVLYQYNZEPL-HGNGGELXSA-N 1 3 211.309 0.062 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000563164366 323099177 /nfs/dbraw/zinc/09/91/77/323099177.db2.gz MBIIKHHPTVPPQB-MDZLAQPJSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563209694 323101947 /nfs/dbraw/zinc/10/19/47/323101947.db2.gz WKMILBXVHYCZEJ-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO O=C(CC[NH2+]C1CC1)N[C@H]1CNCCC1(F)F ZINC000571060331 323106277 /nfs/dbraw/zinc/10/62/77/323106277.db2.gz LVAPZRXXAXVADZ-VIFPVBQESA-N 1 3 247.289 0.242 20 0 BCADHO C[C@H](CC(=O)N(C)C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531729198 323111636 /nfs/dbraw/zinc/11/16/36/323111636.db2.gz NDLJHFNSMMEGLF-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](CC(=O)N(C)C)NCC[N@H+]1CC[C@H](C)C1 ZINC000531729198 323111637 /nfs/dbraw/zinc/11/16/37/323111637.db2.gz NDLJHFNSMMEGLF-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CN(C)[C@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000563366816 323121403 /nfs/dbraw/zinc/12/14/03/323121403.db2.gz XTPRYLMJLUCMNN-AVGNSLFASA-N 1 3 241.379 0.077 20 0 BCADHO CN(C)[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000563366816 323121404 /nfs/dbraw/zinc/12/14/04/323121404.db2.gz XTPRYLMJLUCMNN-AVGNSLFASA-N 1 3 241.379 0.077 20 0 BCADHO CN(CC[NH3+])C(=O)c1ccc2c(c1)CNC2 ZINC000571164336 323137004 /nfs/dbraw/zinc/13/70/04/323137004.db2.gz GAGPGOHVBQNNDU-UHFFFAOYSA-N 1 3 219.288 0.321 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161042539 323144730 /nfs/dbraw/zinc/14/47/30/323144730.db2.gz XEUJJHUGVQHZPJ-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@H](C)N1CCCC1 ZINC000161071058 323145798 /nfs/dbraw/zinc/14/57/98/323145798.db2.gz CKFNOXUYXZICOX-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000571653502 323151206 /nfs/dbraw/zinc/15/12/06/323151206.db2.gz SMSOIYZMAKFGPP-LPEHRKFASA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000152327501 323176522 /nfs/dbraw/zinc/17/65/22/323176522.db2.gz WFNAPAKLWLVHNH-KGYLQXTDSA-N 1 3 247.342 0.882 20 0 BCADHO CCN1C[C@H](N[C@@H]2CC[N@H+](C)C[C@H]2C)CC1=O ZINC000391613367 323179040 /nfs/dbraw/zinc/17/90/40/323179040.db2.gz DWCKDAXZDCRMDB-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1C[C@H](N[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1=O ZINC000391613367 323179041 /nfs/dbraw/zinc/17/90/41/323179041.db2.gz DWCKDAXZDCRMDB-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000308841437 323179978 /nfs/dbraw/zinc/17/99/78/323179978.db2.gz KGNDKIJVEXSDGS-YIZRAAEISA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000563897341 323205547 /nfs/dbraw/zinc/20/55/47/323205547.db2.gz VQRCPRZNNHTIRO-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC000563897341 323205548 /nfs/dbraw/zinc/20/55/48/323205548.db2.gz VQRCPRZNNHTIRO-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1cnccc1N ZINC000530226274 323219614 /nfs/dbraw/zinc/21/96/14/323219614.db2.gz QXPXYBYAGDNMSH-NXEZZACHSA-N 1 3 236.319 0.133 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945771 323330213 /nfs/dbraw/zinc/33/02/13/323330213.db2.gz NQPDUXFCDVNVBZ-PWSUYJOCSA-N 1 3 239.363 0.490 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)C(C)(C)N)CC1 ZINC000309378915 323349172 /nfs/dbraw/zinc/34/91/72/323349172.db2.gz DAONRQACXGZRSJ-MRVPVSSYSA-N 1 3 213.325 0.310 20 0 BCADHO CSCC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309408439 323381178 /nfs/dbraw/zinc/38/11/78/323381178.db2.gz IEUULKQSKANFNL-BDAKNGLRSA-N 1 3 231.365 0.017 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000572155987 323554129 /nfs/dbraw/zinc/55/41/29/323554129.db2.gz ZVRAXPNNDYHTDB-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CCO[C@@H]1CN(C[C@@H](C)COC)C[C@H]1C[NH3+] ZINC000405864155 487961562 /nfs/dbraw/zinc/96/15/62/487961562.db2.gz OVLJEHDKFWAAAQ-IJLUTSLNSA-N 1 3 230.352 0.565 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@@H](C)COC)C[C@H]1CN ZINC000405864155 487961566 /nfs/dbraw/zinc/96/15/66/487961566.db2.gz OVLJEHDKFWAAAQ-IJLUTSLNSA-N 1 3 230.352 0.565 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@@H](C)COC)C[C@H]1CN ZINC000405864155 487961569 /nfs/dbraw/zinc/96/15/69/487961569.db2.gz OVLJEHDKFWAAAQ-IJLUTSLNSA-N 1 3 230.352 0.565 20 0 BCADHO CCO[C@@H]1CN(C[C@H](C)COC)C[C@H]1C[NH3+] ZINC000405864157 487961632 /nfs/dbraw/zinc/96/16/32/487961632.db2.gz OVLJEHDKFWAAAQ-QJPTWQEYSA-N 1 3 230.352 0.565 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@H](C)COC)C[C@H]1CN ZINC000405864157 487961637 /nfs/dbraw/zinc/96/16/37/487961637.db2.gz OVLJEHDKFWAAAQ-QJPTWQEYSA-N 1 3 230.352 0.565 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@H](C)COC)C[C@H]1CN ZINC000405864157 487961642 /nfs/dbraw/zinc/96/16/42/487961642.db2.gz OVLJEHDKFWAAAQ-QJPTWQEYSA-N 1 3 230.352 0.565 20 0 BCADHO COCCOC[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000572497115 324133913 /nfs/dbraw/zinc/13/39/13/324133913.db2.gz BZAZYVOBCBQIMJ-TUAOUCFPSA-N 1 3 230.352 0.897 20 0 BCADHO CN(CCN1CCCCC1)C(=O)C(C)(C)[NH3+] ZINC000083907430 487964115 /nfs/dbraw/zinc/96/41/15/487964115.db2.gz YOGMDOYLUXGAFJ-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C(C)(C)[NH3+])C1 ZINC000083913536 487964814 /nfs/dbraw/zinc/96/48/14/487964814.db2.gz TWFQFRQWHHGTFX-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)N)C1 ZINC000083913555 487964837 /nfs/dbraw/zinc/96/48/37/487964837.db2.gz PONUEABQBSHYSK-VIFPVBQESA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)N)C1 ZINC000083913555 487964845 /nfs/dbraw/zinc/96/48/45/487964845.db2.gz PONUEABQBSHYSK-VIFPVBQESA-N 1 3 227.352 0.713 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000083913571 487966248 /nfs/dbraw/zinc/96/62/48/487966248.db2.gz RUPBKKZHPWDJAC-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000083913571 487966250 /nfs/dbraw/zinc/96/62/50/487966250.db2.gz RUPBKKZHPWDJAC-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)NCC[NH+](C)C)N(C)C ZINC000131279705 325133237 /nfs/dbraw/zinc/13/32/37/325133237.db2.gz RBJZZCPWWBLCQW-VIFPVBQESA-N 1 3 201.314 0.004 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)N1 ZINC000131847671 325186633 /nfs/dbraw/zinc/18/66/33/325186633.db2.gz UBBOJDAZXFOGOS-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000564992752 325842313 /nfs/dbraw/zinc/84/23/13/325842313.db2.gz SUEKQZVOZUQFPW-ADEWGFFLSA-N 1 3 233.315 0.205 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000566207625 326013819 /nfs/dbraw/zinc/01/38/19/326013819.db2.gz FHSKYVFKPNVNPY-BBBLOLIVSA-N 1 3 245.392 0.263 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566250899 326024584 /nfs/dbraw/zinc/02/45/84/326024584.db2.gz HWWHZGJQKVJISN-TXEJJXNPSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(N)CCCCC1 ZINC000566258530 326025600 /nfs/dbraw/zinc/02/56/00/326025600.db2.gz WGUHGVSYDBTTJQ-NXEZZACHSA-N 1 3 227.352 0.890 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)NCCN2CCCCC2)C1 ZINC000566287903 326029248 /nfs/dbraw/zinc/02/92/48/326029248.db2.gz UDSJKJMRENYTRB-PHIMTYICSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCn1cncn1 ZINC000566302778 326031359 /nfs/dbraw/zinc/03/13/59/326031359.db2.gz XPFXQLIUJPBPAD-SECBINFHSA-N 1 3 211.313 0.241 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566471369 326052550 /nfs/dbraw/zinc/05/25/50/326052550.db2.gz UQURENSWUQOONG-JQWIXIFHSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000567236867 326148622 /nfs/dbraw/zinc/14/86/22/326148622.db2.gz SNRNSDLYUCDYMZ-BQBZGAKWSA-N 1 3 241.257 0.366 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000309823802 326170156 /nfs/dbraw/zinc/17/01/56/326170156.db2.gz WXGYTVHGTISKSD-KXUCPTDWSA-N 1 3 213.325 0.165 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567469611 326198810 /nfs/dbraw/zinc/19/88/10/326198810.db2.gz PBMLGVJFVWNIMK-ZYHUDNBSSA-N 1 3 227.352 0.701 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000567486316 326202422 /nfs/dbraw/zinc/20/24/22/326202422.db2.gz FQIFGDRNNCIIIW-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO COC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000567606570 326228043 /nfs/dbraw/zinc/22/80/43/326228043.db2.gz UMPITGKKBJTUAE-ZYHUDNBSSA-N 1 3 228.336 0.234 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813505 326262037 /nfs/dbraw/zinc/26/20/37/326262037.db2.gz FFAHTYCPGVKETN-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000567820103 326263131 /nfs/dbraw/zinc/26/31/31/326263131.db2.gz FWCFRZOSSFQZJS-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000567824728 326264461 /nfs/dbraw/zinc/26/44/61/326264461.db2.gz BOOYGPSAKDMQHZ-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000567925608 326284185 /nfs/dbraw/zinc/28/41/85/326284185.db2.gz PDXAJSREPFPMBF-AEJSXWLSSA-N 1 3 245.392 0.324 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)C1 ZINC000568248191 326334329 /nfs/dbraw/zinc/33/43/29/326334329.db2.gz JVNVFZWPBSUTCC-XQHKEYJVSA-N 1 3 242.363 0.491 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568626406 326368408 /nfs/dbraw/zinc/36/84/08/326368408.db2.gz DWIJEAHHIXUNPJ-GXFFZTMASA-N 1 3 247.342 0.584 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000568760773 326375612 /nfs/dbraw/zinc/37/56/12/326375612.db2.gz BCUHXDJNNLQXNG-VLEAKVRGSA-N 1 3 227.352 0.474 20 0 BCADHO CC1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000568887638 326381443 /nfs/dbraw/zinc/38/14/43/326381443.db2.gz ADMJVZLVKWDDEM-TXEJJXNPSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000568987040 326385118 /nfs/dbraw/zinc/38/51/18/326385118.db2.gz WUWWXALSZZWTSH-ODXREFDESA-N 1 3 249.305 0.472 20 0 BCADHO C[NH2+][C@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000569001055 326385952 /nfs/dbraw/zinc/38/59/52/326385952.db2.gz RQEHUIFGXMSLJP-LLVKDONJSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H](NC(=O)CNC1CC1)[C@H]1CCC[NH2+]C1 ZINC000569095023 326389465 /nfs/dbraw/zinc/38/94/65/326389465.db2.gz BSKJMHLWVJIFAH-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO CSC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000569232716 326396430 /nfs/dbraw/zinc/39/64/30/326396430.db2.gz JSEZPZQBVPSFFV-ZYHUDNBSSA-N 1 3 244.404 0.950 20 0 BCADHO CSC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000569232713 326396572 /nfs/dbraw/zinc/39/65/72/326396572.db2.gz JSEZPZQBVPSFFV-CMPLNLGQSA-N 1 3 244.404 0.950 20 0 BCADHO COC[C@H](C)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396554970 487972923 /nfs/dbraw/zinc/97/29/23/487972923.db2.gz GFDPPAONRXSFPA-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000309507957 487979917 /nfs/dbraw/zinc/97/99/17/487979917.db2.gz WKSVHFQDMAEJGA-NXEZZACHSA-N 1 3 215.341 0.474 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446399005 487980330 /nfs/dbraw/zinc/98/03/30/487980330.db2.gz SSOHFEROPGRBEQ-MMWGEVLESA-N 1 3 227.352 0.746 20 0 BCADHO CC[NH+](CC)CCCN[C@H]1CCCNC(=O)C1 ZINC000111825266 488012520 /nfs/dbraw/zinc/01/25/20/488012520.db2.gz VXUJEPCUSHSTQM-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CCN(CC)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000111825266 488012522 /nfs/dbraw/zinc/01/25/22/488012522.db2.gz VXUJEPCUSHSTQM-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO NCCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000135257737 488022857 /nfs/dbraw/zinc/02/28/57/488022857.db2.gz KBMSOYZXOGSMDM-UHFFFAOYSA-N 1 3 236.315 0.939 20 0 BCADHO [NH3+]CCCNCCc1ccc2c(c1)OCCO2 ZINC000135257737 488022860 /nfs/dbraw/zinc/02/28/60/488022860.db2.gz KBMSOYZXOGSMDM-UHFFFAOYSA-N 1 3 236.315 0.939 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165603074 488028366 /nfs/dbraw/zinc/02/83/66/488028366.db2.gz OLAQUEAYHGUHHC-NEPJUHHUSA-N 1 3 241.379 0.816 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217011 488037655 /nfs/dbraw/zinc/03/76/55/488037655.db2.gz YBKRNRHRLUBTFB-OUAUKWLOSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000084217011 488037662 /nfs/dbraw/zinc/03/76/62/488037662.db2.gz YBKRNRHRLUBTFB-OUAUKWLOSA-N 1 3 225.336 0.372 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217004 488037715 /nfs/dbraw/zinc/03/77/15/488037715.db2.gz YBKRNRHRLUBTFB-DCAQKATOSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000084217004 488037720 /nfs/dbraw/zinc/03/77/20/488037720.db2.gz YBKRNRHRLUBTFB-DCAQKATOSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCNC2=O)C1 ZINC000656200904 488067547 /nfs/dbraw/zinc/06/75/47/488067547.db2.gz YIGINSCMARBBCU-AXFHLTTASA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000236713979 488082745 /nfs/dbraw/zinc/08/27/45/488082745.db2.gz YQTZAQPAROLRFM-SNVBAGLBSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236760383 488088391 /nfs/dbraw/zinc/08/83/91/488088391.db2.gz ZIJONGBQZACQHC-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000389428793 488095681 /nfs/dbraw/zinc/09/56/81/488095681.db2.gz XNCPAYGUFAVWNL-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000389428793 488095683 /nfs/dbraw/zinc/09/56/83/488095683.db2.gz XNCPAYGUFAVWNL-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000237040288 488102207 /nfs/dbraw/zinc/10/22/07/488102207.db2.gz HLJXHHUUKVYNTP-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000389647348 488104500 /nfs/dbraw/zinc/10/45/00/488104500.db2.gz NAFPFLJLLPMJEW-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000389660586 488104798 /nfs/dbraw/zinc/10/47/98/488104798.db2.gz RNXDTKDTDJMACM-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000389692483 488105877 /nfs/dbraw/zinc/10/58/77/488105877.db2.gz AVIMBLONNBWYAJ-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000389692481 488105717 /nfs/dbraw/zinc/10/57/17/488105717.db2.gz AVIMBLONNBWYAJ-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000389683581 488105729 /nfs/dbraw/zinc/10/57/29/488105729.db2.gz YIXOTYYBXCSNGF-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000389692479 488106008 /nfs/dbraw/zinc/10/60/08/488106008.db2.gz AVIMBLONNBWYAJ-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000389730809 488109449 /nfs/dbraw/zinc/10/94/49/488109449.db2.gz JQUFVOXHZGERBL-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C1 ZINC000389730809 488109453 /nfs/dbraw/zinc/10/94/53/488109453.db2.gz JQUFVOXHZGERBL-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000389815011 488113017 /nfs/dbraw/zinc/11/30/17/488113017.db2.gz RQPSTXXNBCIKRV-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512036 488116853 /nfs/dbraw/zinc/11/68/53/488116853.db2.gz SPAPTGQOMUANKX-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@@H](C[NH3+])OC ZINC000232119489 488118307 /nfs/dbraw/zinc/11/83/07/488118307.db2.gz PHBQERNQYDSYGG-NSHDSACASA-N 1 3 245.367 0.150 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNCC1(C)C ZINC000669512431 488118580 /nfs/dbraw/zinc/11/85/80/488118580.db2.gz VBEORDCFWDLSNJ-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CCN1 ZINC000669514698 488123853 /nfs/dbraw/zinc/12/38/53/488123853.db2.gz ADNCHCLYEQZWFQ-HBNTYKKESA-N 1 3 227.352 0.426 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514764 488124198 /nfs/dbraw/zinc/12/41/98/488124198.db2.gz GMFDGURZHWQGAM-GHMZBOCLSA-N 1 3 227.352 0.298 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)CCN1 ZINC000669514515 488124009 /nfs/dbraw/zinc/12/40/09/488124009.db2.gz KDBANWFYXXFTFJ-WDEREUQCSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000669516186 488125922 /nfs/dbraw/zinc/12/59/22/488125922.db2.gz WVMZAZNGJPUKLO-KKOKHZNYSA-N 1 3 241.379 0.946 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000258652633 488126387 /nfs/dbraw/zinc/12/63/87/488126387.db2.gz SHPXGBQOGZDBHI-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO c1cn(C[C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)nn1 ZINC000662297040 487543401 /nfs/dbraw/zinc/54/34/01/487543401.db2.gz YIAJXGQXLJIFQT-NWDGAFQWSA-N 1 3 235.335 0.210 20 0 BCADHO CN(CCCn1ccnc1)C[C@H]1CC[NH2+]C1 ZINC000382755724 487550250 /nfs/dbraw/zinc/55/02/50/487550250.db2.gz NFBRNKNJMGOHLK-LBPRGKRZSA-N 1 3 222.336 0.815 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000669519858 488134827 /nfs/dbraw/zinc/13/48/27/488134827.db2.gz VDQUTBGITCOURL-WDEREUQCSA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)N1CCCC1 ZINC000161092859 487476081 /nfs/dbraw/zinc/47/60/81/487476081.db2.gz FDBSLTYBBUONEK-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000662236175 487470868 /nfs/dbraw/zinc/47/08/68/487470868.db2.gz VAGSTUBRHJYTSU-SRVKXCTJSA-N 1 3 227.352 0.177 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CN1C1CC1 ZINC000237438806 487471655 /nfs/dbraw/zinc/47/16/55/487471655.db2.gz RIAGQNPMJIUTBD-ZJUUUORDSA-N 1 3 239.363 0.855 20 0 BCADHO CCCN(C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653272088 487473330 /nfs/dbraw/zinc/47/33/30/487473330.db2.gz YPVNNIFCERKFFP-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCCCCC1 ZINC000237468869 487474154 /nfs/dbraw/zinc/47/41/54/487474154.db2.gz KDKMAJQKHGVSEF-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000161058981 487474712 /nfs/dbraw/zinc/47/47/12/487474712.db2.gz POXLCETXECKHNO-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CN(C)C[C@H](O)C[NH3+])C(C)(C)C ZINC000399484599 487486483 /nfs/dbraw/zinc/48/64/83/487486483.db2.gz DADCJTVNAQCXIC-VHSXEESVSA-N 1 3 202.342 0.920 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000086271495 487493374 /nfs/dbraw/zinc/49/33/74/487493374.db2.gz KRZNIQOLKGCAMM-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO C[N@@H+]1CC[C@@](O)(CN[C@H]2COC3(CCC3)C2)C1 ZINC000657973110 487496538 /nfs/dbraw/zinc/49/65/38/487496538.db2.gz BNVHLXJJEHUXAE-VXGBXAGGSA-N 1 3 240.347 0.354 20 0 BCADHO C[N@H+]1CC[C@@](O)(CN[C@H]2COC3(CCC3)C2)C1 ZINC000657973110 487496544 /nfs/dbraw/zinc/49/65/44/487496544.db2.gz BNVHLXJJEHUXAE-VXGBXAGGSA-N 1 3 240.347 0.354 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CN1C1CC1 ZINC000237637723 487497369 /nfs/dbraw/zinc/49/73/69/487497369.db2.gz RIAGQNPMJIUTBD-UWVGGRQHSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H](O)CNCCC[NH+]1CCCCC1 ZINC000666117479 487500254 /nfs/dbraw/zinc/50/02/54/487500254.db2.gz GJWJLSMCQCNSQU-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO COC[C@H](CN1CC[C@@H]([C@@H](C)[NH3+])C1)OC ZINC000662266625 487503957 /nfs/dbraw/zinc/50/39/57/487503957.db2.gz NREQEQKXPSXYIA-MXWKQRLJSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](CN1CC[C@@H]([NH3+])C[C@H]1C)OC ZINC000300366936 487510967 /nfs/dbraw/zinc/51/09/67/487510967.db2.gz HNJBGWCCWDETKE-MXWKQRLJSA-N 1 3 216.325 0.459 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)NCCN1CCC(C)CC1 ZINC000669303696 487507595 /nfs/dbraw/zinc/50/75/95/487507595.db2.gz GZNMFRROCXYEQI-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO CC(C)(O)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000379949546 488163937 /nfs/dbraw/zinc/16/39/37/488163937.db2.gz DRUHYDSCEGRASJ-JQWIXIFHSA-N 1 3 212.337 0.818 20 0 BCADHO CC(C)(O)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000379949546 488163941 /nfs/dbraw/zinc/16/39/41/488163941.db2.gz DRUHYDSCEGRASJ-JQWIXIFHSA-N 1 3 212.337 0.818 20 0 BCADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256674 490041997 /nfs/dbraw/zinc/04/19/97/490041997.db2.gz XXJOUNGSPKIBLI-LLVKDONJSA-N 1 3 210.321 0.992 20 0 BCADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256674 490042000 /nfs/dbraw/zinc/04/20/00/490042000.db2.gz XXJOUNGSPKIBLI-LLVKDONJSA-N 1 3 210.321 0.992 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000082771604 487728252 /nfs/dbraw/zinc/72/82/52/487728252.db2.gz UEFDBVIOKOKDBV-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@@H]1CCCCO1 ZINC000393883929 488054735 /nfs/dbraw/zinc/05/47/35/488054735.db2.gz RUIZYJYXOQDFPM-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO O[C@@H](CNC[C@@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689524 488138852 /nfs/dbraw/zinc/13/88/52/488138852.db2.gz DMRLJKQTDKEFHC-UPJWGTAASA-N 1 3 242.363 0.194 20 0 BCADHO CCn1cc(CN[C@H](C)CCCC[NH3+])nn1 ZINC000404412876 488156442 /nfs/dbraw/zinc/15/64/42/488156442.db2.gz ARBXLIQNHOAQSU-SNVBAGLBSA-N 1 3 225.340 0.905 20 0 BCADHO Cn1nccc1CCN1CC[C@@H](C[NH3+])C1 ZINC000230774511 488156580 /nfs/dbraw/zinc/15/65/80/488156580.db2.gz XMIARCTWOMDDOW-JTQLQIEISA-N 1 3 208.309 0.243 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356979 488162948 /nfs/dbraw/zinc/16/29/48/488162948.db2.gz HGZJDUZSGMQYCK-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000669524653 488164321 /nfs/dbraw/zinc/16/43/21/488164321.db2.gz NSVFLLLKXVILCQ-LPEHRKFASA-N 1 3 240.351 0.258 20 0 BCADHO OC[C@@H]1CCC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000231306903 488196525 /nfs/dbraw/zinc/19/65/25/488196525.db2.gz HJKOATJCVRQAQD-XQQFMLRXSA-N 1 3 242.363 0.194 20 0 BCADHO CN1CCCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000398086839 488209502 /nfs/dbraw/zinc/20/95/02/488209502.db2.gz VJNLUTOTHYXCOC-UHFFFAOYSA-N 1 3 211.309 0.032 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(N)CC2(CCC2)C1 ZINC000659315746 490092082 /nfs/dbraw/zinc/09/20/82/490092082.db2.gz UDBMDCSZVQFCMQ-UWVGGRQHSA-N 1 3 237.347 0.596 20 0 BCADHO C[C@H](CN)[N@H+](C)CCCc1cncn1C ZINC000314698773 490092185 /nfs/dbraw/zinc/09/21/85/490092185.db2.gz DCAQFJNRENQTQS-SNVBAGLBSA-N 1 3 210.325 0.632 20 0 BCADHO C[C@H](CN)[N@@H+](C)CCCc1cncn1C ZINC000314698773 490092187 /nfs/dbraw/zinc/09/21/87/490092187.db2.gz DCAQFJNRENQTQS-SNVBAGLBSA-N 1 3 210.325 0.632 20 0 BCADHO C[C@H](C[NH3+])N(C)CCCc1cncn1C ZINC000314698773 490092192 /nfs/dbraw/zinc/09/21/92/490092192.db2.gz DCAQFJNRENQTQS-SNVBAGLBSA-N 1 3 210.325 0.632 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000404931595 490131527 /nfs/dbraw/zinc/13/15/27/490131527.db2.gz MGBDSWYBTXSENB-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)(CCO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000227950299 490274052 /nfs/dbraw/zinc/27/40/52/490274052.db2.gz MFBSRDHKAQFQKM-LBPRGKRZSA-N 1 3 244.379 0.441 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232635 490393711 /nfs/dbraw/zinc/39/37/11/490393711.db2.gz GLRSQOVRLCPKJW-KXUCPTDWSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000130673036 490443965 /nfs/dbraw/zinc/44/39/65/490443965.db2.gz ZWSRYWUTIITEOR-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH+](C)C/C=C\C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000491849943 491080902 /nfs/dbraw/zinc/08/09/02/491080902.db2.gz XALZESZJGYBWOV-DLRQAJBASA-N 1 3 237.347 0.457 20 0 BCADHO N[C@@H](C(=O)NCC1([NH3+])CCCC1)C1CCC1 ZINC000662648133 491110220 /nfs/dbraw/zinc/11/02/20/491110220.db2.gz FIBOXHYSPHLMOW-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662660106 491110962 /nfs/dbraw/zinc/11/09/62/491110962.db2.gz BRIBJTMYJMBQHG-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662660103 491110973 /nfs/dbraw/zinc/11/09/73/491110973.db2.gz BRIBJTMYJMBQHG-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000662823599 491115615 /nfs/dbraw/zinc/11/56/15/491115615.db2.gz UDCDQGHGSKKZCD-RKDXNWHRSA-N 1 3 201.314 0.226 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653216436 491128416 /nfs/dbraw/zinc/12/84/16/491128416.db2.gz ZRFJBULHHJNBBG-SECBINFHSA-N 1 3 227.352 0.605 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)CNC1CC1 ZINC000049559749 491128795 /nfs/dbraw/zinc/12/87/95/491128795.db2.gz GOPBYVNAHXYAEP-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)N ZINC000049559623 491128797 /nfs/dbraw/zinc/12/87/97/491128797.db2.gz SIOYUDSPQMQQDG-QMMMGPOBSA-N 1 3 201.314 0.180 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559744 491128822 /nfs/dbraw/zinc/12/88/22/491128822.db2.gz ZHNUNLVBNOJWMU-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000644094834 491160537 /nfs/dbraw/zinc/16/05/37/491160537.db2.gz QVWMBHBDBAWSFZ-JTQLQIEISA-N 1 3 225.336 0.100 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351769722 535952145 /nfs/dbraw/zinc/95/21/45/535952145.db2.gz LFMOBWAIINOQMC-NAKRPEOUSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H]1[NH+](C)C ZINC000491901816 534276239 /nfs/dbraw/zinc/27/62/39/534276239.db2.gz CHLPSBXIRHPMDK-UXFRKABBSA-N 1 3 239.363 0.513 20 0 BCADHO CN(CCCO)C[C@H]1CCC[N@H+](C)C1 ZINC000259156326 536358362 /nfs/dbraw/zinc/35/83/62/536358362.db2.gz XTZMDMULZCOMQG-NSHDSACASA-N 1 3 200.326 0.642 20 0 BCADHO CN(CCCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000259156326 536358363 /nfs/dbraw/zinc/35/83/63/536358363.db2.gz XTZMDMULZCOMQG-NSHDSACASA-N 1 3 200.326 0.642 20 0 BCADHO C[NH+](C)[C@@H](CNc1ccncc1CO)C1CC1 ZINC000892345021 582863555 /nfs/dbraw/zinc/86/35/55/582863555.db2.gz ISJSYXLZTBDISZ-ZDUSSCGKSA-N 1 3 235.331 0.748 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494681294 528495112 /nfs/dbraw/zinc/49/51/12/528495112.db2.gz KLFUMUDNVRYOQQ-GRYCIOLGSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494681294 528495115 /nfs/dbraw/zinc/49/51/15/528495115.db2.gz KLFUMUDNVRYOQQ-GRYCIOLGSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000494709765 528497714 /nfs/dbraw/zinc/49/77/14/528497714.db2.gz OOJADTDXJXTTOW-NNYUYHANSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000494692932 528499948 /nfs/dbraw/zinc/49/99/48/528499948.db2.gz WGDRWWUYLKZHQC-JBLDHEPKSA-N 1 3 239.363 0.711 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000494649338 529249078 /nfs/dbraw/zinc/24/90/78/529249078.db2.gz MWSUXVFTWSHXQA-DCAQKATOSA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169027572 535057180 /nfs/dbraw/zinc/05/71/80/535057180.db2.gz WODLEYTUKVXNSW-WOPDTQHZSA-N 1 3 241.379 0.959 20 0 BCADHO CC1(CNC(=O)[C@@]2(F)CCNC2)CC[NH2+]CC1 ZINC000183367871 535146507 /nfs/dbraw/zinc/14/65/07/535146507.db2.gz VBHKIYYQIDIOHD-GFCCVEGCSA-N 1 3 243.326 0.194 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000261574575 535208149 /nfs/dbraw/zinc/20/81/49/535208149.db2.gz JILBOESVBQFCOV-IVZWLZJFSA-N 1 3 213.325 0.084 20 0 BCADHO CC(C)(N)C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000335570093 535195198 /nfs/dbraw/zinc/19/51/98/535195198.db2.gz ZIKYPQHKOKBDNK-JTQLQIEISA-N 1 3 233.315 0.640 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335720515 535315824 /nfs/dbraw/zinc/31/58/24/535315824.db2.gz XGFYHMPOYAITNJ-WCQYABFASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351754215 535316416 /nfs/dbraw/zinc/31/64/16/535316416.db2.gz IMEJNBYVFHPDPJ-DCAQKATOSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](C(=O)N1CCNC(C)(C)C1)[C@H](C)[NH3+] ZINC000335231299 535321735 /nfs/dbraw/zinc/32/17/35/535321735.db2.gz JBPAPPIPYILXPV-QWRGUYRKSA-N 1 3 241.379 0.816 20 0 BCADHO CCN1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000335664093 535472409 /nfs/dbraw/zinc/47/24/09/535472409.db2.gz SMRUQSASIYSAEX-MFKMUULPSA-N 1 3 237.347 0.339 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178520640 535492232 /nfs/dbraw/zinc/49/22/32/535492232.db2.gz NHDULAVZOPYNHX-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)N ZINC000167326644 535506847 /nfs/dbraw/zinc/50/68/47/535506847.db2.gz BCJDSSFXBIFODY-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)N ZINC000167326644 535506852 /nfs/dbraw/zinc/50/68/52/535506852.db2.gz BCJDSSFXBIFODY-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000261533184 535523565 /nfs/dbraw/zinc/52/35/65/535523565.db2.gz AWDQSDAOVFFHIH-MWLCHTKSSA-N 1 3 213.325 0.454 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000262049711 535524331 /nfs/dbraw/zinc/52/43/31/535524331.db2.gz QDJDQJVXEGKKPI-ZYHUDNBSSA-N 1 3 227.352 0.714 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163845289 535565315 /nfs/dbraw/zinc/56/53/15/535565315.db2.gz JADMSRAGWPDHEP-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335678319 535759444 /nfs/dbraw/zinc/75/94/44/535759444.db2.gz YZGWJTUFLGNJFN-STQMWFEESA-N 1 3 239.363 0.716 20 0 BCADHO CCN1C[C@H]([NH2+]CCOCCN(C)C)[C@@H](C)C1 ZINC000349189144 535783989 /nfs/dbraw/zinc/78/39/89/535783989.db2.gz FEWZOYQLRVOSCX-STQMWFEESA-N 1 3 243.395 0.494 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335939360 535942491 /nfs/dbraw/zinc/94/24/91/535942491.db2.gz FLAFIJACXINVNH-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335939360 535942494 /nfs/dbraw/zinc/94/24/94/535942494.db2.gz FLAFIJACXINVNH-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179107635 535949690 /nfs/dbraw/zinc/94/96/90/535949690.db2.gz VCRPGQDGARYNCS-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC([NH3+])(CC)CC ZINC000262660616 535951285 /nfs/dbraw/zinc/95/12/85/535951285.db2.gz ZAYAFSBXNMUJHY-UWVGGRQHSA-N 1 3 229.368 0.994 20 0 BCADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000335344712 536041691 /nfs/dbraw/zinc/04/16/91/536041691.db2.gz KIKBPWVPMIYXOV-LBPRGKRZSA-N 1 3 247.342 0.921 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000261539375 536138455 /nfs/dbraw/zinc/13/84/55/536138455.db2.gz CFWLOFHQSLGMMN-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000261546025 536138545 /nfs/dbraw/zinc/13/85/45/536138545.db2.gz KOROXIAVZOAAGT-LPEHRKFASA-N 1 3 213.325 0.452 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000258657960 536371644 /nfs/dbraw/zinc/37/16/44/536371644.db2.gz SKMCYAZBDLNUEX-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO CO[C@@H]1C[N@H+](CC2CCN(C)CC2)C[C@@H]1OC ZINC000894006565 583270101 /nfs/dbraw/zinc/27/01/01/583270101.db2.gz ATFIXTLEMCLSHJ-BETUJISGSA-N 1 3 242.363 0.674 20 0 BCADHO CO[C@@H]1C[N@@H+](CC2CCN(C)CC2)C[C@@H]1OC ZINC000894006565 583270104 /nfs/dbraw/zinc/27/01/04/583270104.db2.gz ATFIXTLEMCLSHJ-BETUJISGSA-N 1 3 242.363 0.674 20 0 BCADHO C([NH2+]CC12CC(C1)CN2)[C@H]1CCCOC1 ZINC000853245654 588728550 /nfs/dbraw/zinc/72/85/50/588728550.db2.gz AUKBTGUUPAYATP-VOMCLLRMSA-N 1 3 210.321 0.755 20 0 BCADHO CONC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000854003105 588771078 /nfs/dbraw/zinc/77/10/78/588771078.db2.gz YAQHBOXPQUOFDW-JTQLQIEISA-N 1 3 246.355 0.119 20 0 BCADHO CONC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000854003105 588771079 /nfs/dbraw/zinc/77/10/79/588771079.db2.gz YAQHBOXPQUOFDW-JTQLQIEISA-N 1 3 246.355 0.119 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)CNCC ZINC000854013679 588771886 /nfs/dbraw/zinc/77/18/86/588771886.db2.gz BQHJUCQJTXJRBO-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)CNCC ZINC000854013679 588771887 /nfs/dbraw/zinc/77/18/87/588771887.db2.gz BQHJUCQJTXJRBO-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@@H]([NH3+])C[C@H]1C)N(C)C ZINC000891940412 582741856 /nfs/dbraw/zinc/74/18/56/582741856.db2.gz QORJWUSOEVMLFO-UTLUCORTSA-N 1 3 228.340 0.068 20 0 BCADHO C[C@H]1CN(CCCNC(=[NH2+])N(C)C)CCCO1 ZINC000849022749 582829028 /nfs/dbraw/zinc/82/90/28/582829028.db2.gz VQUNBPBKOQARMS-NSHDSACASA-N 1 3 242.367 0.573 20 0 BCADHO CNC(=[NH2+])NCCCN1CCCO[C@@H](C)C1 ZINC000849022464 582829222 /nfs/dbraw/zinc/82/92/22/582829222.db2.gz BRCMLOSDJCEZBN-JTQLQIEISA-N 1 3 228.340 0.231 20 0 BCADHO CN(C)CCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892444100 582889076 /nfs/dbraw/zinc/88/90/76/582889076.db2.gz BDGLOAJAFQMASD-XYPYZODXSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892568479 582915813 /nfs/dbraw/zinc/91/58/13/582915813.db2.gz UFIQUWKVKVZHSI-VLEAKVRGSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000857102793 588887922 /nfs/dbraw/zinc/88/79/22/588887922.db2.gz NKJKTMBQHJTQEU-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO CC(C)[N@H+](C)CCNC(=S)NCCN(C)C ZINC000726131039 583339211 /nfs/dbraw/zinc/33/92/11/583339211.db2.gz PHNLSRBZIREPSG-UHFFFAOYSA-N 1 3 246.424 0.352 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=S)NCCN(C)C ZINC000726131039 583339216 /nfs/dbraw/zinc/33/92/16/583339216.db2.gz PHNLSRBZIREPSG-UHFFFAOYSA-N 1 3 246.424 0.352 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841845693 583355538 /nfs/dbraw/zinc/35/55/38/583355538.db2.gz GDHLTXMXPXPDFP-ONGXEEELSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)[C@@H](C)CN1 ZINC000841849384 583367377 /nfs/dbraw/zinc/36/73/77/583367377.db2.gz PWYQUEFCEBSHDQ-YWVKMMECSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H](O)CC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879582068 583440676 /nfs/dbraw/zinc/44/06/76/583440676.db2.gz PNKYQWORZQXYJO-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879582068 583440679 /nfs/dbraw/zinc/44/06/79/583440679.db2.gz PNKYQWORZQXYJO-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO CC(=O)N[C@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894973554 583561647 /nfs/dbraw/zinc/56/16/47/583561647.db2.gz UMQUOSJBTUOCBM-ZDUSSCGKSA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)N[C@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894973554 583561648 /nfs/dbraw/zinc/56/16/48/583561648.db2.gz UMQUOSJBTUOCBM-ZDUSSCGKSA-N 1 3 239.363 0.539 20 0 BCADHO CCn1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000895205599 583625793 /nfs/dbraw/zinc/62/57/93/583625793.db2.gz QMQRGNXPJZZLDJ-KLPPZKSPSA-N 1 3 237.351 0.728 20 0 BCADHO CON(C)C(=O)[C@H](C)NCC1CC[NH+](C)CC1 ZINC000895666932 583705699 /nfs/dbraw/zinc/70/56/99/583705699.db2.gz ZEKMBYUHKCYRFU-JTQLQIEISA-N 1 3 243.351 0.326 20 0 BCADHO C[C@@H]1[C@@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000895736254 583717743 /nfs/dbraw/zinc/71/77/43/583717743.db2.gz IRYMHTMHNILNMR-KOLCDFICSA-N 1 3 221.304 0.500 20 0 BCADHO C[C@@H]1[C@@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000895736254 583717745 /nfs/dbraw/zinc/71/77/45/583717745.db2.gz IRYMHTMHNILNMR-KOLCDFICSA-N 1 3 221.304 0.500 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000896023326 583764505 /nfs/dbraw/zinc/76/45/05/583764505.db2.gz ZYFQGHBNLKMYAN-VXGBXAGGSA-N 1 3 210.321 0.395 20 0 BCADHO CN1CCC(C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000896023326 583764506 /nfs/dbraw/zinc/76/45/06/583764506.db2.gz ZYFQGHBNLKMYAN-VXGBXAGGSA-N 1 3 210.321 0.395 20 0 BCADHO CCO[C@@H](CNC[C@@H](OC)C1CC1)C[NH+](C)C ZINC000896876250 583844162 /nfs/dbraw/zinc/84/41/62/583844162.db2.gz CNHJURCBZOHIMO-QWHCGFSZSA-N 1 3 244.379 0.968 20 0 BCADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC000897845450 584054160 /nfs/dbraw/zinc/05/41/60/584054160.db2.gz QJQISWSHBAUOTO-TUAOUCFPSA-N 1 3 239.363 0.632 20 0 BCADHO [NH3+][C@H](CO)c1ccc(C=C2CNC2)cc1 ZINC000899328004 584198011 /nfs/dbraw/zinc/19/80/11/584198011.db2.gz LBIQITAWLXOQGU-GFCCVEGCSA-N 1 3 204.273 0.665 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899919609 584252572 /nfs/dbraw/zinc/25/25/72/584252572.db2.gz CGDFWKGFEPVINY-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000899919609 584252573 /nfs/dbraw/zinc/25/25/73/584252573.db2.gz CGDFWKGFEPVINY-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+][C@@H](C)Cc1noc([C@@]2(C)CCCN2)n1 ZINC000900008646 584264824 /nfs/dbraw/zinc/26/48/24/584264824.db2.gz NXVUROABRKCXTL-GZMMTYOYSA-N 1 3 224.308 0.819 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C12CCN(CC1)C2 ZINC000900694028 584339209 /nfs/dbraw/zinc/33/92/09/584339209.db2.gz GAENKNMZZOZYSG-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC000900769857 584349323 /nfs/dbraw/zinc/34/93/23/584349323.db2.gz QKTCCYQCYLOHOS-UHFFFAOYSA-N 1 3 238.335 0.752 20 0 BCADHO C[N@H+](CC(=O)N1CCNC(C)(C)C1)C1CCC1 ZINC000900938338 584367161 /nfs/dbraw/zinc/36/71/61/584367161.db2.gz TVXNJTFKYINUFE-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[N@@H+](CC(=O)N1CCNC(C)(C)C1)C1CCC1 ZINC000900938338 584367162 /nfs/dbraw/zinc/36/71/62/584367162.db2.gz TVXNJTFKYINUFE-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CC(=O)N1CC[NH2+]C(C)(C)C1)C1CCC1 ZINC000900938338 584367163 /nfs/dbraw/zinc/36/71/63/584367163.db2.gz TVXNJTFKYINUFE-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CC(=O)NCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902337169 584565394 /nfs/dbraw/zinc/56/53/94/584565394.db2.gz ZDMXWDSCZGSJAU-LBPRGKRZSA-N 1 3 241.379 0.880 20 0 BCADHO COCC[C@@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383268 584577592 /nfs/dbraw/zinc/57/75/92/584577592.db2.gz KKLZPFGMDVSKPY-RYUDHWBXSA-N 1 3 244.379 0.752 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+]C[C@H]2CNC(=O)C2)C1 ZINC000902390897 584582193 /nfs/dbraw/zinc/58/21/93/584582193.db2.gz QSRKYBGFORYKFP-WDEREUQCSA-N 1 3 239.363 0.490 20 0 BCADHO NOCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902415416 584589871 /nfs/dbraw/zinc/58/98/71/584589871.db2.gz NOTVPLWVLDQECF-TUAOUCFPSA-N 1 3 227.352 0.777 20 0 BCADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCON ZINC000902416600 584590154 /nfs/dbraw/zinc/59/01/54/584590154.db2.gz UPUSDZWERDTNKD-AAEUAGOBSA-N 1 3 237.347 0.815 20 0 BCADHO CC1(C)[C@H]([NH2+]CCCON)[C@@H]2CCCN[C@@H]21 ZINC000902416650 584590295 /nfs/dbraw/zinc/59/02/95/584590295.db2.gz VOGXRMOUUIPTRT-OUAUKWLOSA-N 1 3 227.352 0.633 20 0 BCADHO CC1(C)[C@H](NCCCON)[C@@H]2CCC[NH2+][C@@H]21 ZINC000902416650 584590297 /nfs/dbraw/zinc/59/02/97/584590297.db2.gz VOGXRMOUUIPTRT-OUAUKWLOSA-N 1 3 227.352 0.633 20 0 BCADHO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1N)C1C[NH2+]C1 ZINC000902431593 584595502 /nfs/dbraw/zinc/59/55/02/584595502.db2.gz GCSCYLSAVQHTGF-CUOATXAZSA-N 1 3 231.343 0.809 20 0 BCADHO N[C@@H]1c2ccccc2C[C@H]1NC1CC[NH2+]CC1 ZINC000902434282 584596107 /nfs/dbraw/zinc/59/61/07/584596107.db2.gz NDHNMIHMZUDMFT-ZIAGYGMSSA-N 1 3 231.343 0.953 20 0 BCADHO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902441586 584597568 /nfs/dbraw/zinc/59/75/68/584597568.db2.gz FEPYIVSFPCNKOL-OUAUKWLOSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902474652 584602203 /nfs/dbraw/zinc/60/22/03/584602203.db2.gz HGLIZGVUWGEIHH-DKUYFVBVSA-N 1 3 235.375 0.952 20 0 BCADHO CN1CCC(N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902447855 584604872 /nfs/dbraw/zinc/60/48/72/584604872.db2.gz WMHVCUYMMOSWNO-LLVKDONJSA-N 1 3 211.353 0.668 20 0 BCADHO CC1(C)CCN(CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000902456610 584610138 /nfs/dbraw/zinc/61/01/38/584610138.db2.gz OZWVMWKQRJQEHC-LBPRGKRZSA-N 1 3 241.379 0.296 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000902456215 584610245 /nfs/dbraw/zinc/61/02/45/584610245.db2.gz ODOCJKSWASNHHI-LMLFDSFASA-N 1 3 216.325 0.506 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461035 584611194 /nfs/dbraw/zinc/61/11/94/584611194.db2.gz KRVAHMLNPMXFBN-JZRPKSSGSA-N 1 3 239.363 0.236 20 0 BCADHO Cn1cnc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902462639 584612363 /nfs/dbraw/zinc/61/23/63/584612363.db2.gz WQQCQJPRHSIWEB-GRYCIOLGSA-N 1 3 234.347 0.898 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466238 584614215 /nfs/dbraw/zinc/61/42/15/584614215.db2.gz KRVAHMLNPMXFBN-NJMOYASZSA-N 1 3 239.363 0.236 20 0 BCADHO COC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000902512594 584623065 /nfs/dbraw/zinc/62/30/65/584623065.db2.gz ASWIYQCGVUDCSR-VWYCJHECSA-N 1 3 216.325 0.114 20 0 BCADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902489987 584617526 /nfs/dbraw/zinc/61/75/26/584617526.db2.gz QNSKXHUBOHDXFK-GUBZILKMSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCCO1 ZINC000903458726 584765141 /nfs/dbraw/zinc/76/51/41/584765141.db2.gz IHCMYLYVIBLGNH-WISYIIOYSA-N 1 3 212.337 0.999 20 0 BCADHO COC(=O)C[C@@H]1CCCN1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903455341 584774221 /nfs/dbraw/zinc/77/42/21/584774221.db2.gz UPUZDBHZFNKGAI-WOPDTQHZSA-N 1 3 240.347 0.869 20 0 BCADHO COC[C@@]1(C)CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903473944 584776620 /nfs/dbraw/zinc/77/66/20/584776620.db2.gz CLLLIVIPMSMUML-FRRDWIJNSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@]1([C@H]2CCC[N@H+](CCCN)C2)COC(=O)N1 ZINC000903560812 584782356 /nfs/dbraw/zinc/78/23/56/584782356.db2.gz AUUFECPIKWUKEC-CMPLNLGQSA-N 1 3 241.335 0.546 20 0 BCADHO C[C@]1([C@H]2CCC[N@@H+](CCCN)C2)COC(=O)N1 ZINC000903560812 584782357 /nfs/dbraw/zinc/78/23/57/584782357.db2.gz AUUFECPIKWUKEC-CMPLNLGQSA-N 1 3 241.335 0.546 20 0 BCADHO C[NH2+]CCN(C[C@H]1CCC2(CNC2)O1)C(C)C ZINC000903573619 584784194 /nfs/dbraw/zinc/78/41/94/584784194.db2.gz FBVFFSWWLPNDES-GFCCVEGCSA-N 1 3 241.379 0.437 20 0 BCADHO C[NH2+]CCN(C[C@@H]1CCC2(CNC2)O1)C(C)C ZINC000903573620 584784239 /nfs/dbraw/zinc/78/42/39/584784239.db2.gz FBVFFSWWLPNDES-LBPRGKRZSA-N 1 3 241.379 0.437 20 0 BCADHO COC[C@](C)(CCO)NC[C@@H]1CCCC[NH2+]C1 ZINC000903732802 584792807 /nfs/dbraw/zinc/79/28/07/584792807.db2.gz HZNKKCFEJAIXHX-OLZOCXBDSA-N 1 3 244.379 0.753 20 0 BCADHO C[C@H](O)CCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732293 584792967 /nfs/dbraw/zinc/79/29/67/584792967.db2.gz FARSQWKPVZIEAJ-YNEHKIRRSA-N 1 3 242.363 0.458 20 0 BCADHO O[C@@H]1CCN(CC2CC[NH2+]CC2)C[C@@H]1F ZINC000903712937 584793555 /nfs/dbraw/zinc/79/35/55/584793555.db2.gz VPNAACSISLSICX-WDEREUQCSA-N 1 3 216.300 0.391 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@H](C[NH3+])C1 ZINC000903716194 584794150 /nfs/dbraw/zinc/79/41/50/584794150.db2.gz IUEMKZHMRCDOGL-OUAUKWLOSA-N 1 3 226.320 0.466 20 0 BCADHO [NH3+]C[C@]12CC[C@H]1CCCN2C[C@@H]1CNCCO1 ZINC000903801470 584802138 /nfs/dbraw/zinc/80/21/38/584802138.db2.gz NPAFSTFMMDGMMB-FRRDWIJNSA-N 1 3 239.363 0.178 20 0 BCADHO [NH3+]CCCCCCN1CCO[C@@H]2COCC[C@@H]21 ZINC000903829611 584805442 /nfs/dbraw/zinc/80/54/42/584805442.db2.gz IIBXPDGVAUUPTE-QWHCGFSZSA-N 1 3 242.363 0.995 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCO[C@@H]3COCC[C@@H]32)C1 ZINC000903829755 584805542 /nfs/dbraw/zinc/80/55/42/584805542.db2.gz JNYPJOXSOHDGPW-QNWHQSFQSA-N 1 3 240.347 0.604 20 0 BCADHO C[C@@H]1CSCCCN1CCN1CC[NH2+]CC1 ZINC000903829389 584805809 /nfs/dbraw/zinc/80/58/09/584805809.db2.gz FQEDSPQLXKTIPM-GFCCVEGCSA-N 1 3 243.420 0.719 20 0 BCADHO CCOCCOCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903864715 584813310 /nfs/dbraw/zinc/81/33/10/584813310.db2.gz VZKZRNFIILGTTO-STQMWFEESA-N 1 3 242.363 0.853 20 0 BCADHO CCOCCOCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903864715 584813312 /nfs/dbraw/zinc/81/33/12/584813312.db2.gz VZKZRNFIILGTTO-STQMWFEESA-N 1 3 242.363 0.853 20 0 BCADHO Cc1c(C[C@@H](C[NH3+])CN2CCCC2)cnn1C ZINC000903872055 584815145 /nfs/dbraw/zinc/81/51/45/584815145.db2.gz CAVWVWOFESNXAW-LBPRGKRZSA-N 1 3 236.363 0.942 20 0 BCADHO NC(=O)CC1(NC[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000903876377 584816710 /nfs/dbraw/zinc/81/67/10/584816710.db2.gz XSHXPKMMVSDWNU-LLVKDONJSA-N 1 3 239.363 0.764 20 0 BCADHO N[C@@H](CC(F)F)C[N@H+](CCCO)C1CC1 ZINC000903893757 584818675 /nfs/dbraw/zinc/81/86/75/584818675.db2.gz ZBGWRXYGNAVVKW-QMMMGPOBSA-N 1 3 222.279 0.816 20 0 BCADHO N[C@@H](CC(F)F)C[N@@H+](CCCO)C1CC1 ZINC000903893757 584818676 /nfs/dbraw/zinc/81/86/76/584818676.db2.gz ZBGWRXYGNAVVKW-QMMMGPOBSA-N 1 3 222.279 0.816 20 0 BCADHO CNC(=O)CC[N@H+](C)C[C@H](N)CC(F)F ZINC000903892826 584818737 /nfs/dbraw/zinc/81/87/37/584818737.db2.gz XLKHMYJEFMAZQG-SSDOTTSWSA-N 1 3 223.267 0.037 20 0 BCADHO CNC(=O)CC[N@@H+](C)C[C@H](N)CC(F)F ZINC000903892826 584818739 /nfs/dbraw/zinc/81/87/39/584818739.db2.gz XLKHMYJEFMAZQG-SSDOTTSWSA-N 1 3 223.267 0.037 20 0 BCADHO C[C@@H](O)C(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC000903902526 584820933 /nfs/dbraw/zinc/82/09/33/584820933.db2.gz IPNRQNPAFGEOAW-RQJHMYQMSA-N 1 3 210.268 0.718 20 0 BCADHO CC(C)(C)[C@@H](CN)[NH2+]C[C@H](N)CC(F)F ZINC000903920001 584822895 /nfs/dbraw/zinc/82/28/95/584822895.db2.gz RCQUTLCCZRFZCQ-HTQZYQBOSA-N 1 3 223.311 0.932 20 0 BCADHO CC(C)(C)[C@H](CN)[NH2+]C[C@@H](N)CC(F)F ZINC000903920004 584823104 /nfs/dbraw/zinc/82/31/04/584823104.db2.gz RCQUTLCCZRFZCQ-YUMQZZPRSA-N 1 3 223.311 0.932 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@H]([NH3+])CC(F)F ZINC000903923579 584823979 /nfs/dbraw/zinc/82/39/79/584823979.db2.gz XQLKIFGBAUEYQR-RKDXNWHRSA-N 1 3 232.278 0.844 20 0 BCADHO CC(C)C[C@@H](CN)[NH2+]C[C@@H](N)CC(F)F ZINC000903918095 584827085 /nfs/dbraw/zinc/82/70/85/584827085.db2.gz RRUTWNVLBKVINR-IUCAKERBSA-N 1 3 223.311 0.932 20 0 BCADHO COC[C@@H](NCCC[NH3+])[C@@H]1CCCOC1 ZINC000903959418 584827402 /nfs/dbraw/zinc/82/74/02/584827402.db2.gz HTMDXAXZQRETLP-GHMZBOCLSA-N 1 3 216.325 0.366 20 0 BCADHO COC[C@@H]([NH2+]CCCN)[C@@H]1CCCOC1 ZINC000903959418 584827403 /nfs/dbraw/zinc/82/74/03/584827403.db2.gz HTMDXAXZQRETLP-GHMZBOCLSA-N 1 3 216.325 0.366 20 0 BCADHO C[C@@H]1C[C@H](CN2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951354 584830959 /nfs/dbraw/zinc/83/09/59/584830959.db2.gz WPGQUQMRBSIZJC-VXGBXAGGSA-N 1 3 249.362 0.872 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1nccn1C ZINC000903974163 584832680 /nfs/dbraw/zinc/83/26/80/584832680.db2.gz KQIXSDDHMPIUHH-GHMZBOCLSA-N 1 3 222.336 0.755 20 0 BCADHO CC[C@@H](COC)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968026 584835134 /nfs/dbraw/zinc/83/51/34/584835134.db2.gz PQWCREFICZNFCI-VWYCJHECSA-N 1 3 200.326 0.857 20 0 BCADHO C[C@]1(CN2CC[C@@H](CO)C2)CCC[NH2+]C1 ZINC000904315875 584860097 /nfs/dbraw/zinc/86/00/97/584860097.db2.gz GAUVBINWOMSRLY-NEPJUHHUSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@]1(C[N@@H+]2CC[C@@H](CO)C2)CCCNC1 ZINC000904315875 584860098 /nfs/dbraw/zinc/86/00/98/584860098.db2.gz GAUVBINWOMSRLY-NEPJUHHUSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@]1(C[N@H+]2CC[C@@H](CO)C2)CCCNC1 ZINC000904315875 584860100 /nfs/dbraw/zinc/86/01/00/584860100.db2.gz GAUVBINWOMSRLY-NEPJUHHUSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@]1(CN2CCC(C(N)=O)CC2)CCC[NH2+]C1 ZINC000904302277 584861945 /nfs/dbraw/zinc/86/19/45/584861945.db2.gz UGYMMGKUXCRVEC-ZDUSSCGKSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C[NH+]2CCC(C(N)=O)CC2)CCCNC1 ZINC000904302277 584861947 /nfs/dbraw/zinc/86/19/47/584861947.db2.gz UGYMMGKUXCRVEC-ZDUSSCGKSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)[C@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303790 584862360 /nfs/dbraw/zinc/86/23/60/584862360.db2.gz HKPBGRINTBFGKR-KXUCPTDWSA-N 1 3 211.309 0.064 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCC[C@@H]2C(=O)NC2CC2)C1 ZINC000904309281 584862571 /nfs/dbraw/zinc/86/25/71/584862571.db2.gz GKPRPEADCRDFOI-JFGNBEQYSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCN(c3cccnn3)CC2)C1 ZINC000904316342 584863339 /nfs/dbraw/zinc/86/33/39/584863339.db2.gz LYHQSEYTIFDLCK-TXEJJXNPSA-N 1 3 247.346 0.336 20 0 BCADHO CCCCN(CC(N)=O)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313231 584863696 /nfs/dbraw/zinc/86/36/96/584863696.db2.gz XGJRTGTXNBPXBM-AOOOYVTPSA-N 1 3 213.325 0.311 20 0 BCADHO CCC[C@@H]1C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326984 584865325 /nfs/dbraw/zinc/86/53/25/584865325.db2.gz VPVBZEKSUYMULW-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904327016 584865465 /nfs/dbraw/zinc/86/54/65/584865465.db2.gz XAFSXECOFIQRFC-DGCLKSJQSA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@]1(C)CCCNC1 ZINC000904327016 584865467 /nfs/dbraw/zinc/86/54/67/584865467.db2.gz XAFSXECOFIQRFC-DGCLKSJQSA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000904327016 584865469 /nfs/dbraw/zinc/86/54/69/584865469.db2.gz XAFSXECOFIQRFC-DGCLKSJQSA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)CCCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904325244 584865544 /nfs/dbraw/zinc/86/55/44/584865544.db2.gz UFQXGCLVGMTSSM-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO CNC(=O)CCC[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000904325244 584865545 /nfs/dbraw/zinc/86/55/45/584865545.db2.gz UFQXGCLVGMTSSM-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO CNC(=O)CCC[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000904325244 584865546 /nfs/dbraw/zinc/86/55/46/584865546.db2.gz UFQXGCLVGMTSSM-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO COC(=O)[C@@H]1C[C@@H](C)CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345304 584868113 /nfs/dbraw/zinc/86/81/13/584868113.db2.gz CSOHYRMJIRISLQ-YFKTTZPYSA-N 1 3 240.347 0.997 20 0 BCADHO CC[C@@H](C)N(CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346612 584868349 /nfs/dbraw/zinc/86/83/49/584868349.db2.gz WHPNQLBLVCUJTG-MXWKQRLJSA-N 1 3 228.336 0.997 20 0 BCADHO COC(=O)[C@H]1C[C@@H](C)CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345300 584868570 /nfs/dbraw/zinc/86/85/70/584868570.db2.gz CSOHYRMJIRISLQ-NNYUYHANSA-N 1 3 240.347 0.997 20 0 BCADHO C[C@]1(CN[C@@H]2CNCCC2(F)F)CCC[NH2+]C1 ZINC000904354649 584870790 /nfs/dbraw/zinc/87/07/90/584870790.db2.gz IGQIIXXETFWIKS-MNOVXSKESA-N 1 3 247.333 0.963 20 0 BCADHO Nc1ccc(CN[C@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC000904354832 584870929 /nfs/dbraw/zinc/87/09/29/584870929.db2.gz JNOYYZNXJYQWFO-BDAKNGLRSA-N 1 3 221.308 0.276 20 0 BCADHO CC(C)N1CC[C@@H](NC2CC(C[NH3+])C2)C1=O ZINC000904363454 584874325 /nfs/dbraw/zinc/87/43/25/584874325.db2.gz FXHFGSUXNIQGGD-VQXHTEKXSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@]1(CNCCn2ccnc2)CCC[NH2+]C1 ZINC000904365296 584874946 /nfs/dbraw/zinc/87/49/46/584874946.db2.gz YNPGQLXNWTYTCS-LBPRGKRZSA-N 1 3 222.336 0.862 20 0 BCADHO C[C@]1(C[NH2+]CCn2ccnc2)CCCNC1 ZINC000904365296 584874948 /nfs/dbraw/zinc/87/49/48/584874948.db2.gz YNPGQLXNWTYTCS-LBPRGKRZSA-N 1 3 222.336 0.862 20 0 BCADHO C[C@@H]1CN(Cc2ccc(N)nn2)CC[C@@H]1C[NH3+] ZINC000904409586 584879227 /nfs/dbraw/zinc/87/92/27/584879227.db2.gz CWTRJHVOHLVTIE-NXEZZACHSA-N 1 3 235.335 0.476 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000876864198 584887479 /nfs/dbraw/zinc/88/74/79/584887479.db2.gz LCHSZDXUFSFUSL-IUCAKERBSA-N 1 3 245.273 0.147 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC000763042784 585441786 /nfs/dbraw/zinc/44/17/86/585441786.db2.gz BIFRNUMJIWIIQM-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC000763042784 585441787 /nfs/dbraw/zinc/44/17/87/585441787.db2.gz BIFRNUMJIWIIQM-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO Cc1nccn1CC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000766248373 585499339 /nfs/dbraw/zinc/49/93/39/585499339.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CC[N@H+]1CCN(C)[C@@H](C)C1 ZINC000766248373 585499340 /nfs/dbraw/zinc/49/93/40/585499340.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000766248373 585499341 /nfs/dbraw/zinc/49/93/41/585499341.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@@H+](C)[C@@H](C)C1 ZINC000766248373 585499342 /nfs/dbraw/zinc/49/93/42/585499342.db2.gz NVWOGMWXYZYTGJ-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1cc(N(C)CC[N@H+](C)C2CC2)nc(N)n1 ZINC000770221309 585571887 /nfs/dbraw/zinc/57/18/87/585571887.db2.gz JJGMRCHADZSSMP-UHFFFAOYSA-N 1 3 235.335 0.898 20 0 BCADHO Cc1cc(N(C)CC[N@@H+](C)C2CC2)nc(N)n1 ZINC000770221309 585571888 /nfs/dbraw/zinc/57/18/88/585571888.db2.gz JJGMRCHADZSSMP-UHFFFAOYSA-N 1 3 235.335 0.898 20 0 BCADHO OCC[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803380 585600462 /nfs/dbraw/zinc/60/04/62/585600462.db2.gz ZRFUQVUGZZMZRD-STQMWFEESA-N 1 3 242.363 0.194 20 0 BCADHO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc(N)n1 ZINC000785836790 585881764 /nfs/dbraw/zinc/88/17/64/585881764.db2.gz GFJFGWLPPMNALB-VHSXEESVSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@H](C)[N@H+](C)C[C@H]2C)nc(N)n1 ZINC000785836790 585881765 /nfs/dbraw/zinc/88/17/65/585881765.db2.gz GFJFGWLPPMNALB-VHSXEESVSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@H](C)N(C)C[C@H]2C)nc(N)[nH+]1 ZINC000785836790 585881766 /nfs/dbraw/zinc/88/17/66/585881766.db2.gz GFJFGWLPPMNALB-VHSXEESVSA-N 1 3 235.335 0.896 20 0 BCADHO CNC(=O)[C@@H]1CCCN1CC1CC[NH+](C)CC1 ZINC000788478392 585925266 /nfs/dbraw/zinc/92/52/66/585925266.db2.gz JMVAXGSRJAGDRC-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](CNC(=S)NCCN(C)C)C[NH+](C)C ZINC000793260959 586015274 /nfs/dbraw/zinc/01/52/74/586015274.db2.gz VMOJGBVBSRZNIU-SNVBAGLBSA-N 1 3 246.424 0.210 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+]C[C@H](O)C1CC1 ZINC000843105730 586384300 /nfs/dbraw/zinc/38/43/00/586384300.db2.gz UYXDCPLYRXHGBA-OLZOCXBDSA-N 1 3 244.379 0.440 20 0 BCADHO CN1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)C1 ZINC000817888521 586832054 /nfs/dbraw/zinc/83/20/54/586832054.db2.gz HGLLXMXHQMHZAD-SDDRHHMPSA-N 1 3 211.353 0.940 20 0 BCADHO CN1CC[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000817888521 586832057 /nfs/dbraw/zinc/83/20/57/586832057.db2.gz HGLLXMXHQMHZAD-SDDRHHMPSA-N 1 3 211.353 0.940 20 0 BCADHO NC1(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000818534968 586898369 /nfs/dbraw/zinc/89/83/69/586898369.db2.gz RSCRPMMJYOLODK-UHFFFAOYSA-N 1 3 233.315 0.295 20 0 BCADHO CCNCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818542493 586898832 /nfs/dbraw/zinc/89/88/32/586898832.db2.gz NZSAHOVXFJPXTI-UHFFFAOYSA-N 1 3 237.303 0.572 20 0 BCADHO [NH3+]CCc1ccc(CNC(=O)CNC2CC2)cc1 ZINC000818536641 586899001 /nfs/dbraw/zinc/89/90/01/586899001.db2.gz ZLEVMWAESKTNHR-UHFFFAOYSA-N 1 3 247.342 0.556 20 0 BCADHO NC1(C(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000818542486 586899005 /nfs/dbraw/zinc/89/90/05/586899005.db2.gz NLQZSFVGHNAJHO-UHFFFAOYSA-N 1 3 235.287 0.454 20 0 BCADHO CC(C)(C[NH3+])NC(=O)c1cccc(CN)c1 ZINC000818544312 586899385 /nfs/dbraw/zinc/89/93/85/586899385.db2.gz KRSYWVTXJPJPHW-UHFFFAOYSA-N 1 3 221.304 0.612 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612719 586905603 /nfs/dbraw/zinc/90/56/03/586905603.db2.gz UONDCSIEMUAFJN-ZWNOBZJWSA-N 1 3 237.347 0.339 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612717 586906790 /nfs/dbraw/zinc/90/67/90/586906790.db2.gz UONDCSIEMUAFJN-GXFFZTMASA-N 1 3 237.347 0.339 20 0 BCADHO CN(CC[NH+](C)C)C(=O)CN1CCCC1 ZINC000820527595 587052681 /nfs/dbraw/zinc/05/26/81/587052681.db2.gz PVTCQSKTJMNUAM-UHFFFAOYSA-N 1 3 213.325 0.102 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163852 589085033 /nfs/dbraw/zinc/08/50/33/589085033.db2.gz BHEXEHIWOKODTE-GRYCIOLGSA-N 1 3 238.331 0.576 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163852 589085035 /nfs/dbraw/zinc/08/50/35/589085035.db2.gz BHEXEHIWOKODTE-GRYCIOLGSA-N 1 3 238.331 0.576 20 0 BCADHO C[NH+](C)CC1CCN(C[C@@H]2CCC(=O)O2)CC1 ZINC000821355597 587110985 /nfs/dbraw/zinc/11/09/85/587110985.db2.gz VWMSPJZAQMTJEG-LBPRGKRZSA-N 1 3 240.347 0.966 20 0 BCADHO CN(CCC[NH+](C)C)C(=O)CN1CCCC1 ZINC000821720954 587135876 /nfs/dbraw/zinc/13/58/76/587135876.db2.gz VHINQMHZECHHGZ-UHFFFAOYSA-N 1 3 227.352 0.492 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CN2CCCC2)CC[NH2+]1 ZINC000824778600 587287002 /nfs/dbraw/zinc/28/70/02/587287002.db2.gz LGRMQMQNAPWEMM-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(c2ccncc2)CC1 ZINC000825990910 587347896 /nfs/dbraw/zinc/34/78/96/587347896.db2.gz ZHXOKVJKOARSBA-NWDGAFQWSA-N 1 3 246.314 0.077 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCC[C@@H]1C ZINC000831970497 587639776 /nfs/dbraw/zinc/63/97/76/587639776.db2.gz HKTOYUYZSLSCDS-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000831971048 587640195 /nfs/dbraw/zinc/64/01/95/587640195.db2.gz QFLUEHJTSUPHJX-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000831971045 587640263 /nfs/dbraw/zinc/64/02/63/587640263.db2.gz QFLUEHJTSUPHJX-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970629 587640266 /nfs/dbraw/zinc/64/02/66/587640266.db2.gz JWUNCSYGRLJUCV-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970629 587640267 /nfs/dbraw/zinc/64/02/67/587640267.db2.gz JWUNCSYGRLJUCV-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)CNC1CC1 ZINC000831971479 587640377 /nfs/dbraw/zinc/64/03/77/587640377.db2.gz YQOGUYCESHXULJ-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]1CCC[N@H+]1CCNC(=O)CNC1CC1 ZINC000831971479 587640378 /nfs/dbraw/zinc/64/03/78/587640378.db2.gz YQOGUYCESHXULJ-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970421 587640727 /nfs/dbraw/zinc/64/07/27/587640727.db2.gz HBHGNFNBJYGIBF-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970421 587640728 /nfs/dbraw/zinc/64/07/28/587640728.db2.gz HBHGNFNBJYGIBF-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000831970265 587640959 /nfs/dbraw/zinc/64/09/59/587640959.db2.gz BDRQPXUHIKFDKW-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C(C)(C)[NH3+] ZINC000831970958 587640986 /nfs/dbraw/zinc/64/09/86/587640986.db2.gz OZFPETWXOGESIB-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)CCN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000832158354 587646949 /nfs/dbraw/zinc/64/69/49/587646949.db2.gz KTIIOIBHMHILHT-LBPRGKRZSA-N 1 3 243.326 0.241 20 0 BCADHO CN(C)CCN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000832158350 587647156 /nfs/dbraw/zinc/64/71/56/587647156.db2.gz KTIIOIBHMHILHT-GFCCVEGCSA-N 1 3 243.326 0.241 20 0 BCADHO NCc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000832244077 587651956 /nfs/dbraw/zinc/65/19/56/587651956.db2.gz JBMDFSCBCFZFAB-LLVKDONJSA-N 1 3 219.288 0.319 20 0 BCADHO NCc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000832458044 587661177 /nfs/dbraw/zinc/66/11/77/587661177.db2.gz BFHISIXCHPYNAQ-LBPRGKRZSA-N 1 3 247.342 0.956 20 0 BCADHO C[C@H](NC(=O)[C@@]1(F)CCNC1)[C@@H]1CCC[NH2+]C1 ZINC000832498179 587663561 /nfs/dbraw/zinc/66/35/61/587663561.db2.gz WSTDJXVXKJDDAP-HOSYDEDBSA-N 1 3 243.326 0.192 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN)c2)C1 ZINC000832555055 587666499 /nfs/dbraw/zinc/66/64/99/587666499.db2.gz ZMBKHVPFJCRKIN-ZDUSSCGKSA-N 1 3 247.342 0.969 20 0 BCADHO CN(C(=O)[C@]1(F)CCNC1)C1CCC([NH3+])CC1 ZINC000832829404 587692774 /nfs/dbraw/zinc/69/27/74/587692774.db2.gz VYAYLBHUPNHBMU-CBINBANVSA-N 1 3 243.326 0.416 20 0 BCADHO O=C(CNC1CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834427176 587754889 /nfs/dbraw/zinc/75/48/89/587754889.db2.gz XKYAXHCQCDUAHZ-UHFFFAOYSA-N 1 3 237.347 0.341 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000834452997 587755329 /nfs/dbraw/zinc/75/53/29/587755329.db2.gz MEKVCMMZAJIIIB-VIFPVBQESA-N 1 3 221.304 0.612 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CC[C@H]1[NH3+] ZINC000834648270 587762619 /nfs/dbraw/zinc/76/26/19/587762619.db2.gz ULAXIFZCGYKCTG-CKYFFXLPSA-N 1 3 243.326 0.274 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000834703519 587764727 /nfs/dbraw/zinc/76/47/27/587764727.db2.gz MHLWPHLKFZDGSB-JQWIXIFHSA-N 1 3 243.326 0.275 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000834846071 587768427 /nfs/dbraw/zinc/76/84/27/587768427.db2.gz MRDVFXSONAYKIM-SFYZADRCSA-N 1 3 247.289 0.098 20 0 BCADHO C[C@H](CNC(=O)N[C@@H](C)C[NH3+])N1CCCCC1 ZINC000841725593 587973129 /nfs/dbraw/zinc/97/31/29/587973129.db2.gz NRFBEEWWZYHMTN-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000841831017 587976245 /nfs/dbraw/zinc/97/62/45/587976245.db2.gz DJRGPWUVTNAXKJ-GXSJLCMTSA-N 1 3 240.351 0.117 20 0 BCADHO O=C(N(C1CC1)[C@H]1CC[NH2+]C1)[C@]1(F)CCNC1 ZINC000841848626 587978053 /nfs/dbraw/zinc/97/80/53/587978053.db2.gz SUFYJZZHKRBFRT-JQWIXIFHSA-N 1 3 241.310 0.041 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@@]1(F)CC[NH2+]C1 ZINC000841852155 587978307 /nfs/dbraw/zinc/97/83/07/587978307.db2.gz GGUQXUSENNWVIA-CYBMUJFWSA-N 1 3 249.289 0.930 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCN1 ZINC000841851236 587978330 /nfs/dbraw/zinc/97/83/30/587978330.db2.gz IMOUKTAYIBXIQP-ZYHUDNBSSA-N 1 3 243.326 0.144 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)NC1CC1 ZINC000841851081 587978377 /nfs/dbraw/zinc/97/83/77/587978377.db2.gz KCBAMPNEHXKUQY-YWVKMMECSA-N 1 3 243.326 0.285 20 0 BCADHO [NH3+]C1(CC(=O)N[C@H]2CNCCC2(F)F)CCC1 ZINC000841852695 587978440 /nfs/dbraw/zinc/97/84/40/587978440.db2.gz OLVMAUCEVWZFIW-QMMMGPOBSA-N 1 3 247.289 0.371 20 0 BCADHO CCNCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000841850928 587978554 /nfs/dbraw/zinc/97/85/54/587978554.db2.gz JBCVLFLDVVJAIW-XYPYZODXSA-N 1 3 227.352 0.477 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CCCCC[NH3+])CCN1 ZINC000841852049 587978594 /nfs/dbraw/zinc/97/85/94/587978594.db2.gz VYEROAYWBAISGB-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[NH2+]CCCN(C)C(=O)c1cccc(CN)c1 ZINC000842510357 588031682 /nfs/dbraw/zinc/03/16/82/588031682.db2.gz QGKZHQYKQNLHQW-UHFFFAOYSA-N 1 3 235.331 0.827 20 0 BCADHO [NH3+]CCc1noc(C2CCN(C3CC3)CC2)n1 ZINC000843131550 588085401 /nfs/dbraw/zinc/08/54/01/588085401.db2.gz MLFXDWBOLIGFCX-UHFFFAOYSA-N 1 3 236.319 0.913 20 0 BCADHO C[C@H]1NCCN(C(=O)CCCCC[NH3+])[C@@H]1C ZINC000843474351 588113777 /nfs/dbraw/zinc/11/37/77/588113777.db2.gz YNJHVAZWNGKGDW-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1NCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000843473819 588114182 /nfs/dbraw/zinc/11/41/82/588114182.db2.gz PYPDCSBSZZJAFJ-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843484821 588114543 /nfs/dbraw/zinc/11/45/43/588114543.db2.gz LWSCTUYPRNLSSS-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)CNCC ZINC000843494741 588115584 /nfs/dbraw/zinc/11/55/84/588115584.db2.gz WSWRQUXCIZYATH-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)CNCC ZINC000843494741 588115586 /nfs/dbraw/zinc/11/55/86/588115586.db2.gz WSWRQUXCIZYATH-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CCNCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000843498894 588116442 /nfs/dbraw/zinc/11/64/42/588116442.db2.gz VRXNUGQGKIMIBV-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+]CCCCCCNC(=O)[C@H]1CCCCN1 ZINC000843504968 588117185 /nfs/dbraw/zinc/11/71/85/588117185.db2.gz AYOKQIBHJUCDFY-LLVKDONJSA-N 1 3 227.352 0.764 20 0 BCADHO [NH3+]CCCCCCNC(=O)[C@]1(F)CCNC1 ZINC000843505798 588117193 /nfs/dbraw/zinc/11/71/93/588117193.db2.gz NHPOVIOXEBPHIQ-NSHDSACASA-N 1 3 231.315 0.323 20 0 BCADHO CCNCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843514588 588118270 /nfs/dbraw/zinc/11/82/70/588118270.db2.gz ZDDVLPJMZFVNOR-JTQLQIEISA-N 1 3 225.336 0.387 20 0 BCADHO CCNCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000844178107 588172187 /nfs/dbraw/zinc/17/21/87/588172187.db2.gz KJNPAWIEHZCZBY-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO O=C(NCCC1CC[NH2+]CC1)[C@]1(F)CCNC1 ZINC000846700167 588283559 /nfs/dbraw/zinc/28/35/59/588283559.db2.gz QZSPMWYJDPCUOI-LBPRGKRZSA-N 1 3 243.326 0.194 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CCO)C1CC1 ZINC000846855321 588293398 /nfs/dbraw/zinc/29/33/98/588293398.db2.gz UQUGDBTVNRNNLC-NWDGAFQWSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CCO)C1CC1 ZINC000846855321 588293399 /nfs/dbraw/zinc/29/33/99/588293399.db2.gz UQUGDBTVNRNNLC-NWDGAFQWSA-N 1 3 230.352 0.050 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848417664 588382432 /nfs/dbraw/zinc/38/24/32/588382432.db2.gz CTLRURRIJLGCOS-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722352 588408610 /nfs/dbraw/zinc/40/86/10/588408610.db2.gz SLGNIPOBDFQHAK-ATZCPNFKSA-N 1 3 241.335 0.685 20 0 BCADHO Cn1ncc(CCC[NH2+][C@@H]2CCC[C@H](N)C2)n1 ZINC000848720091 588408673 /nfs/dbraw/zinc/40/86/73/588408673.db2.gz JIBURTSHDGXDAR-WDEREUQCSA-N 1 3 237.351 0.607 20 0 BCADHO Cn1ncc(CCCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000848720091 588408674 /nfs/dbraw/zinc/40/86/74/588408674.db2.gz JIBURTSHDGXDAR-WDEREUQCSA-N 1 3 237.351 0.607 20 0 BCADHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CCCC1 ZINC000848986539 588425539 /nfs/dbraw/zinc/42/55/39/588425539.db2.gz CYCYAPQVLHVEOA-QWRGUYRKSA-N 1 3 242.367 0.620 20 0 BCADHO CCCNC(=[NH2+])NCCNc1ccncc1 ZINC000848995179 588428744 /nfs/dbraw/zinc/42/87/44/588428744.db2.gz BYDGVNLQEJZARI-UHFFFAOYSA-N 1 3 221.308 0.439 20 0 BCADHO COCCNC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004322 588431856 /nfs/dbraw/zinc/43/18/56/588431856.db2.gz MNRYEQSXIPTGOP-SNVBAGLBSA-N 1 3 228.340 0.089 20 0 BCADHO CN1CCC[C@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849005269 588432362 /nfs/dbraw/zinc/43/23/62/588432362.db2.gz JFMWYSDLYZABAV-SNVBAGLBSA-N 1 3 224.352 0.995 20 0 BCADHO CC[C@H](CO)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849017040 588437446 /nfs/dbraw/zinc/43/74/46/588437446.db2.gz YAKJIKXLXOKKQW-MNOVXSKESA-N 1 3 242.367 0.356 20 0 BCADHO CN(C)C(=[NH2+])NCCN1CCN(C)C(C)(C)C1 ZINC000849026660 588440939 /nfs/dbraw/zinc/44/09/39/588440939.db2.gz MOWOJLHXIMODJN-UHFFFAOYSA-N 1 3 241.383 0.098 20 0 BCADHO CCCNC(=[NH2+])NCCCN(C)CCN(C)C ZINC000849028460 588441529 /nfs/dbraw/zinc/44/15/29/588441529.db2.gz WNSOVEODRMGRFJ-UHFFFAOYSA-N 1 3 243.399 0.394 20 0 BCADHO COC[C@H](C)NC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030417 588442224 /nfs/dbraw/zinc/44/22/24/588442224.db2.gz OEVYIPDNDSDBQB-UWVGGRQHSA-N 1 3 230.356 0.333 20 0 BCADHO c1cc(NCCNC2=[NH+]CCCCN2)ccn1 ZINC000849215564 588462438 /nfs/dbraw/zinc/46/24/38/588462438.db2.gz QOAQKVZXUVWGEU-UHFFFAOYSA-N 1 3 233.319 0.244 20 0 BCADHO CCNCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000851646082 588612928 /nfs/dbraw/zinc/61/29/28/588612928.db2.gz VYOOCKLDPGKOBW-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852747894 588699302 /nfs/dbraw/zinc/69/93/02/588699302.db2.gz ASBFQOPVVPJVJM-STQMWFEESA-N 1 3 239.363 0.050 20 0 BCADHO O=C(NC1CC[NH2+]CC1)[C@@H]1NCC12CCCC2 ZINC000852824947 588705935 /nfs/dbraw/zinc/70/59/35/588705935.db2.gz DCFDDGYTFDGDTD-NSHDSACASA-N 1 3 237.347 0.387 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000852838749 588707065 /nfs/dbraw/zinc/70/70/65/588707065.db2.gz NSEZMIRLCNUVQA-AXFHLTTASA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000852838749 588707066 /nfs/dbraw/zinc/70/70/66/588707066.db2.gz NSEZMIRLCNUVQA-AXFHLTTASA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](CCNC(=O)[C@@]1(F)CCNC1)[NH+](C)C ZINC000852846149 588707833 /nfs/dbraw/zinc/70/78/33/588707833.db2.gz DBHHCICTDFIKLQ-GXSJLCMTSA-N 1 3 231.315 0.144 20 0 BCADHO CN1CCC[C@@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861816 588709058 /nfs/dbraw/zinc/70/90/58/588709058.db2.gz KJCRIWHHKKQERR-GFCCVEGCSA-N 1 3 237.347 0.507 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000861651529 589173327 /nfs/dbraw/zinc/17/33/27/589173327.db2.gz VHLOGMJWRAZWDT-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CCn1ncc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000863540864 589296467 /nfs/dbraw/zinc/29/64/67/589296467.db2.gz USVJZUYRLGEIAA-IJLUTSLNSA-N 1 3 249.362 0.776 20 0 BCADHO [NH3+]CCCOCCN[C@@H]1CCCc2n[nH]cc21 ZINC000863544821 589297900 /nfs/dbraw/zinc/29/79/00/589297900.db2.gz BYPBMJGAQBIBEB-LLVKDONJSA-N 1 3 238.335 0.742 20 0 BCADHO [NH3+]CCCOCCN[C@H]1CCCc2n[nH]cc21 ZINC000863544822 589297984 /nfs/dbraw/zinc/29/79/84/589297984.db2.gz BYPBMJGAQBIBEB-NSHDSACASA-N 1 3 238.335 0.742 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N(C)C ZINC000863585259 589301993 /nfs/dbraw/zinc/30/19/93/589301993.db2.gz SYQZKDDWJJLZHQ-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)N1CCCC1 ZINC000864454312 589365939 /nfs/dbraw/zinc/36/59/39/589365939.db2.gz WKJLFLQIVSKUMW-VWYCJHECSA-N 1 3 224.352 0.993 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864453720 589366205 /nfs/dbraw/zinc/36/62/05/589366205.db2.gz BCYOBBSABHOTLI-WDEREUQCSA-N 1 3 242.367 0.477 20 0 BCADHO C[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCCN(C)C1 ZINC000864457265 589367298 /nfs/dbraw/zinc/36/72/98/589367298.db2.gz CCEUOIDUVOOVTN-OUAUKWLOSA-N 1 3 224.352 0.851 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000866659491 589508251 /nfs/dbraw/zinc/50/82/51/589508251.db2.gz MNCCQHIUQCEIHX-QWRGUYRKSA-N 1 3 235.335 0.436 20 0 BCADHO NCCC[N@@H+]1CCCCCCNC(=O)CC1 ZINC000866684106 589511283 /nfs/dbraw/zinc/51/12/83/589511283.db2.gz JCZKNZVOONEGIK-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO NCCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000866684106 589511284 /nfs/dbraw/zinc/51/12/84/589511284.db2.gz JCZKNZVOONEGIK-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO [NH3+]CCCN1CCCCCCNC(=O)CC1 ZINC000866684106 589511285 /nfs/dbraw/zinc/51/12/85/589511285.db2.gz JCZKNZVOONEGIK-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704015 589513476 /nfs/dbraw/zinc/51/34/76/589513476.db2.gz NUKIBUGMNUFISW-TUAOUCFPSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866704015 589513477 /nfs/dbraw/zinc/51/34/77/589513477.db2.gz NUKIBUGMNUFISW-TUAOUCFPSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@H]2CSC[C@H]2C1 ZINC000866704015 589513478 /nfs/dbraw/zinc/51/34/78/589513478.db2.gz NUKIBUGMNUFISW-TUAOUCFPSA-N 1 3 244.404 0.642 20 0 BCADHO C[C@@H](NC(=O)[C@H]1NCC1(C)C)C1CC[NH2+]CC1 ZINC000868006838 589543822 /nfs/dbraw/zinc/54/38/22/589543822.db2.gz YKTLYZBJIZNANT-MWLCHTKSSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1NCC1(C)C)C1CC[NH2+]CC1 ZINC000868006837 589543941 /nfs/dbraw/zinc/54/39/41/589543941.db2.gz YKTLYZBJIZNANT-KOLCDFICSA-N 1 3 239.363 0.489 20 0 BCADHO CCNCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000868036189 589545269 /nfs/dbraw/zinc/54/52/69/589545269.db2.gz UXWWMYMXCJTWPX-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000868036187 589545445 /nfs/dbraw/zinc/54/54/45/589545445.db2.gz UXWWMYMXCJTWPX-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000870892814 589695278 /nfs/dbraw/zinc/69/52/78/589695278.db2.gz MPHLRUYFWIARJI-AXFHLTTASA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)CN1 ZINC000870912400 589696250 /nfs/dbraw/zinc/69/62/50/589696250.db2.gz FWOBVXZMLSNFFR-BJDJZHNGSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)CN1 ZINC000870912401 589696524 /nfs/dbraw/zinc/69/65/24/589696524.db2.gz FWOBVXZMLSNFFR-DDHJBXDOSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC[NH2+]CC1CC1 ZINC000870912536 589696773 /nfs/dbraw/zinc/69/67/73/589696773.db2.gz HIHZWZNYDQYLCI-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)[C@H](C)CN1 ZINC000870912533 589696997 /nfs/dbraw/zinc/69/69/97/589696997.db2.gz HIHZWZNYDQYLCI-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC[C@H]1F ZINC000870957594 589701389 /nfs/dbraw/zinc/70/13/89/589701389.db2.gz OWZKUGZORSXWKD-GWOFURMSSA-N 1 3 243.326 0.402 20 0 BCADHO N[C@@H]1CN(C(=O)CC[NH2+]CC2CC2)CC[C@H]1F ZINC000870957497 589701466 /nfs/dbraw/zinc/70/14/66/589701466.db2.gz MIWUSSGWZITISJ-GHMZBOCLSA-N 1 3 243.326 0.274 20 0 BCADHO NCc1cccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000870972093 589703782 /nfs/dbraw/zinc/70/37/82/589703782.db2.gz RLSGWNRUUJDJFA-UMSPYCQHSA-N 1 3 233.315 0.612 20 0 BCADHO CNCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990749 589708079 /nfs/dbraw/zinc/70/80/79/589708079.db2.gz BCLOKWBPHYRGSB-LBPRGKRZSA-N 1 3 227.352 0.429 20 0 BCADHO COCCN(C)C(=[NH2+])NC[C@@H](C)CN(C)C ZINC000871607065 589775515 /nfs/dbraw/zinc/77/55/15/589775515.db2.gz WHDVCXLWHVWJLO-SNVBAGLBSA-N 1 3 230.356 0.287 20 0 BCADHO CC1(C)CCNCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000872290284 589906599 /nfs/dbraw/zinc/90/65/99/589906599.db2.gz LBYBRYLSBHPCRF-LBPRGKRZSA-N 1 3 243.326 0.289 20 0 BCADHO CC[NH2+]CC(=O)N1CCNCCC1(C)C ZINC000872290277 589906861 /nfs/dbraw/zinc/90/68/61/589906861.db2.gz KVQAEWYHWXHUPA-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO O[C@H]1CCN(CCNc2cc[nH+]cc2C2CC2)C1 ZINC000872620313 589956805 /nfs/dbraw/zinc/95/68/05/589956805.db2.gz SAQFNGZAVBUINZ-LBPRGKRZSA-N 1 3 247.342 0.859 20 0 BCADHO O[C@@H]1CCN(CCNc2cc[nH+]cc2C2CC2)C1 ZINC000872619796 589956811 /nfs/dbraw/zinc/95/68/11/589956811.db2.gz SAQFNGZAVBUINZ-GFCCVEGCSA-N 1 3 247.342 0.859 20 0 BCADHO C[NH2+]CCN(C)C(=O)c1cccc2c1CCNC2 ZINC000124299627 589974130 /nfs/dbraw/zinc/97/41/30/589974130.db2.gz YHJRCXCCZFEUKC-UHFFFAOYSA-N 1 3 247.342 0.624 20 0 BCADHO CC(C)[C@H](C[NH3+])CN[C@H]1CNCCC1(F)F ZINC000873211734 589990119 /nfs/dbraw/zinc/99/01/19/589990119.db2.gz DFBUYDLRPXHFTO-ZJUUUORDSA-N 1 3 235.322 0.804 20 0 BCADHO C[C@H](CCC[NH3+])NCc1cnc(N)cn1 ZINC000873211507 589995727 /nfs/dbraw/zinc/99/57/27/589995727.db2.gz AQOKFRBISGANQH-MRVPVSSYSA-N 1 3 209.297 0.276 20 0 BCADHO [NH3+]CC1(CN[C@H]2CNCCC2(F)F)CC1 ZINC000873212497 589996082 /nfs/dbraw/zinc/99/60/82/589996082.db2.gz MLBLVJNUXFGGMF-QMMMGPOBSA-N 1 3 219.279 0.312 20 0 BCADHO CN(CC[NH3+])Cc1cc2c(s1)CCNC2 ZINC000873213498 589997290 /nfs/dbraw/zinc/99/72/90/589997290.db2.gz FVGMEAGGGWZRQM-UHFFFAOYSA-N 1 3 225.361 0.784 20 0 BCADHO FC1(F)CCNC[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000873212727 589997475 /nfs/dbraw/zinc/99/74/75/589997475.db2.gz RCBAXXQDVQFEPQ-HWOCKDDLSA-N 1 3 231.290 0.325 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873239383 590005917 /nfs/dbraw/zinc/00/59/17/590005917.db2.gz VGBWDWAKZWSSBL-NTZHIAQWSA-N 1 3 222.332 0.879 20 0 BCADHO C[C@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000873250929 590008357 /nfs/dbraw/zinc/00/83/57/590008357.db2.gz RUTJDJAPTXAAPI-LPEHRKFASA-N 1 3 208.309 0.808 20 0 BCADHO COC[C@@H](CCC[NH3+])N[C@@H](C)c1ccnn1C ZINC000873274184 590017095 /nfs/dbraw/zinc/01/70/95/590017095.db2.gz BJXNGJDXCCDODV-WDEREUQCSA-N 1 3 240.351 0.825 20 0 BCADHO c1ccc2c(c1)CN[C@H](CN[C@@H]1CC[NH2+]C1)C2 ZINC000873295856 590023942 /nfs/dbraw/zinc/02/39/42/590023942.db2.gz ADYVXQUIOJTDIE-KGLIPLIRSA-N 1 3 231.343 0.652 20 0 BCADHO [NH3+][C@H]1CC[C@@H](C(=O)NCCN2CCCC2)CC1 ZINC000876713559 590232794 /nfs/dbraw/zinc/23/27/94/590232794.db2.gz QSHCAHYINJODBV-TXEJJXNPSA-N 1 3 239.363 0.716 20 0 BCADHO O=C(NCCN1CCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876712537 590232844 /nfs/dbraw/zinc/23/28/44/590232844.db2.gz IQTYBIGAMJMRDU-WDEREUQCSA-N 1 3 243.326 0.146 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876734068 590233949 /nfs/dbraw/zinc/23/39/49/590233949.db2.gz OKJMZYRGKURZQU-HBNTYKKESA-N 1 3 239.363 0.570 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876732605 590234482 /nfs/dbraw/zinc/23/44/82/590234482.db2.gz AWRGAOXEDCFLNT-GMTAPVOTSA-N 1 3 239.363 0.570 20 0 BCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN(C)C ZINC000876849239 590249541 /nfs/dbraw/zinc/24/95/41/590249541.db2.gz XDNUWZGBWWCRPW-WQMVXFAESA-N 1 3 225.336 0.076 20 0 BCADHO CC1(C)CN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCN1 ZINC000876871270 590251754 /nfs/dbraw/zinc/25/17/54/590251754.db2.gz IOVVHCRNQAHJNY-NXEZZACHSA-N 1 3 243.326 0.144 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000876871622 590251990 /nfs/dbraw/zinc/25/19/90/590251990.db2.gz MXWYFEGBHSMPPU-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925081 590257648 /nfs/dbraw/zinc/25/76/48/590257648.db2.gz SXRVUEYNECVTAT-JQWIXIFHSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@@H](C(=O)NCCCCCC[NH3+])N(C)C ZINC000876938697 590258888 /nfs/dbraw/zinc/25/88/88/590258888.db2.gz NSAATXCCSSZNHC-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CCN[C@H](C)C(=O)NCCCCCC[NH3+] ZINC000876937840 590259145 /nfs/dbraw/zinc/25/91/45/590259145.db2.gz FRQKRNFKXIJWRY-SNVBAGLBSA-N 1 3 215.341 0.620 20 0 BCADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH3+])N(CC)CC ZINC000877102165 590283128 /nfs/dbraw/zinc/28/31/28/590283128.db2.gz ASFKNQIASHCBKW-GHMZBOCLSA-N 1 3 229.368 0.912 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CNCCC1(F)F ZINC000877102213 590283162 /nfs/dbraw/zinc/28/31/62/590283162.db2.gz BYNHNBNECDSNFL-HTQZYQBOSA-N 1 3 235.278 0.037 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@H](N)c1ccccc1 ZINC000877103662 590284018 /nfs/dbraw/zinc/28/40/18/590284018.db2.gz XOHFNIPNLFSRSW-PWSUYJOCSA-N 1 3 235.331 0.882 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)C[C@H](N)c1ccccc1 ZINC000877103661 590284301 /nfs/dbraw/zinc/28/43/01/590284301.db2.gz XOHFNIPNLFSRSW-JQWIXIFHSA-N 1 3 235.331 0.882 20 0 BCADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH3+])N(C)C ZINC000877104353 590284325 /nfs/dbraw/zinc/28/43/25/590284325.db2.gz ANAXTRLUOFWACT-IUCAKERBSA-N 1 3 201.314 0.132 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877134858 590291270 /nfs/dbraw/zinc/29/12/70/590291270.db2.gz ZSBWIVXDMDONKY-PPKCKEKNSA-N 1 3 219.288 0.787 20 0 BCADHO CCNCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158572 590294121 /nfs/dbraw/zinc/29/41/21/590294121.db2.gz UQDIZZURHBKXTQ-SNVBAGLBSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169849 590295746 /nfs/dbraw/zinc/29/57/46/590295746.db2.gz HNVOONUGPVRURJ-IEBDPFPHSA-N 1 3 223.320 0.090 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188195 590298953 /nfs/dbraw/zinc/29/89/53/590298953.db2.gz SRZPZTOYMBLMAQ-URAGZPLESA-N 1 3 239.363 0.842 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188194 590299205 /nfs/dbraw/zinc/29/92/05/590299205.db2.gz SRZPZTOYMBLMAQ-JJOYANBFSA-N 1 3 239.363 0.842 20 0 BCADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](C)N)CC1 ZINC000877199895 590300757 /nfs/dbraw/zinc/30/07/57/590300757.db2.gz AHRZXUJYOMPBRP-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CCNCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877248938 590301703 /nfs/dbraw/zinc/30/17/03/590301703.db2.gz GJJSLFAKVADMHI-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CCNCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877248938 590301705 /nfs/dbraw/zinc/30/17/05/590301705.db2.gz GJJSLFAKVADMHI-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243136 590302548 /nfs/dbraw/zinc/30/25/48/590302548.db2.gz GLQASTHHQLWAQM-BJDJZHNGSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N(CC)CC ZINC000877243767 590303089 /nfs/dbraw/zinc/30/30/89/590303089.db2.gz UDHCQBULIIDIAD-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CCN[C@@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246101 590303709 /nfs/dbraw/zinc/30/37/09/590303709.db2.gz OOPNAIVEPDLYHN-YFKTTZPYSA-N 1 3 239.363 0.631 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877253042 590304099 /nfs/dbraw/zinc/30/40/99/590304099.db2.gz HVXZFNMMNWXVNP-FOGDFJRCSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)C1CC[NH2+]CC1 ZINC000877255147 590304308 /nfs/dbraw/zinc/30/43/08/590304308.db2.gz QGEODVCBTKVDDL-GXSJLCMTSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877274641 590305454 /nfs/dbraw/zinc/30/54/54/590305454.db2.gz MCTFRNPCSXBXLP-GHMZBOCLSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877282724 590306793 /nfs/dbraw/zinc/30/67/93/590306793.db2.gz MUDSKUFPTQAULA-MVWJERBFSA-N 1 3 237.347 0.480 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285353 590307453 /nfs/dbraw/zinc/30/74/53/590307453.db2.gz ZXCGXNPMDVYVDG-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375431 590319881 /nfs/dbraw/zinc/31/98/81/590319881.db2.gz XJHZPSNMZATWOB-WCQYABFASA-N 1 3 239.363 0.395 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373809 590320191 /nfs/dbraw/zinc/32/01/91/590320191.db2.gz KHMJJZLUPXCBDR-OPQQBVKSSA-N 1 3 237.347 0.052 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386465 590321720 /nfs/dbraw/zinc/32/17/20/590321720.db2.gz RMTAIWNLHPLJML-YPMHNXCESA-N 1 3 248.330 0.661 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)[C@@]1(F)CCNC1 ZINC000877444730 590328710 /nfs/dbraw/zinc/32/87/10/590328710.db2.gz PFNVOPHXFIDWHJ-GFCCVEGCSA-N 1 3 245.342 0.666 20 0 BCADHO CC[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877443942 590329190 /nfs/dbraw/zinc/32/91/90/590329190.db2.gz IFFBHQRYKXBODI-JTQLQIEISA-N 1 3 215.341 0.701 20 0 BCADHO CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879573765 590809177 /nfs/dbraw/zinc/80/91/77/590809177.db2.gz RCUJKGZVFOUZPS-IJLUTSLNSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879573765 590809179 /nfs/dbraw/zinc/80/91/79/590809179.db2.gz RCUJKGZVFOUZPS-IJLUTSLNSA-N 1 3 212.337 0.783 20 0 BCADHO CN1CC[C@@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000879572451 590809221 /nfs/dbraw/zinc/80/92/21/590809221.db2.gz HJGCDEAIUVZSMP-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CC[C@@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000879572451 590809224 /nfs/dbraw/zinc/80/92/24/590809224.db2.gz HJGCDEAIUVZSMP-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879582026 590821684 /nfs/dbraw/zinc/82/16/84/590821684.db2.gz PJGBNSUXYPKZJP-SRVKXCTJSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879582026 590821686 /nfs/dbraw/zinc/82/16/86/590821686.db2.gz PJGBNSUXYPKZJP-SRVKXCTJSA-N 1 3 228.336 0.020 20 0 BCADHO C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879582067 590822825 /nfs/dbraw/zinc/82/28/25/590822825.db2.gz PNKYQWORZQXYJO-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879582067 590822827 /nfs/dbraw/zinc/82/28/27/590822827.db2.gz PNKYQWORZQXYJO-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO CN(C)C(=O)CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880132931 590933650 /nfs/dbraw/zinc/93/36/50/590933650.db2.gz RDMGQQYBVDBKOD-NWDGAFQWSA-N 1 3 239.363 0.633 20 0 BCADHO CN(C)C(=O)CCN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880132931 590933654 /nfs/dbraw/zinc/93/36/54/590933654.db2.gz RDMGQQYBVDBKOD-NWDGAFQWSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000129768146 591401524 /nfs/dbraw/zinc/40/15/24/591401524.db2.gz WFPJUVHCMJNPHN-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000883423464 591658949 /nfs/dbraw/zinc/65/89/49/591658949.db2.gz LPNHKULBKCHBRL-GVXVVHGQSA-N 1 3 241.354 0.855 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883430076 591661478 /nfs/dbraw/zinc/66/14/78/591661478.db2.gz MQNXUJJOCGMWQV-WTPMCQDGSA-N 1 3 229.343 0.663 20 0 BCADHO CC(=O)N1C[C@H]2CN(C[C@@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000883448534 591670930 /nfs/dbraw/zinc/67/09/30/591670930.db2.gz IECNZSFDFFJGIS-UPJWGTAASA-N 1 3 237.347 0.006 20 0 BCADHO C[NH2+]C[C@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000883450282 591671128 /nfs/dbraw/zinc/67/11/28/591671128.db2.gz IBCBIUTVRZZHKL-NEPJUHHUSA-N 1 3 227.352 0.049 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873443 591744866 /nfs/dbraw/zinc/74/48/66/591744866.db2.gz HFNDKUBMEPMVOU-IJLUTSLNSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873443 591744868 /nfs/dbraw/zinc/74/48/68/591744868.db2.gz HFNDKUBMEPMVOU-IJLUTSLNSA-N 1 3 239.363 0.713 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884017640 591800443 /nfs/dbraw/zinc/80/04/43/591800443.db2.gz BJXSRQAASDNGMW-MNOVXSKESA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000884019410 591801833 /nfs/dbraw/zinc/80/18/33/591801833.db2.gz SLEWWYWVIGUMLP-WCQGTBRESA-N 1 3 239.363 0.618 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000884024924 591805844 /nfs/dbraw/zinc/80/58/44/591805844.db2.gz HSLQCKLQYVGLGH-JOYOIKCWSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@@H](C)N1 ZINC000884030664 591814158 /nfs/dbraw/zinc/81/41/58/591814158.db2.gz VBLHRQNMGDFBPT-KKZNHRDASA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884035203 591817790 /nfs/dbraw/zinc/81/77/90/591817790.db2.gz UPXYPAZWWJSJGN-DGCLKSJQSA-N 1 3 241.379 0.994 20 0 BCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCNCC1(C)C ZINC000884037593 591818844 /nfs/dbraw/zinc/81/88/44/591818844.db2.gz GCLWMYFQCYOVBT-SNVBAGLBSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCNCC1(C)C ZINC000884037903 591820038 /nfs/dbraw/zinc/82/00/38/591820038.db2.gz QHQWJUYAMHXEEQ-NSHDSACASA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000884041511 591823344 /nfs/dbraw/zinc/82/33/44/591823344.db2.gz ADHRGRKXHUZBSI-NEPJUHHUSA-N 1 3 241.379 0.946 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884238362 591878436 /nfs/dbraw/zinc/87/84/36/591878436.db2.gz ZYJCJXHLFYQPNM-NEPJUHHUSA-N 1 3 237.347 0.467 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267377 591887826 /nfs/dbraw/zinc/88/78/26/591887826.db2.gz DTLAVHMVPGJWJK-GMTAPVOTSA-N 1 3 225.336 0.500 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000884272632 591889247 /nfs/dbraw/zinc/88/92/47/591889247.db2.gz ZPVIZVCUBVYEOD-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000884284217 591893583 /nfs/dbraw/zinc/89/35/83/591893583.db2.gz GKYFRXQEMSWCBG-JTQLQIEISA-N 1 3 215.341 0.298 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884287022 591894987 /nfs/dbraw/zinc/89/49/87/591894987.db2.gz QVXZRIPMQOXKGT-QWRGUYRKSA-N 1 3 243.351 0.080 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000884292081 591895819 /nfs/dbraw/zinc/89/58/19/591895819.db2.gz PXZKDNQEJDCION-WDEREUQCSA-N 1 3 237.347 0.372 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000884292079 591895892 /nfs/dbraw/zinc/89/58/92/591895892.db2.gz PXZKDNQEJDCION-MNOVXSKESA-N 1 3 237.347 0.372 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884304432 591899018 /nfs/dbraw/zinc/89/90/18/591899018.db2.gz OPXWJKWQEUOTDE-UWVGGRQHSA-N 1 3 225.336 0.371 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884304433 591899189 /nfs/dbraw/zinc/89/91/89/591899189.db2.gz OPXWJKWQEUOTDE-VHSXEESVSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000884302401 591899268 /nfs/dbraw/zinc/89/92/68/591899268.db2.gz PYLHCTYIHUNFGE-OUAUKWLOSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C[C@@H]1C[NH3+] ZINC000884341332 591906611 /nfs/dbraw/zinc/90/66/11/591906611.db2.gz WSAFQPHEDXRSFV-ADEWGFFLSA-N 1 3 239.363 0.557 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](N)CC1CC1 ZINC000884339753 591907009 /nfs/dbraw/zinc/90/70/09/591907009.db2.gz WILWTONDRLCDNH-UJNFCWOMSA-N 1 3 211.309 0.062 20 0 BCADHO CC1(C)[C@H](NC(=O)[C@@H]2CCCCN2)C[C@@H]1[NH3+] ZINC000884348086 591909624 /nfs/dbraw/zinc/90/96/24/591909624.db2.gz NSOGEQMIICIYBJ-LPEHRKFASA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884348292 591909656 /nfs/dbraw/zinc/90/96/56/591909656.db2.gz TZHFHYYCHKUXES-XHNCKOQMSA-N 1 3 227.352 0.602 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348409 591909855 /nfs/dbraw/zinc/90/98/55/591909855.db2.gz YJEXOFHKGFWFQM-LNLATYFQSA-N 1 3 227.352 0.746 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884348408 591910109 /nfs/dbraw/zinc/91/01/09/591910109.db2.gz YJEXOFHKGFWFQM-AUTRQRHGSA-N 1 3 227.352 0.746 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358336 591911858 /nfs/dbraw/zinc/91/18/58/591911858.db2.gz OZDOGFVPWOYYEJ-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884357612 591912534 /nfs/dbraw/zinc/91/25/34/591912534.db2.gz BCGVJELAMFPLLY-XKNYDFJKSA-N 1 3 227.352 0.602 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363500 591916778 /nfs/dbraw/zinc/91/67/78/591916778.db2.gz DGGJQGUDYZBUGD-VHSXEESVSA-N 1 3 236.319 0.503 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884365374 591917629 /nfs/dbraw/zinc/91/76/29/591917629.db2.gz IGYHZYKUEQTOBC-OPRDCNLKSA-N 1 3 225.336 0.356 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884372577 591918557 /nfs/dbraw/zinc/91/85/57/591918557.db2.gz PLRRPZHNTOPXSM-QXFUBDJGSA-N 1 3 213.325 0.356 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000884375808 591919393 /nfs/dbraw/zinc/91/93/93/591919393.db2.gz MMOZBIGAJDSYHQ-NSHDSACASA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCCCCCC[NH3+] ZINC000884375741 591920027 /nfs/dbraw/zinc/92/00/27/591920027.db2.gz KGFMMVNVCBUPLV-NSHDSACASA-N 1 3 227.352 0.749 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449949 591938734 /nfs/dbraw/zinc/93/87/34/591938734.db2.gz SNGWQEYVYABOGB-VXGBXAGGSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@H]1C[C@]12CCOC2 ZINC000886841377 592362144 /nfs/dbraw/zinc/36/21/44/592362144.db2.gz JLPSCWLKLLQGJK-WYUUTHIRSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+]CC12CC(C1)CN2C[C@H]1C[C@]12CCOC2 ZINC000886841537 592362810 /nfs/dbraw/zinc/36/28/10/592362810.db2.gz OBWFBKCDSINXHG-QBHFIFKDSA-N 1 3 222.332 0.836 20 0 BCADHO c1nnn2c1CN(CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000886857880 592369153 /nfs/dbraw/zinc/36/91/53/592369153.db2.gz DPWSLIUQHHMKIA-GFCCVEGCSA-N 1 3 249.362 0.874 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859969 592371551 /nfs/dbraw/zinc/37/15/51/592371551.db2.gz MDDJTPFFENTYKB-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859969 592371556 /nfs/dbraw/zinc/37/15/56/592371556.db2.gz MDDJTPFFENTYKB-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886859969 592371561 /nfs/dbraw/zinc/37/15/61/592371561.db2.gz MDDJTPFFENTYKB-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCCO ZINC000887131081 592449592 /nfs/dbraw/zinc/44/95/92/592449592.db2.gz QQEJNOZRRQJHBX-LBPRGKRZSA-N 1 3 235.331 0.975 20 0 BCADHO C[C@@H]1OCC[C@@]1(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000300423877 592512717 /nfs/dbraw/zinc/51/27/17/592512717.db2.gz XEMWWDNGBPQNLP-RWMBFGLXSA-N 1 3 242.363 0.600 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000302716086 592553383 /nfs/dbraw/zinc/55/33/83/592553383.db2.gz ZIHBCIXEAHSLAX-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000302716086 592553382 /nfs/dbraw/zinc/55/33/82/592553382.db2.gz ZIHBCIXEAHSLAX-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335642038 634504821 /nfs/dbraw/zinc/50/48/21/634504821.db2.gz XZJQBSGBCPBACG-GXSJLCMTSA-N 1 3 211.309 0.078 20 0 BCADHO COC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)OC ZINC000219297559 635275349 /nfs/dbraw/zinc/27/53/49/635275349.db2.gz GVPGTVUYJRBCTL-PSEXLTFBSA-N 1 3 242.363 0.863 20 0 BCADHO COC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OC ZINC000219297559 635275353 /nfs/dbraw/zinc/27/53/53/635275353.db2.gz GVPGTVUYJRBCTL-PSEXLTFBSA-N 1 3 242.363 0.863 20 0 BCADHO CCC[C@@H](O)CCN[C@H](C)C1C[NH2+]C1 ZINC000925857587 635549097 /nfs/dbraw/zinc/54/90/97/635549097.db2.gz MOEIVUVNLVJHGF-MWLCHTKSSA-N 1 3 200.326 0.735 20 0 BCADHO C(COC1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC000925878746 635605882 /nfs/dbraw/zinc/60/58/82/635605882.db2.gz ZAOCLLWNCHJJKP-LBPRGKRZSA-N 1 3 242.363 0.914 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC)C1)N(C)C ZINC000971777817 631453417 /nfs/dbraw/zinc/45/34/17/631453417.db2.gz HTKLNAIDIIXUAZ-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC)C1)N(C)C ZINC000971777817 631453423 /nfs/dbraw/zinc/45/34/23/631453423.db2.gz HTKLNAIDIIXUAZ-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO CCN(CCC(=O)NC)CC[C@H]1CCC[N@@H+]1C ZINC000933863720 631535682 /nfs/dbraw/zinc/53/56/82/631535682.db2.gz HCTDVQTVAIXSJO-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CCC(=O)NC)CC[C@H]1CCC[N@H+]1C ZINC000933863720 631535686 /nfs/dbraw/zinc/53/56/86/631535686.db2.gz HCTDVQTVAIXSJO-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CCC(=O)NC)CC[C@@H]1CCC[N@@H+]1C ZINC000933863722 631537292 /nfs/dbraw/zinc/53/72/92/631537292.db2.gz HCTDVQTVAIXSJO-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CCC(=O)NC)CC[C@@H]1CCC[N@H+]1C ZINC000933863722 631537293 /nfs/dbraw/zinc/53/72/93/631537293.db2.gz HCTDVQTVAIXSJO-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCNC(=O)CN(C)CCCCCC[NH3+] ZINC000308946639 631743208 /nfs/dbraw/zinc/74/32/08/631743208.db2.gz WILFBYWXKUJTSZ-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO COC[C@H](C)NC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004789 631904178 /nfs/dbraw/zinc/90/41/78/631904178.db2.gz ZUGSSHGJPPXZJF-QWRGUYRKSA-N 1 3 242.367 0.477 20 0 BCADHO C[NH+](C)CCOCCNCc1cn[nH]c1 ZINC000308864758 631989757 /nfs/dbraw/zinc/98/97/57/631989757.db2.gz AAFWLZZVPFVRME-UHFFFAOYSA-N 1 3 212.297 0.078 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130139741 632439459 /nfs/dbraw/zinc/43/94/59/632439459.db2.gz MNCNNPRXMOZKPN-GRYCIOLGSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130139741 632439463 /nfs/dbraw/zinc/43/94/63/632439463.db2.gz MNCNNPRXMOZKPN-GRYCIOLGSA-N 1 3 241.379 0.959 20 0 BCADHO NCC(C[NH3+])NCc1ccnc(Cl)c1 ZINC000309536482 632478927 /nfs/dbraw/zinc/47/89/27/632478927.db2.gz FJZJDCJQSKCEIW-UHFFFAOYSA-N 1 3 214.700 0.111 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](N)CCOC ZINC000052810345 632498475 /nfs/dbraw/zinc/49/84/75/632498475.db2.gz SPIMLRHMGHQIPD-WDEREUQCSA-N 1 3 245.367 0.197 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC1CC1)[N@H+](C)C1CC1 ZINC000310190352 632706697 /nfs/dbraw/zinc/70/66/97/632706697.db2.gz XSKJDSJIUARBSK-CABZTGNLSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC1CC1)[N@@H+](C)C1CC1 ZINC000310190352 632706699 /nfs/dbraw/zinc/70/66/99/632706699.db2.gz XSKJDSJIUARBSK-CABZTGNLSA-N 1 3 239.363 0.713 20 0 BCADHO COCCNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000066245311 632861959 /nfs/dbraw/zinc/86/19/59/632861959.db2.gz RJLGCQMYIITDHA-SNVBAGLBSA-N 1 3 228.340 0.021 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(O)CCC1 ZINC000925022469 635855579 /nfs/dbraw/zinc/85/55/79/635855579.db2.gz IIDWJRPPYLVAKF-FOSCPWQOSA-N 1 3 224.348 0.831 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)CN1 ZINC000892549486 632958247 /nfs/dbraw/zinc/95/82/47/632958247.db2.gz UFIQUWKVKVZHSI-DBIOUOCHSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892549531 632960124 /nfs/dbraw/zinc/96/01/24/632960124.db2.gz VOBARFZEAFFASN-ZRUFSTJUSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1NCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000892549529 632960753 /nfs/dbraw/zinc/96/07/53/632960753.db2.gz VOBARFZEAFFASN-XWLWVQCSSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C ZINC000928440025 635937360 /nfs/dbraw/zinc/93/73/60/635937360.db2.gz ZAHAJDMUYVZXPK-GMTAPVOTSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C ZINC000928440025 635937363 /nfs/dbraw/zinc/93/73/63/635937363.db2.gz ZAHAJDMUYVZXPK-GMTAPVOTSA-N 1 3 225.336 0.147 20 0 BCADHO CO[C@H](CNCC[C@@H](C)[NH+](C)C)[C@@H]1CCOC1 ZINC000895291280 636132128 /nfs/dbraw/zinc/13/21/28/636132128.db2.gz AZIJNHLHHDRBFN-JHJVBQTASA-N 1 3 244.379 0.968 20 0 BCADHO COC[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000309983013 634025559 /nfs/dbraw/zinc/02/55/59/634025559.db2.gz NLWVWGXHLGZBCF-STQMWFEESA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@H](CO)N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925661326 634227057 /nfs/dbraw/zinc/22/70/57/634227057.db2.gz DCZOGMDAEHXGDU-VWYCJHECSA-N 1 3 230.352 0.489 20 0 BCADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCNC23CCC3)C1 ZINC000925684667 634294759 /nfs/dbraw/zinc/29/47/59/634294759.db2.gz IRMIMJZFMLXORM-VWYCJHECSA-N 1 3 237.347 0.515 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[C@H]1O ZINC000925692958 634328798 /nfs/dbraw/zinc/32/87/98/634328798.db2.gz PQAGLFVTFNDLQW-WRWGMCAJSA-N 1 3 212.337 0.878 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031925 635153753 /nfs/dbraw/zinc/15/37/53/635153753.db2.gz UMLLOOKTGMSGHU-ZDUSSCGKSA-N 1 3 239.363 0.683 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NCc1cc(N)ccn1 ZINC000925767905 635185135 /nfs/dbraw/zinc/18/51/35/635185135.db2.gz RHOBQHHTWYWKHS-BXKDBHETSA-N 1 3 220.320 0.894 20 0 BCADHO C[C@H](NCc1cc(N)ccn1)C1C[NH2+]C1 ZINC000925769160 635192825 /nfs/dbraw/zinc/19/28/25/635192825.db2.gz YRSDMRYEQDBGKM-QMMMGPOBSA-N 1 3 206.293 0.361 20 0 BCADHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@@H]1CCOC1 ZINC000925782356 635278750 /nfs/dbraw/zinc/27/87/50/635278750.db2.gz JNOLGCZTRIICAX-WISYIIOYSA-N 1 3 212.337 0.999 20 0 BCADHO CC(C)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866706451 636931432 /nfs/dbraw/zinc/93/14/32/636931432.db2.gz BSHYSZAXROSKDY-MXWKQRLJSA-N 1 3 239.319 0.262 20 0 BCADHO C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCCOCC1 ZINC000903722928 637379845 /nfs/dbraw/zinc/37/98/45/637379845.db2.gz QQFFHVIADWKXFK-STQMWFEESA-N 1 3 240.347 0.477 20 0 BCADHO CCO[C@@H](CNC[C@@H](O)CC)C[NH+](C)C ZINC000905581072 637853376 /nfs/dbraw/zinc/85/33/76/637853376.db2.gz SHUJHMZDLCOTQS-QWRGUYRKSA-N 1 3 218.341 0.314 20 0 BCADHO CCO[C@H](CNC[C@H](O)C1CC1)C[NH+](C)C ZINC000905580745 637853530 /nfs/dbraw/zinc/85/35/30/637853530.db2.gz PHNIBFMCJFRGEI-NEPJUHHUSA-N 1 3 230.352 0.314 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000906091523 638050061 /nfs/dbraw/zinc/05/00/61/638050061.db2.gz IMEJNBYVFHPDPJ-HBNTYKKESA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000906092268 638051273 /nfs/dbraw/zinc/05/12/73/638051273.db2.gz XPHQHITVLCMUMU-SDDRHHMPSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC000908412759 638699272 /nfs/dbraw/zinc/69/92/72/638699272.db2.gz GPOACHBOPLUQFI-MWLCHTKSSA-N 1 3 236.319 0.503 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652385 639709902 /nfs/dbraw/zinc/70/99/02/639709902.db2.gz PWRSKOURODOWBG-OPRDCNLKSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NCCC[NH2+]C ZINC000911677810 639719316 /nfs/dbraw/zinc/71/93/16/639719316.db2.gz SVWVXEJVIMRNEO-ZJUUUORDSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[NH2+]C ZINC000911749172 639776125 /nfs/dbraw/zinc/77/61/25/639776125.db2.gz XLTCHRVCIIGXCA-DTWKUNHWSA-N 1 3 201.314 0.086 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911788875 639805405 /nfs/dbraw/zinc/80/54/05/639805405.db2.gz SHAZPHISFRVDFX-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C(C)(C)C)C[C@@H](C)N1 ZINC000911796278 639819024 /nfs/dbraw/zinc/81/90/24/639819024.db2.gz NGMCXLSPOJGLCT-MXWKQRLJSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H]1CN(C(=O)c2ccccc2C[NH3+])C[C@H](C)N1 ZINC000911795722 639819624 /nfs/dbraw/zinc/81/96/24/639819624.db2.gz KUISYYGHJAFFJN-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911813123 639834652 /nfs/dbraw/zinc/83/46/52/639834652.db2.gz MDOHHBZWUARFKS-NXEZZACHSA-N 1 3 247.408 0.556 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869526 639852684 /nfs/dbraw/zinc/85/26/84/639852684.db2.gz WMIHKBSJNMQOAL-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CNC(=O)CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931307868 640144293 /nfs/dbraw/zinc/14/42/93/640144293.db2.gz MNZJTGKDRSVZKO-BETUJISGSA-N 1 3 239.363 0.396 20 0 BCADHO CNC(=O)CCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931307868 640144297 /nfs/dbraw/zinc/14/42/97/640144297.db2.gz MNZJTGKDRSVZKO-BETUJISGSA-N 1 3 239.363 0.396 20 0 BCADHO COCC(COC)[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000931548313 640268148 /nfs/dbraw/zinc/26/81/48/640268148.db2.gz IEESKNSQAJRMGQ-WCQYABFASA-N 1 3 242.363 0.674 20 0 BCADHO COCC(COC)[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000931548313 640268150 /nfs/dbraw/zinc/26/81/50/640268150.db2.gz IEESKNSQAJRMGQ-WCQYABFASA-N 1 3 242.363 0.674 20 0 BCADHO CCN(CCC(N)=O)CC[C@H]1CCC[N@@H+]1C ZINC000932478696 640546101 /nfs/dbraw/zinc/54/61/01/640546101.db2.gz KIOYEKTZYXVIOM-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CCN(CCC(N)=O)CC[C@H]1CCC[N@H+]1C ZINC000932478696 640546102 /nfs/dbraw/zinc/54/61/02/640546102.db2.gz KIOYEKTZYXVIOM-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@@H]1CN(C[C@@H](O)COC)CC[C@@H]1[NH3+] ZINC000226035503 640725986 /nfs/dbraw/zinc/72/59/86/640725986.db2.gz BXYXYMQGJFHTTF-MXWKQRLJSA-N 1 3 216.325 0.053 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C[C@@H](O)C(F)(F)F)C1 ZINC000226328944 640748108 /nfs/dbraw/zinc/74/81/08/640748108.db2.gz XWESNKIIEFVGEG-RKDXNWHRSA-N 1 3 240.269 0.970 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CCNC2=O)CC[N@@H+]1C ZINC000158110367 640806196 /nfs/dbraw/zinc/80/61/96/640806196.db2.gz GQXVTZVLTGISIL-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CCNC2=O)CC[N@H+]1C ZINC000158110367 640806200 /nfs/dbraw/zinc/80/62/00/640806200.db2.gz GQXVTZVLTGISIL-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@H](C)NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000227765845 640847991 /nfs/dbraw/zinc/84/79/91/640847991.db2.gz SMCCBDBBJSPTQV-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC000913760941 641468181 /nfs/dbraw/zinc/46/81/81/641468181.db2.gz UJWGLDYEHQOEMF-PWSUYJOCSA-N 1 3 248.330 0.505 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC000913760941 641468186 /nfs/dbraw/zinc/46/81/86/641468186.db2.gz UJWGLDYEHQOEMF-PWSUYJOCSA-N 1 3 248.330 0.505 20 0 BCADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833659 641614396 /nfs/dbraw/zinc/61/43/96/641614396.db2.gz BHBUPWOXQVLCFX-MNOVXSKESA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833659 641614402 /nfs/dbraw/zinc/61/44/02/641614402.db2.gz BHBUPWOXQVLCFX-MNOVXSKESA-N 1 3 237.347 0.420 20 0 BCADHO COC[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000227166149 641728770 /nfs/dbraw/zinc/72/87/70/641728770.db2.gz ITYHMKRSPRLNGQ-OUAUKWLOSA-N 1 3 216.325 0.053 20 0 BCADHO CN(CC1CC[NH+](C)CC1)[C@H]1CCN(C)C1=O ZINC000154707064 642189944 /nfs/dbraw/zinc/18/99/44/642189944.db2.gz OSFZNDBURHZDIC-LBPRGKRZSA-N 1 3 239.363 0.491 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681016 642571068 /nfs/dbraw/zinc/57/10/68/642571068.db2.gz BVBSJTYEVHNBDP-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681016 642571072 /nfs/dbraw/zinc/57/10/72/642571072.db2.gz BVBSJTYEVHNBDP-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO CCC[N@H+](C[C@@H](O)COC)C1CCNCC1 ZINC000068892317 642807067 /nfs/dbraw/zinc/80/70/67/642807067.db2.gz QGDIXQJASDTVTE-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CCC[N@@H+](C[C@@H](O)COC)C1CCNCC1 ZINC000068892317 642807071 /nfs/dbraw/zinc/80/70/71/642807071.db2.gz QGDIXQJASDTVTE-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)N(C)C ZINC000969074901 642823742 /nfs/dbraw/zinc/82/37/42/642823742.db2.gz ZDTZLPSZFGUMAL-GHMZBOCLSA-N 1 3 245.342 0.487 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976968 643147250 /nfs/dbraw/zinc/14/72/50/643147250.db2.gz UQGNMWQSFJVUDE-CMPLNLGQSA-N 1 3 239.363 0.252 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976968 643147258 /nfs/dbraw/zinc/14/72/58/643147258.db2.gz UQGNMWQSFJVUDE-CMPLNLGQSA-N 1 3 239.363 0.252 20 0 BCADHO CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970104911 643297627 /nfs/dbraw/zinc/29/76/27/643297627.db2.gz HYHRWFFYYGJCLD-SNVBAGLBSA-N 1 3 236.319 0.551 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000082679991 643365226 /nfs/dbraw/zinc/36/52/26/643365226.db2.gz OLSKMGRLEASOHR-APPZFPTMSA-N 1 3 240.269 0.969 20 0 BCADHO [NH3+]CC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000082681373 643367691 /nfs/dbraw/zinc/36/76/91/643367691.db2.gz GKXNLDMGYJVVRS-QMMMGPOBSA-N 1 3 226.242 0.580 20 0 BCADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970718466 643511748 /nfs/dbraw/zinc/51/17/48/643511748.db2.gz VPLGEEIXPZZBGV-LLVKDONJSA-N 1 3 243.326 0.242 20 0 BCADHO CCCNC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000084221170 643649761 /nfs/dbraw/zinc/64/97/61/643649761.db2.gz XMPGSXFHLKWICO-MNOVXSKESA-N 1 3 227.352 0.620 20 0 BCADHO CCCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000084221170 643649768 /nfs/dbraw/zinc/64/97/68/643649768.db2.gz XMPGSXFHLKWICO-MNOVXSKESA-N 1 3 227.352 0.620 20 0 BCADHO CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998554584 643712223 /nfs/dbraw/zinc/71/22/23/643712223.db2.gz YYPNLTMOFCEKAS-MCIGGMRASA-N 1 3 239.363 0.680 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000086068429 643898460 /nfs/dbraw/zinc/89/84/60/643898460.db2.gz VRFJANZHTJHVPI-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CCO[C@H](C[NH2+][C@@H]1CN(C)C[C@@H]1C)CN(C)C ZINC000922757768 644088225 /nfs/dbraw/zinc/08/82/25/644088225.db2.gz LSVRYJJIQSCPBN-YNEHKIRRSA-N 1 3 243.395 0.493 20 0 BCADHO CC(C)OCC[C@@H](O)CN(C)CCC[NH3+] ZINC000923290662 644326756 /nfs/dbraw/zinc/32/67/56/644326756.db2.gz IRZDOLJWHPGEJF-LLVKDONJSA-N 1 3 218.341 0.443 20 0 BCADHO COC[C@H]1COCCN1CC1CC[NH2+]CC1 ZINC000923274276 644306560 /nfs/dbraw/zinc/30/65/60/644306560.db2.gz SBCWDUPJSPOAOF-LBPRGKRZSA-N 1 3 228.336 0.333 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000923279588 644311091 /nfs/dbraw/zinc/31/10/91/644311091.db2.gz QSPNWBTUZZMUJB-FRRDWIJNSA-N 1 3 244.379 0.976 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000923279588 644311095 /nfs/dbraw/zinc/31/10/95/644311095.db2.gz QSPNWBTUZZMUJB-FRRDWIJNSA-N 1 3 244.379 0.976 20 0 BCADHO CC(C)OCC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923279480 644312002 /nfs/dbraw/zinc/31/20/02/644312002.db2.gz CCMCKCIGQQROPY-STQMWFEESA-N 1 3 244.379 0.833 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923282530 644318749 /nfs/dbraw/zinc/31/87/49/644318749.db2.gz VKBZOBVLSCVCOL-MNOVXSKESA-N 1 3 216.325 0.055 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923290208 644322614 /nfs/dbraw/zinc/32/26/14/644322614.db2.gz VVUZPEXRICCANU-FRRDWIJNSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923290209 644323341 /nfs/dbraw/zinc/32/33/41/644323341.db2.gz VVUZPEXRICCANU-RWMBFGLXSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCO[C@H]1CCOC1 ZINC000923295991 644332015 /nfs/dbraw/zinc/33/20/15/644332015.db2.gz MJYSKZHKFJLRON-RYUDHWBXSA-N 1 3 230.352 0.755 20 0 BCADHO CCO[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306893 644337681 /nfs/dbraw/zinc/33/76/81/644337681.db2.gz VSJXDFCYTBQJQW-USZNOCQGSA-N 1 3 228.336 0.338 20 0 BCADHO CC1(C)CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCCO1 ZINC000923315130 644343549 /nfs/dbraw/zinc/34/35/49/644343549.db2.gz FXGRAWSMCJNGMF-DCAQKATOSA-N 1 3 228.336 0.338 20 0 BCADHO CCN1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923317515 644345118 /nfs/dbraw/zinc/34/51/18/644345118.db2.gz DKUXCCCWCHZRMQ-GFCCVEGCSA-N 1 3 239.363 0.002 20 0 BCADHO NCC(C[NH3+])NCc1cc(O)ccc1Cl ZINC000923358715 644367336 /nfs/dbraw/zinc/36/73/36/644367336.db2.gz FSHGZYBTESAVPU-UHFFFAOYSA-N 1 3 229.711 0.421 20 0 BCADHO CC(C)(C)c1cc(CNC(CN)C[NH3+])no1 ZINC000923359107 644368840 /nfs/dbraw/zinc/36/88/40/644368840.db2.gz LWSVMFCXFIAORR-UHFFFAOYSA-N 1 3 226.324 0.348 20 0 BCADHO COc1c(C)cnc(CNC(CN)C[NH3+])c1C ZINC000923353838 644370150 /nfs/dbraw/zinc/37/01/50/644370150.db2.gz CFJTYSWTYZWESC-UHFFFAOYSA-N 1 3 238.335 0.083 20 0 BCADHO Cc1cccc(C)c1OCCNC(CN)C[NH3+] ZINC000923354876 644371348 /nfs/dbraw/zinc/37/13/48/644371348.db2.gz YDVLRFQNKQOQFJ-UHFFFAOYSA-N 1 3 237.347 0.558 20 0 BCADHO NCC(CN)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000923356539 644372921 /nfs/dbraw/zinc/37/29/21/644372921.db2.gz MWLIFZMOBVFQGQ-KGLIPLIRSA-N 1 3 249.358 0.782 20 0 BCADHO CCCc1nc(CNC(CN)C[NH3+])cs1 ZINC000923354977 644373051 /nfs/dbraw/zinc/37/30/51/644373051.db2.gz ZZMQEWNIDQUZQZ-UHFFFAOYSA-N 1 3 228.365 0.471 20 0 BCADHO Cc1ccccc1OCCNC(CN)C[NH3+] ZINC000923354894 644373058 /nfs/dbraw/zinc/37/30/58/644373058.db2.gz ZMLNCVXTDSEQTD-UHFFFAOYSA-N 1 3 223.320 0.249 20 0 BCADHO NCC(CN)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000923357237 644375255 /nfs/dbraw/zinc/37/52/55/644375255.db2.gz VBXFTHJCRGYMTD-LLVKDONJSA-N 1 3 227.352 0.354 20 0 BCADHO CCOCC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923370440 644380681 /nfs/dbraw/zinc/38/06/81/644380681.db2.gz OTAXJELWXLEKCR-NWDGAFQWSA-N 1 3 244.379 0.752 20 0 BCADHO CCOCC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923370440 644380690 /nfs/dbraw/zinc/38/06/90/644380690.db2.gz OTAXJELWXLEKCR-NWDGAFQWSA-N 1 3 244.379 0.752 20 0 BCADHO CCOCC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923370442 644381636 /nfs/dbraw/zinc/38/16/36/644381636.db2.gz OTAXJELWXLEKCR-RYUDHWBXSA-N 1 3 244.379 0.752 20 0 BCADHO CCOCC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923370442 644381639 /nfs/dbraw/zinc/38/16/39/644381639.db2.gz OTAXJELWXLEKCR-RYUDHWBXSA-N 1 3 244.379 0.752 20 0 BCADHO CO[C@H](C[NH2+]C(CN)CN)C1CCCCC1 ZINC000923360247 644383502 /nfs/dbraw/zinc/38/35/02/644383502.db2.gz YYPFGWFVOFLHTF-GFCCVEGCSA-N 1 3 229.368 0.457 20 0 BCADHO CC(C)OC[C@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923371274 644384411 /nfs/dbraw/zinc/38/44/11/644384411.db2.gz WTADKBGOHUEWRW-NEPJUHHUSA-N 1 3 244.379 0.750 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923371274 644384405 /nfs/dbraw/zinc/38/44/05/644384405.db2.gz WTADKBGOHUEWRW-NEPJUHHUSA-N 1 3 244.379 0.750 20 0 BCADHO CSC[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923374815 644388759 /nfs/dbraw/zinc/38/87/59/644388759.db2.gz CSVRVCCZLCOCCM-GMTAPVOTSA-N 1 3 232.393 0.627 20 0 BCADHO CO[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@H]1C ZINC000923374586 644390254 /nfs/dbraw/zinc/39/02/54/644390254.db2.gz ZWZQDIOMJFGLJC-DGORSVRFSA-N 1 3 228.336 0.194 20 0 BCADHO CCOCC[C@@H](O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000923381601 644394893 /nfs/dbraw/zinc/39/48/93/644394893.db2.gz JTQBHKYAIUJVEA-IJLUTSLNSA-N 1 3 230.352 0.633 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000923410402 644410985 /nfs/dbraw/zinc/41/09/85/644410985.db2.gz GTWPJBFWAHDXBD-GHMZBOCLSA-N 1 3 232.393 0.914 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000923410402 644410988 /nfs/dbraw/zinc/41/09/88/644410988.db2.gz GTWPJBFWAHDXBD-GHMZBOCLSA-N 1 3 232.393 0.914 20 0 BCADHO CCOCCOCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923414054 644416923 /nfs/dbraw/zinc/41/69/23/644416923.db2.gz ZIMVQCVORQBXIH-NEPJUHHUSA-N 1 3 230.352 0.566 20 0 BCADHO CCOCC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923422802 644419609 /nfs/dbraw/zinc/41/96/09/644419609.db2.gz SGNIUDSHLROUNN-AXFHLTTASA-N 1 3 230.352 0.489 20 0 BCADHO CCOCC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923422802 644419611 /nfs/dbraw/zinc/41/96/11/644419611.db2.gz SGNIUDSHLROUNN-AXFHLTTASA-N 1 3 230.352 0.489 20 0 BCADHO C[C@H](O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426885 644422409 /nfs/dbraw/zinc/42/24/09/644422409.db2.gz HRCNTADNTCHGON-RYUDHWBXSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)OCC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923419807 644424315 /nfs/dbraw/zinc/42/43/15/644424315.db2.gz CXTLLOZEBCCJRV-TUAOUCFPSA-N 1 3 244.379 0.878 20 0 BCADHO CC(C)OCC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419807 644424319 /nfs/dbraw/zinc/42/43/19/644424319.db2.gz CXTLLOZEBCCJRV-TUAOUCFPSA-N 1 3 244.379 0.878 20 0 BCADHO CSCC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923446952 644431943 /nfs/dbraw/zinc/43/19/43/644431943.db2.gz IDRNTAZQOOPXJM-SRVKXCTJSA-N 1 3 244.404 0.912 20 0 BCADHO CCO[C@H](C[NH+]1CCNCCNCC1)C1CC1 ZINC000923459757 644434508 /nfs/dbraw/zinc/43/45/08/644434508.db2.gz FPQVPTFQTSJODX-CYBMUJFWSA-N 1 3 241.379 0.296 20 0 BCADHO CCO[C@H](CN1CCNCC[NH2+]CC1)C1CC1 ZINC000923459757 644434509 /nfs/dbraw/zinc/43/45/09/644434509.db2.gz FPQVPTFQTSJODX-CYBMUJFWSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@@H]1CC[C@H](CN2CCNCC[NH2+]CC2)O1 ZINC000923460368 644436942 /nfs/dbraw/zinc/43/69/42/644436942.db2.gz MSFGPUGFOPXOOJ-VXGBXAGGSA-N 1 3 227.352 0.049 20 0 BCADHO CCCCCNC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923484807 644462838 /nfs/dbraw/zinc/46/28/38/644462838.db2.gz NLOJGAJCCOOHPZ-GFCCVEGCSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@H]1CN(Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923491443 644467272 /nfs/dbraw/zinc/46/72/72/644467272.db2.gz RWYPOZOWDSNGIU-QWRGUYRKSA-N 1 3 222.336 0.837 20 0 BCADHO Cn1cncc1CCCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515064 644477982 /nfs/dbraw/zinc/47/79/82/644477982.db2.gz BSPGUMGMQQGQLK-QWHCGFSZSA-N 1 3 248.374 0.894 20 0 BCADHO CCOCC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515989 644479536 /nfs/dbraw/zinc/47/95/36/644479536.db2.gz PVBBUKKYVODMSD-XQQFMLRXSA-N 1 3 242.363 0.315 20 0 BCADHO Cn1nccc1CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515631 644480122 /nfs/dbraw/zinc/48/01/22/644480122.db2.gz IXMIQNCAKJTUIT-NWDGAFQWSA-N 1 3 234.347 0.504 20 0 BCADHO CCOC[C@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000252684566 644879334 /nfs/dbraw/zinc/87/93/34/644879334.db2.gz GPMVTTRRCKMRML-NEPJUHHUSA-N 1 3 232.368 0.689 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@H](N)CC1CC1 ZINC000304349741 644893766 /nfs/dbraw/zinc/89/37/66/644893766.db2.gz KHXDHNYTDFPDQS-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CCOC[C@H](O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252795133 644907388 /nfs/dbraw/zinc/90/73/88/644907388.db2.gz ZYFJCQAREHTESE-GARJFASQSA-N 1 3 216.325 0.053 20 0 BCADHO C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)C[C@H](C)N1 ZINC000841855322 645230663 /nfs/dbraw/zinc/23/06/63/645230663.db2.gz MWKOJEXTPJDTEL-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO CN1CC[C@@H]1C[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2 ZINC000926894236 645481054 /nfs/dbraw/zinc/48/10/54/645481054.db2.gz LXHANOZKFNIFFA-DAAZQVBGSA-N 1 3 223.364 0.620 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H](N)C1CCC1)C2 ZINC000877372939 645792122 /nfs/dbraw/zinc/79/21/22/645792122.db2.gz KVFCMZCFZGYFCM-DMDPSCGWSA-N 1 3 237.347 0.182 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CC[C@@H]1[NH3+] ZINC000884270019 645871471 /nfs/dbraw/zinc/87/14/71/645871471.db2.gz DVSBOQARJZHLES-WOPDTQHZSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884269488 645872003 /nfs/dbraw/zinc/87/20/03/645872003.db2.gz PCMRLXYTUPKPIC-DVVUODLYSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884271637 645872915 /nfs/dbraw/zinc/87/29/15/645872915.db2.gz IBNOMPCSEREVPX-IQJOONFLSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884271638 645873312 /nfs/dbraw/zinc/87/33/12/645873312.db2.gz IBNOMPCSEREVPX-NGZCFLSTSA-N 1 3 225.336 0.323 20 0 BCADHO C[NH2+]CCCN(C)C[C@@H]1C[C@]12CCOC2 ZINC000886839579 645891341 /nfs/dbraw/zinc/89/13/41/645891341.db2.gz HWDQSDCQHRMFPZ-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758010 646102783 /nfs/dbraw/zinc/10/27/83/646102783.db2.gz RZAPAHMYHQWARJ-NWDGAFQWSA-N 1 3 244.379 0.440 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)O ZINC000925024368 646159840 /nfs/dbraw/zinc/15/98/40/646159840.db2.gz TYNGIYWINYFQHM-ZACCUICWSA-N 1 3 212.337 0.687 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000929637768 646216263 /nfs/dbraw/zinc/21/62/63/646216263.db2.gz ONLBWFUMYNXMNM-OLZOCXBDSA-N 1 3 242.363 0.675 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000929637768 646216267 /nfs/dbraw/zinc/21/62/67/646216267.db2.gz ONLBWFUMYNXMNM-OLZOCXBDSA-N 1 3 242.363 0.675 20 0 BCADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)O)C[C@@H]1C ZINC000929779705 646309283 /nfs/dbraw/zinc/30/92/83/646309283.db2.gz HRXHZOXAYYDCMA-RNJOBUHISA-N 1 3 244.379 0.533 20 0 BCADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)O)C[C@@H]1C ZINC000929779705 646309289 /nfs/dbraw/zinc/30/92/89/646309289.db2.gz HRXHZOXAYYDCMA-RNJOBUHISA-N 1 3 244.379 0.533 20 0 BCADHO CC1(C)C[C@@H](N[C@@H]2CCCNC2=O)C[C@@H]([NH3+])C1 ZINC000925534562 646320097 /nfs/dbraw/zinc/32/00/97/646320097.db2.gz MXGPDVMWYKKBPG-OUAUKWLOSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1CCCCN1CCN[C@H]1C[NH2+]CCOC1 ZINC000925552797 646329270 /nfs/dbraw/zinc/32/92/70/646329270.db2.gz ZOYMCFDFMSHSPZ-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1CCCCN1CCN[C@@H]1C[NH2+]CCOC1 ZINC000925552796 646329824 /nfs/dbraw/zinc/32/98/24/646329824.db2.gz ZOYMCFDFMSHSPZ-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@H]1NCCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000925555723 646331632 /nfs/dbraw/zinc/33/16/32/646331632.db2.gz ITHDAOYJGCGADS-GHMZBOCLSA-N 1 3 235.335 0.619 20 0 BCADHO CCN1CCCC[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574508 646341188 /nfs/dbraw/zinc/34/11/88/646341188.db2.gz RKKJXNIOCPCPEN-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO COCCOC[C@H](C)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925576089 646341643 /nfs/dbraw/zinc/34/16/43/646341643.db2.gz VDBVHELJALKJDA-TUAOUCFPSA-N 1 3 242.363 0.897 20 0 BCADHO COCCOC[C@H](C)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925576089 646341647 /nfs/dbraw/zinc/34/16/47/646341647.db2.gz VDBVHELJALKJDA-TUAOUCFPSA-N 1 3 242.363 0.897 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CO ZINC000925572792 646341825 /nfs/dbraw/zinc/34/18/25/646341825.db2.gz NXSLEHWUQMIFQE-FOSCPWQOSA-N 1 3 226.364 0.935 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCc2n[nH]cc2C1 ZINC000925582220 646346481 /nfs/dbraw/zinc/34/64/81/646346481.db2.gz CYBAHMTYIQSIQS-WCQGTBRESA-N 1 3 234.347 0.997 20 0 BCADHO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000925642390 646383791 /nfs/dbraw/zinc/38/37/91/646383791.db2.gz GQXSNLPLYUZWMJ-TUAOUCFPSA-N 1 3 234.347 0.928 20 0 BCADHO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000925642389 646383967 /nfs/dbraw/zinc/38/39/67/646383967.db2.gz GQXSNLPLYUZWMJ-SRVKXCTJSA-N 1 3 234.347 0.928 20 0 BCADHO C[C@@H]1COCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925669828 646401265 /nfs/dbraw/zinc/40/12/65/646401265.db2.gz FTZAVASFGYDNTB-IJLUTSLNSA-N 1 3 228.336 0.237 20 0 BCADHO C[C@@H](CN(C)C)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925674629 646402263 /nfs/dbraw/zinc/40/22/63/646402263.db2.gz STVWZKLQAVSXGE-RJRAAQABSA-N 1 3 223.364 0.523 20 0 BCADHO CC1(C)C[C@@H]([NH3+])C[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000925679850 646406721 /nfs/dbraw/zinc/40/67/21/646406721.db2.gz MXGPDVMWYKKBPG-AXFHLTTASA-N 1 3 239.363 0.761 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925708184 646432047 /nfs/dbraw/zinc/43/20/47/646432047.db2.gz GMIMUFXLCGRTPU-DDHJBXDOSA-N 1 3 242.363 0.896 20 0 BCADHO C[C@H](N[C@H](CO)C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000925769248 646470422 /nfs/dbraw/zinc/47/04/22/646470422.db2.gz ZZGFMQSELQAUNS-RNJOBUHISA-N 1 3 242.363 0.504 20 0 BCADHO CC[C@@H](CN1CCOCC1)N[C@H](C)C1C[NH2+]C1 ZINC000925825820 646498023 /nfs/dbraw/zinc/49/80/23/646498023.db2.gz IGANQHLAUGQATE-YPMHNXCESA-N 1 3 241.379 0.295 20 0 BCADHO C1=C[C@@H](C[NH2+][C@H]2CCNC2)[C@H]2CO[C@@H]1C2 ZINC000925832730 646500857 /nfs/dbraw/zinc/50/08/57/646500857.db2.gz SOBBRUHZZYBVDF-USZNOCQGSA-N 1 3 208.305 0.529 20 0 BCADHO Cc1cc(CCN[C@H](C)[C@H]2CC[NH2+]C2)nn1C ZINC000925834769 646503197 /nfs/dbraw/zinc/50/31/97/646503197.db2.gz OTBAHELJBNIBBS-NEPJUHHUSA-N 1 3 236.363 0.859 20 0 BCADHO C[C@H](CC(N)=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842353 646508169 /nfs/dbraw/zinc/50/81/69/646508169.db2.gz LZPJRQIJNKUKLJ-CKYFFXLPSA-N 1 3 225.336 0.372 20 0 BCADHO CCOCCOCCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925875196 646525799 /nfs/dbraw/zinc/52/57/99/646525799.db2.gz QITXVXDDIRMGIZ-RYUDHWBXSA-N 1 3 230.352 0.627 20 0 BCADHO [NH3+][C@@H]1C[C@@H](NCCO[C@@H]2CCOC2)C12CCC2 ZINC000925876160 646526437 /nfs/dbraw/zinc/52/64/37/646526437.db2.gz XXTVAJGNHQOCNC-IJLUTSLNSA-N 1 3 240.347 0.651 20 0 BCADHO CCOCCOCCN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925875197 646526614 /nfs/dbraw/zinc/52/66/14/646526614.db2.gz QITXVXDDIRMGIZ-VXGBXAGGSA-N 1 3 230.352 0.627 20 0 BCADHO Cn1nnc2c1C[C@H]([NH2+][C@H]1CCC[C@H]1CN)CC2 ZINC000925893490 646535553 /nfs/dbraw/zinc/53/55/53/646535553.db2.gz OOUQPCUCZPKVNZ-AXFHLTTASA-N 1 3 249.362 0.389 20 0 BCADHO OC[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000160686277 711809428 /nfs/dbraw/zinc/80/94/28/711809428.db2.gz PHMFYQNKNQAXHV-ZDUSSCGKSA-N 1 3 242.363 0.147 20 0 BCADHO CN(CCCCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000379808448 711812078 /nfs/dbraw/zinc/81/20/78/711812078.db2.gz IINKZZYKDMVENF-ZDUSSCGKSA-N 1 3 244.379 0.538 20 0 BCADHO COC[C@H](C[N@H+](C)C[C@H](O)CN)C(C)C ZINC000721911789 711917565 /nfs/dbraw/zinc/91/75/65/711917565.db2.gz KKTWGOMPAIEYSZ-WDEREUQCSA-N 1 3 218.341 0.156 20 0 BCADHO COC[C@H](C[N@@H+](C)C[C@H](O)CN)C(C)C ZINC000721911789 711917566 /nfs/dbraw/zinc/91/75/66/711917566.db2.gz KKTWGOMPAIEYSZ-WDEREUQCSA-N 1 3 218.341 0.156 20 0 BCADHO CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034884355 712098757 /nfs/dbraw/zinc/09/87/57/712098757.db2.gz GELJEKLHAHWJQL-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO COCC(COC)[N@@H+]1CCCCC[C@H](N)C1 ZINC000709055667 712206981 /nfs/dbraw/zinc/20/69/81/712206981.db2.gz IZUSTBOUZIITNW-NSHDSACASA-N 1 3 230.352 0.851 20 0 BCADHO COCC(COC)[N@H+]1CCCCC[C@H](N)C1 ZINC000709055667 712206985 /nfs/dbraw/zinc/20/69/85/712206985.db2.gz IZUSTBOUZIITNW-NSHDSACASA-N 1 3 230.352 0.851 20 0 BCADHO C[C@@H]1COC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000710845027 712258556 /nfs/dbraw/zinc/25/85/56/712258556.db2.gz MFVASIATTOFYQP-MNOVXSKESA-N 1 3 228.336 0.068 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711308645 712294124 /nfs/dbraw/zinc/29/41/24/712294124.db2.gz AWDXRIUKKSEMHF-GHMZBOCLSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)(C)CNC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923479724 712334339 /nfs/dbraw/zinc/33/43/39/712334339.db2.gz SDGSEFQLCUXZQR-NSHDSACASA-N 1 3 241.379 0.819 20 0 BCADHO C[C@@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715490358 712383918 /nfs/dbraw/zinc/38/39/18/712383918.db2.gz JHFAJDWTFHBEPE-VWYCJHECSA-N 1 3 200.326 0.830 20 0 BCADHO C[NH2+]CC(=O)N1CCN(C)C(C)(C)CC1 ZINC000712668001 712440026 /nfs/dbraw/zinc/44/00/26/712440026.db2.gz HMXWCJYXMQIJSJ-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000712536308 712442752 /nfs/dbraw/zinc/44/27/52/712442752.db2.gz RNOPZYUKVBQQJB-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CCNCCC1(C)C ZINC000712536308 712442753 /nfs/dbraw/zinc/44/27/53/712442753.db2.gz RNOPZYUKVBQQJB-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000714244297 712480174 /nfs/dbraw/zinc/48/01/74/712480174.db2.gz FVVOJEUTEDBZFF-NAKRPEOUSA-N 1 3 246.376 0.279 20 0 BCADHO CC(C)(C[NH3+])C1CCN([C@H]2CCNC2=O)CC1 ZINC000714406397 712484955 /nfs/dbraw/zinc/48/49/55/712484955.db2.gz UTPMHWPRUIHFEK-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO COC[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715010023 712504294 /nfs/dbraw/zinc/50/42/94/712504294.db2.gz JWJJLOUAQSJYCH-TUAOUCFPSA-N 1 3 228.336 0.068 20 0 BCADHO C[C@@H](O)CCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717427894 712658287 /nfs/dbraw/zinc/65/82/87/712658287.db2.gz XNRBFTVFQOTAQK-UTUOFQBUSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H](O)CCN1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717427894 712658289 /nfs/dbraw/zinc/65/82/89/712658289.db2.gz XNRBFTVFQOTAQK-UTUOFQBUSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@]1(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCCNC1 ZINC000718159286 712749886 /nfs/dbraw/zinc/74/98/86/712749886.db2.gz IOYYOKLJHAJOGY-FRRDWIJNSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCCNC1 ZINC000718159286 712749888 /nfs/dbraw/zinc/74/98/88/712749888.db2.gz IOYYOKLJHAJOGY-FRRDWIJNSA-N 1 3 224.348 0.954 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029516 712800511 /nfs/dbraw/zinc/80/05/11/712800511.db2.gz MVPOBBQROZFIMN-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720904075 712876185 /nfs/dbraw/zinc/87/61/85/712876185.db2.gz WGWKBLQNRYCSSF-VWYCJHECSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720895497 712876815 /nfs/dbraw/zinc/87/68/15/712876815.db2.gz XWGJZHOOZNRBSB-GUBZILKMSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895497 712876818 /nfs/dbraw/zinc/87/68/18/712876818.db2.gz XWGJZHOOZNRBSB-GUBZILKMSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720895497 712876822 /nfs/dbraw/zinc/87/68/22/712876822.db2.gz XWGJZHOOZNRBSB-GUBZILKMSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@H]1CC(=O)N(C)C1 ZINC000723599120 710729315 /nfs/dbraw/zinc/72/93/15/710729315.db2.gz IIBNMKMIBSEGOU-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C)CCONC(=O)CC[NH2+]C(C)(C)C ZINC000382081258 710773207 /nfs/dbraw/zinc/77/32/07/710773207.db2.gz IMNSINHDWWVOBY-UHFFFAOYSA-N 1 3 231.340 0.374 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCCC1 ZINC000384809575 710996579 /nfs/dbraw/zinc/99/65/79/710996579.db2.gz FCBJGAQXSARSDB-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@@H]1CN(C[C@H](O)COC)CC[C@@H]1[NH3+] ZINC000147531176 711014685 /nfs/dbraw/zinc/01/46/85/711014685.db2.gz BXYXYMQGJFHTTF-VWYCJHECSA-N 1 3 216.325 0.053 20 0 BCADHO CN1CCN(C[C@@H]([NH3+])CC(F)F)CC1(C)C ZINC000390624256 711129429 /nfs/dbraw/zinc/12/94/29/711129429.db2.gz GSVGQZNXUHCBBA-VIFPVBQESA-N 1 3 235.322 0.995 20 0 BCADHO C[C@H](CCCO)CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000394984682 711199973 /nfs/dbraw/zinc/19/99/73/711199973.db2.gz HRPJKDZABVABLX-WFQJECDVSA-N 1 3 238.375 0.981 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H]1CC[C@@H](O)C1 ZINC000396575729 711354812 /nfs/dbraw/zinc/35/48/12/711354812.db2.gz CGVXGBGBNDYMMC-YFKTTZPYSA-N 1 3 212.337 0.878 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@H]1CCCN1C ZINC000396604260 711358653 /nfs/dbraw/zinc/35/86/53/711358653.db2.gz OIMJNYSNROIZNQ-QJPTWQEYSA-N 1 3 211.353 0.811 20 0 BCADHO Cc1nccn1CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000396609323 711359980 /nfs/dbraw/zinc/35/99/80/711359980.db2.gz AYJQBAHEPHQRJV-CMPLNLGQSA-N 1 3 222.336 0.922 20 0 BCADHO Cc1nccn1CC[NH2+][C@@H]1CCCN[C@H]1C ZINC000396609323 711359981 /nfs/dbraw/zinc/35/99/81/711359981.db2.gz AYJQBAHEPHQRJV-CMPLNLGQSA-N 1 3 222.336 0.922 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCOCCO ZINC000396726469 711369207 /nfs/dbraw/zinc/36/92/07/711369207.db2.gz YWLCUEQROGNJBA-QWRGUYRKSA-N 1 3 216.325 0.116 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCC1(CO)CC1 ZINC000396645279 711362473 /nfs/dbraw/zinc/36/24/73/711362473.db2.gz BYKUTBHWONTIDL-QWRGUYRKSA-N 1 3 212.337 0.879 20 0 BCADHO CC(C)[C@H](CO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396640785 711363525 /nfs/dbraw/zinc/36/35/25/711363525.db2.gz MQFSVGSWNSDXPU-WOPDTQHZSA-N 1 3 214.353 0.981 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CC1CC1 ZINC000304396428 711452224 /nfs/dbraw/zinc/45/22/24/711452224.db2.gz VAEMMGPDSCLZHG-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CCOC(=O)[C@H](CC)N1CC[C@@H](CC[NH3+])C1 ZINC000723713673 711536083 /nfs/dbraw/zinc/53/60/83/711536083.db2.gz XGUVZBBMJRHKJE-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO C[C@@H]1COCCC[N@@H+]1C[C@H](O)CN1CCCC1 ZINC000382657879 711546670 /nfs/dbraw/zinc/54/66/70/711546670.db2.gz IAENEJKJQDNXSZ-CHWSQXEVSA-N 1 3 242.363 0.554 20 0 BCADHO C[C@@H]1COCCC[N@H+]1C[C@H](O)CN1CCCC1 ZINC000382657879 711546674 /nfs/dbraw/zinc/54/66/74/711546674.db2.gz IAENEJKJQDNXSZ-CHWSQXEVSA-N 1 3 242.363 0.554 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCO[C@@H]1CCOC1)C2 ZINC000724960434 711634523 /nfs/dbraw/zinc/63/45/23/711634523.db2.gz NSNVNGNAASWKOY-QNWHQSFQSA-N 1 3 240.347 0.604 20 0 BCADHO C[C@@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CCCCN1 ZINC000925875596 711761623 /nfs/dbraw/zinc/76/16/23/711761623.db2.gz VDAWFQCAPFRWDJ-FRRDWIJNSA-N 1 3 242.363 0.912 20 0 BCADHO C[C@@H]([NH2+]CCO[C@H]1CCOC1)[C@@H]1CCCCN1 ZINC000925875594 711761692 /nfs/dbraw/zinc/76/16/92/711761692.db2.gz VDAWFQCAPFRWDJ-AGIUHOORSA-N 1 3 242.363 0.912 20 0 BCADHO CO[C@H]1C[C@@H](CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000721917930 711919685 /nfs/dbraw/zinc/91/96/85/711919685.db2.gz CLLOSTVPNDJUET-FIQHERPVSA-N 1 3 210.321 0.563 20 0 BCADHO COC(=O)N(C)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000701680438 712027937 /nfs/dbraw/zinc/02/79/37/712027937.db2.gz IVFORFAZDADODN-UWVGGRQHSA-N 1 3 229.324 0.402 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000701680438 712027938 /nfs/dbraw/zinc/02/79/38/712027938.db2.gz IVFORFAZDADODN-UWVGGRQHSA-N 1 3 229.324 0.402 20 0 BCADHO C[N@H+]1C[C@H]2CN(c3ccnc(CO)c3)C[C@H]2C1 ZINC000705606108 712133308 /nfs/dbraw/zinc/13/33/08/712133308.db2.gz IHXGGPCZLCKXJM-PHIMTYICSA-N 1 3 233.315 0.572 20 0 BCADHO C[N@@H+]1C[C@H]2CN(c3ccnc(CO)c3)C[C@H]2C1 ZINC000705606108 712133310 /nfs/dbraw/zinc/13/33/10/712133310.db2.gz IHXGGPCZLCKXJM-PHIMTYICSA-N 1 3 233.315 0.572 20 0 BCADHO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)nc(N)n1 ZINC000708458406 712194769 /nfs/dbraw/zinc/19/47/69/712194769.db2.gz MYVXPGNCPWZEMB-JTQLQIEISA-N 1 3 235.335 0.755 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000709038921 712205968 /nfs/dbraw/zinc/20/59/68/712205968.db2.gz MUZRCTRPFXDUDX-GHMZBOCLSA-N 1 3 216.325 0.197 20 0 BCADHO COC[C@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000709038921 712205970 /nfs/dbraw/zinc/20/59/70/712205970.db2.gz MUZRCTRPFXDUDX-GHMZBOCLSA-N 1 3 216.325 0.197 20 0 BCADHO CN(CCCCCC[NH3+])[C@H]1CCN(C)C1=O ZINC000708522867 712212230 /nfs/dbraw/zinc/21/22/30/712212230.db2.gz KILJVTNEZVOCFH-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@H+](CCn2cnnn2)[C@H]1C ZINC000712613160 712438090 /nfs/dbraw/zinc/43/80/90/712438090.db2.gz ACBCTHYVRXAICJ-VWYCJHECSA-N 1 3 238.339 0.121 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCn2cnnn2)[C@H]1C ZINC000712613160 712438091 /nfs/dbraw/zinc/43/80/91/712438091.db2.gz ACBCTHYVRXAICJ-VWYCJHECSA-N 1 3 238.339 0.121 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712621243 712438419 /nfs/dbraw/zinc/43/84/19/712438419.db2.gz HCJDJSUGVVPXOY-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCF ZINC000716744566 712572123 /nfs/dbraw/zinc/57/21/23/712572123.db2.gz CCANWLFHVHQDRC-NSHDSACASA-N 1 3 220.332 0.979 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCF ZINC000716744566 712572125 /nfs/dbraw/zinc/57/21/25/712572125.db2.gz CCANWLFHVHQDRC-NSHDSACASA-N 1 3 220.332 0.979 20 0 BCADHO C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1)CN(C)C ZINC000380093654 712685689 /nfs/dbraw/zinc/68/56/89/712685689.db2.gz VMXMZWFUUZZCKZ-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO COCC(COC)N1CCC[C@@H](C[NH3+])C1 ZINC000384949418 712707146 /nfs/dbraw/zinc/70/71/46/712707146.db2.gz LKMTTYAFWCTEJN-JTQLQIEISA-N 1 3 216.325 0.319 20 0 BCADHO CCC[N@H+](C[C@@H](C)O)C1CCNCC1 ZINC000037688245 712738724 /nfs/dbraw/zinc/73/87/24/712738724.db2.gz QXOPBOFXLRRCOU-SNVBAGLBSA-N 1 3 200.326 0.831 20 0 BCADHO CCC[N@@H+](C[C@@H](C)O)C1CCNCC1 ZINC000037688245 712738725 /nfs/dbraw/zinc/73/87/25/712738725.db2.gz QXOPBOFXLRRCOU-SNVBAGLBSA-N 1 3 200.326 0.831 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718461527 712763814 /nfs/dbraw/zinc/76/38/14/712763814.db2.gz UWINZVIEFKVETK-POSLAHMBSA-N 1 3 239.363 0.748 20 0 BCADHO CC[NH+](CC)CC1CCN(C(=O)CN)CC1 ZINC000037826215 712768838 /nfs/dbraw/zinc/76/88/38/712768838.db2.gz QSMOAKNLWOTSKA-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO C[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416470 712841005 /nfs/dbraw/zinc/84/10/05/712841005.db2.gz PZYJQSNTCWNGDE-VXGBXAGGSA-N 1 3 240.347 0.618 20 0 BCADHO C[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000720416465 712841019 /nfs/dbraw/zinc/84/10/19/712841019.db2.gz PZYJQSNTCWNGDE-NEPJUHHUSA-N 1 3 240.347 0.618 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720887331 712874424 /nfs/dbraw/zinc/87/44/24/712874424.db2.gz IGLRSSRZABZGIK-TUAOUCFPSA-N 1 3 239.363 0.680 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901456 712875744 /nfs/dbraw/zinc/87/57/44/712875744.db2.gz SALRTASNGGPNAT-FIQHERPVSA-N 1 3 237.347 0.419 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963268 712883551 /nfs/dbraw/zinc/88/35/51/712883551.db2.gz SRMCYHGQBVNWSW-BJDJZHNGSA-N 1 3 212.337 0.864 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H]1NCC1(C)C ZINC000649276636 398135484 /nfs/dbraw/zinc/13/54/84/398135484.db2.gz UUEBTDGIKXSCPI-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CCNC(=O)N1CCCN(C(C)C)CC1 ZINC000418328679 192025390 /nfs/dbraw/zinc/02/53/90/192025390.db2.gz NTTLOSRNQJWLLW-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](C)N(C)C ZINC000045108040 168321257 /nfs/dbraw/zinc/32/12/57/168321257.db2.gz UMZMNCOKOJVDNC-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCN(C2CC2)C1 ZINC000649322652 398144754 /nfs/dbraw/zinc/14/47/54/398144754.db2.gz CGTOQKLCNGMNFM-WUHRBBMRSA-N 1 3 249.358 0.147 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153238875 136212834 /nfs/dbraw/zinc/21/28/34/136212834.db2.gz PXVOZVYZVUQVSD-PHIMTYICSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153238875 136212835 /nfs/dbraw/zinc/21/28/35/136212835.db2.gz PXVOZVYZVUQVSD-PHIMTYICSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649342313 398158962 /nfs/dbraw/zinc/15/89/62/398158962.db2.gz ZGBSOAWBWWLOMD-KKOKHZNYSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCN1C ZINC000649333371 398150034 /nfs/dbraw/zinc/15/00/34/398150034.db2.gz PHKGJGFXJPZLFN-ZIQFBCGOSA-N 1 3 237.347 0.336 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000649335045 398152295 /nfs/dbraw/zinc/15/22/95/398152295.db2.gz ARIVPEUHHDRKNJ-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)[NH3+])N(CC)CC ZINC000649359828 398171678 /nfs/dbraw/zinc/17/16/78/398171678.db2.gz FAYPPYYHYICXGL-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)[NH3+])N(CC)CC ZINC000649359826 398171783 /nfs/dbraw/zinc/17/17/83/398171783.db2.gz FAYPPYYHYICXGL-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO C[NH2+]CCCN(CCO)CC(C)(C)C ZINC000380000809 398180477 /nfs/dbraw/zinc/18/04/77/398180477.db2.gz MNGXKNPNWXBOCF-UHFFFAOYSA-N 1 3 202.342 0.936 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000336746186 398188060 /nfs/dbraw/zinc/18/80/60/398188060.db2.gz RECZLESZQVFPKN-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000576228258 365529505 /nfs/dbraw/zinc/52/95/05/365529505.db2.gz CVRJMLBFWIQYJT-VWYCJHECSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)CC(F)F)C1 ZINC000576230838 365531317 /nfs/dbraw/zinc/53/13/17/365531317.db2.gz PUYBNMRNVPZTRZ-BDAKNGLRSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CC(F)F)C1 ZINC000576230838 365531320 /nfs/dbraw/zinc/53/13/20/365531320.db2.gz PUYBNMRNVPZTRZ-BDAKNGLRSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)N1CCCC1)C1C[NH2+]C1 ZINC000164695682 398202580 /nfs/dbraw/zinc/20/25/80/398202580.db2.gz WVVTYOGFACUQMT-WDEREUQCSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926995 398204748 /nfs/dbraw/zinc/20/47/48/398204748.db2.gz QASHMSJESKZSAK-TUAOUCFPSA-N 1 3 239.363 0.713 20 0 BCADHO [NH3+]C[C@@H](NCCn1cncn1)C1CCCCC1 ZINC000649420217 398219422 /nfs/dbraw/zinc/21/94/22/398219422.db2.gz PXXDRUXCUNDSKQ-GFCCVEGCSA-N 1 3 237.351 0.775 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418384031 192030905 /nfs/dbraw/zinc/03/09/05/192030905.db2.gz NVCYWASOONWYIG-SNVBAGLBSA-N 1 3 240.351 0.084 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418403751 192033531 /nfs/dbraw/zinc/03/35/31/192033531.db2.gz JUTCLUDAQXNWAF-GARJFASQSA-N 1 3 242.367 0.362 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000230948481 488174073 /nfs/dbraw/zinc/17/40/73/488174073.db2.gz NYLCQAUHIAQXSK-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418403752 192033901 /nfs/dbraw/zinc/03/39/01/192033901.db2.gz JUTCLUDAQXNWAF-GMTAPVOTSA-N 1 3 242.367 0.362 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430758994 398231179 /nfs/dbraw/zinc/23/11/79/398231179.db2.gz FAWGICLFOIDAFB-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430758994 398231181 /nfs/dbraw/zinc/23/11/81/398231181.db2.gz FAWGICLFOIDAFB-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CN(CC[NH+](C)C)C(=O)CN(C)C1CCC1 ZINC000629968277 361817007 /nfs/dbraw/zinc/81/70/07/361817007.db2.gz ZGBIWPHRIPBYMV-UHFFFAOYSA-N 1 3 227.352 0.491 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000669528891 488176550 /nfs/dbraw/zinc/17/65/50/488176550.db2.gz PPVRYQHALLWSKT-YWVKMMECSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)CCN(C)C ZINC000418426145 192036924 /nfs/dbraw/zinc/03/69/24/192036924.db2.gz LOXZGMFIGOPVII-LLVKDONJSA-N 1 3 244.383 0.563 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)[NH3+] ZINC000418421009 192037164 /nfs/dbraw/zinc/03/71/64/192037164.db2.gz BSQXFNHEDRUONC-UHFFFAOYSA-N 1 3 244.383 0.705 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000576519724 365615940 /nfs/dbraw/zinc/61/59/40/365615940.db2.gz FXNYITFFBMHSPI-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000576519724 365615942 /nfs/dbraw/zinc/61/59/42/365615942.db2.gz FXNYITFFBMHSPI-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000381282195 398247525 /nfs/dbraw/zinc/24/75/25/398247525.db2.gz YMWJYKWQLNLLLK-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@]1(C)CO ZINC000576644439 365647399 /nfs/dbraw/zinc/64/73/99/365647399.db2.gz FUZHMGNNXHJVHF-FRRDWIJNSA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@]1(C)CO ZINC000576644439 365647403 /nfs/dbraw/zinc/64/74/03/365647403.db2.gz FUZHMGNNXHJVHF-FRRDWIJNSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H]([NH2+][C@H](C)C1CCN(C)CC1)C(=O)N(C)C ZINC000036793949 538961238 /nfs/dbraw/zinc/96/12/38/538961238.db2.gz YRXCSBXMYKCLPC-GHMZBOCLSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517742426 342745865 /nfs/dbraw/zinc/74/58/65/342745865.db2.gz DZAVOMHXKHOWIH-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO CSCC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593251 349615838 /nfs/dbraw/zinc/61/58/38/349615838.db2.gz WCNFYOUFQATFBS-KXUCPTDWSA-N 1 3 243.376 0.030 20 0 BCADHO CC[C@@H](C(=O)NCC1([NH2+]C)CCC1)N(C)C ZINC000630002609 361889702 /nfs/dbraw/zinc/88/97/02/361889702.db2.gz XFMPJOYQKOQIPQ-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648165932 398293090 /nfs/dbraw/zinc/29/30/90/398293090.db2.gz XJKLSYNMZCQTMP-JLLWLGSASA-N 1 3 237.347 0.289 20 0 BCADHO NC1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CCC1 ZINC000335479945 398291031 /nfs/dbraw/zinc/29/10/31/398291031.db2.gz PRIITWNYLHVOPY-JTQLQIEISA-N 1 3 225.336 0.455 20 0 BCADHO C[C@]1(CN2CCNC[C@@](C)(F)C2)CC[NH2+]C1 ZINC000335479506 398291113 /nfs/dbraw/zinc/29/11/13/398291113.db2.gz KPGURGMQCGFUAA-NWDGAFQWSA-N 1 3 229.343 0.619 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C[NH3+] ZINC000418515942 192046031 /nfs/dbraw/zinc/04/60/31/192046031.db2.gz RARXGNCHDJUCBV-LLVKDONJSA-N 1 3 244.383 0.563 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417818962 398294015 /nfs/dbraw/zinc/29/40/15/398294015.db2.gz SVFFNOUXJSZLLJ-WDEREUQCSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418521184 192047192 /nfs/dbraw/zinc/04/71/92/192047192.db2.gz IBZPLCACABIERM-OPRDCNLKSA-N 1 3 228.340 0.116 20 0 BCADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H](C)C[NH3+])C1 ZINC000418516894 192046572 /nfs/dbraw/zinc/04/65/72/192046572.db2.gz UALLTRSSVMGRQW-MNOVXSKESA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H](C(=O)N1CCNC(C)(C)C1)[C@H](C)[NH3+] ZINC000335628241 136241304 /nfs/dbraw/zinc/24/13/04/136241304.db2.gz ZEJFGJNAILEDNU-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191367037 398298571 /nfs/dbraw/zinc/29/85/71/398298571.db2.gz CPSUKMNFCYYXCE-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000417883467 398299264 /nfs/dbraw/zinc/29/92/64/398299264.db2.gz WKNQLZXQSGSYFI-KOLCDFICSA-N 1 3 240.351 0.117 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CCC[NH3+] ZINC000037049926 398300215 /nfs/dbraw/zinc/30/02/15/398300215.db2.gz RHUCKMDEPOZENI-UHFFFAOYSA-N 1 3 201.314 0.134 20 0 BCADHO COC[C@H](O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000300396281 259326876 /nfs/dbraw/zinc/32/68/76/259326876.db2.gz BIOFYVRCFHVXEV-GARJFASQSA-N 1 3 216.325 0.243 20 0 BCADHO COC[C@H](O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000300396281 259326877 /nfs/dbraw/zinc/32/68/77/259326877.db2.gz BIOFYVRCFHVXEV-GARJFASQSA-N 1 3 216.325 0.243 20 0 BCADHO CO[C@@H](CNCCC[NH+](C)C)C1CC1 ZINC000382157014 398308008 /nfs/dbraw/zinc/30/80/08/398308008.db2.gz RLIQABUIEZRBRV-NSHDSACASA-N 1 3 200.326 0.953 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000167342109 136245635 /nfs/dbraw/zinc/24/56/35/136245635.db2.gz HVGIAZIOVOLLQG-JQWIXIFHSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000167342109 136245636 /nfs/dbraw/zinc/24/56/36/136245636.db2.gz HVGIAZIOVOLLQG-JQWIXIFHSA-N 1 3 241.379 0.959 20 0 BCADHO C[NH2+]CCC(=O)Nc1cccc(CN)c1 ZINC000381264023 398312364 /nfs/dbraw/zinc/31/23/64/398312364.db2.gz SWHHTZHXYAWTSO-UHFFFAOYSA-N 1 3 207.277 0.693 20 0 BCADHO C[C@@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000037042448 342916422 /nfs/dbraw/zinc/91/64/22/342916422.db2.gz HBDQHOXCIUHBQD-MRVPVSSYSA-N 1 3 211.309 0.077 20 0 BCADHO CC(C)[NH+]1CCC(NC(=O)CNC2CC2)CC1 ZINC000037609636 398332462 /nfs/dbraw/zinc/33/24/62/398332462.db2.gz GSWPERXZZBEAOE-UHFFFAOYSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H](O)C[NH+]1CCC(N(C)C)CC1 ZINC000037694123 342941311 /nfs/dbraw/zinc/94/13/11/342941311.db2.gz FBQIYDGUTKPCPU-LLVKDONJSA-N 1 3 200.326 0.783 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(N)=O)C1 ZINC000580314396 346896821 /nfs/dbraw/zinc/89/68/21/346896821.db2.gz PNYJPDBGLZTHNJ-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(N)=O)C1 ZINC000580314396 346896823 /nfs/dbraw/zinc/89/68/23/346896823.db2.gz PNYJPDBGLZTHNJ-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCCCNC(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351856799 136258277 /nfs/dbraw/zinc/25/82/77/136258277.db2.gz WKXDBNUEMFNMKP-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO NC(C(=O)N1CCC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000336003905 136263382 /nfs/dbraw/zinc/26/33/82/136263382.db2.gz YVRXXYHCWCBIKD-BQBZGAKWSA-N 1 3 239.241 0.073 20 0 BCADHO NC(C(=O)N1CCC[C@H](C[NH3+])C1)C(F)(F)F ZINC000336003908 136263384 /nfs/dbraw/zinc/26/33/84/136263384.db2.gz YVRXXYHCWCBIKD-RQJHMYQMSA-N 1 3 239.241 0.073 20 0 BCADHO CN1CCC(C(=O)NC(C)(C)C[NH3+])CC1 ZINC000082241518 343052770 /nfs/dbraw/zinc/05/27/70/343052770.db2.gz UIWJNENVYGDTQP-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[C@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584882026 343083666 /nfs/dbraw/zinc/08/36/66/343083666.db2.gz XTYNVBBSKZURHJ-WPRPVWTQSA-N 1 3 209.297 0.468 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237067092 343122428 /nfs/dbraw/zinc/12/24/28/343122428.db2.gz IZUZUEIURVTPOD-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN1CCCCC1 ZINC000049575513 343113109 /nfs/dbraw/zinc/11/31/09/343113109.db2.gz FFMNGWMLEUUBEV-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236997142 343116862 /nfs/dbraw/zinc/11/68/62/343116862.db2.gz YAQQAZLSDNSLLH-DCAQKATOSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000092956368 343150245 /nfs/dbraw/zinc/15/02/45/343150245.db2.gz YKLFXWJVHLNYSK-UMNHJUIQSA-N 1 3 237.347 0.337 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092956419 343150175 /nfs/dbraw/zinc/15/01/75/343150175.db2.gz DRXAURSSEIQYSS-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)(C[NH3+])C(=O)NCCN1CCCCCC1 ZINC000123090905 343161470 /nfs/dbraw/zinc/16/14/70/343161470.db2.gz VLVOIXXWUGLQBU-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000576967038 365737007 /nfs/dbraw/zinc/73/70/07/365737007.db2.gz GXIWYLXDHPCNAD-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000576967038 365737009 /nfs/dbraw/zinc/73/70/09/365737009.db2.gz GXIWYLXDHPCNAD-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO NC1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000147785638 343198364 /nfs/dbraw/zinc/19/83/64/343198364.db2.gz DZMGHHLHIJSWNB-SNVBAGLBSA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000147785638 343198366 /nfs/dbraw/zinc/19/83/66/343198366.db2.gz DZMGHHLHIJSWNB-SNVBAGLBSA-N 1 3 237.347 0.468 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471736 136281425 /nfs/dbraw/zinc/28/14/25/136281425.db2.gz QNVQYHUHSCOKHP-VHSXEESVSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091292 136284230 /nfs/dbraw/zinc/28/42/30/136284230.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000088091292 136284231 /nfs/dbraw/zinc/28/42/31/136284231.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091292 136284232 /nfs/dbraw/zinc/28/42/32/136284232.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091292 136284233 /nfs/dbraw/zinc/28/42/33/136284233.db2.gz CPASRYJVBXTINR-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CC[C@@H](C[NH2+]C2(CO)CCNCC2)O1 ZINC000634688310 343246974 /nfs/dbraw/zinc/24/69/74/343246974.db2.gz PBLYUSRGQZSHNI-MNOVXSKESA-N 1 3 228.336 0.258 20 0 BCADHO CC[NH+]1CCC(N(C)C[C@@H]2CNCCO2)CC1 ZINC000043802983 488210285 /nfs/dbraw/zinc/21/02/85/488210285.db2.gz BNNBCPXOXFPQHG-ZDUSSCGKSA-N 1 3 241.379 0.391 20 0 BCADHO CC(C)[NH+]1CCC(N[C@@H](C)CO)CC1 ZINC000035603671 343300009 /nfs/dbraw/zinc/30/00/09/343300009.db2.gz QEAWGLGDMFWZDK-JTQLQIEISA-N 1 3 200.326 0.830 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000335626885 136299645 /nfs/dbraw/zinc/29/96/45/136299645.db2.gz KXUJQRXNHIROJY-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C)[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335627351 136299799 /nfs/dbraw/zinc/29/97/99/136299799.db2.gz PSYBMABPKHWYOS-SECBINFHSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH+](C)CC1CCN([C@H]2CCCNC2=O)CC1 ZINC000335673461 136317368 /nfs/dbraw/zinc/31/73/68/136317368.db2.gz JNSSWDRDNNPVKP-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@]1(C(=O)N[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000335654720 136305977 /nfs/dbraw/zinc/30/59/77/136305977.db2.gz ZVFFVOWUKWSUCH-WCBMZHEXSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@@H]1CCN(C(=O)C2(N)CCC2)C[C@H]1C[NH3+] ZINC000335658571 136307145 /nfs/dbraw/zinc/30/71/45/136307145.db2.gz VUIKMOCTCYSGJS-NXEZZACHSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@@H]1CCN(C(=O)C2(N)CCC2)C[C@@H]1C[NH3+] ZINC000335658574 136307309 /nfs/dbraw/zinc/30/73/09/136307309.db2.gz VUIKMOCTCYSGJS-ZJUUUORDSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCn2cccn2)C1 ZINC000166221042 136310578 /nfs/dbraw/zinc/31/05/78/136310578.db2.gz BZAVZJXTDFQYTK-GHMZBOCLSA-N 1 3 208.309 0.552 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCCC1 ZINC000335662262 136315417 /nfs/dbraw/zinc/31/54/17/136315417.db2.gz IFNAFCJNOQFLJO-QWRGUYRKSA-N 1 3 239.363 0.892 20 0 BCADHO NC1(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000335662879 136315595 /nfs/dbraw/zinc/31/55/95/136315595.db2.gz PMFPXDQLUQWAJY-QWRGUYRKSA-N 1 3 237.347 0.326 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000349084891 136322530 /nfs/dbraw/zinc/32/25/30/136322530.db2.gz ZKFCCEJRKDYNNV-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040430937 343403098 /nfs/dbraw/zinc/40/30/98/343403098.db2.gz XFYBZUXCROCCGL-ZYHUDNBSSA-N 1 3 235.331 0.753 20 0 BCADHO C[C@H](NC(=O)C1(N)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000335694159 136326324 /nfs/dbraw/zinc/32/63/24/136326324.db2.gz PZXAKYSWCKPVPF-WDEREUQCSA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624490 343408006 /nfs/dbraw/zinc/40/80/06/343408006.db2.gz OGZXGRVPMIYRHT-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624490 343408008 /nfs/dbraw/zinc/40/80/08/343408008.db2.gz OGZXGRVPMIYRHT-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000310534192 343527877 /nfs/dbraw/zinc/52/78/77/343527877.db2.gz OVHXVHNEFPGVMQ-LBPRGKRZSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)C(C)(C)C1 ZINC000310534192 343527881 /nfs/dbraw/zinc/52/78/81/343527881.db2.gz OVHXVHNEFPGVMQ-LBPRGKRZSA-N 1 3 243.395 0.325 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418703398 192063185 /nfs/dbraw/zinc/06/31/85/192063185.db2.gz QNLFVXZBWFXMAU-UTINFBMNSA-N 1 3 228.340 0.114 20 0 BCADHO COC[C@@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000379941975 365755737 /nfs/dbraw/zinc/75/57/37/365755737.db2.gz ZEXVHYUWKDVWPG-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO COC[C@H](C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000379941979 365755753 /nfs/dbraw/zinc/75/57/53/365755753.db2.gz ZEXVHYUWKDVWPG-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000580560549 365764351 /nfs/dbraw/zinc/76/43/51/365764351.db2.gz LFENLKKDWXUNFD-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cn[nH]c2)C1 ZINC000379585163 343577876 /nfs/dbraw/zinc/57/78/76/343577876.db2.gz XPGYOKJUCCUYEO-GHMZBOCLSA-N 1 3 208.309 0.812 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585163 343577879 /nfs/dbraw/zinc/57/78/79/343577879.db2.gz XPGYOKJUCCUYEO-GHMZBOCLSA-N 1 3 208.309 0.812 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1CCO ZINC000380004313 365794833 /nfs/dbraw/zinc/79/48/33/365794833.db2.gz YWEUKMMRPYSLAC-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1CCO ZINC000380004313 365794836 /nfs/dbraw/zinc/79/48/36/365794836.db2.gz YWEUKMMRPYSLAC-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO C[C@@H](NC(=O)N1CCN(C)CC[C@H]1C)[C@H](C)[NH3+] ZINC000418716277 192063904 /nfs/dbraw/zinc/06/39/04/192063904.db2.gz ZPNLXBJHWZEMLB-OUAUKWLOSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@@H+]1C ZINC000154669645 343745691 /nfs/dbraw/zinc/74/56/91/343745691.db2.gz GWYJYIILNQPAMY-ZYHUDNBSSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)CNC2CC2)CC[N@H+]1C ZINC000154669645 343745692 /nfs/dbraw/zinc/74/56/92/343745692.db2.gz GWYJYIILNQPAMY-ZYHUDNBSSA-N 1 3 239.363 0.680 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000154274020 343713212 /nfs/dbraw/zinc/71/32/12/343713212.db2.gz UXBQTHSSADPGIZ-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC000557633996 343714933 /nfs/dbraw/zinc/71/49/33/343714933.db2.gz QTKQBYXIDGRDLY-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(N)C(F)(F)F ZINC000577061268 365798017 /nfs/dbraw/zinc/79/80/17/365798017.db2.gz FOMNMVISLBLKHP-QYNIQEEDSA-N 1 3 239.241 0.072 20 0 BCADHO NC1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000570451694 323060079 /nfs/dbraw/zinc/06/00/79/323060079.db2.gz YPPCBPNWHRVLLM-UHFFFAOYSA-N 1 3 237.347 0.468 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CC[NH2+]1 ZINC000564450588 343938801 /nfs/dbraw/zinc/93/88/01/343938801.db2.gz WDLMBCSYKVVVPE-RKDXNWHRSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000577222090 343935571 /nfs/dbraw/zinc/93/55/71/343935571.db2.gz DRHOVVLZKQJHAN-XFWSIPNHSA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)[C@@H](N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641233791 362285787 /nfs/dbraw/zinc/28/57/87/362285787.db2.gz YWIXIVYETUDOFX-GFCCVEGCSA-N 1 3 237.351 0.934 20 0 BCADHO CC(C)(N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000335797864 192068328 /nfs/dbraw/zinc/06/83/28/192068328.db2.gz ZLPRDRWEZJMQTF-LLVKDONJSA-N 1 3 213.325 0.230 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000155235438 344108995 /nfs/dbraw/zinc/10/89/95/344108995.db2.gz BFWNHEJYUSAWNA-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741964 344163500 /nfs/dbraw/zinc/16/35/00/344163500.db2.gz UZGYQUDSOXPVPF-ZMLRMANQSA-N 1 3 225.336 0.052 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634744074 344164766 /nfs/dbraw/zinc/16/47/66/344164766.db2.gz MWSLPTYDVMJODF-JLLWLGSASA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000130334452 344131225 /nfs/dbraw/zinc/13/12/25/344131225.db2.gz QOYNFWIKKGVYEU-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000130334452 344131228 /nfs/dbraw/zinc/13/12/28/344131228.db2.gz QOYNFWIKKGVYEU-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H]([NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000130387979 344134729 /nfs/dbraw/zinc/13/47/29/344134729.db2.gz VNDVEHAONHEKRH-CYBMUJFWSA-N 1 3 249.358 0.972 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130556819 344148142 /nfs/dbraw/zinc/14/81/42/344148142.db2.gz ZMLYDHBTEYQVGX-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000130556819 344148144 /nfs/dbraw/zinc/14/81/44/344148144.db2.gz ZMLYDHBTEYQVGX-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000130580596 344149855 /nfs/dbraw/zinc/14/98/55/344149855.db2.gz CSDXONQYWIVISF-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000130580596 344149857 /nfs/dbraw/zinc/14/98/57/344149857.db2.gz CSDXONQYWIVISF-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634749595 344193044 /nfs/dbraw/zinc/19/30/44/344193044.db2.gz AAOHLGRUMDEOTF-TXEJJXNPSA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752495 344203502 /nfs/dbraw/zinc/20/35/02/344203502.db2.gz MYXAIHVBAJISEO-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752237 344204329 /nfs/dbraw/zinc/20/43/29/344204329.db2.gz IGVXEKKCVMSWDM-SECBINFHSA-N 1 3 227.352 0.618 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634770022 344283871 /nfs/dbraw/zinc/28/38/71/344283871.db2.gz WRUSRRBLZCZZMF-UMNHJUIQSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000131607170 344313356 /nfs/dbraw/zinc/31/33/56/344313356.db2.gz VVQPMRDURUPSFS-JTQLQIEISA-N 1 3 213.325 0.086 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000131621988 344315770 /nfs/dbraw/zinc/31/57/70/344315770.db2.gz BMPGNSLGHPWLAF-GFCCVEGCSA-N 1 3 235.331 0.282 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000131774841 344333864 /nfs/dbraw/zinc/33/38/64/344333864.db2.gz FHYGREVZVFTNOS-VHSXEESVSA-N 1 3 245.392 0.277 20 0 BCADHO COC(=O)CCCC[N@H+](C)CCCN ZINC000600702911 344359853 /nfs/dbraw/zinc/35/98/53/344359853.db2.gz IVRNZOQVPGPXEY-UHFFFAOYSA-N 1 3 202.298 0.610 20 0 BCADHO COC(=O)CCCC[N@@H+](C)CCCN ZINC000600702911 344359855 /nfs/dbraw/zinc/35/98/55/344359855.db2.gz IVRNZOQVPGPXEY-UHFFFAOYSA-N 1 3 202.298 0.610 20 0 BCADHO COC(=O)CCCCN(C)CCC[NH3+] ZINC000600702911 344359859 /nfs/dbraw/zinc/35/98/59/344359859.db2.gz IVRNZOQVPGPXEY-UHFFFAOYSA-N 1 3 202.298 0.610 20 0 BCADHO COC(=O)CCCCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000600712355 344361579 /nfs/dbraw/zinc/36/15/79/344361579.db2.gz XFQAKVJPZHCPOU-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CCC[NH3+])CCN1C ZINC000132972347 344310273 /nfs/dbraw/zinc/31/02/73/344310273.db2.gz AITRGLNQLWBZBM-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C[C@@H]1CSCCN1 ZINC000584290955 344426163 /nfs/dbraw/zinc/42/61/63/344426163.db2.gz QWPXOWASVWKJQR-NXEZZACHSA-N 1 3 245.392 0.325 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236796933 344402947 /nfs/dbraw/zinc/40/29/47/344402947.db2.gz JFYKKCDNWGJCPF-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000236826560 344405753 /nfs/dbraw/zinc/40/57/53/344405753.db2.gz HFQKJMFNCBEQRD-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)CCC[NH3+] ZINC000236825415 344406512 /nfs/dbraw/zinc/40/65/12/344406512.db2.gz DUTULJCKJDZMPU-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000158869267 344465671 /nfs/dbraw/zinc/46/56/71/344465671.db2.gz GGIAELCFSFAUDJ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CSC[C@@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000127447290 344477183 /nfs/dbraw/zinc/47/71/83/344477183.db2.gz MUWNALJMKOMTBH-MNOVXSKESA-N 1 3 232.393 0.784 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000570840801 323072350 /nfs/dbraw/zinc/07/23/50/323072350.db2.gz IQAKMCPLHGMOEH-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CSCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282229 344517593 /nfs/dbraw/zinc/51/75/93/344517593.db2.gz LDCKZDHVCCAMBL-AOOOYVTPSA-N 1 3 200.351 0.891 20 0 BCADHO CSCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000085282231 344517642 /nfs/dbraw/zinc/51/76/42/344517642.db2.gz LDCKZDHVCCAMBL-UWVGGRQHSA-N 1 3 200.351 0.891 20 0 BCADHO [NH3+]C1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000382004748 347054327 /nfs/dbraw/zinc/05/43/27/347054327.db2.gz KQWWNQDAPZDNLY-CMPLNLGQSA-N 1 3 212.337 0.961 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)C1CCN(C)CC1 ZINC000044793729 344547934 /nfs/dbraw/zinc/54/79/34/344547934.db2.gz NXAIRWKZSNGWOJ-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO O=C([C@@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000037812574 344590929 /nfs/dbraw/zinc/59/09/29/344590929.db2.gz ZOSYSAXPUPXVDY-MNOVXSKESA-N 1 3 223.320 0.045 20 0 BCADHO O=C([C@@H]1CCCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000037812577 344591027 /nfs/dbraw/zinc/59/10/27/344591027.db2.gz RTISIMNQMCYPQL-NEPJUHHUSA-N 1 3 237.347 0.435 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000139799738 344716638 /nfs/dbraw/zinc/71/66/38/344716638.db2.gz KLWLCFKLQPMCHP-ONGXEEELSA-N 1 3 227.352 0.476 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)CCSC ZINC000309468790 347070547 /nfs/dbraw/zinc/07/05/47/347070547.db2.gz QNJZSCIQXJTOCL-VIFPVBQESA-N 1 3 233.381 0.183 20 0 BCADHO CNC(=O)CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000075860295 344786078 /nfs/dbraw/zinc/78/60/78/344786078.db2.gz QUWHKOPMHCEQGD-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000075860295 344786081 /nfs/dbraw/zinc/78/60/81/344786081.db2.gz QUWHKOPMHCEQGD-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000562981448 323077884 /nfs/dbraw/zinc/07/78/84/323077884.db2.gz LYIFCZNSGCMAIH-VWYCJHECSA-N 1 3 227.352 0.380 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000582127379 344898107 /nfs/dbraw/zinc/89/81/07/344898107.db2.gz SZSFOLLGMNJICO-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000582127379 344898108 /nfs/dbraw/zinc/89/81/08/344898108.db2.gz SZSFOLLGMNJICO-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO CN(C[C@@H](O)C[NH2+]C1CCN(C)CC1)C1CC1 ZINC000310430733 259382524 /nfs/dbraw/zinc/38/25/24/259382524.db2.gz SPVPHGLQGPEFSJ-ZDUSSCGKSA-N 1 3 241.379 0.125 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000155695438 345096814 /nfs/dbraw/zinc/09/68/14/345096814.db2.gz PVXFZGHFFQRGIC-UMNHJUIQSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000155695438 345096815 /nfs/dbraw/zinc/09/68/15/345096815.db2.gz PVXFZGHFFQRGIC-UMNHJUIQSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@](C)(CCO)[NH2+]CC12CC(C1)CN2 ZINC000634993523 345190664 /nfs/dbraw/zinc/19/06/64/345190664.db2.gz XFJKOGXZFZMJTE-MOENNCHZSA-N 1 3 212.337 0.879 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@H](OC)C1(C)C ZINC000310483930 259383108 /nfs/dbraw/zinc/38/31/08/259383108.db2.gz DNZRNGMKVKKVCT-UTUOFQBUSA-N 1 3 244.379 0.702 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@H](OC)C1(C)C ZINC000310483930 259383110 /nfs/dbraw/zinc/38/31/10/259383110.db2.gz DNZRNGMKVKKVCT-UTUOFQBUSA-N 1 3 244.379 0.702 20 0 BCADHO CN(C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635068526 345237422 /nfs/dbraw/zinc/23/74/22/345237422.db2.gz JSWJBPLMNXSAHP-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO CN(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635068526 345237425 /nfs/dbraw/zinc/23/74/25/345237425.db2.gz JSWJBPLMNXSAHP-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO C[NH+](C)CCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635071171 345239153 /nfs/dbraw/zinc/23/91/53/345239153.db2.gz ZIGZORWUOFDCIU-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH+](C)CCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635071172 345239499 /nfs/dbraw/zinc/23/94/99/345239499.db2.gz ZIGZORWUOFDCIU-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CCN1C ZINC000565042188 345193960 /nfs/dbraw/zinc/19/39/60/345193960.db2.gz XTJUMPKPOBKWKL-NOHGZBONSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000634998787 345199506 /nfs/dbraw/zinc/19/95/06/345199506.db2.gz LCBVMCIILISRRL-GRYCIOLGSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000634998787 345199510 /nfs/dbraw/zinc/19/95/10/345199510.db2.gz LCBVMCIILISRRL-GRYCIOLGSA-N 1 3 212.337 0.940 20 0 BCADHO CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000635004247 345207749 /nfs/dbraw/zinc/20/77/49/345207749.db2.gz NUMMRYONIFJZEE-FDYHWXHSSA-N 1 3 244.379 0.879 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN1CC ZINC000449078815 201803080 /nfs/dbraw/zinc/80/30/80/201803080.db2.gz YTYOOZCJEMZDLV-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](CC(N)=O)NCc1cccc2c1CC[NH2+]C2 ZINC000635010502 345212754 /nfs/dbraw/zinc/21/27/54/345212754.db2.gz MSMAMCPWNVVGGA-SNVBAGLBSA-N 1 3 247.342 0.686 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012118 345214539 /nfs/dbraw/zinc/21/45/39/345214539.db2.gz QVQWLVFADUFIDY-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012121 345214737 /nfs/dbraw/zinc/21/47/37/345214737.db2.gz QVQWLVFADUFIDY-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO C[N@@H+]1CC[C@@H](CC(=O)NCCN2CCCC2)C1 ZINC000635134215 345255275 /nfs/dbraw/zinc/25/52/75/345255275.db2.gz CFMOVPFYLKYZOI-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO C[N@H+]1CC[C@@H](CC(=O)NCCN2CCCC2)C1 ZINC000635134215 345255279 /nfs/dbraw/zinc/25/52/79/345255279.db2.gz CFMOVPFYLKYZOI-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO C[N@@H+]1CC[C@H](CC(=O)NCCN2CCCC2)C1 ZINC000635134208 345255352 /nfs/dbraw/zinc/25/53/52/345255352.db2.gz CFMOVPFYLKYZOI-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO C[N@H+]1CC[C@H](CC(=O)NCCN2CCCC2)C1 ZINC000635134208 345255355 /nfs/dbraw/zinc/25/53/55/345255355.db2.gz CFMOVPFYLKYZOI-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO C[NH2+]C[C@H]1CCN(C[C@@H](C)COC)C1 ZINC000053034519 345338586 /nfs/dbraw/zinc/33/85/86/345338586.db2.gz UZTBHLPWMZOPCH-GHMZBOCLSA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000053034519 345338588 /nfs/dbraw/zinc/33/85/88/345338588.db2.gz UZTBHLPWMZOPCH-GHMZBOCLSA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000053034519 345338590 /nfs/dbraw/zinc/33/85/90/345338590.db2.gz UZTBHLPWMZOPCH-GHMZBOCLSA-N 1 3 200.326 0.810 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000158364409 345326792 /nfs/dbraw/zinc/32/67/92/345326792.db2.gz NFQDIYRTZKPSDR-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000635506580 345405838 /nfs/dbraw/zinc/40/58/38/345405838.db2.gz CRWNZKCJNRBOLB-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635506580 345405840 /nfs/dbraw/zinc/40/58/40/345405840.db2.gz CRWNZKCJNRBOLB-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)NC1CC1 ZINC000449120976 201815442 /nfs/dbraw/zinc/81/54/42/201815442.db2.gz GGVJLNZVUITRAU-WCBMZHEXSA-N 1 3 213.325 0.226 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000068891766 349930268 /nfs/dbraw/zinc/93/02/68/349930268.db2.gz AQKKJQGYFTXIMQ-PWSUYJOCSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068891766 349930271 /nfs/dbraw/zinc/93/02/71/349930271.db2.gz AQKKJQGYFTXIMQ-PWSUYJOCSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000068891766 349930274 /nfs/dbraw/zinc/93/02/74/349930274.db2.gz AQKKJQGYFTXIMQ-PWSUYJOCSA-N 1 3 228.336 0.068 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000567848387 323092640 /nfs/dbraw/zinc/09/26/40/323092640.db2.gz ACJFRTACTKVZNK-SCZZXKLOSA-N 1 3 213.325 0.357 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NCCN1CC[C@H](C)C1 ZINC000563209038 323102035 /nfs/dbraw/zinc/10/20/35/323102035.db2.gz LBOZZGDERLQWAJ-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](O)C[N@H+](C)CCCN1CCCC1 ZINC000051821955 346085649 /nfs/dbraw/zinc/08/56/49/346085649.db2.gz XWUXIIDLHNICHO-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO C[C@@H](O)C[N@@H+](C)CCCN1CCCC1 ZINC000051821955 346085652 /nfs/dbraw/zinc/08/56/52/346085652.db2.gz XWUXIIDLHNICHO-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CC[C@H](NC[C@@H](O)C[N@H+](C)CC)[C@@H]1CCCO1 ZINC000571058031 323106094 /nfs/dbraw/zinc/10/60/94/323106094.db2.gz KPGKRGGBUKXLOR-AGIUHOORSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@H](NC[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000571058031 323106095 /nfs/dbraw/zinc/10/60/95/323106095.db2.gz KPGKRGGBUKXLOR-AGIUHOORSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000449402235 201904174 /nfs/dbraw/zinc/90/41/74/201904174.db2.gz QEVXDAVEUSGCOX-QXEWZRGKSA-N 1 3 225.336 0.241 20 0 BCADHO CCN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000636028902 346164950 /nfs/dbraw/zinc/16/49/50/346164950.db2.gz GZJGMIFGCRCWCE-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636028902 346164953 /nfs/dbraw/zinc/16/49/53/346164953.db2.gz GZJGMIFGCRCWCE-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCOC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000069278660 349943939 /nfs/dbraw/zinc/94/39/39/349943939.db2.gz ZNSGGQOKJAVCRC-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000069278660 349943942 /nfs/dbraw/zinc/94/39/42/349943942.db2.gz ZNSGGQOKJAVCRC-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO [NH3+]CCCCC(=O)NCCN1CCCCC1 ZINC000069733916 349956390 /nfs/dbraw/zinc/95/63/90/349956390.db2.gz BEIFRYACAHUPJP-UHFFFAOYSA-N 1 3 227.352 0.718 20 0 BCADHO C[C@@H]1CC[N@H+](CCc2cncn2C)C[C@@H]1CN ZINC000641797958 362738406 /nfs/dbraw/zinc/73/84/06/362738406.db2.gz AXXRPFLJMCBUHV-NEPJUHHUSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@@H]1CC[N@@H+](CCc2cncn2C)C[C@@H]1CN ZINC000641797958 362738409 /nfs/dbraw/zinc/73/84/09/362738409.db2.gz AXXRPFLJMCBUHV-NEPJUHHUSA-N 1 3 236.363 0.879 20 0 BCADHO Cn1cncc1CCN[C@](C)(C[NH3+])C1CC1 ZINC000641797508 362742878 /nfs/dbraw/zinc/74/28/78/362742878.db2.gz DBMVXPCHKLMMCK-GFCCVEGCSA-N 1 3 222.336 0.680 20 0 BCADHO CN(C(=O)CN1CCC(CC[NH3+])CC1)C1CC1 ZINC000070188131 349965785 /nfs/dbraw/zinc/96/57/85/349965785.db2.gz JSZONNKRUSURAY-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161031345 346473507 /nfs/dbraw/zinc/47/35/07/346473507.db2.gz IZAWSQWZDAUOGW-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCCCN2)C1 ZINC000580076172 346513363 /nfs/dbraw/zinc/51/33/63/346513363.db2.gz VMIQDQLNCBEUDH-OUAUKWLOSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)CCCC[NH3+])C1 ZINC000577103639 365817917 /nfs/dbraw/zinc/81/79/17/365817917.db2.gz TUSAUHLYXDYVTD-LBPRGKRZSA-N 1 3 241.379 0.964 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOC1CCOCC1 ZINC000641801725 362756580 /nfs/dbraw/zinc/75/65/80/362756580.db2.gz UBCPUSCYFJOTHC-VXGBXAGGSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000641801725 362756585 /nfs/dbraw/zinc/75/65/85/362756585.db2.gz UBCPUSCYFJOTHC-VXGBXAGGSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H]1CN(CCN[C@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000641801570 362756857 /nfs/dbraw/zinc/75/68/57/362756857.db2.gz SQUCWGUHBXBUGO-WOPDTQHZSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@H]1CN(CC[NH2+][C@H]2C[C@H](N)C2(C)C)CCO1 ZINC000641801570 362756859 /nfs/dbraw/zinc/75/68/59/362756859.db2.gz SQUCWGUHBXBUGO-WOPDTQHZSA-N 1 3 241.379 0.423 20 0 BCADHO CCN(C)C(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000641802288 362758748 /nfs/dbraw/zinc/75/87/48/362758748.db2.gz ITXQZIRXHGXMOK-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOC[C@H]1CCCO1 ZINC000641802300 362760328 /nfs/dbraw/zinc/76/03/28/362760328.db2.gz IYIAIEVNFGOEAF-IJLUTSLNSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000641802300 362760333 /nfs/dbraw/zinc/76/03/33/362760333.db2.gz IYIAIEVNFGOEAF-IJLUTSLNSA-N 1 3 242.363 0.897 20 0 BCADHO Cn1ccc(CN[C@H]2C[C@H]([NH3+])C2(C)C)cc1=O ZINC000641807738 362766282 /nfs/dbraw/zinc/76/62/82/362766282.db2.gz RNFCDGHOUCZAJA-QWRGUYRKSA-N 1 3 235.331 0.601 20 0 BCADHO Cn1ccc(C[NH2+][C@H]2C[C@H](N)C2(C)C)cc1=O ZINC000641807738 362766288 /nfs/dbraw/zinc/76/62/88/362766288.db2.gz RNFCDGHOUCZAJA-QWRGUYRKSA-N 1 3 235.331 0.601 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186868921 346541442 /nfs/dbraw/zinc/54/14/42/346541442.db2.gz KOGRTRQZDRGLRK-GUBZILKMSA-N 1 3 245.392 0.181 20 0 BCADHO COC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)OC ZINC000300380120 346575308 /nfs/dbraw/zinc/57/53/08/346575308.db2.gz SZZBYTAVFYFIIW-MXWKQRLJSA-N 1 3 216.325 0.507 20 0 BCADHO CCN(CCNC(=O)CC[NH2+]C(C)C)C1CC1 ZINC000167205933 346701639 /nfs/dbraw/zinc/70/16/39/346701639.db2.gz RWOCRSSLYHIECL-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2COCCO2)CC1 ZINC000038060149 346712468 /nfs/dbraw/zinc/71/24/68/346712468.db2.gz CWESGVUUJBKMFG-GFCCVEGCSA-N 1 3 228.336 0.476 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2COCCO2)CC1 ZINC000038060150 346712576 /nfs/dbraw/zinc/71/25/76/346712576.db2.gz CWESGVUUJBKMFG-LBPRGKRZSA-N 1 3 228.336 0.476 20 0 BCADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000563629824 323132653 /nfs/dbraw/zinc/13/26/53/323132653.db2.gz HFIDQKMFGMKDSJ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000563629824 323132654 /nfs/dbraw/zinc/13/26/54/323132654.db2.gz HFIDQKMFGMKDSJ-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000037480420 346697384 /nfs/dbraw/zinc/69/73/84/346697384.db2.gz RGQMCIBQWPNPKL-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484943 346700079 /nfs/dbraw/zinc/70/00/79/346700079.db2.gz TWGJYSXRARKWDZ-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484943 346700081 /nfs/dbraw/zinc/70/00/81/346700081.db2.gz TWGJYSXRARKWDZ-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCN(CCNC(=O)[C@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000300421206 346745141 /nfs/dbraw/zinc/74/51/41/346745141.db2.gz IZGICFNSEFDINJ-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000577178661 365862007 /nfs/dbraw/zinc/86/20/07/365862007.db2.gz LYXCZQOKCDDFIN-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582062086 347159027 /nfs/dbraw/zinc/15/90/27/347159027.db2.gz QBFLQEJOPMNKNT-DJLDLDEBSA-N 1 3 249.305 0.603 20 0 BCADHO C[C@@H]1CN(CCc2cn[nH]c2)C[C@H]1C[NH3+] ZINC000641821675 362771953 /nfs/dbraw/zinc/77/19/53/362771953.db2.gz OIHQGSWQWJWLQJ-MWLCHTKSSA-N 1 3 208.309 0.479 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(SC)CC1 ZINC000601323472 347205640 /nfs/dbraw/zinc/20/56/40/347205640.db2.gz AQWBZISJWXBCRG-NSHDSACASA-N 1 3 232.393 0.784 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000019480114 347230251 /nfs/dbraw/zinc/23/02/51/347230251.db2.gz VCLGQFZCLYCOTD-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000019480114 347230256 /nfs/dbraw/zinc/23/02/56/347230256.db2.gz VCLGQFZCLYCOTD-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH+](CC)CCCNC(=O)CNC ZINC000019503486 347336691 /nfs/dbraw/zinc/33/66/91/347336691.db2.gz SRLRCDRAPCHRGK-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)CNC2CC2)C1 ZINC000571432006 323144640 /nfs/dbraw/zinc/14/46/40/323144640.db2.gz AHHOAZOIXUCMHU-VHSXEESVSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000577222089 365888194 /nfs/dbraw/zinc/88/81/94/365888194.db2.gz DRHOVVLZKQJHAN-KATARQTJSA-N 1 3 213.325 0.165 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000591442542 347662156 /nfs/dbraw/zinc/66/21/56/347662156.db2.gz QYKCTVBINHTXBO-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000591442542 347662158 /nfs/dbraw/zinc/66/21/58/347662158.db2.gz QYKCTVBINHTXBO-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000082475065 347615041 /nfs/dbraw/zinc/61/50/41/347615041.db2.gz WUUSZLBILMRJOJ-NXEZZACHSA-N 1 3 227.352 0.522 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000592331194 347767715 /nfs/dbraw/zinc/76/77/15/347767715.db2.gz OCVKUIHKWWJLQG-AEJSXWLSSA-N 1 3 245.392 0.453 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592329318 347767844 /nfs/dbraw/zinc/76/78/44/347767844.db2.gz XEEJFTXPTAVAGV-NXEZZACHSA-N 1 3 245.392 0.325 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368379456 187384623 /nfs/dbraw/zinc/38/46/23/187384623.db2.gz UWVMWLFEJBTTAA-IVZWLZJFSA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000037914232 347998289 /nfs/dbraw/zinc/99/82/89/347998289.db2.gz PYVNCVDONZFRNC-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO CC[C@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000037914232 347998291 /nfs/dbraw/zinc/99/82/91/347998291.db2.gz PYVNCVDONZFRNC-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO CCOC(=O)CCN(CCC[NH3+])C(C)C ZINC000594583389 348076852 /nfs/dbraw/zinc/07/68/52/348076852.db2.gz KTNUVRZKSVLDDL-UHFFFAOYSA-N 1 3 216.325 0.999 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(OC)CC1 ZINC000563816355 323179080 /nfs/dbraw/zinc/17/90/80/323179080.db2.gz LKCDJCXCJGHVTN-NSHDSACASA-N 1 3 216.325 0.068 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H](C)C2C[NH2+]C2)C1 ZINC000253181044 348347584 /nfs/dbraw/zinc/34/75/84/348347584.db2.gz UEPRILLIBJGIPC-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)CS1 ZINC000397738544 362903296 /nfs/dbraw/zinc/90/32/96/362903296.db2.gz URWDUYDPYKKZPN-IJLUTSLNSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)CS1 ZINC000397738547 362904037 /nfs/dbraw/zinc/90/40/37/362904037.db2.gz URWDUYDPYKKZPN-UTUOFQBUSA-N 1 3 244.404 0.927 20 0 BCADHO CSCC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000595940590 348409509 /nfs/dbraw/zinc/40/95/09/348409509.db2.gz HMGIBJDDBNTKDK-VIFPVBQESA-N 1 3 245.392 0.455 20 0 BCADHO COCC[C@@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513897 362939914 /nfs/dbraw/zinc/93/99/14/362939914.db2.gz QYEDQRUGOSRFEM-NEPJUHHUSA-N 1 3 244.379 0.846 20 0 BCADHO COCC[C@@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513897 362939920 /nfs/dbraw/zinc/93/99/20/362939920.db2.gz QYEDQRUGOSRFEM-NEPJUHHUSA-N 1 3 244.379 0.846 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCCCNC2=O)C1 ZINC000250865008 349180565 /nfs/dbraw/zinc/18/05/65/349180565.db2.gz RCJXWLXIKOHQNH-VWYCJHECSA-N 1 3 225.336 0.515 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623516482 362941607 /nfs/dbraw/zinc/94/16/07/362941607.db2.gz UIQLYVGJWHSUIL-WDEREUQCSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623516482 362941610 /nfs/dbraw/zinc/94/16/10/362941610.db2.gz UIQLYVGJWHSUIL-WDEREUQCSA-N 1 3 230.352 0.456 20 0 BCADHO C([C@@H]1CCCOC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000251081676 538034961 /nfs/dbraw/zinc/03/49/61/538034961.db2.gz HDJHWINSFNOYIX-SRVKXCTJSA-N 1 3 210.321 0.564 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000333846349 538035504 /nfs/dbraw/zinc/03/55/04/538035504.db2.gz PELPJWOEVWWNQH-VWYCJHECSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000252614751 349206700 /nfs/dbraw/zinc/20/67/00/349206700.db2.gz YKLFXWJVHLNYSK-NHCYSSNCSA-N 1 3 237.347 0.337 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000308988038 349267027 /nfs/dbraw/zinc/26/70/27/349267027.db2.gz KGNDKIJVEXSDGS-HLTSFMKQSA-N 1 3 201.314 0.213 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CC(F)F ZINC000309038867 349371407 /nfs/dbraw/zinc/37/14/07/349371407.db2.gz IIZOGWZIXZEMKW-ZETCQYMHSA-N 1 3 223.267 0.037 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)CN(CC)CC ZINC000449611385 201984774 /nfs/dbraw/zinc/98/47/74/201984774.db2.gz VLCUQDCAAVMMBS-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO [NH3+]CCc1ccccc1C(=O)N1CCCNCC1 ZINC000070541733 350018508 /nfs/dbraw/zinc/01/85/08/350018508.db2.gz UDWMDNJIOZVVFI-UHFFFAOYSA-N 1 3 247.342 0.623 20 0 BCADHO CN1CC[C@@H](N2CCC(CC[NH3+])CC2)C1=O ZINC000070583877 350032885 /nfs/dbraw/zinc/03/28/85/350032885.db2.gz AKOFKKQKHFEWCR-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000300898430 349419132 /nfs/dbraw/zinc/41/91/32/349419132.db2.gz QPBUXUQZJBPZEJ-GMTAPVOTSA-N 1 3 216.325 0.243 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@@H]1CCSC1)C1CC1 ZINC000309119802 350035908 /nfs/dbraw/zinc/03/59/08/350035908.db2.gz SQOIFUXULRPRKE-MWLCHTKSSA-N 1 3 230.377 0.537 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@@H]1CCSC1)C1CC1 ZINC000309119802 350035911 /nfs/dbraw/zinc/03/59/11/350035911.db2.gz SQOIFUXULRPRKE-MWLCHTKSSA-N 1 3 230.377 0.537 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000563099924 350057768 /nfs/dbraw/zinc/05/77/68/350057768.db2.gz DLWOVEKUAPFCHD-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CCC(=O)N(C)C)C1 ZINC000070800165 350059583 /nfs/dbraw/zinc/05/95/83/350059583.db2.gz QUXJSPVDUHJDDL-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO C[NH2+]CCC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000071184677 350090755 /nfs/dbraw/zinc/09/07/55/350090755.db2.gz MHRRLNXSFJTJAN-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO Cc1cnn(CCN2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000304447520 350153492 /nfs/dbraw/zinc/15/34/92/350153492.db2.gz WUOPUHLVBVQCNY-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133789274 191043076 /nfs/dbraw/zinc/04/30/76/191043076.db2.gz BHGXIKBYMBENEH-NWDGAFQWSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133789274 191043078 /nfs/dbraw/zinc/04/30/78/191043078.db2.gz BHGXIKBYMBENEH-NWDGAFQWSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000427565291 191081679 /nfs/dbraw/zinc/08/16/79/191081679.db2.gz NDTDFJYDKSSMBD-GRYCIOLGSA-N 1 3 241.379 0.687 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000427565294 191082239 /nfs/dbraw/zinc/08/22/39/191082239.db2.gz NDTDFJYDKSSMBD-QJPTWQEYSA-N 1 3 241.379 0.687 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000427565297 191082297 /nfs/dbraw/zinc/08/22/97/191082297.db2.gz NDTDFJYDKSSMBD-SRVKXCTJSA-N 1 3 241.379 0.687 20 0 BCADHO Cc1nccn1CCC[N@@H+](C)[C@H](C)CN ZINC000336741232 180237679 /nfs/dbraw/zinc/23/76/79/180237679.db2.gz MZTADAZVKPMMMN-SNVBAGLBSA-N 1 3 210.325 0.861 20 0 BCADHO Cc1nccn1CCC[N@H+](C)[C@H](C)CN ZINC000336741232 180237681 /nfs/dbraw/zinc/23/76/81/180237681.db2.gz MZTADAZVKPMMMN-SNVBAGLBSA-N 1 3 210.325 0.861 20 0 BCADHO Cc1nccn1CCCN(C)[C@H](C)C[NH3+] ZINC000336741232 180237683 /nfs/dbraw/zinc/23/76/83/180237683.db2.gz MZTADAZVKPMMMN-SNVBAGLBSA-N 1 3 210.325 0.861 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427614380 191084918 /nfs/dbraw/zinc/08/49/18/191084918.db2.gz WPUSACYJBKDKKA-FOGDFJRCSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000428207146 191092101 /nfs/dbraw/zinc/09/21/01/191092101.db2.gz UTVUPKFVPSRNTB-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)N)C[NH+]1CCCCC1 ZINC000038042249 350302771 /nfs/dbraw/zinc/30/27/71/350302771.db2.gz BPDNUWKNWMDMCA-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050457588 350342198 /nfs/dbraw/zinc/34/21/98/350342198.db2.gz CFMVAWLBYZYXSK-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050457588 350342201 /nfs/dbraw/zinc/34/22/01/350342201.db2.gz CFMVAWLBYZYXSK-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)CNC1CC1 ZINC000309366407 350354212 /nfs/dbraw/zinc/35/42/12/350354212.db2.gz BHUPTVIRUKNNGE-VIFPVBQESA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000309301875 323341073 /nfs/dbraw/zinc/34/10/73/323341073.db2.gz UGACKZJWHLSCOT-GUBZILKMSA-N 1 3 213.325 0.165 20 0 BCADHO CC1(C)CN(C(=O)NCC[NH2+]C2CC2)CCN1 ZINC000637340401 350465963 /nfs/dbraw/zinc/46/59/63/350465963.db2.gz QUHNDYIOXSTHTC-UHFFFAOYSA-N 1 3 240.351 0.132 20 0 BCADHO C[N@@H+]1CC[C@@H](N[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623542982 362961106 /nfs/dbraw/zinc/96/11/06/362961106.db2.gz ZFKRZOHUVZVMKH-MXWKQRLJSA-N 1 3 212.337 0.972 20 0 BCADHO C[N@H+]1CC[C@@H](N[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623542982 362961111 /nfs/dbraw/zinc/96/11/11/362961111.db2.gz ZFKRZOHUVZVMKH-MXWKQRLJSA-N 1 3 212.337 0.972 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000384803524 350540278 /nfs/dbraw/zinc/54/02/78/350540278.db2.gz WVEHLQFELMXDJD-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CC1(C)CCC[N@@H+]1CCN1CCNCC1 ZINC000063067302 350570203 /nfs/dbraw/zinc/57/02/03/350570203.db2.gz HINSTRCJSAKQJR-UHFFFAOYSA-N 1 3 211.353 0.766 20 0 BCADHO CC1(C)CCC[N@H+]1CCN1CCNCC1 ZINC000063067302 350570206 /nfs/dbraw/zinc/57/02/06/350570206.db2.gz HINSTRCJSAKQJR-UHFFFAOYSA-N 1 3 211.353 0.766 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407798 350831155 /nfs/dbraw/zinc/83/11/55/350831155.db2.gz WPGRRXZDIPPUFG-UTUOFQBUSA-N 1 3 226.364 0.887 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000380407798 350831156 /nfs/dbraw/zinc/83/11/56/350831156.db2.gz WPGRRXZDIPPUFG-UTUOFQBUSA-N 1 3 226.364 0.887 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571506 363001381 /nfs/dbraw/zinc/00/13/81/363001381.db2.gz YUQQBDGLKCFYBS-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571506 363001386 /nfs/dbraw/zinc/00/13/86/363001386.db2.gz YUQQBDGLKCFYBS-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H](N)CCC(C)C ZINC000637805478 351641221 /nfs/dbraw/zinc/64/12/21/351641221.db2.gz IJZJZYOEMBKTRD-SNVBAGLBSA-N 1 3 215.341 0.476 20 0 BCADHO CCN[C@H](C)C(=O)NCC1CC[NH2+]CC1 ZINC000637805829 351641962 /nfs/dbraw/zinc/64/19/62/351641962.db2.gz QXECWISGARHFKJ-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000637805930 351642122 /nfs/dbraw/zinc/64/21/22/351642122.db2.gz RIMAYDVQINWVDF-VIFPVBQESA-N 1 3 222.292 0.129 20 0 BCADHO CC[C@@H](C(=O)N1CCNC[C@H]1C)[NH+](C)C ZINC000637817749 351662219 /nfs/dbraw/zinc/66/22/19/351662219.db2.gz BSCWUPONFQOUHX-ZJUUUORDSA-N 1 3 213.325 0.147 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637820471 351660665 /nfs/dbraw/zinc/66/06/65/351660665.db2.gz OERKTNADVBWJLP-HBNTYKKESA-N 1 3 227.352 0.489 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000637799195 351628157 /nfs/dbraw/zinc/62/81/57/351628157.db2.gz RXXRZJSZUDGIRE-LLVKDONJSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](C(=O)NC(CC)(CC)C[NH3+])N(C)C ZINC000637841600 351697694 /nfs/dbraw/zinc/69/76/94/351697694.db2.gz UGOCVLSUNVRABW-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C[NH3+])CC(C)C)N(C)C ZINC000637842929 351701772 /nfs/dbraw/zinc/70/17/72/351701772.db2.gz BASQMLKKOUEIMN-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000637843846 351703232 /nfs/dbraw/zinc/70/32/32/351703232.db2.gz ZKJLHPNAKAFGJQ-DGCLKSJQSA-N 1 3 241.379 0.994 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000637821447 351666073 /nfs/dbraw/zinc/66/60/73/351666073.db2.gz BLQJIQLKKTWDIL-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827248 351675971 /nfs/dbraw/zinc/67/59/71/351675971.db2.gz OILSMQLDMDMKFD-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C)N(C)C ZINC000637862229 351722866 /nfs/dbraw/zinc/72/28/66/351722866.db2.gz MLYPXAVWILKPHF-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000577749894 366053614 /nfs/dbraw/zinc/05/36/14/366053614.db2.gz CDGYEJHOGAGKMM-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000637855853 351715069 /nfs/dbraw/zinc/71/50/69/351715069.db2.gz ZDLVQJSVXTZBOE-QWRGUYRKSA-N 1 3 227.352 0.603 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000626986977 363089190 /nfs/dbraw/zinc/08/91/90/363089190.db2.gz SVMCTMARFMMRSZ-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CCN1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638052106 351929396 /nfs/dbraw/zinc/92/93/96/351929396.db2.gz XCSPCNHMAFAVSP-NSHDSACASA-N 1 3 237.347 0.634 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)NCCN2CCCC2)C1 ZINC000638055271 351930206 /nfs/dbraw/zinc/93/02/06/351930206.db2.gz HISSMURMJNGDAB-LLVKDONJSA-N 1 3 223.320 0.246 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000638056938 351932683 /nfs/dbraw/zinc/93/26/83/351932683.db2.gz SEZXIWVWKALMEE-LLVKDONJSA-N 1 3 249.358 0.777 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(C)C1CCN(CC)CC1 ZINC000638060860 351934596 /nfs/dbraw/zinc/93/45/96/351934596.db2.gz SSTNSSTYUQBDFK-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CO[C@@]1(CN2CC[C@@H](C[NH+](C)C)C2)CCOC1 ZINC000638077084 351948910 /nfs/dbraw/zinc/94/89/10/351948910.db2.gz PDCCFHKLHOIDKJ-QWHCGFSZSA-N 1 3 242.363 0.675 20 0 BCADHO CO[C@]1(CN2CC[C@@H](C[NH+](C)C)C2)CCOC1 ZINC000638077085 351948963 /nfs/dbraw/zinc/94/89/63/351948963.db2.gz PDCCFHKLHOIDKJ-STQMWFEESA-N 1 3 242.363 0.675 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638076619 351949467 /nfs/dbraw/zinc/94/94/67/351949467.db2.gz ZQLGWTHJSWBWOZ-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000638076619 351949470 /nfs/dbraw/zinc/94/94/70/351949470.db2.gz ZQLGWTHJSWBWOZ-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO CN1CCC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638077839 351950648 /nfs/dbraw/zinc/95/06/48/351950648.db2.gz BHBRBMHFGPZHKT-QWRGUYRKSA-N 1 3 223.320 0.244 20 0 BCADHO C[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)N(C)C ZINC000638080823 351953518 /nfs/dbraw/zinc/95/35/18/351953518.db2.gz REACOOKYXCZGCQ-SCZZXKLOSA-N 1 3 211.309 0.100 20 0 BCADHO C[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)N(C)C ZINC000638080824 351953846 /nfs/dbraw/zinc/95/38/46/351953846.db2.gz REACOOKYXCZGCQ-WCBMZHEXSA-N 1 3 211.309 0.100 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000638081131 351954348 /nfs/dbraw/zinc/95/43/48/351954348.db2.gz VBTPMQBDDYFRQJ-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000638150058 352010943 /nfs/dbraw/zinc/01/09/43/352010943.db2.gz VHXQCAUXYQDIDD-TUAOUCFPSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000638150062 352010972 /nfs/dbraw/zinc/01/09/72/352010972.db2.gz VHXQCAUXYQDIDD-WOPDTQHZSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000638099159 351978510 /nfs/dbraw/zinc/97/85/10/351978510.db2.gz ACSAPZCAICMDAV-MWLCHTKSSA-N 1 3 237.347 0.633 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638097923 351978919 /nfs/dbraw/zinc/97/89/19/351978919.db2.gz XQMABIKMCLYDIK-NWDGAFQWSA-N 1 3 237.347 0.587 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCCN1CC ZINC000638099657 351979728 /nfs/dbraw/zinc/97/97/28/351979728.db2.gz CWSQONBTUPTTSR-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN(C)CCCOC ZINC000638121062 351995245 /nfs/dbraw/zinc/99/52/45/351995245.db2.gz DFJGOUWIZDLXQM-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000638121805 351995543 /nfs/dbraw/zinc/99/55/43/351995543.db2.gz HJVZTXXRUORSFD-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638127663 351999024 /nfs/dbraw/zinc/99/90/24/351999024.db2.gz XEVBAFJIMOLIGD-PWSUYJOCSA-N 1 3 237.347 0.492 20 0 BCADHO CCN[C@@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138573 352003977 /nfs/dbraw/zinc/00/39/77/352003977.db2.gz HUXUXCNNQQKIIQ-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000638176101 352042386 /nfs/dbraw/zinc/04/23/86/352042386.db2.gz CCIFVONQJMGKIT-SDDRHHMPSA-N 1 3 241.379 0.864 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000638199131 352062323 /nfs/dbraw/zinc/06/23/23/352062323.db2.gz PFBBRDKTFDDFMD-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638201370 352065634 /nfs/dbraw/zinc/06/56/34/352065634.db2.gz VQVNYHHWNZKBDX-KXUCPTDWSA-N 1 3 213.325 0.371 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638205172 352067230 /nfs/dbraw/zinc/06/72/30/352067230.db2.gz GRZJCIRJBKMZQL-AEJSXWLSSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H]1NCCN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@H]1C ZINC000638205968 352068487 /nfs/dbraw/zinc/06/84/87/352068487.db2.gz KDUFMKQFIZBLSZ-ATZCPNFKSA-N 1 3 223.320 0.243 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638208641 352070892 /nfs/dbraw/zinc/07/08/92/352070892.db2.gz VRXQINZWZYVTBG-WPRPVWTQSA-N 1 3 236.319 0.517 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000638208925 352071345 /nfs/dbraw/zinc/07/13/45/352071345.db2.gz WVXPZRXRUGVZBX-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH3+] ZINC000638153159 352017753 /nfs/dbraw/zinc/01/77/53/352017753.db2.gz CQVLSMAXZVCZIE-ZETCQYMHSA-N 1 3 210.281 0.114 20 0 BCADHO CN(CC(=O)NC[C@@H]([NH3+])C1CC1)CC(C)(C)C ZINC000638156342 352019744 /nfs/dbraw/zinc/01/97/44/352019744.db2.gz YUJGYZIQZBMZGU-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C)NC[C@@H]1C)N(C)C ZINC000638157975 352021387 /nfs/dbraw/zinc/02/13/87/352021387.db2.gz NMKACZUHXLBWTA-GARJFASQSA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C)NC[C@@H]1C)[NH+](C)C ZINC000638157975 352021390 /nfs/dbraw/zinc/02/13/90/352021390.db2.gz NMKACZUHXLBWTA-GARJFASQSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000638158396 352022125 /nfs/dbraw/zinc/02/21/25/352022125.db2.gz ZSXAVZPPJPECMH-UTUOFQBUSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)NC[C@@H]1C)[NH+](C)C ZINC000638157983 352022302 /nfs/dbraw/zinc/02/23/02/352022302.db2.gz NMKACZUHXLBWTA-OUAUKWLOSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000638158028 352025893 /nfs/dbraw/zinc/02/58/93/352025893.db2.gz NYHPJJBRTAPWEH-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO CCN[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000638163014 352027100 /nfs/dbraw/zinc/02/71/00/352027100.db2.gz XNELXPKCACOSCG-JTQLQIEISA-N 1 3 227.352 0.490 20 0 BCADHO N[C@H]1CCO[C@H]1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000638173686 352036770 /nfs/dbraw/zinc/03/67/70/352036770.db2.gz BVZXXUWJAYQNNY-WDEREUQCSA-N 1 3 235.287 0.200 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000638243266 352090836 /nfs/dbraw/zinc/09/08/36/352090836.db2.gz MQSRINSITNMOQH-VIFPVBQESA-N 1 3 238.335 0.894 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)N(C)C ZINC000638261117 352103564 /nfs/dbraw/zinc/10/35/64/352103564.db2.gz CIWMYRJUEBVZQU-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)N(C)C ZINC000638262567 352104809 /nfs/dbraw/zinc/10/48/09/352104809.db2.gz ORDGJKHHLCRMQM-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CNCC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000083961332 352106768 /nfs/dbraw/zinc/10/67/68/352106768.db2.gz OWFYCXZMIZOZGO-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CNCC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000083961332 352106772 /nfs/dbraw/zinc/10/67/72/352106772.db2.gz OWFYCXZMIZOZGO-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638271312 352109477 /nfs/dbraw/zinc/10/94/77/352109477.db2.gz VLVJQNYALNEAQP-BDAKNGLRSA-N 1 3 213.325 0.241 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000638277326 352112404 /nfs/dbraw/zinc/11/24/04/352112404.db2.gz TZNFBRWVGWAPRW-QWRGUYRKSA-N 1 3 241.379 0.912 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000638276861 352113818 /nfs/dbraw/zinc/11/38/18/352113818.db2.gz QDNKSIPUGPXSCW-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO O=C(CCC1C[NH2+]C1)N1CCN2CCC1CC2 ZINC000638278795 352115400 /nfs/dbraw/zinc/11/54/00/352115400.db2.gz GCROFLWWHXDSBR-UHFFFAOYSA-N 1 3 237.347 0.293 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638333426 352151641 /nfs/dbraw/zinc/15/16/41/352151641.db2.gz XDXPXXHPDVUABY-VXGBXAGGSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)N(C)C ZINC000638333357 352151825 /nfs/dbraw/zinc/15/18/25/352151825.db2.gz QDOBTPLMWOPHAQ-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000638358166 352170356 /nfs/dbraw/zinc/17/03/56/352170356.db2.gz TZEHVUXOTJJGAB-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000638364275 352177085 /nfs/dbraw/zinc/17/70/85/352177085.db2.gz FEVAOGPDMSDNAS-NXEZZACHSA-N 1 3 236.319 0.647 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000638369950 352180280 /nfs/dbraw/zinc/18/02/80/352180280.db2.gz JQQIXTDIBNUFDU-AXFHLTTASA-N 1 3 229.368 0.992 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370039 352180861 /nfs/dbraw/zinc/18/08/61/352180861.db2.gz WGDKODIYSLSNFG-WDEREUQCSA-N 1 3 239.363 0.775 20 0 BCADHO CCN1CC[C@H](C[NH2+]C[C@]2(OC)CCOC2)C1 ZINC000638381359 352193236 /nfs/dbraw/zinc/19/32/36/352193236.db2.gz KWPVDBAMIUAMSU-CHWSQXEVSA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC[C@]2(OC)CCOC2)C1 ZINC000638381359 352193240 /nfs/dbraw/zinc/19/32/40/352193240.db2.gz KWPVDBAMIUAMSU-CHWSQXEVSA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@H+]1CC[C@H](CNC[C@]2(OC)CCOC2)C1 ZINC000638381359 352193243 /nfs/dbraw/zinc/19/32/43/352193243.db2.gz KWPVDBAMIUAMSU-CHWSQXEVSA-N 1 3 242.363 0.723 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000219974148 363142583 /nfs/dbraw/zinc/14/25/83/363142583.db2.gz IFAQTJTUTXXUCU-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498172 352318504 /nfs/dbraw/zinc/31/85/04/352318504.db2.gz JZCVDBBAELLBSK-MRVPVSSYSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000638487628 352296257 /nfs/dbraw/zinc/29/62/57/352296257.db2.gz CEEJVKHXVDHLJP-DTWKUNHWSA-N 1 3 249.305 0.425 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638498726 352319974 /nfs/dbraw/zinc/31/99/74/352319974.db2.gz LXPWGQLLQSLWHF-AXFHLTTASA-N 1 3 239.363 0.761 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505299 352326727 /nfs/dbraw/zinc/32/67/27/352326727.db2.gz KQGYCCRISMJREY-LLVKDONJSA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H]1C[C@H](C)CCN1 ZINC000638516027 352342674 /nfs/dbraw/zinc/34/26/74/352342674.db2.gz KMAFYONUYPUITC-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H](CN)c1ccccc1 ZINC000638522647 352355991 /nfs/dbraw/zinc/35/59/91/352355991.db2.gz MCSNNUIAGRWEBA-GFCCVEGCSA-N 1 3 235.331 0.536 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H]1CNCCC1(F)F ZINC000638517551 352348050 /nfs/dbraw/zinc/34/80/50/352348050.db2.gz VSNLILXTOPKBMA-MRVPVSSYSA-N 1 3 235.278 0.038 20 0 BCADHO CCN(CC[NH3+])C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000638517802 352348951 /nfs/dbraw/zinc/34/89/51/352348951.db2.gz CQTTWQWMLDIPHN-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567466 352394726 /nfs/dbraw/zinc/39/47/26/352394726.db2.gz MMOVSVRZYJCIMG-UMNHJUIQSA-N 1 3 227.352 0.761 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000638572627 352401101 /nfs/dbraw/zinc/40/11/01/352401101.db2.gz ROBGVXCMKVSRPR-XVMARJQXSA-N 1 3 239.241 0.133 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000638572612 352401150 /nfs/dbraw/zinc/40/11/50/352401150.db2.gz RAUCCHIZMAUNTG-GJMOJQLCSA-N 1 3 235.278 0.226 20 0 BCADHO C[NH2+]CCOCCNC(=O)C1(N)CCCCC1 ZINC000638583847 352415161 /nfs/dbraw/zinc/41/51/61/352415161.db2.gz KFAYSMWSTNJKMO-UHFFFAOYSA-N 1 3 243.351 0.000 20 0 BCADHO CCN(CC)CC(=O)N(C)CCOCC[NH2+]C ZINC000638592893 352423010 /nfs/dbraw/zinc/42/30/10/352423010.db2.gz UTZPMRPIMATYHA-UHFFFAOYSA-N 1 3 245.367 0.023 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)C(N)C(F)(F)F)C[NH2+]1 ZINC000638642368 352484214 /nfs/dbraw/zinc/48/42/14/352484214.db2.gz IXOXKVPVUHTZMW-VQVTYTSYSA-N 1 3 239.241 0.133 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638653909 352496593 /nfs/dbraw/zinc/49/65/93/352496593.db2.gz IQTWELHZXCQJBK-NHCYSSNCSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)C2(N)CCCC2)C[NH2+]1 ZINC000638654217 352496684 /nfs/dbraw/zinc/49/66/84/352496684.db2.gz KRMJUIMOFGNTDM-ZJUUUORDSA-N 1 3 225.336 0.515 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638654521 352497499 /nfs/dbraw/zinc/49/74/99/352497499.db2.gz LSURCFHPPUJRCL-BBBLOLIVSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638667796 352510481 /nfs/dbraw/zinc/51/04/81/352510481.db2.gz DIPGYOVDUMZQBK-VIFPVBQESA-N 1 3 249.314 0.844 20 0 BCADHO CC(C)[C@H](C(=O)N(C)CCOCC[NH3+])N(C)C ZINC000638674955 352514640 /nfs/dbraw/zinc/51/46/40/352514640.db2.gz OAIFGXAAJUKFLW-LLVKDONJSA-N 1 3 245.367 0.006 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694725 187744726 /nfs/dbraw/zinc/74/47/26/187744726.db2.gz CUVAXKDREAVRBE-UDNWOFFPSA-N 1 3 227.352 0.746 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040503521 352597752 /nfs/dbraw/zinc/59/77/52/352597752.db2.gz JGHQCVJSGDIWEX-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC000638766806 352706744 /nfs/dbraw/zinc/70/67/44/352706744.db2.gz XIEILKSYFZOMQO-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(CC)CC ZINC000638767607 352708305 /nfs/dbraw/zinc/70/83/05/352708305.db2.gz HXBJKHSLPVJUSD-QJPTWQEYSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772979 352714038 /nfs/dbraw/zinc/71/40/38/352714038.db2.gz CVGAFOJMWSIXIF-LPEHRKFASA-N 1 3 213.325 0.226 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000638773694 352714194 /nfs/dbraw/zinc/71/41/94/352714194.db2.gz NLLQHPKDKMSHOV-VHSXEESVSA-N 1 3 237.347 0.515 20 0 BCADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)[C@H]1CC[NH2+]1 ZINC000334218416 352819432 /nfs/dbraw/zinc/81/94/32/352819432.db2.gz YEEJMIBQAHRYRO-ZYHUDNBSSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCN1 ZINC000334218416 352819434 /nfs/dbraw/zinc/81/94/34/352819434.db2.gz YEEJMIBQAHRYRO-ZYHUDNBSSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCN1 ZINC000334218416 352819438 /nfs/dbraw/zinc/81/94/38/352819438.db2.gz YEEJMIBQAHRYRO-ZYHUDNBSSA-N 1 3 237.347 0.481 20 0 BCADHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000638854887 353032258 /nfs/dbraw/zinc/03/22/58/353032258.db2.gz VQALDSLAJCAAIB-CHWSQXEVSA-N 1 3 249.358 0.587 20 0 BCADHO CNCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638858721 353035534 /nfs/dbraw/zinc/03/55/34/353035534.db2.gz CAQYLTRXTWORNH-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO N[C@@H](C(=O)N1CCCCC[C@H]([NH3+])C1)C1CCC1 ZINC000638816520 352997093 /nfs/dbraw/zinc/99/70/93/352997093.db2.gz NRRXDZUJWJNEIA-NWDGAFQWSA-N 1 3 239.363 0.844 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816839 352998073 /nfs/dbraw/zinc/99/80/73/352998073.db2.gz VSBJSJLKPQFHNF-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822325 353003450 /nfs/dbraw/zinc/00/34/50/353003450.db2.gz ISQNIKNUDMMQIV-MNOVXSKESA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638880461 353048187 /nfs/dbraw/zinc/04/81/87/353048187.db2.gz LSUYVDVFBDAWEQ-QWHCGFSZSA-N 1 3 249.358 0.800 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916905 353080624 /nfs/dbraw/zinc/08/06/24/353080624.db2.gz GYINGFXHRKYATG-GARJFASQSA-N 1 3 225.336 0.323 20 0 BCADHO O=C(N1C[C@@H]2C[C@H]1C[NH2+]2)C1(NC2CC2)CCC1 ZINC000638916915 353080731 /nfs/dbraw/zinc/08/07/31/353080731.db2.gz HRUNKCHVEBHZFT-QWRGUYRKSA-N 1 3 235.331 0.234 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc2c1CNC2 ZINC000638929793 353090417 /nfs/dbraw/zinc/09/04/17/353090417.db2.gz HTBJGPHDRDVXEE-MWLCHTKSSA-N 1 3 245.326 0.852 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000638933909 353096843 /nfs/dbraw/zinc/09/68/43/353096843.db2.gz DAOIVDIDEZSJAU-YFKTTZPYSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CCN(C)CC1 ZINC000638935108 353099867 /nfs/dbraw/zinc/09/98/67/353099867.db2.gz LWCGPBYSLIWAPR-KOLCDFICSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943117 353141354 /nfs/dbraw/zinc/14/13/54/353141354.db2.gz PGBGUWQEUQIKPR-SRVKXCTJSA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638941957 353134587 /nfs/dbraw/zinc/13/45/87/353134587.db2.gz AKJBODOBBSYJOR-KKOKHZNYSA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)N(C)C ZINC000638950641 353153751 /nfs/dbraw/zinc/15/37/51/353153751.db2.gz LEZKIUHTOIOCHL-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950782 353153793 /nfs/dbraw/zinc/15/37/93/353153793.db2.gz SPGIKNOAZRRORQ-XYPYZODXSA-N 1 3 227.352 0.618 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967202 353175163 /nfs/dbraw/zinc/17/51/63/353175163.db2.gz KBVNTXKVEQFNJU-DCAQKATOSA-N 1 3 239.363 0.618 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967983 353175814 /nfs/dbraw/zinc/17/58/14/353175814.db2.gz MXEFDNMQFLZWFD-CIUDSAMLSA-N 1 3 249.305 0.603 20 0 BCADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)N ZINC000037001286 188151895 /nfs/dbraw/zinc/15/18/95/188151895.db2.gz LXDJCPSHEJRFDS-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CN(CCCCCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336716229 188167405 /nfs/dbraw/zinc/16/74/05/188167405.db2.gz PWPDEVNNIXNTFH-ZDUSSCGKSA-N 1 3 244.379 0.536 20 0 BCADHO CN(CCCCCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336716229 188167406 /nfs/dbraw/zinc/16/74/06/188167406.db2.gz PWPDEVNNIXNTFH-ZDUSSCGKSA-N 1 3 244.379 0.536 20 0 BCADHO CC(C)[C@H](C(=O)NCCCC[NH3+])N(C)C ZINC000236719892 188149335 /nfs/dbraw/zinc/14/93/35/188149335.db2.gz NCDIPTMZANEZAU-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000121318253 324011033 /nfs/dbraw/zinc/01/10/33/324011033.db2.gz KZBUNNCWHGWCDJ-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000121318253 324011036 /nfs/dbraw/zinc/01/10/36/324011036.db2.gz KZBUNNCWHGWCDJ-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000070074112 353253383 /nfs/dbraw/zinc/25/33/83/353253383.db2.gz ANNRXCXAEXSQAJ-LBPRGKRZSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@H](O)CN(C)[C@@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183129 188185305 /nfs/dbraw/zinc/18/53/05/188185305.db2.gz NLKRIBFZIWECIU-FRRDWIJNSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@@H](O)CN(C)[C@@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183129 188185307 /nfs/dbraw/zinc/18/53/07/188185307.db2.gz NLKRIBFZIWECIU-FRRDWIJNSA-N 1 3 244.379 0.534 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639021904 353280069 /nfs/dbraw/zinc/28/00/69/353280069.db2.gz OIHVYZAFFDUIJS-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCN(C)C ZINC000122116842 324029724 /nfs/dbraw/zinc/02/97/24/324029724.db2.gz YSCZKPPXZQUTQB-RYUDHWBXSA-N 1 3 213.369 0.868 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000094460146 188222970 /nfs/dbraw/zinc/22/29/70/188222970.db2.gz BNWBCLOOZVWAIW-UTUOFQBUSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000094460146 188222972 /nfs/dbraw/zinc/22/29/72/188222972.db2.gz BNWBCLOOZVWAIW-UTUOFQBUSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031961 353301367 /nfs/dbraw/zinc/30/13/67/353301367.db2.gz JMQVVGKPGUMSQK-FIQHERPVSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000252857654 353312224 /nfs/dbraw/zinc/31/22/24/353312224.db2.gz LLOUMQKGFNBOFO-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CCCCC1 ZINC000165381049 353326316 /nfs/dbraw/zinc/32/63/16/353326316.db2.gz NAWJRUGVSFKBAI-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CO[C@@H](CNC[C@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049023 353339949 /nfs/dbraw/zinc/33/99/49/353339949.db2.gz GSMLYRXEBYMQCW-CHWSQXEVSA-N 1 3 244.379 0.704 20 0 BCADHO CO[C@@H](CNC[C@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049023 353339951 /nfs/dbraw/zinc/33/99/51/353339951.db2.gz GSMLYRXEBYMQCW-CHWSQXEVSA-N 1 3 244.379 0.704 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000336774349 353422259 /nfs/dbraw/zinc/42/22/59/353422259.db2.gz ZLGMDMHXMZIUNR-MRVPVSSYSA-N 1 3 201.314 0.357 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCN1)C1CC1 ZINC000165605017 353405756 /nfs/dbraw/zinc/40/57/56/353405756.db2.gz BSOWTVUKSDCEEQ-RYUDHWBXSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000572481627 324122334 /nfs/dbraw/zinc/12/23/34/324122334.db2.gz SLRIQLDIWYCSOC-UMNHJUIQSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000165687658 353453165 /nfs/dbraw/zinc/45/31/65/353453165.db2.gz CBQHFVYONRBHMQ-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000574986409 353514107 /nfs/dbraw/zinc/51/41/07/353514107.db2.gz ILVKXRTZEVNHHF-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368645532 188428002 /nfs/dbraw/zinc/42/80/02/188428002.db2.gz GJDRWVLPSGDTCH-UWVGGRQHSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000627096241 363253510 /nfs/dbraw/zinc/25/35/10/363253510.db2.gz SWIFHCUXDYBTIH-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCN1 ZINC000178408394 366122442 /nfs/dbraw/zinc/12/24/42/366122442.db2.gz LGTYHQVYMJTAJC-QWRGUYRKSA-N 1 3 225.336 0.244 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)[C@@H]1C ZINC000343432620 353884321 /nfs/dbraw/zinc/88/43/21/353884321.db2.gz HHEMNJKRJVMOOC-KXNHARMFSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000343437018 353886135 /nfs/dbraw/zinc/88/61/35/353886135.db2.gz MZCVDMQWJTUQIA-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO CCC[C@H](N)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343590472 353942072 /nfs/dbraw/zinc/94/20/72/353942072.db2.gz HXKVXYKNIBSACX-MCIGGMRASA-N 1 3 241.379 0.995 20 0 BCADHO CC(C)N(C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343822283 354014681 /nfs/dbraw/zinc/01/46/81/354014681.db2.gz VJUKRWQTKBHRNA-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230710428 363321342 /nfs/dbraw/zinc/32/13/42/363321342.db2.gz OPZWMEQGNHFKAG-JTQLQIEISA-N 1 3 215.341 0.524 20 0 BCADHO CCN(CC)CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449682016 202002653 /nfs/dbraw/zinc/00/26/53/202002653.db2.gz FPXPPSJRUHIBOJ-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449702301 202004583 /nfs/dbraw/zinc/00/45/83/202004583.db2.gz DMCSCSSNKXSNSM-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000449709633 202006770 /nfs/dbraw/zinc/00/67/70/202006770.db2.gz ZTEOBXXIYQOUNJ-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449727465 202009380 /nfs/dbraw/zinc/00/93/80/202009380.db2.gz PZDGABNLPMJJPH-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449746559 202018430 /nfs/dbraw/zinc/01/84/30/202018430.db2.gz GJUGJBBXCJMQNG-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334582481 354202055 /nfs/dbraw/zinc/20/20/55/354202055.db2.gz QQLTYFVSCKLUQN-HTQZYQBOSA-N 1 3 249.305 0.473 20 0 BCADHO C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000344700171 354336232 /nfs/dbraw/zinc/33/62/32/354336232.db2.gz JGRYBLYOZRDGTI-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO N[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000578011016 366177257 /nfs/dbraw/zinc/17/72/57/366177257.db2.gz LZQMALJYFFRFDD-ONGXEEELSA-N 1 3 225.336 0.230 20 0 BCADHO CN1CCC(C(=O)NC(C)(C)CC[NH3+])CC1 ZINC000578016017 366181584 /nfs/dbraw/zinc/18/15/84/366181584.db2.gz HUWSNMANMKQUDP-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000334659604 354456756 /nfs/dbraw/zinc/45/67/56/354456756.db2.gz AYNLVZRDFSMIDZ-LLVKDONJSA-N 1 3 237.347 0.565 20 0 BCADHO CNC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335930961 134010543 /nfs/dbraw/zinc/01/05/43/134010543.db2.gz HNPMHONDDUPECM-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000166024888 354793572 /nfs/dbraw/zinc/79/35/72/354793572.db2.gz XZJXJPHWHVAZMN-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000166024888 354793574 /nfs/dbraw/zinc/79/35/74/354793574.db2.gz XZJXJPHWHVAZMN-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N ZINC000166058918 354953352 /nfs/dbraw/zinc/95/33/52/354953352.db2.gz NQGWWFAHDKQRTL-KXNHARMFSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)N ZINC000166058918 354953353 /nfs/dbraw/zinc/95/33/53/354953353.db2.gz NQGWWFAHDKQRTL-KXNHARMFSA-N 1 3 241.379 0.816 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000335183216 355080965 /nfs/dbraw/zinc/08/09/65/355080965.db2.gz DFXIFKRMUGCTDY-GHMZBOCLSA-N 1 3 237.347 0.326 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCNCC1 ZINC000335185574 355083957 /nfs/dbraw/zinc/08/39/57/355083957.db2.gz BXYCOEDQMKZPBS-RYUDHWBXSA-N 1 3 239.363 0.442 20 0 BCADHO CC1(C)CN(C(=O)CC2(C[NH3+])CC2)CCN1 ZINC000335232181 355093140 /nfs/dbraw/zinc/09/31/40/355093140.db2.gz NOGASLDEELTEJA-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO COC(=O)[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000346830210 355128645 /nfs/dbraw/zinc/12/86/45/355128645.db2.gz KEFQTFQGADACJW-WDEREUQCSA-N 1 3 226.320 0.481 20 0 BCADHO CN(C)C[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346842133 355134216 /nfs/dbraw/zinc/13/42/16/355134216.db2.gz WPCZKKNERTWWAR-CYBMUJFWSA-N 1 3 241.379 0.248 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000335280268 355244202 /nfs/dbraw/zinc/24/42/02/355244202.db2.gz ILWSPIGOVGIVEP-WDEREUQCSA-N 1 3 223.320 0.077 20 0 BCADHO C[C@H](C[NH3+])NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000347685311 355269540 /nfs/dbraw/zinc/26/95/40/355269540.db2.gz LCBCJRUMEVTCLL-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000583498200 355331823 /nfs/dbraw/zinc/33/18/23/355331823.db2.gz CPKUCZUOCNJLGB-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000211760313 355359391 /nfs/dbraw/zinc/35/93/91/355359391.db2.gz JRUABEXCBREGFR-GHMZBOCLSA-N 1 3 227.352 0.380 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@H](C)[NH3+] ZINC000389597582 355360205 /nfs/dbraw/zinc/36/02/05/355360205.db2.gz QXBYCAYCLLWRFF-WCBMZHEXSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000335838796 355568265 /nfs/dbraw/zinc/56/82/65/355568265.db2.gz VWNYDFDCHJSHRW-UHFFFAOYSA-N 1 3 233.315 0.757 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399089191 355836986 /nfs/dbraw/zinc/83/69/86/355836986.db2.gz SNUUCNKEJQXFNK-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO NC(=O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000043493493 181216894 /nfs/dbraw/zinc/21/68/94/181216894.db2.gz ZQJQDOUXUFMOJC-JTQLQIEISA-N 1 3 225.336 0.183 20 0 BCADHO NC(=O)C1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000043493493 181216896 /nfs/dbraw/zinc/21/68/96/181216896.db2.gz ZQJQDOUXUFMOJC-JTQLQIEISA-N 1 3 225.336 0.183 20 0 BCADHO C[NH2+]CCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000428122904 191924197 /nfs/dbraw/zinc/92/41/97/191924197.db2.gz DBEQHMQBWZQDAE-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417846869 191937603 /nfs/dbraw/zinc/93/76/03/191937603.db2.gz UGALMNPSQHWPQC-TUAOUCFPSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000167194283 355968162 /nfs/dbraw/zinc/96/81/62/355968162.db2.gz IMZACFKZTYHTHS-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](N)C(C)C ZINC000167194283 355968164 /nfs/dbraw/zinc/96/81/64/355968164.db2.gz IMZACFKZTYHTHS-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCN(C2CCCC2)CC1 ZINC000052062738 491086623 /nfs/dbraw/zinc/08/66/23/491086623.db2.gz LMYZDICXSIUDHN-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000584350195 356062366 /nfs/dbraw/zinc/06/23/66/356062366.db2.gz WEYDSKWBQNQYFT-QWRGUYRKSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000418248940 192006644 /nfs/dbraw/zinc/00/66/44/192006644.db2.gz FTBLCTMRUJAJCQ-QWRGUYRKSA-N 1 3 244.383 0.609 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000418267340 192009847 /nfs/dbraw/zinc/00/98/47/192009847.db2.gz WJKGADGQYGOEEE-DCAQKATOSA-N 1 3 242.367 0.315 20 0 BCADHO C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])N(C)C ZINC000418266825 192010367 /nfs/dbraw/zinc/01/03/67/192010367.db2.gz VVCXIRBYHPFRMS-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO Cn1cc(CC[N@H+]2CC[C@]3(CCN(C)C3)C2)cn1 ZINC000335918414 356163601 /nfs/dbraw/zinc/16/36/01/356163601.db2.gz MFVCZWGZEJGHJL-AWEZNQCLSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cc(CC[N@@H+]2CC[C@]3(CCN(C)C3)C2)cn1 ZINC000335918414 356163608 /nfs/dbraw/zinc/16/36/08/356163608.db2.gz MFVCZWGZEJGHJL-AWEZNQCLSA-N 1 3 248.374 0.990 20 0 BCADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[NH3+])C1 ZINC000418307623 192021438 /nfs/dbraw/zinc/02/14/38/192021438.db2.gz DPWXDYSWTQVBDG-NSHDSACASA-N 1 3 242.367 0.459 20 0 BCADHO C[NH2+]CCCNC(=O)N(CCN(C)C)C(C)C ZINC000418289043 192015808 /nfs/dbraw/zinc/01/58/08/192015808.db2.gz XCZVTMWTFAITJU-UHFFFAOYSA-N 1 3 244.383 0.578 20 0 BCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC[NH3+])C1 ZINC000418293488 192018154 /nfs/dbraw/zinc/01/81/54/192018154.db2.gz FPKWYDIAPXHGQD-SNVBAGLBSA-N 1 3 228.340 0.069 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333150720 356263456 /nfs/dbraw/zinc/26/34/56/356263456.db2.gz FDVCOXPKTZBACC-WDEREUQCSA-N 1 3 239.363 0.633 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299638 192206221 /nfs/dbraw/zinc/20/62/21/192206221.db2.gz BDTDYRDENMTVOI-QJPTWQEYSA-N 1 3 240.347 0.999 20 0 BCADHO CCN(C)C(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420319543 192196218 /nfs/dbraw/zinc/19/62/18/192196218.db2.gz XQXGDNGVRAOGPR-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH2+]CCC1CCN([C@H](C)C(N)=O)CC1 ZINC000069730640 491089554 /nfs/dbraw/zinc/08/95/54/491089554.db2.gz BIARQOXOYNUHEH-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](CCNC(=O)C1CCN(C)CC1)[NH+](C)C ZINC000617754381 356313399 /nfs/dbraw/zinc/31/33/99/356313399.db2.gz VZVSBVHXNBALJD-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CCOC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420291929 192203329 /nfs/dbraw/zinc/20/33/29/192203329.db2.gz OPFFSRDJMUQDAM-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO CCOC(=O)[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000420353691 192216930 /nfs/dbraw/zinc/21/69/30/192216930.db2.gz BXBCEOHNKCRNGS-LLVKDONJSA-N 1 3 244.335 0.237 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000336359997 356347423 /nfs/dbraw/zinc/34/74/23/356347423.db2.gz WTQRADYMKDPXDG-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000336359997 356347424 /nfs/dbraw/zinc/34/74/24/356347424.db2.gz WTQRADYMKDPXDG-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420303973 192209495 /nfs/dbraw/zinc/20/94/95/192209495.db2.gz IDXRSKFLKVBMLJ-HBNTYKKESA-N 1 3 226.320 0.609 20 0 BCADHO CN(CCCN1CCOCC1)C1CC([NH3+])C1 ZINC000420322519 192226743 /nfs/dbraw/zinc/22/67/43/192226743.db2.gz AHBFLQWLMCZXCQ-UHFFFAOYSA-N 1 3 227.352 0.130 20 0 BCADHO COC(=O)CCCN[C@@](C)(C[NH3+])C(C)C ZINC000420327276 192229567 /nfs/dbraw/zinc/22/95/67/192229567.db2.gz YBSLVXLALKUNEV-NSHDSACASA-N 1 3 216.325 0.903 20 0 BCADHO CCN(CCOCC[NH3+])CCc1nccs1 ZINC000420365805 192223979 /nfs/dbraw/zinc/22/39/79/192223979.db2.gz SQZHWEYMDGHZPW-UHFFFAOYSA-N 1 3 243.376 0.983 20 0 BCADHO CN1CC[C@@H](NCC[NH3+])[C@H]1c1ccccc1 ZINC000420408701 192239610 /nfs/dbraw/zinc/23/96/10/192239610.db2.gz PSJHXUWBUSXPBR-CHWSQXEVSA-N 1 3 219.332 0.980 20 0 BCADHO CN1CC[C@@H]([NH2+]CCN)[C@H]1c1ccccc1 ZINC000420408701 192239613 /nfs/dbraw/zinc/23/96/13/192239613.db2.gz PSJHXUWBUSXPBR-CHWSQXEVSA-N 1 3 219.332 0.980 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410903 356483491 /nfs/dbraw/zinc/48/34/91/356483491.db2.gz KGDOZCRMSMHDNF-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000429492916 192288306 /nfs/dbraw/zinc/28/83/06/192288306.db2.gz PWZKAZQEIWAKEA-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000578132908 366295452 /nfs/dbraw/zinc/29/54/52/366295452.db2.gz FSASBSPULWJEGN-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)N2CCCNCC2)C[NH2+]1 ZINC000627205539 363501663 /nfs/dbraw/zinc/50/16/63/363501663.db2.gz BSGNVFAJODOUGV-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO Cn1cnc(CNCCCC[NH+](C)C)c1 ZINC000379894824 538461648 /nfs/dbraw/zinc/46/16/48/538461648.db2.gz BPEUTLGMOUHOPG-UHFFFAOYSA-N 1 3 210.325 0.852 20 0 BCADHO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCN2)C1 ZINC000632868648 356640941 /nfs/dbraw/zinc/64/09/41/356640941.db2.gz UAVZLVVSVOAYDL-CMPLNLGQSA-N 1 3 245.326 0.513 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757569 356663983 /nfs/dbraw/zinc/66/39/83/356663983.db2.gz HYAPWXNNPUAVNO-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO C[NH+]1CCC2(CCN([C@H]3CCNC3=O)C2)CC1 ZINC000639757697 356664022 /nfs/dbraw/zinc/66/40/22/356664022.db2.gz OONBLVLJOVJVGH-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO CC(C)[C@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761937 356680496 /nfs/dbraw/zinc/68/04/96/356680496.db2.gz IBGZQFRUPZSOOE-CHWSQXEVSA-N 1 3 244.379 0.392 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167776360 134154350 /nfs/dbraw/zinc/15/43/50/134154350.db2.gz BCEKZYUZCSYOOZ-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632880711 356665572 /nfs/dbraw/zinc/66/55/72/356665572.db2.gz ZAKMZEVQADUWKE-NXEZZACHSA-N 1 3 233.315 0.498 20 0 BCADHO CNC(=O)CC[N@H+](C)CC[C@H]1CCCN1C ZINC000179981275 366345751 /nfs/dbraw/zinc/34/57/51/366345751.db2.gz AUFUILOMOGWXBW-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CNC(=O)CC[N@@H+](C)CC[C@H]1CCCN1C ZINC000179981275 366345757 /nfs/dbraw/zinc/34/57/57/366345757.db2.gz AUFUILOMOGWXBW-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO COC(=O)C1(CN2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000450399702 202154657 /nfs/dbraw/zinc/15/46/57/202154657.db2.gz DNPAXAOWQWTHDT-NSHDSACASA-N 1 3 240.347 0.823 20 0 BCADHO C[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623335626 356721508 /nfs/dbraw/zinc/72/15/08/356721508.db2.gz WCSXWLPRYVEPJA-VHSXEESVSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623335626 356721510 /nfs/dbraw/zinc/72/15/10/356721510.db2.gz WCSXWLPRYVEPJA-VHSXEESVSA-N 1 3 200.326 0.830 20 0 BCADHO CC1(C)CN(C(=O)[C@@]2(F)CCNC2)CC[C@H]1[NH3+] ZINC000367187865 356745854 /nfs/dbraw/zinc/74/58/54/356745854.db2.gz SQZDSLYXRINYMA-BXKDBHETSA-N 1 3 243.326 0.274 20 0 BCADHO CC1(C)CN(C(=O)[C@]2(F)CCNC2)CC[C@H]1[NH3+] ZINC000367187868 356746162 /nfs/dbraw/zinc/74/61/62/356746162.db2.gz SQZDSLYXRINYMA-SKDRFNHKSA-N 1 3 243.326 0.274 20 0 BCADHO CCN1C[C@H](C)N(CCOCC[NH3+])C[C@H]1C ZINC000578193713 366379966 /nfs/dbraw/zinc/37/99/66/366379966.db2.gz KRWWQJQZISOVAA-NEPJUHHUSA-N 1 3 229.368 0.376 20 0 BCADHO CNC(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623378115 356900207 /nfs/dbraw/zinc/90/02/07/356900207.db2.gz TUZWWZITQNURJP-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CNC(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623378115 356900209 /nfs/dbraw/zinc/90/02/09/356900209.db2.gz TUZWWZITQNURJP-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)C(C)(C)N ZINC000389857981 357055667 /nfs/dbraw/zinc/05/56/67/357055667.db2.gz BVFBADOZULVQCL-UHFFFAOYSA-N 1 3 201.314 0.228 20 0 BCADHO CNC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000390419695 357092745 /nfs/dbraw/zinc/09/27/45/357092745.db2.gz JAEYPFWFROBRRP-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)C[C@@H](C)NCC[N@H+]1CC[C@@H](C)C1 ZINC000390419695 357092746 /nfs/dbraw/zinc/09/27/46/357092746.db2.gz JAEYPFWFROBRRP-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@H](C)C(C)(C)n1cncn1 ZINC000423256152 192655104 /nfs/dbraw/zinc/65/51/04/192655104.db2.gz BISHUBWNVGECCL-GHMZBOCLSA-N 1 3 239.367 0.847 20 0 BCADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CC[NH2+]1 ZINC000582415162 357140549 /nfs/dbraw/zinc/14/05/49/357140549.db2.gz CYSGAVPTUQULJH-LLVKDONJSA-N 1 3 247.298 0.469 20 0 BCADHO [NH3+]CCCCC(=O)N[C@H]1CNCCC1(F)F ZINC000582419819 357142952 /nfs/dbraw/zinc/14/29/52/357142952.db2.gz JCEUINROOYMGPY-QMMMGPOBSA-N 1 3 235.278 0.229 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000582421252 357144163 /nfs/dbraw/zinc/14/41/63/357144163.db2.gz LQWFHNXDXKGARC-YUMQZZPRSA-N 1 3 237.294 0.459 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000582425714 357145575 /nfs/dbraw/zinc/14/55/75/357145575.db2.gz KMUJICHECVJQGG-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000582425714 357145576 /nfs/dbraw/zinc/14/55/76/357145576.db2.gz KMUJICHECVJQGG-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CCCOC1 ZINC000582425714 357145581 /nfs/dbraw/zinc/14/55/81/357145581.db2.gz KMUJICHECVJQGG-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CCCN(C(=O)[C@H](C)NC)[C@@H]1CC[NH2+]C1 ZINC000582430903 357147546 /nfs/dbraw/zinc/14/75/46/357147546.db2.gz LDCQTWXXVZKNTI-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000583696428 357230936 /nfs/dbraw/zinc/23/09/36/357230936.db2.gz UUAYCROXSKJJNW-OUAUKWLOSA-N 1 3 229.368 0.815 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCCC[NH2+]C1CC1 ZINC000582667371 357358941 /nfs/dbraw/zinc/35/89/41/357358941.db2.gz MQBKMSDKKHAMNU-MRVPVSSYSA-N 1 3 235.278 0.227 20 0 BCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)NC ZINC000582856340 357421848 /nfs/dbraw/zinc/42/18/48/357421848.db2.gz NWXSNRFIODNJSM-QWRGUYRKSA-N 1 3 245.367 0.067 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000583024253 357452502 /nfs/dbraw/zinc/45/25/02/357452502.db2.gz ROBLEYROIKGUNM-MWLCHTKSSA-N 1 3 239.363 0.631 20 0 BCADHO C[NH2+]CC1CCN(CCCC(=O)OC)CC1 ZINC000063165782 357550839 /nfs/dbraw/zinc/55/08/39/357550839.db2.gz QUQRPSKWVWEIIR-UHFFFAOYSA-N 1 3 228.336 0.871 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188705808 357565913 /nfs/dbraw/zinc/56/59/13/357565913.db2.gz SRARWELIYOMNRE-JTQLQIEISA-N 1 3 247.342 0.762 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188727990 357565936 /nfs/dbraw/zinc/56/59/36/357565936.db2.gz ZKOCBNMMTUKKDH-GARJFASQSA-N 1 3 243.326 0.144 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188727990 357565937 /nfs/dbraw/zinc/56/59/37/357565937.db2.gz ZKOCBNMMTUKKDH-GARJFASQSA-N 1 3 243.326 0.144 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188746247 357566787 /nfs/dbraw/zinc/56/67/87/357566787.db2.gz ORMMMAANMZRZPD-WDEREUQCSA-N 1 3 243.326 0.144 20 0 BCADHO CCC[C@@H](C(=O)N1CCN[C@H](C)C1)[NH+](C)C ZINC000189004813 357600698 /nfs/dbraw/zinc/60/06/98/357600698.db2.gz WKGTXAWPENGWID-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C(C)(C)C)[NH+](C)C ZINC000040469077 357609528 /nfs/dbraw/zinc/60/95/28/357609528.db2.gz METUBBRXATXZKJ-RKDXNWHRSA-N 1 3 215.341 0.426 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000233426475 357723232 /nfs/dbraw/zinc/72/32/32/357723232.db2.gz HUIPHKONPGQQJK-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000233427459 357723368 /nfs/dbraw/zinc/72/33/68/357723368.db2.gz HUIPHKONPGQQJK-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000192105906 357823490 /nfs/dbraw/zinc/82/34/90/357823490.db2.gz WANAKIFZQQNHHY-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH+](C)CCOCCNC(=O)[C@H](N)C(C)(C)C ZINC000234228153 357787665 /nfs/dbraw/zinc/78/76/65/357787665.db2.gz UEOZQFUKFKGSHR-JTQLQIEISA-N 1 3 245.367 0.054 20 0 BCADHO C[NH+](C)CCOCCNC(=O)[C@@H](N)C(C)(C)C ZINC000234265772 357788298 /nfs/dbraw/zinc/78/82/98/357788298.db2.gz UEOZQFUKFKGSHR-SNVBAGLBSA-N 1 3 245.367 0.054 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000132937372 325254657 /nfs/dbraw/zinc/25/46/57/325254657.db2.gz DIDCVDIMUICVEU-NEPJUHHUSA-N 1 3 241.379 0.973 20 0 BCADHO Cn1cncc1CN1CCC[C@H](CC[NH3+])C1 ZINC000085170873 134224702 /nfs/dbraw/zinc/22/47/02/134224702.db2.gz ZFKXWZREBMTGPR-LLVKDONJSA-N 1 3 222.336 0.981 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@](C)(CO)C(C)C ZINC000398526117 357887384 /nfs/dbraw/zinc/88/73/84/357887384.db2.gz VPTSGEPKCSYDEL-NEPJUHHUSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@](C)(CO)C(C)C ZINC000398526117 357887387 /nfs/dbraw/zinc/88/73/87/357887387.db2.gz VPTSGEPKCSYDEL-NEPJUHHUSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@@](C)(CO)C(C)C ZINC000398526129 357887518 /nfs/dbraw/zinc/88/75/18/357887518.db2.gz VPTSGEPKCSYDEL-RYUDHWBXSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@@](C)(CO)C(C)C ZINC000398526129 357887520 /nfs/dbraw/zinc/88/75/20/357887520.db2.gz VPTSGEPKCSYDEL-RYUDHWBXSA-N 1 3 232.368 0.296 20 0 BCADHO N[C@@H](CC(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000584468545 357987120 /nfs/dbraw/zinc/98/71/20/357987120.db2.gz XAYCVELCCQXTSJ-ZDUSSCGKSA-N 1 3 247.342 0.945 20 0 BCADHO C[NH2+]CCC1CCN([C@@H]2CCNC2=O)CC1 ZINC000584530018 358042015 /nfs/dbraw/zinc/04/20/15/358042015.db2.gz IYOBHGWUMAVXBM-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000584537397 358048409 /nfs/dbraw/zinc/04/84/09/358048409.db2.gz CXPGLCHGYVRDFQ-MNOVXSKESA-N 1 3 227.352 0.665 20 0 BCADHO O=C(CNC1CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000583866489 358055264 /nfs/dbraw/zinc/05/52/64/358055264.db2.gz NFCNBRRJJQDPPT-JTQLQIEISA-N 1 3 225.336 0.387 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)CNC2CC2)C1 ZINC000037484152 358073140 /nfs/dbraw/zinc/07/31/40/358073140.db2.gz OEAOTKUABHNFFP-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)CNC2CC2)C1 ZINC000037484152 358073144 /nfs/dbraw/zinc/07/31/44/358073144.db2.gz OEAOTKUABHNFFP-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583871178 358068307 /nfs/dbraw/zinc/06/83/07/358068307.db2.gz QBZJOVQJNNAWJN-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000584589492 358102873 /nfs/dbraw/zinc/10/28/73/358102873.db2.gz UKRLCJUZGORLMH-LLVKDONJSA-N 1 3 227.352 0.428 20 0 BCADHO CCN1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000038098308 358107498 /nfs/dbraw/zinc/10/74/98/358107498.db2.gz QDNPFHNBAXIJIX-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)NCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000584666225 358120840 /nfs/dbraw/zinc/12/08/40/358120840.db2.gz NODWQUUPGWXCNH-UHFFFAOYSA-N 1 3 227.352 0.490 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000086068374 358208510 /nfs/dbraw/zinc/20/85/10/358208510.db2.gz UVGQOIGIFNNDDD-QWRGUYRKSA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(CCCOC)C1 ZINC000040601615 358243167 /nfs/dbraw/zinc/24/31/67/358243167.db2.gz QSLHTWOJBKYTIH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCCC[NH3+] ZINC000040832449 358246662 /nfs/dbraw/zinc/24/66/62/358246662.db2.gz CVJMIOVYKATKPJ-VIFPVBQESA-N 1 3 201.314 0.215 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CCC[NH2+]1 ZINC000041680234 358333844 /nfs/dbraw/zinc/33/38/44/358333844.db2.gz COOCPRNXTVBMSO-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO NC1(C(=O)NCCC2(C[NH3+])CC2)CCCC1 ZINC000653216059 491128309 /nfs/dbraw/zinc/12/83/09/491128309.db2.gz PRJOVJSVYQAHMP-UHFFFAOYSA-N 1 3 225.336 0.503 20 0 BCADHO CO[C@H]1CC[N@H+](CCCF)[C@@H](CN)C1 ZINC000226421131 358338973 /nfs/dbraw/zinc/33/89/73/358338973.db2.gz QOZAQORMZCDYCW-ZJUUUORDSA-N 1 3 204.289 0.784 20 0 BCADHO CO[C@H]1CC[N@@H+](CCCF)[C@@H](CN)C1 ZINC000226421131 358338975 /nfs/dbraw/zinc/33/89/75/358338975.db2.gz QOZAQORMZCDYCW-ZJUUUORDSA-N 1 3 204.289 0.784 20 0 BCADHO C[NH+]1CCC(CNC(=O)CNC2CC2)CC1 ZINC000044526678 358389441 /nfs/dbraw/zinc/38/94/41/358389441.db2.gz CQTDVPDFCLAEEB-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH+]1CCC(CNC(=O)[C@H](C)N)CC1 ZINC000044526700 358389862 /nfs/dbraw/zinc/38/98/62/358389862.db2.gz CJARJAWVLBUYDR-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC[NH+]1CCC(CNC(=O)C(C)(C)N)CC1 ZINC000044526750 358389910 /nfs/dbraw/zinc/38/99/10/358389910.db2.gz PTFBMMRONCKWRV-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000044538757 358390095 /nfs/dbraw/zinc/39/00/95/358390095.db2.gz BHEGQTSVIRLPLG-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000044539014 358391069 /nfs/dbraw/zinc/39/10/69/358391069.db2.gz VSGTXUYRTWDVAS-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCNC(=O)C2CC2)C1 ZINC000229357895 358402497 /nfs/dbraw/zinc/40/24/97/358402497.db2.gz CZAAUHZRNBKFRF-MNOVXSKESA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000131759581 358692735 /nfs/dbraw/zinc/69/27/35/358692735.db2.gz MDDLJZNTUSYXTG-RYUDHWBXSA-N 1 3 233.315 0.116 20 0 BCADHO [NH3+]C1CCC(NC(=O)[C@@]2(F)CCNC2)CC1 ZINC000131935667 358701729 /nfs/dbraw/zinc/70/17/29/358701729.db2.gz RTVNXHIZUOKOIN-NWGYLPEXSA-N 1 3 229.299 0.074 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000130183972 358738065 /nfs/dbraw/zinc/73/80/65/358738065.db2.gz FCHMZIVPZNAJNF-ZJUUUORDSA-N 1 3 243.376 0.031 20 0 BCADHO O[C@H](C[NH2+]C1CSC1)CN1CCCC1 ZINC000308530393 491136893 /nfs/dbraw/zinc/13/68/93/491136893.db2.gz ZMQBLQLWYXKGPS-SNVBAGLBSA-N 1 3 216.350 0.148 20 0 BCADHO C[C@@H]1CC[N@H+](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000516979940 358964898 /nfs/dbraw/zinc/96/48/98/358964898.db2.gz SPJMLRQVTLYJJT-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000516979940 358964901 /nfs/dbraw/zinc/96/49/01/358964901.db2.gz SPJMLRQVTLYJJT-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCn2ccnc2)C1 ZINC000086403538 358967744 /nfs/dbraw/zinc/96/77/44/358967744.db2.gz KNBMMQXWCDCQTK-GHMZBOCLSA-N 1 3 208.309 0.743 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930885 358921418 /nfs/dbraw/zinc/92/14/18/358921418.db2.gz RKMVJNPNUJUNJM-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380732 358932975 /nfs/dbraw/zinc/93/29/75/358932975.db2.gz SQLUEBVYZUPNIM-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252611331 359314805 /nfs/dbraw/zinc/31/48/05/359314805.db2.gz VLEHGQDIBFRTEJ-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](CCC)N(C)C ZINC000423473443 192785478 /nfs/dbraw/zinc/78/54/78/192785478.db2.gz YHRDTFUAIICSPL-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO C[NH2+]CC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000423760053 192830341 /nfs/dbraw/zinc/83/03/41/192830341.db2.gz MVXSDSNOBMNMHU-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000578444062 366569388 /nfs/dbraw/zinc/56/93/88/366569388.db2.gz KEBSYUXPBKEIFC-OUAUKWLOSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000578524619 366590249 /nfs/dbraw/zinc/59/02/49/366590249.db2.gz LWEIALYXRIFJDQ-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CCNC[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000578617012 366609068 /nfs/dbraw/zinc/60/90/68/366609068.db2.gz HYOOUIUCQDUYOS-UPJWGTAASA-N 1 3 225.380 0.916 20 0 BCADHO NC1(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000088131015 359938891 /nfs/dbraw/zinc/93/88/91/359938891.db2.gz NELRYFMFYDYWFP-LLVKDONJSA-N 1 3 237.347 0.565 20 0 BCADHO C[NH2+]CCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578746805 366637039 /nfs/dbraw/zinc/63/70/39/366637039.db2.gz WDDNXBBVTQJWRB-UHFFFAOYSA-N 1 3 233.315 0.880 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000578868056 366661778 /nfs/dbraw/zinc/66/17/78/366661778.db2.gz OBDSILKYCFJVMO-FRRDWIJNSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000578869828 366661834 /nfs/dbraw/zinc/66/18/34/366661834.db2.gz DRHOVVLZKQJHAN-XKNYDFJKSA-N 1 3 213.325 0.165 20 0 BCADHO CN1CCC[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)C1 ZINC000612872857 360149123 /nfs/dbraw/zinc/14/91/23/360149123.db2.gz WOLRWFKMHJOFGE-CMPLNLGQSA-N 1 3 240.351 0.132 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@@]2(O)CCOC2)CC1(C)C ZINC000623472948 360197133 /nfs/dbraw/zinc/19/71/33/360197133.db2.gz CGGIZKBNQPCTOX-YPMHNXCESA-N 1 3 242.363 0.600 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@@]2(O)CCOC2)CC1(C)C ZINC000623472948 360197134 /nfs/dbraw/zinc/19/71/34/360197134.db2.gz CGGIZKBNQPCTOX-YPMHNXCESA-N 1 3 242.363 0.600 20 0 BCADHO OC[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000631197068 360710156 /nfs/dbraw/zinc/71/01/56/360710156.db2.gz FDZIICJRLYUAJT-NDBYEHHHSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000631197068 360710162 /nfs/dbraw/zinc/71/01/62/360710162.db2.gz FDZIICJRLYUAJT-NDBYEHHHSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@H]1CN(CCN2CC[NH2+]CC2)C[C@H](C)S1 ZINC000069908574 361001117 /nfs/dbraw/zinc/00/11/17/361001117.db2.gz CUTNXIGYHLSIFC-RYUDHWBXSA-N 1 3 243.420 0.717 20 0 BCADHO [NH3+]CCCOCCNCc1cccc(O)c1 ZINC000629397879 361048053 /nfs/dbraw/zinc/04/80/53/361048053.db2.gz FTVQAKUPFQWVTH-UHFFFAOYSA-N 1 3 224.304 0.847 20 0 BCADHO Cc1n[nH]cc1CNCCOCCC[NH3+] ZINC000629398304 361048778 /nfs/dbraw/zinc/04/87/78/361048778.db2.gz AAUQJCFKDHSPJO-UHFFFAOYSA-N 1 3 212.297 0.173 20 0 BCADHO CCn1nncc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629513527 361110674 /nfs/dbraw/zinc/11/06/74/361110674.db2.gz YURXPAYTANULSZ-QJPTWQEYSA-N 1 3 249.362 0.776 20 0 BCADHO CCn1nncc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629513294 361111032 /nfs/dbraw/zinc/11/10/32/361111032.db2.gz YURXPAYTANULSZ-IJLUTSLNSA-N 1 3 249.362 0.776 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000361738908 181324777 /nfs/dbraw/zinc/32/47/77/181324777.db2.gz FYOFBDPWYAEAHR-TUAOUCFPSA-N 1 3 249.358 0.420 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000361738908 181324778 /nfs/dbraw/zinc/32/47/78/181324778.db2.gz FYOFBDPWYAEAHR-TUAOUCFPSA-N 1 3 249.358 0.420 20 0 BCADHO CN(C)Cc1cccc(C(=O)N(C)CC[NH3+])c1 ZINC000578988378 366687587 /nfs/dbraw/zinc/68/75/87/366687587.db2.gz HMKBYULLAHDVKC-UHFFFAOYSA-N 1 3 235.331 0.779 20 0 BCADHO CC[C@H](NCCOCC[NH2+]C)c1cnn(C)c1 ZINC000629529225 361138555 /nfs/dbraw/zinc/13/85/55/361138555.db2.gz VZZRWBYFNFQHON-LBPRGKRZSA-N 1 3 240.351 0.697 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000366634176 181324331 /nfs/dbraw/zinc/32/43/31/181324331.db2.gz UVPVZEMIKJSDPH-GHMZBOCLSA-N 1 3 237.347 0.468 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000629532746 361154197 /nfs/dbraw/zinc/15/41/97/361154197.db2.gz PKFGCALQFHNEOC-WOPDTQHZSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CN ZINC000629532746 361154201 /nfs/dbraw/zinc/15/42/01/361154201.db2.gz PKFGCALQFHNEOC-WOPDTQHZSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000629532673 361154592 /nfs/dbraw/zinc/15/45/92/361154592.db2.gz LOQLGFJSVPKXGX-UTUOFQBUSA-N 1 3 227.352 0.177 20 0 BCADHO CN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2CN)CC1=O ZINC000424382743 200927917 /nfs/dbraw/zinc/92/79/17/200927917.db2.gz SLGODUMFAFGHGQ-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO NC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC1 ZINC000368201743 181326191 /nfs/dbraw/zinc/32/61/91/181326191.db2.gz NDFDFXNKTMCYOM-IUCAKERBSA-N 1 3 229.299 0.074 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000579006074 366693913 /nfs/dbraw/zinc/69/39/13/366693913.db2.gz DQWSZGFKYSHHRH-DGCLKSJQSA-N 1 3 249.358 0.973 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCC1 ZINC000364158829 181326906 /nfs/dbraw/zinc/32/69/06/181326906.db2.gz FNAPFIWMJTYPQH-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363625 201011630 /nfs/dbraw/zinc/01/16/30/201011630.db2.gz ZNONNEOFXVWFCN-GMTAPVOTSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N(C)C ZINC000428631439 201030894 /nfs/dbraw/zinc/03/08/94/201030894.db2.gz QLMXRYHOVWKSOV-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCCC[NH3+] ZINC000579227118 366738256 /nfs/dbraw/zinc/73/82/56/366738256.db2.gz MTZCMGMUJCVCRZ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000622044452 370675342 /nfs/dbraw/zinc/67/53/42/370675342.db2.gz GAKOZCLFBHLHEN-SDDRHHMPSA-N 1 3 225.336 0.467 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000428728239 201037801 /nfs/dbraw/zinc/03/78/01/201037801.db2.gz KDMDZHYVYMECPY-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428950101 201051122 /nfs/dbraw/zinc/05/11/22/201051122.db2.gz DDVVLYLHULQPSB-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000428978117 201054406 /nfs/dbraw/zinc/05/44/06/201054406.db2.gz NLMLVSYQMKALSZ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CNC(=O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429033365 201062089 /nfs/dbraw/zinc/06/20/89/201062089.db2.gz FYANZCNTTOTSBL-GFCCVEGCSA-N 1 3 225.336 0.150 20 0 BCADHO CNC(=O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429033365 201062091 /nfs/dbraw/zinc/06/20/91/201062091.db2.gz FYANZCNTTOTSBL-GFCCVEGCSA-N 1 3 225.336 0.150 20 0 BCADHO CCCN(C)CC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000429098062 201066306 /nfs/dbraw/zinc/06/63/06/201066306.db2.gz JPNOUEIKMQSVIF-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C1=C(CNC[C@H]2CCC[NH2+]C2)COCC1 ZINC000379739470 361386618 /nfs/dbraw/zinc/38/66/18/361386618.db2.gz ZDYGONPWEVZLEK-NSHDSACASA-N 1 3 210.321 0.922 20 0 BCADHO C1=C(C[NH2+]C[C@H]2CCCNC2)COCC1 ZINC000379739470 361386623 /nfs/dbraw/zinc/38/66/23/361386623.db2.gz ZDYGONPWEVZLEK-NSHDSACASA-N 1 3 210.321 0.922 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N(C)C ZINC000429176654 201075301 /nfs/dbraw/zinc/07/53/01/201075301.db2.gz YPLNIDAUQULIJF-IJLUTSLNSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000429167779 201075964 /nfs/dbraw/zinc/07/59/64/201075964.db2.gz YQRPDQRAKPQQSN-SDDRHHMPSA-N 1 3 241.379 0.959 20 0 BCADHO CCCN(C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000429239278 201082470 /nfs/dbraw/zinc/08/24/70/201082470.db2.gz QARCOXUGWXDQCW-GFCCVEGCSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000429239280 201084024 /nfs/dbraw/zinc/08/40/24/201084024.db2.gz QARCOXUGWXDQCW-LBPRGKRZSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](NCCOCCC[NH3+])c1cnn(C)c1 ZINC000629539197 361404578 /nfs/dbraw/zinc/40/45/78/361404578.db2.gz OYZFHUGMFIPGJE-LBPRGKRZSA-N 1 3 240.351 0.826 20 0 BCADHO CCCN(C)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429408926 201106891 /nfs/dbraw/zinc/10/68/91/201106891.db2.gz XEGFCLBIKJLNAV-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CCCN(C)CC(=O)NC(CC)(CC)C[NH3+] ZINC000429360725 201104053 /nfs/dbraw/zinc/10/40/53/201104053.db2.gz BMUNKMZQGMDPIL-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535407 361409520 /nfs/dbraw/zinc/40/95/20/361409520.db2.gz CENWEXBLFQADPQ-NDBYEHHHSA-N 1 3 241.379 0.484 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535407 361409522 /nfs/dbraw/zinc/40/95/22/361409522.db2.gz CENWEXBLFQADPQ-NDBYEHHHSA-N 1 3 241.379 0.484 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629544723 361423240 /nfs/dbraw/zinc/42/32/40/361423240.db2.gz KMLIQQBINDZTAG-JHJVBQTASA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544723 361423243 /nfs/dbraw/zinc/42/32/43/361423243.db2.gz KMLIQQBINDZTAG-JHJVBQTASA-N 1 3 241.379 0.160 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629544734 361424239 /nfs/dbraw/zinc/42/42/39/361424239.db2.gz KMLIQQBINDZTAG-UPJWGTAASA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544734 361424241 /nfs/dbraw/zinc/42/42/41/361424241.db2.gz KMLIQQBINDZTAG-UPJWGTAASA-N 1 3 241.379 0.160 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629544736 361424809 /nfs/dbraw/zinc/42/48/09/361424809.db2.gz KMLIQQBINDZTAG-YNEHKIRRSA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544736 361424815 /nfs/dbraw/zinc/42/48/15/361424815.db2.gz KMLIQQBINDZTAG-YNEHKIRRSA-N 1 3 241.379 0.160 20 0 BCADHO CN(CCN[C@H]1CCC[C@@H]1C[NH3+])CC(F)F ZINC000629556121 361448925 /nfs/dbraw/zinc/44/89/25/361448925.db2.gz KCTPEOWOXPGCMQ-ZJUUUORDSA-N 1 3 235.322 0.900 20 0 BCADHO CN(CC[NH2+][C@H]1CCC[C@@H]1CN)CC(F)F ZINC000629556121 361448931 /nfs/dbraw/zinc/44/89/31/361448931.db2.gz KCTPEOWOXPGCMQ-ZJUUUORDSA-N 1 3 235.322 0.900 20 0 BCADHO C[C@H](F)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000629580154 361465347 /nfs/dbraw/zinc/46/53/47/361465347.db2.gz NNMHMDWPJXDHDB-QWRGUYRKSA-N 1 3 218.316 0.781 20 0 BCADHO CN(CCOCC[NH3+])CCO[C@@H]1CC1(F)F ZINC000629580688 361469178 /nfs/dbraw/zinc/46/91/78/361469178.db2.gz DNZBKXBICLPYTH-SECBINFHSA-N 1 3 238.278 0.318 20 0 BCADHO CCCCNC(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000430940646 201160220 /nfs/dbraw/zinc/16/02/20/201160220.db2.gz QELDXBAKVMEJLI-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000432510984 201162330 /nfs/dbraw/zinc/16/23/30/201162330.db2.gz BNSAPEQLJIOMHQ-QJPTWQEYSA-N 1 3 241.379 0.687 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C)C1)N(C)C ZINC000629612505 361499183 /nfs/dbraw/zinc/49/91/83/361499183.db2.gz DLXYAASQOFJODU-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000629612713 361499273 /nfs/dbraw/zinc/49/92/73/361499273.db2.gz GRZKPYDEDSMYBG-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C)CC1)N(C)C ZINC000629611665 361501629 /nfs/dbraw/zinc/50/16/29/361501629.db2.gz AAEPSISOJHPFIF-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)N1CCC([NH3+])CC1)N(C)C ZINC000629611528 361501798 /nfs/dbraw/zinc/50/17/98/361501798.db2.gz WGBLIUKLKWTFDG-SNVBAGLBSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000629612037 361502636 /nfs/dbraw/zinc/50/26/36/361502636.db2.gz PVSKETONHJXMPU-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000629614677 361503250 /nfs/dbraw/zinc/50/32/50/361503250.db2.gz MGLCJMQTEWBFTO-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000629614991 361503580 /nfs/dbraw/zinc/50/35/80/361503580.db2.gz RDBYUVBZJQMECD-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)N(C)C ZINC000629615588 361505792 /nfs/dbraw/zinc/50/57/92/361505792.db2.gz VVFHDGKHGNMOMG-JQWIXIFHSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)N(C)C ZINC000629613711 361507903 /nfs/dbraw/zinc/50/79/03/361507903.db2.gz SBUBXXXVNBRNHQ-OPRDCNLKSA-N 1 3 231.315 0.224 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000629613394 361508091 /nfs/dbraw/zinc/50/80/91/361508091.db2.gz OJXVBRHRYZJQDH-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000629614426 361509746 /nfs/dbraw/zinc/50/97/46/361509746.db2.gz JPNGBVUOYNPKPM-AXFHLTTASA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](CC)N(C)C ZINC000629614377 361509859 /nfs/dbraw/zinc/50/98/59/361509859.db2.gz ZVXJZCVXXHQYRU-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO C[NH2+]CCOCCN(C)Cc1ccn(C)c1 ZINC000629654296 361554279 /nfs/dbraw/zinc/55/42/79/361554279.db2.gz PFLYEDPSDOSFOS-UHFFFAOYSA-N 1 3 225.336 0.693 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153264269 201228945 /nfs/dbraw/zinc/22/89/45/201228945.db2.gz KQLNDRZXCIYYBS-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000153295636 201230419 /nfs/dbraw/zinc/23/04/19/201230419.db2.gz JJCJUQJASPOGIR-TUAOUCFPSA-N 1 3 241.379 0.781 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)[NH+](C)C ZINC000153295809 201230583 /nfs/dbraw/zinc/23/05/83/201230583.db2.gz JJCJUQJASPOGIR-UTUOFQBUSA-N 1 3 241.379 0.781 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154235010 201269148 /nfs/dbraw/zinc/26/91/48/201269148.db2.gz NSWYNXPHBZHRKT-MXWKQRLJSA-N 1 3 227.352 0.569 20 0 BCADHO C[NH2+]CCCN1CC[C@H](COCCOC)C1 ZINC000435879689 201291724 /nfs/dbraw/zinc/29/17/24/201291724.db2.gz DVMXEYRQOLZOCE-LBPRGKRZSA-N 1 3 230.352 0.581 20 0 BCADHO CNCCC[N@@H+]1CC[C@H](COCCOC)C1 ZINC000435879689 201291727 /nfs/dbraw/zinc/29/17/27/201291727.db2.gz DVMXEYRQOLZOCE-LBPRGKRZSA-N 1 3 230.352 0.581 20 0 BCADHO CNCCC[N@H+]1CC[C@H](COCCOC)C1 ZINC000435879689 201291729 /nfs/dbraw/zinc/29/17/29/201291729.db2.gz DVMXEYRQOLZOCE-LBPRGKRZSA-N 1 3 230.352 0.581 20 0 BCADHO CNCC(=O)Nc1ccc(C2=CC[NH2+]CC2)cn1 ZINC000629722458 361662372 /nfs/dbraw/zinc/66/23/72/361662372.db2.gz AVXBXTYNMUWYOK-UHFFFAOYSA-N 1 3 246.314 0.616 20 0 BCADHO C[NH2+]CCCN1CCN(C[C@H]2CCOC2)CC1 ZINC000435881774 201295824 /nfs/dbraw/zinc/29/58/24/201295824.db2.gz QDKOIAUJXITGEH-CYBMUJFWSA-N 1 3 241.379 0.250 20 0 BCADHO C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)N(C)C ZINC000436309629 201321271 /nfs/dbraw/zinc/32/12/71/201321271.db2.gz OVKOUAMEFLKLQT-NQBHXWOUSA-N 1 3 239.363 0.442 20 0 BCADHO NCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237953213 181349303 /nfs/dbraw/zinc/34/93/03/181349303.db2.gz VCCRKWLSRAEDPU-NSHDSACASA-N 1 3 225.336 0.280 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000627244729 363848419 /nfs/dbraw/zinc/84/84/19/363848419.db2.gz GTNOZCAPTZJRTJ-ZRUFSTJUSA-N 1 3 240.351 0.129 20 0 BCADHO CC(C)[C@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605013 364322829 /nfs/dbraw/zinc/32/28/29/364322829.db2.gz GGDXRABDYWEFIQ-KOLCDFICSA-N 1 3 223.324 0.686 20 0 BCADHO CC(C)[C@@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630605015 364323061 /nfs/dbraw/zinc/32/30/61/364323061.db2.gz GGDXRABDYWEFIQ-MWLCHTKSSA-N 1 3 223.324 0.686 20 0 BCADHO CC[C@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604505 364328904 /nfs/dbraw/zinc/32/89/04/364328904.db2.gz AQZRBWPOVWFXPU-IUCAKERBSA-N 1 3 209.297 0.440 20 0 BCADHO c1c(CNC2CCCC2)nnn1CC1C[NH2+]C1 ZINC000630614556 364345586 /nfs/dbraw/zinc/34/55/86/364345586.db2.gz WQGKAVMWTZFFML-UHFFFAOYSA-N 1 3 235.335 0.530 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)C)CC[N@@H+]1C ZINC000630714838 364489787 /nfs/dbraw/zinc/48/97/87/364489787.db2.gz AZVDJUYMUDXORG-SDDRHHMPSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)C)CC[N@H+]1C ZINC000630714838 364489794 /nfs/dbraw/zinc/48/97/94/364489794.db2.gz AZVDJUYMUDXORG-SDDRHHMPSA-N 1 3 241.379 0.783 20 0 BCADHO [NH3+]CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375999851 181368139 /nfs/dbraw/zinc/36/81/39/181368139.db2.gz ZYSCDJCVWSKCES-LBPRGKRZSA-N 1 3 233.315 0.338 20 0 BCADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC000615309116 364684395 /nfs/dbraw/zinc/68/43/95/364684395.db2.gz QJQISWSHBAUOTO-WOPDTQHZSA-N 1 3 239.363 0.632 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000573325820 364801269 /nfs/dbraw/zinc/80/12/69/364801269.db2.gz SZYVWNYPVLHXAI-IVZWLZJFSA-N 1 3 227.352 0.603 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(C)CC1 ZINC000568625551 364764766 /nfs/dbraw/zinc/76/47/66/364764766.db2.gz OWUVSYXHSCHLQT-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000568625550 364764925 /nfs/dbraw/zinc/76/49/25/364764925.db2.gz OWUVSYXHSCHLQT-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC1(C)OCC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000336898978 364853030 /nfs/dbraw/zinc/85/30/30/364853030.db2.gz QUPPAYBYRLBBGB-VXGBXAGGSA-N 1 3 242.363 0.600 20 0 BCADHO COC[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000573479231 364841013 /nfs/dbraw/zinc/84/10/13/364841013.db2.gz UTCFRUGCHXGKIO-IJLUTSLNSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000573479231 364841015 /nfs/dbraw/zinc/84/10/15/364841015.db2.gz UTCFRUGCHXGKIO-IJLUTSLNSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000573479233 364841163 /nfs/dbraw/zinc/84/11/63/364841163.db2.gz UTCFRUGCHXGKIO-QJPTWQEYSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000573479233 364841168 /nfs/dbraw/zinc/84/11/68/364841168.db2.gz UTCFRUGCHXGKIO-QJPTWQEYSA-N 1 3 230.352 0.456 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000573488000 364845624 /nfs/dbraw/zinc/84/56/24/364845624.db2.gz MCPMLMIFBOKFJX-NRPADANISA-N 1 3 201.314 0.356 20 0 BCADHO CC[C@H](C(N)=O)N1CCC(CC[NH3+])CC1 ZINC000069729973 541386251 /nfs/dbraw/zinc/38/62/51/541386251.db2.gz CXGMAUNCJMBQMB-SNVBAGLBSA-N 1 3 213.325 0.311 20 0 BCADHO C[C@H](CCS(C)(=O)=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573862040 364934048 /nfs/dbraw/zinc/93/40/48/364934048.db2.gz CAFJLQOAXKPNJN-GMTAPVOTSA-N 1 3 248.392 0.669 20 0 BCADHO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000573862040 364934053 /nfs/dbraw/zinc/93/40/53/364934053.db2.gz CAFJLQOAXKPNJN-GMTAPVOTSA-N 1 3 248.392 0.669 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NCCCC[NH3+] ZINC000027712416 181376626 /nfs/dbraw/zinc/37/66/26/181376626.db2.gz LSQFXKRYXUAOKN-LBPRGKRZSA-N 1 3 235.331 0.412 20 0 BCADHO CN[C@@H](C)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573934039 364950818 /nfs/dbraw/zinc/95/08/18/364950818.db2.gz MKZNOGVHUIUBEO-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO NC[C@@H](C(=O)NCCCC[NH3+])c1ccccc1 ZINC000061612675 181377793 /nfs/dbraw/zinc/37/77/93/181377793.db2.gz AZRVXRUJTXJJBL-GFCCVEGCSA-N 1 3 235.331 0.584 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000574210697 365010703 /nfs/dbraw/zinc/01/07/03/365010703.db2.gz XCFMMINSNNVBNR-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO NC1(C(=O)NC[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000237801091 541449563 /nfs/dbraw/zinc/44/95/63/541449563.db2.gz VOQULYACWDWXMP-LLVKDONJSA-N 1 3 239.363 0.906 20 0 BCADHO C[C@@H](N)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814159 365150783 /nfs/dbraw/zinc/15/07/83/365150783.db2.gz CBJPBOVODMKQRT-MNOVXSKESA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H](N)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000574814159 365150786 /nfs/dbraw/zinc/15/07/86/365150786.db2.gz CBJPBOVODMKQRT-MNOVXSKESA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183514 193040031 /nfs/dbraw/zinc/04/00/31/193040031.db2.gz NNLWTDPFCFBRDT-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCC[C@H]1C ZINC000444180228 193040049 /nfs/dbraw/zinc/04/00/49/193040049.db2.gz HDBWDEWVJIQZOX-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)N(C)C ZINC000444187708 193040922 /nfs/dbraw/zinc/04/09/22/193040922.db2.gz SMKRKEOIYDMDMR-FOGDFJRCSA-N 1 3 225.336 0.052 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444193456 193041026 /nfs/dbraw/zinc/04/10/26/193041026.db2.gz RELDJENSIIENGC-NQBHXWOUSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCC[C@@H](C)C1 ZINC000444191663 193041139 /nfs/dbraw/zinc/04/11/39/193041139.db2.gz XVFYDXGVKXAUFX-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444193457 193041307 /nfs/dbraw/zinc/04/13/07/193041307.db2.gz RELDJENSIIENGC-NTZNESFSSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260327 193042020 /nfs/dbraw/zinc/04/20/20/193042020.db2.gz RGTXBFISHCXAQJ-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CN1C1CC1 ZINC000444272485 193043196 /nfs/dbraw/zinc/04/31/96/193043196.db2.gz XKAHCUHZQKEFRT-FXPVBKGRSA-N 1 3 223.320 0.090 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000575916363 365412263 /nfs/dbraw/zinc/41/22/63/365412263.db2.gz DVJQYVFIIZLJGA-SRVKXCTJSA-N 1 3 241.379 0.641 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CCCC[NH3+])C1 ZINC000576110992 365491173 /nfs/dbraw/zinc/49/11/73/365491173.db2.gz GMBBQGMXLMPIPN-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000579709126 366986971 /nfs/dbraw/zinc/98/69/71/366986971.db2.gz WQZGUAMNRREDKW-WCBMZHEXSA-N 1 3 213.325 0.086 20 0 BCADHO CN[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000580962998 367219313 /nfs/dbraw/zinc/21/93/13/367219313.db2.gz MTAJDBDKZCTBTD-QMMMGPOBSA-N 1 3 201.314 0.099 20 0 BCADHO CC[C@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381110708 367352207 /nfs/dbraw/zinc/35/22/07/367352207.db2.gz ZXKGPFATTPSSTN-NWDGAFQWSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381110708 367352214 /nfs/dbraw/zinc/35/22/14/367352214.db2.gz ZXKGPFATTPSSTN-NWDGAFQWSA-N 1 3 230.352 0.192 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1ccncc1 ZINC000581187551 367287071 /nfs/dbraw/zinc/28/70/71/367287071.db2.gz CHHCULGWQUUZHK-JQWIXIFHSA-N 1 3 248.330 0.030 20 0 BCADHO CC(C)(N)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000380772618 367301109 /nfs/dbraw/zinc/30/11/09/367301109.db2.gz ZELLLPYNWJCNFL-GFCCVEGCSA-N 1 3 222.332 0.917 20 0 BCADHO COC[C@@H](C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000381462832 367410717 /nfs/dbraw/zinc/41/07/17/367410717.db2.gz LNTHESAQUHDZCG-NSHDSACASA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000381605798 367437779 /nfs/dbraw/zinc/43/77/79/367437779.db2.gz IKJYCTXVZFAWPR-KXUCPTDWSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H](CCNCCC(N)=O)[NH+]1CCCCC1 ZINC000581425485 367465148 /nfs/dbraw/zinc/46/51/48/367465148.db2.gz XXCNWKWEWBBWJM-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](CC[NH2+]CCC(N)=O)N1CCCCC1 ZINC000581425485 367465152 /nfs/dbraw/zinc/46/51/52/367465152.db2.gz XXCNWKWEWBBWJM-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO COC[C@](C)(O)CNC1CC[NH+](C(C)C)CC1 ZINC000382569205 367542389 /nfs/dbraw/zinc/54/23/89/367542389.db2.gz QAEOBKLILLAUQV-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000581488183 367519117 /nfs/dbraw/zinc/51/91/17/367519117.db2.gz SYGFDVMBQICIOZ-POYBYMJQSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@H](N(C)C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865948 367565066 /nfs/dbraw/zinc/56/50/66/367565066.db2.gz NYNSPOBPORGDDY-JQWIXIFHSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@H](N(C)C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)O ZINC000382865948 367565069 /nfs/dbraw/zinc/56/50/69/367565069.db2.gz NYNSPOBPORGDDY-JQWIXIFHSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC(C)(C)C[NH+](C)C ZINC000382962646 367573399 /nfs/dbraw/zinc/57/33/99/367573399.db2.gz PCBSJGXZBLKTEY-SNVBAGLBSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NCCN(C)C1CC1 ZINC000383203754 367606815 /nfs/dbraw/zinc/60/68/15/367606815.db2.gz XLWIDRNFXMRHMP-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000565714294 325946973 /nfs/dbraw/zinc/94/69/73/325946973.db2.gz ICHNIEPDBIGHRD-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000383302657 367611707 /nfs/dbraw/zinc/61/17/07/367611707.db2.gz HSQSWZAJXNQQNB-VHSXEESVSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000383302657 367611717 /nfs/dbraw/zinc/61/17/17/367611717.db2.gz HSQSWZAJXNQQNB-VHSXEESVSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CCN(C)C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000383644572 367645786 /nfs/dbraw/zinc/64/57/86/367645786.db2.gz CDKUAMJBUBDWQD-DGCLKSJQSA-N 1 3 243.395 0.371 20 0 BCADHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000384781567 367731097 /nfs/dbraw/zinc/73/10/97/367731097.db2.gz CEAOVYXCZMRNTM-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN1 ZINC000384832571 367738642 /nfs/dbraw/zinc/73/86/42/367738642.db2.gz LMRRWFBRNSNWKV-MXWKQRLJSA-N 1 3 223.320 0.091 20 0 BCADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCN1 ZINC000384832571 367738647 /nfs/dbraw/zinc/73/86/47/367738647.db2.gz LMRRWFBRNSNWKV-MXWKQRLJSA-N 1 3 223.320 0.091 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)[C@@H](C)O1 ZINC000384961212 367764994 /nfs/dbraw/zinc/76/49/94/367764994.db2.gz SEGPEPQCIZIWOF-IJLUTSLNSA-N 1 3 230.352 0.720 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000581727327 367792446 /nfs/dbraw/zinc/79/24/46/367792446.db2.gz ZSUTXHLMYDPZEL-LPEHRKFASA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000581727325 367792688 /nfs/dbraw/zinc/79/26/88/367792688.db2.gz ZSUTXHLMYDPZEL-IVZWLZJFSA-N 1 3 227.352 0.474 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000566203555 326012302 /nfs/dbraw/zinc/01/23/02/326012302.db2.gz MGLYDUHMNSNTNF-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000581883415 367874181 /nfs/dbraw/zinc/87/41/81/367874181.db2.gz FLQDJYCHFJCABG-GARJFASQSA-N 1 3 227.352 0.603 20 0 BCADHO CN(C(=O)CCCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000566193870 326010085 /nfs/dbraw/zinc/01/00/85/326010085.db2.gz OBYVCLTZLFMZIM-LBPRGKRZSA-N 1 3 239.363 0.811 20 0 BCADHO COC[C@H](C[NH2+][C@H](C)[C@H]1CCCCN1)OC ZINC000386539617 367988825 /nfs/dbraw/zinc/98/88/25/367988825.db2.gz CWQZUZILKJPMAU-GRYCIOLGSA-N 1 3 230.352 0.768 20 0 BCADHO COC[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCN1)OC ZINC000386539619 367989245 /nfs/dbraw/zinc/98/92/45/367989245.db2.gz CWQZUZILKJPMAU-SRVKXCTJSA-N 1 3 230.352 0.768 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000386620886 368003804 /nfs/dbraw/zinc/00/38/04/368003804.db2.gz YEFAKYWGYIPQPM-QJPTWQEYSA-N 1 3 230.352 0.504 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000441621889 201559250 /nfs/dbraw/zinc/55/92/50/201559250.db2.gz PLWFFDPDUCOWKE-ZYHUDNBSSA-N 1 3 235.331 0.440 20 0 BCADHO C[C@@H]1CCN(CC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505586 368081017 /nfs/dbraw/zinc/08/10/17/368081017.db2.gz HEMOUONEDYQSBL-LLVKDONJSA-N 1 3 239.363 0.348 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615510878 368085072 /nfs/dbraw/zinc/08/50/72/368085072.db2.gz YWSCFMWBRYOLNU-LLVKDONJSA-N 1 3 225.336 0.101 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)COC(C)C)CC1 ZINC000387423776 368178460 /nfs/dbraw/zinc/17/84/60/368178460.db2.gz OQHAROCBKKCXFG-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO O=C([C@@H]1CCCCC[NH2+]1)N1CCCNCC1 ZINC000080993990 368564794 /nfs/dbraw/zinc/56/47/94/368564794.db2.gz SLLPMVGPDJHSPU-NSHDSACASA-N 1 3 225.336 0.341 20 0 BCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C1CC1 ZINC000063583349 368589915 /nfs/dbraw/zinc/58/99/15/368589915.db2.gz SSHBBHJPYUKYBN-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C1CC1 ZINC000063583349 368589920 /nfs/dbraw/zinc/58/99/20/368589920.db2.gz SSHBBHJPYUKYBN-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC([NH3+])CC1 ZINC000082261715 368662125 /nfs/dbraw/zinc/66/21/25/368662125.db2.gz QCEHRAZRCCNFII-ZDUSSCGKSA-N 1 3 247.342 0.506 20 0 BCADHO C[NH2+]CCCN(C)CC1CCOCC1 ZINC000082544618 368692478 /nfs/dbraw/zinc/69/24/78/368692478.db2.gz FNMNBJALGQNRFS-UHFFFAOYSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@H+](C)CC1CCOCC1 ZINC000082544618 368692484 /nfs/dbraw/zinc/69/24/84/368692484.db2.gz FNMNBJALGQNRFS-UHFFFAOYSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+](C)CC1CCOCC1 ZINC000082544618 368692485 /nfs/dbraw/zinc/69/24/85/368692485.db2.gz FNMNBJALGQNRFS-UHFFFAOYSA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH+](C)C ZINC000067573045 368692503 /nfs/dbraw/zinc/69/25/03/368692503.db2.gz NEIUSYBVYHLWGQ-SNVBAGLBSA-N 1 3 215.341 0.393 20 0 BCADHO CCN(CC)CC(=O)NCCC[NH+]1CCCC1 ZINC000068009339 368709612 /nfs/dbraw/zinc/70/96/12/368709612.db2.gz YFDAULSOFWUHHN-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CC(C)N(C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457214695 203020832 /nfs/dbraw/zinc/02/08/32/203020832.db2.gz XLFYEFGBTSGPOV-UHFFFAOYSA-N 1 3 229.368 0.783 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457385601 203050113 /nfs/dbraw/zinc/05/01/13/203050113.db2.gz VFCSMIJWHXLBNH-BBBLOLIVSA-N 1 3 213.325 0.308 20 0 BCADHO COCCOCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086402441 368879992 /nfs/dbraw/zinc/87/99/92/368879992.db2.gz IKTZXWSAAMQJPN-NWDGAFQWSA-N 1 3 230.352 0.899 20 0 BCADHO CN(C)C(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403302 368880347 /nfs/dbraw/zinc/88/03/47/368880347.db2.gz GZQOVOLCUWRJMA-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086403302 368880349 /nfs/dbraw/zinc/88/03/49/368880349.db2.gz GZQOVOLCUWRJMA-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091392102 369010388 /nfs/dbraw/zinc/01/03/88/369010388.db2.gz NYSVIBSXTYSENB-YPMHNXCESA-N 1 3 239.363 0.681 20 0 BCADHO N[C@H]1CCCCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631835435 369044182 /nfs/dbraw/zinc/04/41/82/369044182.db2.gz UUSKAIQIAMKSBK-NWDGAFQWSA-N 1 3 249.362 0.969 20 0 BCADHO N[C@H]1CCCCC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631835435 369044183 /nfs/dbraw/zinc/04/41/83/369044183.db2.gz UUSKAIQIAMKSBK-NWDGAFQWSA-N 1 3 249.362 0.969 20 0 BCADHO CCN(C)CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000458010179 203126896 /nfs/dbraw/zinc/12/68/96/203126896.db2.gz HTAHPJTUFJDHHR-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CC[N@H+](C)CCNC(=O)NC[C@H](C)N(C)C ZINC000458010179 203126899 /nfs/dbraw/zinc/12/68/99/203126899.db2.gz HTAHPJTUFJDHHR-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CC[N@@H+](C)CCNC(=O)NC[C@H](C)N(C)C ZINC000458010179 203126901 /nfs/dbraw/zinc/12/69/01/203126901.db2.gz HTAHPJTUFJDHHR-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO NC1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCC1 ZINC000567587500 326223500 /nfs/dbraw/zinc/22/35/00/326223500.db2.gz NYQJUQJDQRRQIB-UHFFFAOYSA-N 1 3 223.320 0.222 20 0 BCADHO CCOC(=O)CCN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000404905644 369438019 /nfs/dbraw/zinc/43/80/19/369438019.db2.gz ROMYLLLROYFRBR-IUCAKERBSA-N 1 3 214.309 0.655 20 0 BCADHO CCOC(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404905644 369438024 /nfs/dbraw/zinc/43/80/24/369438024.db2.gz ROMYLLLROYFRBR-IUCAKERBSA-N 1 3 214.309 0.655 20 0 BCADHO COC(=O)C[C@H]1CCCN1C[C@H]1CC[NH2+]C1 ZINC000259913058 370952580 /nfs/dbraw/zinc/95/25/80/370952580.db2.gz GODONDJBEMPMLO-WDEREUQCSA-N 1 3 226.320 0.623 20 0 BCADHO OCCNC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000631862272 369503214 /nfs/dbraw/zinc/50/32/14/369503214.db2.gz HMQDHNPQBSKHHS-ZDUSSCGKSA-N 1 3 242.363 0.602 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165602934 203385609 /nfs/dbraw/zinc/38/56/09/203385609.db2.gz OLAQUEAYHGUHHC-RYUDHWBXSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@@H](C)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000251853876 369977738 /nfs/dbraw/zinc/97/77/38/369977738.db2.gz NJOQADPZXQXZSN-VXGBXAGGSA-N 1 3 211.353 0.764 20 0 BCADHO CC[C@@H](C)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000251853876 369977742 /nfs/dbraw/zinc/97/77/42/369977742.db2.gz NJOQADPZXQXZSN-VXGBXAGGSA-N 1 3 211.353 0.764 20 0 BCADHO CCN(CC)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621151568 370124061 /nfs/dbraw/zinc/12/40/61/370124061.db2.gz DJJMQPQRUXBKAW-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000309743118 370253110 /nfs/dbraw/zinc/25/31/10/370253110.db2.gz DTQRPTDMFBAYLV-JTQLQIEISA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]1CN(C(=O)CCCC[NH3+])[C@H](C)CN1 ZINC000309760650 370255426 /nfs/dbraw/zinc/25/54/26/370255426.db2.gz IPQBNYLMVMUKTF-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309831907 370258297 /nfs/dbraw/zinc/25/82/97/370258297.db2.gz YSSRKLMYRRIFJL-IUCAKERBSA-N 1 3 233.381 0.166 20 0 BCADHO C[C@@H]1CN(C(=O)CC[NH2+]C2CC2)[C@H](C)CN1 ZINC000568230978 326328738 /nfs/dbraw/zinc/32/87/38/326328738.db2.gz IZBRUTSXNSYZBK-NXEZZACHSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684393 370431780 /nfs/dbraw/zinc/43/17/80/370431780.db2.gz LSQZKWTTYFNFBS-UMNHJUIQSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684391 370433866 /nfs/dbraw/zinc/43/38/66/370433866.db2.gz LSQZKWTTYFNFBS-NHCYSSNCSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)(N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684137 370434022 /nfs/dbraw/zinc/43/40/22/370434022.db2.gz IAPLZAOKDKXZSZ-KCJUWKMLSA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684352 370434556 /nfs/dbraw/zinc/43/45/56/370434556.db2.gz KWWXTUBWLCNGCV-NOHGZBONSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684484 370435010 /nfs/dbraw/zinc/43/50/10/370435010.db2.gz NCXARTRULDICJQ-GIPNMCIBSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684725 370435043 /nfs/dbraw/zinc/43/50/43/370435043.db2.gz RKMLWHDJRIDUFF-FXPVBKGRSA-N 1 3 211.309 0.064 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621693577 370440018 /nfs/dbraw/zinc/44/00/18/370440018.db2.gz YDWKPPNDACBFIF-WCQYABFASA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CNC1CC1)C2 ZINC000621698527 370444231 /nfs/dbraw/zinc/44/42/31/370444231.db2.gz ZYCPYNNHYNNONE-BXKDBHETSA-N 1 3 223.320 0.078 20 0 BCADHO CC[NH+]1CCC(N[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000621742289 370502543 /nfs/dbraw/zinc/50/25/43/370502543.db2.gz MOMNPOWVTWQLRN-CYBMUJFWSA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCN(C[C@H]2CC[NH2+]C2)C(C)(C)C1 ZINC000621776610 370519860 /nfs/dbraw/zinc/51/98/60/370519860.db2.gz PXQGUVUVJBUFJI-NSHDSACASA-N 1 3 211.353 0.622 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621784520 370538217 /nfs/dbraw/zinc/53/82/17/370538217.db2.gz QCKVXAZXQOHHMJ-DGCLKSJQSA-N 1 3 239.363 0.668 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621784520 370538221 /nfs/dbraw/zinc/53/82/21/370538221.db2.gz QCKVXAZXQOHHMJ-DGCLKSJQSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000569230409 326395373 /nfs/dbraw/zinc/39/53/73/326395373.db2.gz WNBNJEXCSGXQDN-RHYQMDGZSA-N 1 3 241.379 0.768 20 0 BCADHO CCN1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000624333069 371485376 /nfs/dbraw/zinc/48/53/76/371485376.db2.gz HZNICBXPJFLAOD-ZDUSSCGKSA-N 1 3 241.379 0.127 20 0 BCADHO CC[NH+]1CCC(NCCN2CC[C@H](O)C2)CC1 ZINC000624333069 371485383 /nfs/dbraw/zinc/48/53/83/371485383.db2.gz HZNICBXPJFLAOD-ZDUSSCGKSA-N 1 3 241.379 0.127 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000162073793 371608889 /nfs/dbraw/zinc/60/88/89/371608889.db2.gz LZMPBGQNMXCZNP-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000131720681 371658816 /nfs/dbraw/zinc/65/88/16/371658816.db2.gz LIXXWLNBGQJREG-UWVGGRQHSA-N 1 3 245.392 0.325 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000631826764 372606339 /nfs/dbraw/zinc/60/63/39/372606339.db2.gz WLMTWVDUCFWYTH-RYUDHWBXSA-N 1 3 249.362 0.969 20 0 BCADHO C[C@H]1C[N@H+](CC2(O)CCOCC2)C[C@H]1CN ZINC000631837893 372628547 /nfs/dbraw/zinc/62/85/47/372628547.db2.gz XXIVNYINFMNQIX-WDEREUQCSA-N 1 3 228.336 0.055 20 0 BCADHO C[C@H]1C[N@@H+](CC2(O)CCOCC2)C[C@H]1CN ZINC000631837893 372628554 /nfs/dbraw/zinc/62/85/54/372628554.db2.gz XXIVNYINFMNQIX-WDEREUQCSA-N 1 3 228.336 0.055 20 0 BCADHO C[C@H]1OCC[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861696 372663400 /nfs/dbraw/zinc/66/34/00/372663400.db2.gz HFGUZXLZRVJTRP-NEPJUHHUSA-N 1 3 242.363 0.458 20 0 BCADHO CNCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632878084 373204063 /nfs/dbraw/zinc/20/40/63/373204063.db2.gz KDNUPCFROBGJHT-SNVBAGLBSA-N 1 3 233.315 0.370 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@H](C)COC)C1 ZINC000250361149 170017116 /nfs/dbraw/zinc/01/71/16/170017116.db2.gz UAJSUKJGWPIBRH-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418388712 206017340 /nfs/dbraw/zinc/01/73/40/206017340.db2.gz NLJFTQBBKVAHQT-DCAQKATOSA-N 1 3 242.367 0.234 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCCC[C@@H]1C ZINC000424129666 206032560 /nfs/dbraw/zinc/03/25/60/206032560.db2.gz GJVGWLNDALQWTP-QCNOEVLYSA-N 1 3 239.363 0.713 20 0 BCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CCC[NH2+]1 ZINC000367371852 182392523 /nfs/dbraw/zinc/39/25/23/182392523.db2.gz OAPOIFNGWYIABF-LBPRGKRZSA-N 1 3 246.314 0.418 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360815667 169006068 /nfs/dbraw/zinc/00/60/68/169006068.db2.gz DSKRARZLMGAGKN-WCQYABFASA-N 1 3 239.363 0.716 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353383232 169068702 /nfs/dbraw/zinc/06/87/02/169068702.db2.gz IVVGOGWKCZXQPM-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO CCCN(C)CC(=O)NC(C)(C)C[NH3+] ZINC000336658141 169070300 /nfs/dbraw/zinc/07/03/00/169070300.db2.gz INWOZIXGKMOGFM-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357290723 169073969 /nfs/dbraw/zinc/07/39/69/169073969.db2.gz DIDGNZGUYHMXLM-NQBHXWOUSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH3+] ZINC000336684557 169074313 /nfs/dbraw/zinc/07/43/13/169074313.db2.gz SUDHFCSLBZKAEY-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353383229 169067161 /nfs/dbraw/zinc/06/71/61/169067161.db2.gz IVVGOGWKCZXQPM-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO CCC[NH+]1CCC(NC(=O)CNC)CC1 ZINC000040829688 169188202 /nfs/dbraw/zinc/18/82/02/169188202.db2.gz ONEZRSRJASPWPR-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@@H](N)CC)CC1 ZINC000040829712 169188757 /nfs/dbraw/zinc/18/87/57/169188757.db2.gz LSQZBNNFHJWQEG-NSHDSACASA-N 1 3 227.352 0.714 20 0 BCADHO CCCN1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC000035140073 169189627 /nfs/dbraw/zinc/18/96/27/169189627.db2.gz SOMDOXRMVAXKTR-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[NH+]1CCC(N[C@@H](CO)CCOC)CC1 ZINC000305937625 169189891 /nfs/dbraw/zinc/18/98/91/169189891.db2.gz QKPNDHBXBCCEIM-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO CCCN1CCCN(C(=O)CC[NH2+]C)CC1 ZINC000367650109 169193289 /nfs/dbraw/zinc/19/32/89/169193289.db2.gz CATXLAVWBJOPBV-UHFFFAOYSA-N 1 3 227.352 0.540 20 0 BCADHO CCCN1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000366322557 169193919 /nfs/dbraw/zinc/19/39/19/169193919.db2.gz JJQLLBMCMZEPKR-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)CC(N)=O ZINC000336775814 169197206 /nfs/dbraw/zinc/19/72/06/169197206.db2.gz CTHCGNUURKXJEL-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)CC(N)=O ZINC000336775814 169197208 /nfs/dbraw/zinc/19/72/08/169197208.db2.gz CTHCGNUURKXJEL-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236765585 169197981 /nfs/dbraw/zinc/19/79/81/169197981.db2.gz QHJDCFCQQPSESD-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)NC)C1 ZINC000353651015 169206303 /nfs/dbraw/zinc/20/63/03/169206303.db2.gz YEBJHPPRVQWTDQ-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)NC)C1 ZINC000353651015 169206304 /nfs/dbraw/zinc/20/63/04/169206304.db2.gz YEBJHPPRVQWTDQ-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000353651015 169206306 /nfs/dbraw/zinc/20/63/06/169206306.db2.gz YEBJHPPRVQWTDQ-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000353651017 169206774 /nfs/dbraw/zinc/20/67/74/169206774.db2.gz YEBJHPPRVQWTDQ-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000353651017 169206776 /nfs/dbraw/zinc/20/67/76/169206776.db2.gz YEBJHPPRVQWTDQ-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000353651017 169206778 /nfs/dbraw/zinc/20/67/78/169206778.db2.gz YEBJHPPRVQWTDQ-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCCNC(=O)CCNC1CC[NH+](CC)CC1 ZINC000045071685 169217002 /nfs/dbraw/zinc/21/70/02/169217002.db2.gz BFZYOSMRZODCAQ-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514398 169240819 /nfs/dbraw/zinc/24/08/19/169240819.db2.gz JGZXEGCDBPWCOO-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000178815606 134315841 /nfs/dbraw/zinc/31/58/41/134315841.db2.gz HSDPWMBBRFGBOA-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000178815606 134315842 /nfs/dbraw/zinc/31/58/42/134315842.db2.gz HSDPWMBBRFGBOA-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000178870864 134315959 /nfs/dbraw/zinc/31/59/59/134315959.db2.gz SBLMRGFNYCCZSL-CABZTGNLSA-N 1 3 243.326 0.274 20 0 BCADHO CCC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000309509971 169389848 /nfs/dbraw/zinc/38/98/48/169389848.db2.gz XACXLMJKTUDZLD-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309474382 169391009 /nfs/dbraw/zinc/39/10/09/169391009.db2.gz RPMIYGFLTCBJOD-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCC[NH+](C)C ZINC000037481262 169450987 /nfs/dbraw/zinc/45/09/87/169450987.db2.gz QDVJUMFKMIOKBN-LLVKDONJSA-N 1 3 215.341 0.572 20 0 BCADHO C[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000225959351 134358049 /nfs/dbraw/zinc/35/80/49/134358049.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000225959351 134358050 /nfs/dbraw/zinc/35/80/50/134358050.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000225959351 134358048 /nfs/dbraw/zinc/35/80/48/134358048.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000648124825 383849702 /nfs/dbraw/zinc/84/97/02/383849702.db2.gz CXLAJNZRLBVHID-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824278 383865477 /nfs/dbraw/zinc/86/54/77/383865477.db2.gz ZFJVESJGNFMFFK-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CCOC(=O)C1CCN(CCOCC[NH3+])CC1 ZINC000569364062 383918877 /nfs/dbraw/zinc/91/88/77/383918877.db2.gz YXMNQNHWDRYEMG-UHFFFAOYSA-N 1 3 244.335 0.237 20 0 BCADHO CC[C@@](C)(CN)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000569361474 383894998 /nfs/dbraw/zinc/89/49/98/383894998.db2.gz BRWWWUSJBMJUFM-KCJUWKMLSA-N 1 3 226.324 0.846 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000237113939 383897373 /nfs/dbraw/zinc/89/73/73/383897373.db2.gz TYMDMHIQMPNLHA-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H]1CN(C(=O)C2(N)CCCC2)CC[C@H]1[NH3+] ZINC000648126044 383984238 /nfs/dbraw/zinc/98/42/38/383984238.db2.gz YURHIDVJXIUHCR-GHMZBOCLSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449358965 383971422 /nfs/dbraw/zinc/97/14/22/383971422.db2.gz HAMNSEAXTZXZCW-CABZTGNLSA-N 1 3 237.347 0.480 20 0 BCADHO Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc[nH+]1 ZINC000518564853 384016350 /nfs/dbraw/zinc/01/63/50/384016350.db2.gz YKQMKEPDYPSEEP-NEPJUHHUSA-N 1 3 246.314 0.138 20 0 BCADHO C[C@H](CC(N)=O)NCCC[NH+]1CCCCC1 ZINC000309398859 384020767 /nfs/dbraw/zinc/02/07/67/384020767.db2.gz GZZQICKWKLXBJV-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO Cc1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc[nH+]1 ZINC000518564855 384015324 /nfs/dbraw/zinc/01/53/24/384015324.db2.gz YKQMKEPDYPSEEP-RYUDHWBXSA-N 1 3 246.314 0.138 20 0 BCADHO CO[C@H](CN)c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647158805 384083913 /nfs/dbraw/zinc/08/39/13/384083913.db2.gz HRCPZZQHJWABPM-SNVBAGLBSA-N 1 3 248.286 0.842 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000648127715 384054285 /nfs/dbraw/zinc/05/42/85/384054285.db2.gz PYPDCSBSZZJAFJ-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@H]2CC[NH2+]C2)[C@H]1C ZINC000648127717 384054339 /nfs/dbraw/zinc/05/43/39/384054339.db2.gz PYPDCSBSZZJAFJ-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](C)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304753 384064570 /nfs/dbraw/zinc/06/45/70/384064570.db2.gz NJOQADPZXQXZSN-NEPJUHHUSA-N 1 3 211.353 0.764 20 0 BCADHO CC[C@@H](C)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304753 384064578 /nfs/dbraw/zinc/06/45/78/384064578.db2.gz NJOQADPZXQXZSN-NEPJUHHUSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000335895225 384094396 /nfs/dbraw/zinc/09/43/96/384094396.db2.gz JWJZROXWXPXONQ-QWRGUYRKSA-N 1 3 239.363 0.762 20 0 BCADHO NCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142302 384174491 /nfs/dbraw/zinc/17/44/91/384174491.db2.gz MZSQRLOJXSPCGP-GHMZBOCLSA-N 1 3 225.336 0.183 20 0 BCADHO CC(C)([NH3+])CCC(=O)N1CCN2CCC1CC2 ZINC000648153790 384203109 /nfs/dbraw/zinc/20/31/09/384203109.db2.gz PAMSJFXKCHNSQM-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000163247712 384189122 /nfs/dbraw/zinc/18/91/22/384189122.db2.gz SWMKWZCZBIUQNE-MFKMUULPSA-N 1 3 247.342 0.955 20 0 BCADHO Cc1cnn(CCN(C)CCOCC[NH3+])c1 ZINC000304380160 384238146 /nfs/dbraw/zinc/23/81/46/384238146.db2.gz KONKLTIQADTDDJ-UHFFFAOYSA-N 1 3 226.324 0.099 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237453537 384209161 /nfs/dbraw/zinc/20/91/61/384209161.db2.gz JTUWOJJYFBVXQM-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO Cn1cc(CN2CCC[C@H](CC[NH3+])C2)cn1 ZINC000069626449 384247826 /nfs/dbraw/zinc/24/78/26/384247826.db2.gz ZYQICTMNKOMLDY-LLVKDONJSA-N 1 3 222.336 0.981 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C1(N)CCCCC1 ZINC000648144398 384249118 /nfs/dbraw/zinc/24/91/18/384249118.db2.gz YDDYEGKIDXYTTI-JTQLQIEISA-N 1 3 227.352 0.892 20 0 BCADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1CC1 ZINC000335395884 384257048 /nfs/dbraw/zinc/25/70/48/384257048.db2.gz MLRFXKLPPVHHHR-PHIMTYICSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000648144486 384265983 /nfs/dbraw/zinc/26/59/83/384265983.db2.gz DRKWJRBDTNJWBI-RKDXNWHRSA-N 1 3 249.305 0.475 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)CN ZINC000083343678 384290714 /nfs/dbraw/zinc/29/07/14/384290714.db2.gz AKYZEYMBUQJNFD-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169030937 384393505 /nfs/dbraw/zinc/39/35/05/384393505.db2.gz VTBDKBMVOKAFRD-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000235742037 384413758 /nfs/dbraw/zinc/41/37/58/384413758.db2.gz OEKKUUMFGWNBMJ-PWSUYJOCSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000235742037 384413765 /nfs/dbraw/zinc/41/37/65/384413765.db2.gz OEKKUUMFGWNBMJ-PWSUYJOCSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084217079 384377433 /nfs/dbraw/zinc/37/74/33/384377433.db2.gz HABDTNKAVPPOEF-HBNTYKKESA-N 1 3 200.326 0.722 20 0 BCADHO Cn1cncc1CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405481088 384379135 /nfs/dbraw/zinc/37/91/35/384379135.db2.gz NBVUVACIIJHTDN-MNOVXSKESA-N 1 3 222.336 0.678 20 0 BCADHO Cn1cncc1CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000405481088 384379139 /nfs/dbraw/zinc/37/91/39/384379139.db2.gz NBVUVACIIJHTDN-MNOVXSKESA-N 1 3 222.336 0.678 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169032786 384389233 /nfs/dbraw/zinc/38/92/33/384389233.db2.gz NOBNJLNNGAMAKA-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169033215 384389438 /nfs/dbraw/zinc/38/94/38/384389438.db2.gz VTBDKBMVOKAFRD-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000648145773 384449880 /nfs/dbraw/zinc/44/98/80/384449880.db2.gz FSJZUPLTVASCPC-HTQZYQBOSA-N 1 3 235.278 0.085 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000648145774 384450981 /nfs/dbraw/zinc/45/09/81/384450981.db2.gz FSJZUPLTVASCPC-JGVFFNPUSA-N 1 3 235.278 0.085 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000648144979 384438544 /nfs/dbraw/zinc/43/85/44/384438544.db2.gz TVOQCAJEOREWKB-ZJUUUORDSA-N 1 3 247.342 0.335 20 0 BCADHO CC[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000036871589 384462111 /nfs/dbraw/zinc/46/21/11/384462111.db2.gz RQMPAHMTNNRZKN-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000648180288 384463151 /nfs/dbraw/zinc/46/31/51/384463151.db2.gz QKTRFFXPMJNDOV-BBBLOLIVSA-N 1 3 225.336 0.371 20 0 BCADHO CCC[C@H](C)[C@@H](CO)NC[C@@H](O)C[N@H+](C)CC ZINC000568182545 384464427 /nfs/dbraw/zinc/46/44/27/384464427.db2.gz SIEWCHINXUGJPF-YNEHKIRRSA-N 1 3 246.395 0.686 20 0 BCADHO CCC[C@H](C)[C@@H](CO)NC[C@@H](O)C[N@@H+](C)CC ZINC000568182545 384464434 /nfs/dbraw/zinc/46/44/34/384464434.db2.gz SIEWCHINXUGJPF-YNEHKIRRSA-N 1 3 246.395 0.686 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180392 384468155 /nfs/dbraw/zinc/46/81/55/384468155.db2.gz AKYPHWZYPCQZJX-IUCAKERBSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180390 384468396 /nfs/dbraw/zinc/46/83/96/384468396.db2.gz AKYPHWZYPCQZJX-BDAKNGLRSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)C[C@H](CNC(=O)C1(N)CCC1)[NH+](C)C ZINC000148107071 384459327 /nfs/dbraw/zinc/45/93/27/384459327.db2.gz QTKZWVUGRWCOBK-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@@H](CNC(=O)CN)[NH+](C)C ZINC000040831249 384502470 /nfs/dbraw/zinc/50/24/70/384502470.db2.gz QIAUUQLQQLFWSS-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000161854212 384534290 /nfs/dbraw/zinc/53/42/90/384534290.db2.gz ISZYSOWMFFIVMH-GFCCVEGCSA-N 1 3 222.336 0.767 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCn2ccnc2)C1 ZINC000161854212 384534298 /nfs/dbraw/zinc/53/42/98/384534298.db2.gz ISZYSOWMFFIVMH-GFCCVEGCSA-N 1 3 222.336 0.767 20 0 BCADHO C[N@H+](CCNC(=O)C1(N)CCC1)C1CCCC1 ZINC000148279832 384534880 /nfs/dbraw/zinc/53/48/80/384534880.db2.gz QNCUCFFVWYGUNH-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[N@@H+](CCNC(=O)C1(N)CCC1)C1CCCC1 ZINC000148279832 384534886 /nfs/dbraw/zinc/53/48/86/384534886.db2.gz QNCUCFFVWYGUNH-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N(C)[C@H]2CC[NH2+]C2)C1 ZINC000561182741 384547755 /nfs/dbraw/zinc/54/77/55/384547755.db2.gz OOXYMJABYVCVGS-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000309737972 384569782 /nfs/dbraw/zinc/56/97/82/384569782.db2.gz GXHYFNFPQWRXDL-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000309737972 384569788 /nfs/dbraw/zinc/56/97/88/384569788.db2.gz GXHYFNFPQWRXDL-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000517926052 384574219 /nfs/dbraw/zinc/57/42/19/384574219.db2.gz WPSFQRZHWHJSKE-CKYFFXLPSA-N 1 3 230.352 0.455 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000517926052 384574222 /nfs/dbraw/zinc/57/42/22/384574222.db2.gz WPSFQRZHWHJSKE-CKYFFXLPSA-N 1 3 230.352 0.455 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+][C@@H](C)[C@H](C)O ZINC000647530374 384609702 /nfs/dbraw/zinc/60/97/02/384609702.db2.gz AOINIOVZZQSQEU-SDDRHHMPSA-N 1 3 232.368 0.438 20 0 BCADHO C[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000643079577 384618511 /nfs/dbraw/zinc/61/85/11/384618511.db2.gz IQTXGGXZOXQELM-DGCLKSJQSA-N 1 3 249.358 0.802 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000258678271 384631185 /nfs/dbraw/zinc/63/11/85/384631185.db2.gz TUVDASMWGDUZAW-NSHDSACASA-N 1 3 240.351 0.132 20 0 BCADHO CC[C@@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768295 384593380 /nfs/dbraw/zinc/59/33/80/384593380.db2.gz SVTSVCGZRJTUDH-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236837962 384593523 /nfs/dbraw/zinc/59/35/23/384593523.db2.gz GTMLFNUQUVWHDW-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@](C)([NH2+]CC[C@@H]1CCCN1C)C(N)=O ZINC000309843562 384664244 /nfs/dbraw/zinc/66/42/44/384664244.db2.gz FIYJHYBVUWFGMK-JQWIXIFHSA-N 1 3 227.352 0.714 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOC[C@@H]1CCCO1 ZINC000569349543 384640027 /nfs/dbraw/zinc/64/00/27/384640027.db2.gz LLZNAMVQXCSXOI-RWMBFGLXSA-N 1 3 242.363 0.899 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000569349543 384640034 /nfs/dbraw/zinc/64/00/34/384640034.db2.gz LLZNAMVQXCSXOI-RWMBFGLXSA-N 1 3 242.363 0.899 20 0 BCADHO Cc1[nH]ncc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533495 384643231 /nfs/dbraw/zinc/64/32/31/384643231.db2.gz STXBKCFLDGXODR-PWSUYJOCSA-N 1 3 220.320 0.902 20 0 BCADHO CN1CCCC[C@H]1CC[N@H+](C)CCO ZINC000049633841 384679281 /nfs/dbraw/zinc/67/92/81/384679281.db2.gz BLIOOKLMKAGJCI-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CN1CCCC[C@H]1CC[N@@H+](C)CCO ZINC000049633841 384679288 /nfs/dbraw/zinc/67/92/88/384679288.db2.gz BLIOOKLMKAGJCI-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444175828 384681108 /nfs/dbraw/zinc/68/11/08/384681108.db2.gz MFUBIUSLUBFCLG-QKCSRTOESA-N 1 3 249.358 0.339 20 0 BCADHO CC(C)(C)OCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000308516267 384776840 /nfs/dbraw/zinc/77/68/40/384776840.db2.gz ZCBIESSLUXCVNI-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300393921 384746957 /nfs/dbraw/zinc/74/69/57/384746957.db2.gz HASOKZOYZWMUNY-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300393921 384746964 /nfs/dbraw/zinc/74/69/64/384746964.db2.gz HASOKZOYZWMUNY-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000300393920 384748042 /nfs/dbraw/zinc/74/80/42/384748042.db2.gz HASOKZOYZWMUNY-UTUOFQBUSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300393920 384748052 /nfs/dbraw/zinc/74/80/52/384748052.db2.gz HASOKZOYZWMUNY-UTUOFQBUSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@H](CN[C@@H]1CCO[C@@H]1C)C[NH+](C)C ZINC000308575048 384823739 /nfs/dbraw/zinc/82/37/39/384823739.db2.gz MCWOREXRKRJMNR-GMTAPVOTSA-N 1 3 200.326 0.951 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000648203496 384830865 /nfs/dbraw/zinc/83/08/65/384830865.db2.gz MJDSCNIEHFEYTG-SNVBAGLBSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCCC[NH2+]C1CC1 ZINC000648203495 384832138 /nfs/dbraw/zinc/83/21/38/384832138.db2.gz MJDSCNIEHFEYTG-JTQLQIEISA-N 1 3 225.336 0.243 20 0 BCADHO COC(=O)CCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000126978228 384836603 /nfs/dbraw/zinc/83/66/03/384836603.db2.gz MOERWAKBVNUDOM-ZJUUUORDSA-N 1 3 214.309 0.609 20 0 BCADHO CC[C@@H](CN[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040018 384808914 /nfs/dbraw/zinc/80/89/14/384808914.db2.gz XNJFFPVEXGARQC-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH+](C)C[C@@H]1CN(C(=O)CN)c2ccccc2O1 ZINC000370781514 384850704 /nfs/dbraw/zinc/85/07/04/384850704.db2.gz ZGDQKLIUTUNTNY-SNVBAGLBSA-N 1 3 249.314 0.301 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055122428 384869660 /nfs/dbraw/zinc/86/96/60/384869660.db2.gz LAVCRUQQSZJKSO-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CN(C[C@H](O)C[NH2+][C@H]1CCCN(C)C1)C1CC1 ZINC000644548012 384952116 /nfs/dbraw/zinc/95/21/16/384952116.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548012 384952122 /nfs/dbraw/zinc/95/21/22/384952122.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548012 384952124 /nfs/dbraw/zinc/95/21/24/384952124.db2.gz KIQWOZGGVRVEMF-WCQYABFASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C1CCN(C)CC1 ZINC000257711898 384925117 /nfs/dbraw/zinc/92/51/17/384925117.db2.gz QZVDVFHVLSOHDL-VIFPVBQESA-N 1 3 213.325 0.039 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000258884564 384945027 /nfs/dbraw/zinc/94/50/27/384945027.db2.gz USJPFFFPWOYMMN-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000129090374 384973072 /nfs/dbraw/zinc/97/30/72/384973072.db2.gz XAPHNVWAYSPLNZ-ZJUUUORDSA-N 1 3 215.341 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000036984205 384984391 /nfs/dbraw/zinc/98/43/91/384984391.db2.gz USCCXYUJHURWNW-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)N(C)C1CC1 ZINC000226399273 385007635 /nfs/dbraw/zinc/00/76/35/385007635.db2.gz ABJQLUIEUSCPPD-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO CCN(CCNC(=O)C1CC[NH2+]CC1)C1CC1 ZINC000226397391 385007707 /nfs/dbraw/zinc/00/77/07/385007707.db2.gz HSZKXJWUYVRNLY-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CC[NH2+]C1)C1CC1 ZINC000226398163 385007868 /nfs/dbraw/zinc/00/78/68/385007868.db2.gz SPFPNKVGJMNQIU-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)N(C)C1CC1 ZINC000226398827 385009503 /nfs/dbraw/zinc/00/95/03/385009503.db2.gz ZGOLJVGELNXKHG-ZWNOBZJWSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@H](CN2CCNC[C@@H]2C(F)F)CC[NH2+]1 ZINC000516650338 385010376 /nfs/dbraw/zinc/01/03/76/385010376.db2.gz KJHGXPIDFSTOEI-GMTAPVOTSA-N 1 3 247.333 0.913 20 0 BCADHO Cn1cc(CN2CCC(CC[NH3+])CC2)cn1 ZINC000050540139 385015842 /nfs/dbraw/zinc/01/58/42/385015842.db2.gz KFOQTKHSWMAJAR-UHFFFAOYSA-N 1 3 222.336 0.981 20 0 BCADHO C[C@@H](O)C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561682 384961282 /nfs/dbraw/zinc/96/12/82/384961282.db2.gz DZQDKJRUHMHPKS-NEPJUHHUSA-N 1 3 241.379 0.125 20 0 BCADHO C[NH2+]CCSCCCN1CCN(C)CC1 ZINC000566184918 385058081 /nfs/dbraw/zinc/05/80/81/385058081.db2.gz SFKCVHSBVHQVKX-UHFFFAOYSA-N 1 3 231.409 0.577 20 0 BCADHO C[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCCN1 ZINC000449729487 385074752 /nfs/dbraw/zinc/07/47/52/385074752.db2.gz ZWIRIUISUWAGFX-NTZNESFSSA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639713 385042990 /nfs/dbraw/zinc/04/29/90/385042990.db2.gz RDUJBAVSNVKKDE-LBPRGKRZSA-N 1 3 243.395 0.373 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000310411374 385045810 /nfs/dbraw/zinc/04/58/10/385045810.db2.gz WUWOIVASYZMEOW-BDAKNGLRSA-N 1 3 249.305 0.522 20 0 BCADHO NC(C(=O)N[C@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000646984990 385111026 /nfs/dbraw/zinc/11/10/26/385111026.db2.gz IBMXJMGUFATQGG-NKWVEPMBSA-N 1 3 239.241 0.134 20 0 BCADHO C[C@H](C(=O)N1CCC[C@H](N(C)C)C1)C1C[NH2+]C1 ZINC000164624885 385123667 /nfs/dbraw/zinc/12/36/67/385123667.db2.gz NCWAWMUEDQAAQF-JQWIXIFHSA-N 1 3 239.363 0.395 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](CN)c1ccccc1 ZINC000061613442 385124823 /nfs/dbraw/zinc/12/48/23/385124823.db2.gz MYWSZLHJSUCUMY-CYBMUJFWSA-N 1 3 249.358 0.797 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](CN)c1ccccc1 ZINC000061613442 385124829 /nfs/dbraw/zinc/12/48/29/385124829.db2.gz MYWSZLHJSUCUMY-CYBMUJFWSA-N 1 3 249.358 0.797 20 0 BCADHO C[C@H](CNC(=O)[C@@H](CN)c1ccccc1)[NH+](C)C ZINC000061612325 385125217 /nfs/dbraw/zinc/12/52/17/385125217.db2.gz RKICKXZXDBQDNA-YPMHNXCESA-N 1 3 249.358 0.795 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000646990981 385125663 /nfs/dbraw/zinc/12/56/63/385125663.db2.gz JEYHFSMLOLSTFS-NSHDSACASA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC[NH2+]1 ZINC000157266830 385130688 /nfs/dbraw/zinc/13/06/88/385130688.db2.gz SSHLECNLALBECW-IJLUTSLNSA-N 1 3 237.347 0.434 20 0 BCADHO CC[C@@H]1CN(C(=O)CNC2CC2)CC[C@@H]1[NH3+] ZINC000647001883 385138258 /nfs/dbraw/zinc/13/82/58/385138258.db2.gz CFCUUJSLFKUUAK-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H]1CN(C(=O)CNC2CC2)CC[C@H]1[NH3+] ZINC000647001882 385138417 /nfs/dbraw/zinc/13/84/17/385138417.db2.gz CFCUUJSLFKUUAK-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H]1CN(C(=O)CNC2CC2)CC[C@H]1[NH3+] ZINC000647001884 385138446 /nfs/dbraw/zinc/13/84/46/385138446.db2.gz CFCUUJSLFKUUAK-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@@H]1[NH3+] ZINC000647015765 385140047 /nfs/dbraw/zinc/14/00/47/385140047.db2.gz ZGLUGEZKZAMJRS-OUAUKWLOSA-N 1 3 227.352 0.556 20 0 BCADHO C[N@H+](C[C@@H](O)CN1CCC[C@H]1CCO)C1CC1 ZINC000310516332 385100097 /nfs/dbraw/zinc/10/00/97/385100097.db2.gz RSXHCUKIDMLBPL-QWHCGFSZSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+](C[C@@H](O)CN1CCC[C@H]1CCO)C1CC1 ZINC000310516332 385100103 /nfs/dbraw/zinc/10/01/03/385100103.db2.gz RSXHCUKIDMLBPL-QWHCGFSZSA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000530832000 385102699 /nfs/dbraw/zinc/10/26/99/385102699.db2.gz RYEJKSFMPHGGGY-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000530832000 385102705 /nfs/dbraw/zinc/10/27/05/385102705.db2.gz RYEJKSFMPHGGGY-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000647051335 385186578 /nfs/dbraw/zinc/18/65/78/385186578.db2.gz QFPRCKALUFIWJN-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO N[C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056272 385197998 /nfs/dbraw/zinc/19/79/98/385197998.db2.gz YOIIVJCVFVNNCH-GHMZBOCLSA-N 1 3 237.347 0.372 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647011698 385146733 /nfs/dbraw/zinc/14/67/33/385146733.db2.gz JAFHMLUIZREBNJ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058099 385200647 /nfs/dbraw/zinc/20/06/47/385200647.db2.gz MOORLUDSMBFXSP-XWLWVQCSSA-N 1 3 243.326 0.191 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000157401410 385174862 /nfs/dbraw/zinc/17/48/62/385174862.db2.gz GSPXXSMGUOXOFC-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000157401410 385174868 /nfs/dbraw/zinc/17/48/68/385174868.db2.gz GSPXXSMGUOXOFC-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054983 385201311 /nfs/dbraw/zinc/20/13/11/385201311.db2.gz GJDRWVLPSGDTCH-NXEZZACHSA-N 1 3 225.336 0.228 20 0 BCADHO [NH3+]CC1(CC(=O)N[C@@H]2CNCCC2(F)F)CC1 ZINC000647075763 385228603 /nfs/dbraw/zinc/22/86/03/385228603.db2.gz HDMKSVQMLJCXJU-MRVPVSSYSA-N 1 3 247.289 0.229 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)CCC[NH3+] ZINC000405003136 385232738 /nfs/dbraw/zinc/23/27/38/385232738.db2.gz ZMCFLMUJKOUPRH-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CC(C)[C@@H]1CN(CC(C)(C)[NH3+])CCN1C ZINC000108362548 385233348 /nfs/dbraw/zinc/23/33/48/385233348.db2.gz IEKOIBBXPQPZKL-NSHDSACASA-N 1 3 213.369 0.996 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000157641541 385239295 /nfs/dbraw/zinc/23/92/95/385239295.db2.gz DOHIBUUHHBWMCR-WOPDTQHZSA-N 1 3 241.379 0.816 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H]1NCC1(C)C ZINC000647090308 385255706 /nfs/dbraw/zinc/25/57/06/385255706.db2.gz KQDNAVADPQLMDL-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CCCN(C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000569254240 385314101 /nfs/dbraw/zinc/31/41/01/385314101.db2.gz HJXYXNGLHGXGLV-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO OCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157939612 385316949 /nfs/dbraw/zinc/31/69/49/385316949.db2.gz RHWNFUPQQNRWHW-NEPJUHHUSA-N 1 3 212.337 0.975 20 0 BCADHO OCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157939612 385316954 /nfs/dbraw/zinc/31/69/54/385316954.db2.gz RHWNFUPQQNRWHW-NEPJUHHUSA-N 1 3 212.337 0.975 20 0 BCADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@H]1CCCO1 ZINC000037889989 385321553 /nfs/dbraw/zinc/32/15/53/385321553.db2.gz VILXUIVPSSVUDU-GARJFASQSA-N 1 3 216.325 0.066 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648152405 385291813 /nfs/dbraw/zinc/29/18/13/385291813.db2.gz ZXUPHBCNYXIPAB-NNYUYHANSA-N 1 3 237.347 0.004 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000648152367 385292329 /nfs/dbraw/zinc/29/23/29/385292329.db2.gz SZVSNPMAAPITJO-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](C[C@H](C)O)NC[C@H](O)C[NH+]1CCCC1 ZINC000164731606 385293961 /nfs/dbraw/zinc/29/39/61/385293961.db2.gz YCNLZZTUWANTBC-WOPDTQHZSA-N 1 3 230.352 0.192 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000643973993 385338180 /nfs/dbraw/zinc/33/81/80/385338180.db2.gz QTQXHLCFWJJPTR-BDAKNGLRSA-N 1 3 247.289 0.181 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000179169737 385371267 /nfs/dbraw/zinc/37/12/67/385371267.db2.gz URDMMJXHZGMVCT-AAEUAGOBSA-N 1 3 249.358 0.701 20 0 BCADHO CCOC[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000309049626 385383913 /nfs/dbraw/zinc/38/39/13/385383913.db2.gz QDGRGRPAUWHTBH-QWRGUYRKSA-N 1 3 216.325 0.068 20 0 BCADHO CCOC[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000309049626 385383916 /nfs/dbraw/zinc/38/39/16/385383916.db2.gz QDGRGRPAUWHTBH-QWRGUYRKSA-N 1 3 216.325 0.068 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCNCC1(C)C ZINC000644076040 385424669 /nfs/dbraw/zinc/42/46/69/385424669.db2.gz WJROLAWGFYWWJU-VIFPVBQESA-N 1 3 225.336 0.195 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000644076520 385421282 /nfs/dbraw/zinc/42/12/82/385421282.db2.gz ZHHZWSPZYQOQTC-VWYCJHECSA-N 1 3 237.347 0.337 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000644076519 385422060 /nfs/dbraw/zinc/42/20/60/385422060.db2.gz ZHHZWSPZYQOQTC-OUAUKWLOSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H](NC(=O)[C@@H]1NCC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000644082244 385428692 /nfs/dbraw/zinc/42/86/92/385428692.db2.gz RKBNSMPXOUNVET-DCAQKATOSA-N 1 3 239.363 0.489 20 0 BCADHO CC(C)(C[NH3+])C(=O)NCc1ccc2c(c1)CNC2 ZINC000644111575 385488559 /nfs/dbraw/zinc/48/85/59/385488559.db2.gz GFAGSAFMFMJPAR-UHFFFAOYSA-N 1 3 247.342 0.891 20 0 BCADHO CC(C)[C@H]1CN(C[C@H]2CC[NH2+]C2)CCN1C ZINC000257790859 385495380 /nfs/dbraw/zinc/49/53/80/385495380.db2.gz PAXYFSVWBPRPKD-QWHCGFSZSA-N 1 3 225.380 0.868 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000644122661 385502468 /nfs/dbraw/zinc/50/24/68/385502468.db2.gz VADDHFRLVZAWSW-VIFPVBQESA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000644126380 385503780 /nfs/dbraw/zinc/50/37/80/385503780.db2.gz QYARLXQICLEKNN-CHWFTXMASA-N 1 3 239.363 0.487 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1NCC1(C)C ZINC000644126382 385504120 /nfs/dbraw/zinc/50/41/20/385504120.db2.gz QYARLXQICLEKNN-GWOFURMSSA-N 1 3 239.363 0.487 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106364187 385506097 /nfs/dbraw/zinc/50/60/97/385506097.db2.gz VQHJAERWXZBVTG-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000364870283 385532151 /nfs/dbraw/zinc/53/21/51/385532151.db2.gz ATDJFUGQGKCXAU-HOSYDEDBSA-N 1 3 243.326 0.274 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000364870286 385532699 /nfs/dbraw/zinc/53/26/99/385532699.db2.gz ATDJFUGQGKCXAU-NHCYSSNCSA-N 1 3 243.326 0.274 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000644140601 385523103 /nfs/dbraw/zinc/52/31/03/385523103.db2.gz TULAKRCBLQSHDP-VIFPVBQESA-N 1 3 227.352 0.618 20 0 BCADHO COCC[C@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000302682275 385554124 /nfs/dbraw/zinc/55/41/24/385554124.db2.gz QKDCDAFCQIHTHV-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364990975 385557657 /nfs/dbraw/zinc/55/76/57/385557657.db2.gz XIVRUYOSRKRUJG-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364990975 385557662 /nfs/dbraw/zinc/55/76/62/385557662.db2.gz XIVRUYOSRKRUJG-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000365093496 385595845 /nfs/dbraw/zinc/59/58/45/385595845.db2.gz LCXLZRMRPZXILZ-GMXVVIOVSA-N 1 3 239.363 0.700 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337433573 385658427 /nfs/dbraw/zinc/65/84/27/385658427.db2.gz BMXSCUASBPLHGH-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337433573 385658432 /nfs/dbraw/zinc/65/84/32/385658432.db2.gz BMXSCUASBPLHGH-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000337433561 385658869 /nfs/dbraw/zinc/65/88/69/385658869.db2.gz BMXSCUASBPLHGH-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000337433561 385658871 /nfs/dbraw/zinc/65/88/71/385658871.db2.gz BMXSCUASBPLHGH-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)CC[NH3+] ZINC000309522180 385659713 /nfs/dbraw/zinc/65/97/13/385659713.db2.gz BWRQVXYVEUFWFT-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973052 385778866 /nfs/dbraw/zinc/77/88/66/385778866.db2.gz NUVZVGABGFADQH-VXGBXAGGSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000336737516 385799383 /nfs/dbraw/zinc/79/93/83/385799383.db2.gz JLTXTQWQYLWFKX-ONGXEEELSA-N 1 3 215.341 0.476 20 0 BCADHO Cn1cnc(CCC[NH2+][C@H]2CCC[C@H]2CN)n1 ZINC000647801387 385810114 /nfs/dbraw/zinc/81/01/14/385810114.db2.gz UJIUQCASSQZIOG-QWRGUYRKSA-N 1 3 237.351 0.465 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186898980 385811955 /nfs/dbraw/zinc/81/19/55/385811955.db2.gz JILBOESVBQFCOV-UTLUCORTSA-N 1 3 213.325 0.084 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000262434275 385845315 /nfs/dbraw/zinc/84/53/15/385845315.db2.gz LBBWVXNLTHRHFD-QWHCGFSZSA-N 1 3 247.342 0.410 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262431977 385845976 /nfs/dbraw/zinc/84/59/76/385845976.db2.gz TWQBQHAORLDZKV-NWDGAFQWSA-N 1 3 247.342 0.677 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000262439673 385846011 /nfs/dbraw/zinc/84/60/11/385846011.db2.gz AMADGMSRLJEWGB-NHCYSSNCSA-N 1 3 235.331 0.786 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000647843196 385893331 /nfs/dbraw/zinc/89/33/31/385893331.db2.gz GQBZNUAJRODNIM-ZETCQYMHSA-N 1 3 235.278 0.085 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000335820991 385908809 /nfs/dbraw/zinc/90/88/09/385908809.db2.gz HNRNNKKJZFBCPB-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(N)=O ZINC000353208839 385909535 /nfs/dbraw/zinc/90/95/35/385909535.db2.gz OOJUHFLMSUNJCJ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(N)=O ZINC000353208839 385909536 /nfs/dbraw/zinc/90/95/36/385909536.db2.gz OOJUHFLMSUNJCJ-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000335036426 385926435 /nfs/dbraw/zinc/92/64/35/385926435.db2.gz CXQPMMBVPTXYDJ-NWDGAFQWSA-N 1 3 231.299 0.618 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CNCCC1(F)F ZINC000647811047 385861749 /nfs/dbraw/zinc/86/17/49/385861749.db2.gz QEHOGYRGWAAWNE-JGVFFNPUSA-N 1 3 235.278 0.037 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000647732458 385862164 /nfs/dbraw/zinc/86/21/64/385862164.db2.gz IOWXJSWNPSDPAT-OUAUKWLOSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000647831334 385875021 /nfs/dbraw/zinc/87/50/21/385875021.db2.gz JIIGCBRCMLQMAI-NEPJUHHUSA-N 1 3 241.379 0.878 20 0 BCADHO NC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000295222373 385993367 /nfs/dbraw/zinc/99/33/67/385993367.db2.gz RDMRYNLCFXQZGX-STQMWFEESA-N 1 3 247.342 0.582 20 0 BCADHO CC[C@H](Cn1cncn1)NCCC[NH+](C)C ZINC000336742441 385953328 /nfs/dbraw/zinc/95/33/28/385953328.db2.gz SBYLPDVTNMQVOY-LLVKDONJSA-N 1 3 225.340 0.598 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000295267820 386001258 /nfs/dbraw/zinc/00/12/58/386001258.db2.gz RVJZAKVSSCEXPX-NWDGAFQWSA-N 1 3 235.331 0.582 20 0 BCADHO CCN(CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129157493 386033474 /nfs/dbraw/zinc/03/34/74/386033474.db2.gz UEJRACUIUBDYAO-FOSCPWQOSA-N 1 3 239.363 0.727 20 0 BCADHO CNCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335064230 386035809 /nfs/dbraw/zinc/03/58/09/386035809.db2.gz XASNCJNKZOIMLY-SNVBAGLBSA-N 1 3 219.288 0.122 20 0 BCADHO CCCC[C@H](COC)NC[C@H]1C[NH2+]CCN1C ZINC000414978267 386039450 /nfs/dbraw/zinc/03/94/50/386039450.db2.gz RKHOIBWLBDWJRR-CHWSQXEVSA-N 1 3 243.395 0.685 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310083675 386085085 /nfs/dbraw/zinc/08/50/85/386085085.db2.gz FKSUMFAVRIDKOA-PWSUYJOCSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[N@@H+]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000334453439 386094988 /nfs/dbraw/zinc/09/49/88/386094988.db2.gz DJUFJGJWPUUZCO-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO CC(C)[N@H+]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000334453439 386094994 /nfs/dbraw/zinc/09/49/94/386094994.db2.gz DJUFJGJWPUUZCO-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000346143970 386166160 /nfs/dbraw/zinc/16/61/60/386166160.db2.gz TVLPLSXPUTXQSK-WDEREUQCSA-N 1 3 229.368 0.639 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000346157095 386170735 /nfs/dbraw/zinc/17/07/35/386170735.db2.gz TYUUJOKULKUQEE-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000346157095 386170740 /nfs/dbraw/zinc/17/07/40/386170740.db2.gz TYUUJOKULKUQEE-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO COC(=O)[C@@]1(C)CCN(CCC[NH3+])C1 ZINC000414702257 386208244 /nfs/dbraw/zinc/20/82/44/386208244.db2.gz IENWKAHBWMABHS-JTQLQIEISA-N 1 3 200.282 0.220 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000131761492 386221670 /nfs/dbraw/zinc/22/16/70/386221670.db2.gz PXDAWYOGMIMZEK-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)N(C)C ZINC000338964651 386192727 /nfs/dbraw/zinc/19/27/27/386192727.db2.gz QWLXXPOYHDGYIQ-MNOVXSKESA-N 1 3 229.368 0.783 20 0 BCADHO COCC(C)(C)CNC[C@@H]([NH3+])C1CC1 ZINC000414895619 386194044 /nfs/dbraw/zinc/19/40/44/386194044.db2.gz YGFIYRHEGJCBKT-SNVBAGLBSA-N 1 3 200.326 0.986 20 0 BCADHO CC[N@H+](C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000131149549 386197291 /nfs/dbraw/zinc/19/72/91/386197291.db2.gz KFXRMRJVXOCXHG-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO CC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CNC2 ZINC000131149549 386197295 /nfs/dbraw/zinc/19/72/95/386197295.db2.gz KFXRMRJVXOCXHG-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO CC[C@H]1CN(CCN2CC[NH2+]CC2)CCS1 ZINC000133029250 386286048 /nfs/dbraw/zinc/28/60/48/386286048.db2.gz HRRZWHHQJCYMPZ-LBPRGKRZSA-N 1 3 243.420 0.719 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000091395559 386296766 /nfs/dbraw/zinc/29/67/66/386296766.db2.gz CSFWBTFQVVCCQT-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000133182142 386300933 /nfs/dbraw/zinc/30/09/33/386300933.db2.gz HJLYAEKZRODKGJ-VXGBXAGGSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCCN1 ZINC000180896725 386304916 /nfs/dbraw/zinc/30/49/16/386304916.db2.gz QVVCCEXXAOYVTG-CMPLNLGQSA-N 1 3 225.336 0.387 20 0 BCADHO C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CCCCN1 ZINC000180896765 386305391 /nfs/dbraw/zinc/30/53/91/386305391.db2.gz QVVCCEXXAOYVTG-ZYHUDNBSSA-N 1 3 225.336 0.387 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCCN1 ZINC000236783682 386311763 /nfs/dbraw/zinc/31/17/63/386311763.db2.gz GRYMBTLQJAILID-JTQLQIEISA-N 1 3 227.352 0.762 20 0 BCADHO CC[N@H+](C)Cc1cccc(CNC(=O)CNC)c1 ZINC000236875549 386320225 /nfs/dbraw/zinc/32/02/25/386320225.db2.gz ZJGQOBYKAQHBCI-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CNC)c1 ZINC000236875549 386320229 /nfs/dbraw/zinc/32/02/29/386320229.db2.gz ZJGQOBYKAQHBCI-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO CC[N@H+](C)Cc1cccc(CNC(=O)CN)c1 ZINC000236875505 386320679 /nfs/dbraw/zinc/32/06/79/386320679.db2.gz YAFHHFLRMDEXNM-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO CC[N@@H+](C)Cc1cccc(CNC(=O)CN)c1 ZINC000236875505 386320686 /nfs/dbraw/zinc/32/06/86/386320686.db2.gz YAFHHFLRMDEXNM-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]C)N(CC)CC ZINC000339136286 386266586 /nfs/dbraw/zinc/26/65/86/386266586.db2.gz JTPRRWIBDOQTTK-QWRGUYRKSA-N 1 3 229.368 0.831 20 0 BCADHO CC(C)[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000336683207 386343473 /nfs/dbraw/zinc/34/34/73/386343473.db2.gz JPNQICYHIAHXNE-VXGBXAGGSA-N 1 3 214.353 0.887 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417547558 386348029 /nfs/dbraw/zinc/34/80/29/386348029.db2.gz HAXAFPLWDQPYNZ-NXEZZACHSA-N 1 3 242.367 0.458 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)CC ZINC000226396706 386386641 /nfs/dbraw/zinc/38/66/41/386386641.db2.gz OASMTCGHOTUGGY-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)CC ZINC000226396706 386386647 /nfs/dbraw/zinc/38/66/47/386386647.db2.gz OASMTCGHOTUGGY-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO NC(=O)C[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890091 386368225 /nfs/dbraw/zinc/36/82/25/386368225.db2.gz PJYUTMWPUIFELU-QWRGUYRKSA-N 1 3 225.336 0.183 20 0 BCADHO CC[C@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335276667 386337701 /nfs/dbraw/zinc/33/77/01/386337701.db2.gz PLEQDPXFKGIJRZ-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000347417952 386398274 /nfs/dbraw/zinc/39/82/74/386398274.db2.gz QHNTVHVSNSQIIM-YNEHKIRRSA-N 1 3 244.379 0.704 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000347417952 386398277 /nfs/dbraw/zinc/39/82/77/386398277.db2.gz QHNTVHVSNSQIIM-YNEHKIRRSA-N 1 3 244.379 0.704 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@H](CO)O[C@@H](C)C2)CC[NH2+]1 ZINC000414759398 386411347 /nfs/dbraw/zinc/41/13/47/386411347.db2.gz OERQXWCSONKEJI-YVECIDJPSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@@H]1CC[NH2+]C1 ZINC000647991490 386415811 /nfs/dbraw/zinc/41/58/11/386415811.db2.gz AAICWXISPYJSTN-GHMZBOCLSA-N 1 3 208.309 0.471 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CCNC[C@](C)(F)C1 ZINC000414766189 386432534 /nfs/dbraw/zinc/43/25/34/386432534.db2.gz DHLRTJIYFUWXCI-RYUDHWBXSA-N 1 3 231.359 0.993 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000417284874 386472837 /nfs/dbraw/zinc/47/28/37/386472837.db2.gz KLBVFHNUYLTPPD-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000417285367 386475193 /nfs/dbraw/zinc/47/51/93/386475193.db2.gz LKMCPDMLGXTMTR-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000417286446 386475797 /nfs/dbraw/zinc/47/57/97/386475797.db2.gz MXKDHLFRMPPUHX-GHMZBOCLSA-N 1 3 242.367 0.235 20 0 BCADHO C[C@@H](NC(=O)NCCN(C)C1CC1)[C@H](C)[NH3+] ZINC000417632819 386478101 /nfs/dbraw/zinc/47/81/01/386478101.db2.gz XIWYZYKOGBENLU-DTWKUNHWSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](N)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000335430636 386486023 /nfs/dbraw/zinc/48/60/23/386486023.db2.gz SKFAHXYKUKJJMS-SKDRFNHKSA-N 1 3 233.315 0.418 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCc2ccccc2[C@H]1CN ZINC000335431460 386488745 /nfs/dbraw/zinc/48/87/45/386488745.db2.gz WNGOQHRPAWNUGK-ZWNOBZJWSA-N 1 3 247.342 0.666 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000519598984 386498226 /nfs/dbraw/zinc/49/82/26/386498226.db2.gz KGIDQINRIRXLRZ-JQWIXIFHSA-N 1 3 227.352 0.620 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113124 386502348 /nfs/dbraw/zinc/50/23/48/386502348.db2.gz MWPBPHAZQDQRBD-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335441587 386502618 /nfs/dbraw/zinc/50/26/18/386502618.db2.gz DSAAPXPZEWXLSL-WDEREUQCSA-N 1 3 225.336 0.054 20 0 BCADHO C[C@H](CC1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037795 386524719 /nfs/dbraw/zinc/52/47/19/386524719.db2.gz NIHQVGGMRIARPQ-XEZLXBQYSA-N 1 3 224.348 0.999 20 0 BCADHO CC(C)C[C@H](C)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000414786494 386525449 /nfs/dbraw/zinc/52/54/49/386525449.db2.gz MFBOBUKFRHCLEV-SDDRHHMPSA-N 1 3 214.353 0.839 20 0 BCADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CNC[C@H]1O ZINC000414786494 386525452 /nfs/dbraw/zinc/52/54/52/386525452.db2.gz MFBOBUKFRHCLEV-SDDRHHMPSA-N 1 3 214.353 0.839 20 0 BCADHO C[C@H](CN[C@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC000336754833 386525904 /nfs/dbraw/zinc/52/59/04/386525904.db2.gz XIUDMTXVXCPLBG-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](C[NH2+][C@H](C)CC(N)=O)CN1CCCC1 ZINC000336754833 386525908 /nfs/dbraw/zinc/52/59/08/386525908.db2.gz XIUDMTXVXCPLBG-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NCCN(C)CCOC ZINC000061380738 386455796 /nfs/dbraw/zinc/45/57/96/386455796.db2.gz UXUOYTUWAYEYEF-LBPRGKRZSA-N 1 3 245.367 0.198 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH3+])N1CCCCC1 ZINC000347661965 386460972 /nfs/dbraw/zinc/46/09/72/386460972.db2.gz YMMUABBBIRLZRT-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CN(CCNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000059931406 386463472 /nfs/dbraw/zinc/46/34/72/386463472.db2.gz RYQYUAPOYWYKQE-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)NCCN(C)C1CC1 ZINC000417626999 386465907 /nfs/dbraw/zinc/46/59/07/386465907.db2.gz OXNZSARHDOWBLT-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CC(C)N1CCCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000335412047 386575380 /nfs/dbraw/zinc/57/53/80/386575380.db2.gz AOEYGZXBPTYHDF-LLVKDONJSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000335414134 386580285 /nfs/dbraw/zinc/58/02/85/386580285.db2.gz MVDOAXCUFMXYCS-ZJUUUORDSA-N 1 3 228.340 0.069 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335418730 386587932 /nfs/dbraw/zinc/58/79/32/386587932.db2.gz SXFJPEHXIUBHDT-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCCCCC1 ZINC000237390960 386590176 /nfs/dbraw/zinc/59/01/76/386590176.db2.gz KDKMAJQKHGVSEF-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO NC1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000335420776 386591563 /nfs/dbraw/zinc/59/15/63/386591563.db2.gz AEZXIDUXOXBUJV-LBPRGKRZSA-N 1 3 237.347 0.470 20 0 BCADHO O=C(NCC1=CC[NH2+]CC1)C12CCCN1CCC2 ZINC000335423552 386598850 /nfs/dbraw/zinc/59/88/50/386598850.db2.gz AWKIOQJKENERLA-UHFFFAOYSA-N 1 3 249.358 0.651 20 0 BCADHO C[C@@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000062902560 386532136 /nfs/dbraw/zinc/53/21/36/386532136.db2.gz LXBXADPUNNTOBY-GXFFZTMASA-N 1 3 237.347 0.339 20 0 BCADHO CN(CCNC(=O)[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000062910529 386533263 /nfs/dbraw/zinc/53/32/63/386533263.db2.gz VCFVIRFWTYHUAN-GFCCVEGCSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973548 386535509 /nfs/dbraw/zinc/53/55/09/386535509.db2.gz MUZHRFPJDMIHDO-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973547 386536347 /nfs/dbraw/zinc/53/63/47/386536347.db2.gz MUZHRFPJDMIHDO-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000063122307 386538009 /nfs/dbraw/zinc/53/80/09/386538009.db2.gz LBGNXUMAOZDNET-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]CC1(CC(=O)N2CCN3CCC2CC3)CC1 ZINC000335462369 386546392 /nfs/dbraw/zinc/54/63/92/386546392.db2.gz FMLRYWFHMYAXMJ-UHFFFAOYSA-N 1 3 237.347 0.422 20 0 BCADHO C[C@H](CC1CCOCC1)CN(C)C[C@H](O)C[NH3+] ZINC000415068847 386551907 /nfs/dbraw/zinc/55/19/07/386551907.db2.gz NRBKAAFHHPFSCQ-DGCLKSJQSA-N 1 3 244.379 0.691 20 0 BCADHO CC[NH2+]CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417691009 386558468 /nfs/dbraw/zinc/55/84/68/386558468.db2.gz WHGASBCUZGGCSF-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000335407075 386567316 /nfs/dbraw/zinc/56/73/16/386567316.db2.gz QXZDIYXVEFDTTQ-ZDUSSCGKSA-N 1 3 247.342 0.921 20 0 BCADHO CN(CCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CC1 ZINC000136205393 386569013 /nfs/dbraw/zinc/56/90/13/386569013.db2.gz ZFTCZEDJGNXLOT-CYBMUJFWSA-N 1 3 239.363 0.729 20 0 BCADHO N[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000335410728 386572903 /nfs/dbraw/zinc/57/29/03/386572903.db2.gz SUFDHZUUJNRZAG-GXSJLCMTSA-N 1 3 225.336 0.311 20 0 BCADHO CCN(C)CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062904263 386655576 /nfs/dbraw/zinc/65/55/76/386655576.db2.gz MRDQLRKOBNALTA-NSHDSACASA-N 1 3 213.325 0.054 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000335505813 386635959 /nfs/dbraw/zinc/63/59/59/386635959.db2.gz SUXKECKJDOKYLI-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575441 386647623 /nfs/dbraw/zinc/64/76/23/386647623.db2.gz NQRPKESCGQSVMN-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366496870 386602468 /nfs/dbraw/zinc/60/24/68/386602468.db2.gz KURLBDPVAZLQPB-GRYCIOLGSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000120178569 386663692 /nfs/dbraw/zinc/66/36/92/386663692.db2.gz OCMQGSDZOOEWCP-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@H](C(=O)N[C@H]1CC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000246569490 386664145 /nfs/dbraw/zinc/66/41/45/386664145.db2.gz BLYYWDKBJQXLNE-DRZSPHRISA-N 1 3 247.342 0.801 20 0 BCADHO CCN(CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042308885 386679404 /nfs/dbraw/zinc/67/94/04/386679404.db2.gz TXZCQXYIKAVAQL-ZDUSSCGKSA-N 1 3 241.379 0.393 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471061 386690811 /nfs/dbraw/zinc/69/08/11/386690811.db2.gz BNEHBUZQAHTYEZ-PWSUYJOCSA-N 1 3 237.347 0.410 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476535 386701100 /nfs/dbraw/zinc/70/11/00/386701100.db2.gz CYRIANXMVJSMDN-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505494 386704619 /nfs/dbraw/zinc/70/46/19/386704619.db2.gz LXPWGQLLQSLWHF-VWYCJHECSA-N 1 3 239.363 0.761 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C2(N)CCC2)CC1 ZINC000335478607 386705537 /nfs/dbraw/zinc/70/55/37/386705537.db2.gz ILUQILZXKBNRAY-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)([NH3+])CN1CCNC[C@](C)(F)C1 ZINC000335481427 386706658 /nfs/dbraw/zinc/70/66/58/386706658.db2.gz RXRHDNORXGGZOF-JTQLQIEISA-N 1 3 203.305 0.357 20 0 BCADHO N[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840396 386739620 /nfs/dbraw/zinc/73/96/20/386739620.db2.gz XABGVIGUEMSMKL-NEPJUHHUSA-N 1 3 205.305 0.638 20 0 BCADHO Cn1cc([C@@H]2CCN(CCOCC[NH3+])C2)cn1 ZINC000357091051 386714538 /nfs/dbraw/zinc/71/45/38/386714538.db2.gz VTNGYJOLTXOURF-LLVKDONJSA-N 1 3 238.335 0.185 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417785968 386719017 /nfs/dbraw/zinc/71/90/17/386719017.db2.gz QIJWFWWQWJCWME-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](C(=O)N1CCNC(C)(C)C1)[NH+](C)C ZINC000335543239 386728553 /nfs/dbraw/zinc/72/85/53/386728553.db2.gz UIKWMGOQFPLCSU-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000357253951 386747109 /nfs/dbraw/zinc/74/71/09/386747109.db2.gz XOUNVTPTMWGLGA-ONGXEEELSA-N 1 3 225.336 0.276 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000357237190 386744257 /nfs/dbraw/zinc/74/42/57/386744257.db2.gz GLJXOUUQGGNGHB-PWSUYJOCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417828377 386791398 /nfs/dbraw/zinc/79/13/98/386791398.db2.gz FNDPLQUSUJXMLY-ATZCPNFKSA-N 1 3 213.325 0.452 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417834684 386793275 /nfs/dbraw/zinc/79/32/75/386793275.db2.gz NGLJKVQCBPEVKT-UWVGGRQHSA-N 1 3 213.325 0.357 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1 ZINC000417834674 386793773 /nfs/dbraw/zinc/79/37/73/386793773.db2.gz NFHKGFPXVDVZOQ-GHMZBOCLSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCCN1 ZINC000019410008 386778850 /nfs/dbraw/zinc/77/88/50/386778850.db2.gz LLCZNYYPOICZCT-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000417808623 386786475 /nfs/dbraw/zinc/78/64/75/386786475.db2.gz ADQISNLIDYJBOQ-KXNHARMFSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811261 386789313 /nfs/dbraw/zinc/78/93/13/386789313.db2.gz JJRMIORAVYCJPL-MNOVXSKESA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418000671 386818150 /nfs/dbraw/zinc/81/81/50/386818150.db2.gz JRPMIOZISLCSCU-MXWKQRLJSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1[C@H](NC(=O)NCCCC[NH3+])CCCN1C ZINC000418001876 386819998 /nfs/dbraw/zinc/81/99/98/386819998.db2.gz LHSVKJZYNUJREQ-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417843085 386799259 /nfs/dbraw/zinc/79/92/59/386799259.db2.gz QGRYNMNPOMQDKO-WCBMZHEXSA-N 1 3 227.352 0.617 20 0 BCADHO CC1(C)CN(C(=O)C[NH2+]CC2CC2)CCN1 ZINC000417841266 386799812 /nfs/dbraw/zinc/79/98/12/386799812.db2.gz SWANTDQEZIPTQN-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417843083 386800202 /nfs/dbraw/zinc/80/02/02/386800202.db2.gz QGRYNMNPOMQDKO-PSASIEDQSA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417853328 386801455 /nfs/dbraw/zinc/80/14/55/386801455.db2.gz OVTQZVNOWXCZIB-KXUCPTDWSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]1[C@H](NC(=O)NC(C)(C)C[NH3+])CCCN1C ZINC000417995309 386803702 /nfs/dbraw/zinc/80/37/02/386803702.db2.gz DCIWVOPFYACCMP-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@H](C(=O)N(CC)CC[NH3+])N(CC)CC ZINC000638517262 386803790 /nfs/dbraw/zinc/80/37/90/386803790.db2.gz PYTWMIDBAVYARY-LLVKDONJSA-N 1 3 229.368 0.914 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417857623 386804206 /nfs/dbraw/zinc/80/42/06/386804206.db2.gz UEJLKGVUHLLZJJ-KYXWUPHJSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417847424 386804541 /nfs/dbraw/zinc/80/45/41/386804541.db2.gz UQOWEOKDLFITBD-XWLWVQCSSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1NCCCC1(C)C ZINC000417859254 386804928 /nfs/dbraw/zinc/80/49/28/386804928.db2.gz VXPASFQRDMKGIO-GUBZILKMSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000417994909 386812310 /nfs/dbraw/zinc/81/23/10/386812310.db2.gz CQPGRWNOMIFMQQ-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366554728 386832688 /nfs/dbraw/zinc/83/26/88/386832688.db2.gz KVHSDMZGRGLWEH-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000331470819 386858001 /nfs/dbraw/zinc/85/80/01/386858001.db2.gz MJOLDJPKBULCTI-UWVGGRQHSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418006955 386866001 /nfs/dbraw/zinc/86/60/01/386866001.db2.gz QQYHJHWXWYKTAM-GMTAPVOTSA-N 1 3 242.367 0.363 20 0 BCADHO FC1(F)CCNC[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC000334833310 386871892 /nfs/dbraw/zinc/87/18/92/386871892.db2.gz OXXPLKXAMGMBOD-RKDXNWHRSA-N 1 3 219.279 0.325 20 0 BCADHO FC1(F)CCNC[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000334833308 386873055 /nfs/dbraw/zinc/87/30/55/386873055.db2.gz OXXPLKXAMGMBOD-DTWKUNHWSA-N 1 3 219.279 0.325 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N(C)CC[NH3+])CCCN1C ZINC000418009673 386885309 /nfs/dbraw/zinc/88/53/09/386885309.db2.gz UYIWQYBNIRAZBR-ZJUUUORDSA-N 1 3 228.340 0.069 20 0 BCADHO FC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000334851514 386900596 /nfs/dbraw/zinc/90/05/96/386900596.db2.gz DCEIMOAHLXXWMF-LLVKDONJSA-N 1 3 216.300 0.656 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852656 386902006 /nfs/dbraw/zinc/90/20/06/386902006.db2.gz XDEIIEYJVORAAF-NWDGAFQWSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000334852656 386902008 /nfs/dbraw/zinc/90/20/08/386902008.db2.gz XDEIIEYJVORAAF-NWDGAFQWSA-N 1 3 224.348 0.927 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)CN1 ZINC000331893678 386922103 /nfs/dbraw/zinc/92/21/03/386922103.db2.gz RJVZYWVANFOEJY-WCABBAIRSA-N 1 3 240.351 0.116 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331900796 386923303 /nfs/dbraw/zinc/92/33/03/386923303.db2.gz SFRUFWWBJNURCZ-GHMZBOCLSA-N 1 3 239.363 0.618 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368388162 386969999 /nfs/dbraw/zinc/96/99/99/386969999.db2.gz PLJOUUNFVCMIHV-WOPDTQHZSA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368646320 386997303 /nfs/dbraw/zinc/99/73/03/386997303.db2.gz IZQIXNWHOBXIBW-GUBZILKMSA-N 1 3 231.315 0.176 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368645533 386997685 /nfs/dbraw/zinc/99/76/85/386997685.db2.gz GJDRWVLPSGDTCH-ZJUUUORDSA-N 1 3 225.336 0.228 20 0 BCADHO COC[C@@H](CC(C)C)NC[C@H](O)C[NH+](C)C ZINC000336763092 386948469 /nfs/dbraw/zinc/94/84/69/386948469.db2.gz LXQFGKPVMLGAJZ-NEPJUHHUSA-N 1 3 232.368 0.560 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821369 386950428 /nfs/dbraw/zinc/95/04/28/386950428.db2.gz YAEHNNJYBUQUKS-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C1)N(C)C ZINC000126402610 387033781 /nfs/dbraw/zinc/03/37/81/387033781.db2.gz SRLFZJIUQILYHT-VHSXEESVSA-N 1 3 213.325 0.051 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000398998476 387035798 /nfs/dbraw/zinc/03/57/98/387035798.db2.gz BKLDRYRWUGVMHR-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000398998476 387035803 /nfs/dbraw/zinc/03/58/03/387035803.db2.gz BKLDRYRWUGVMHR-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398997404 387037340 /nfs/dbraw/zinc/03/73/40/387037340.db2.gz ATLMNCJNGOLPSY-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398997404 387037344 /nfs/dbraw/zinc/03/73/44/387037344.db2.gz ATLMNCJNGOLPSY-NSHDSACASA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C1CCC1 ZINC000399002977 387039092 /nfs/dbraw/zinc/03/90/92/387039092.db2.gz UNPCSBYJPIQQGV-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C1CCC1 ZINC000399002977 387039095 /nfs/dbraw/zinc/03/90/95/387039095.db2.gz UNPCSBYJPIQQGV-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1NCCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000333706998 387052500 /nfs/dbraw/zinc/05/25/00/387052500.db2.gz RQIHRPROKAAMJF-GARJFASQSA-N 1 3 240.351 0.130 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](N)C1CCC1 ZINC000399085608 387054414 /nfs/dbraw/zinc/05/44/14/387054414.db2.gz RCUVZCWXJNYRQT-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399079619 387054857 /nfs/dbraw/zinc/05/48/57/387054857.db2.gz RGBJSPIUJZSCNR-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1NCCN(C(=O)NC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000333810374 387058325 /nfs/dbraw/zinc/05/83/25/387058325.db2.gz JDQJEGYGZHZDOA-DCAQKATOSA-N 1 3 240.351 0.130 20 0 BCADHO [NH3+]C1(CNC(=O)[C@H]2CNCCC2(F)F)CCC1 ZINC000648108597 387060045 /nfs/dbraw/zinc/06/00/45/387060045.db2.gz AYJLDQODAHZOST-MRVPVSSYSA-N 1 3 247.289 0.229 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)N(C)C1CC1 ZINC000228005597 387059944 /nfs/dbraw/zinc/05/99/44/387059944.db2.gz TYBYVUQANOMUIO-CMPLNLGQSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](CN)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000161999136 387060186 /nfs/dbraw/zinc/06/01/86/387060186.db2.gz TXJNUOVOUWKPJA-VIFPVBQESA-N 1 3 222.288 0.895 20 0 BCADHO C[C@H]1NCCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000333859235 387064468 /nfs/dbraw/zinc/06/44/68/387064468.db2.gz RQIHRPROKAAMJF-VWYCJHECSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1NCCN(C(=O)NCC2([NH3+])CCC2)[C@H]1C ZINC000334933127 387009369 /nfs/dbraw/zinc/00/93/69/387009369.db2.gz UIZPXMLYFYMYJE-ZJUUUORDSA-N 1 3 240.351 0.260 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000334934371 387010634 /nfs/dbraw/zinc/01/06/34/387010634.db2.gz APCOAERMMSLTSL-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000333138461 387018727 /nfs/dbraw/zinc/01/87/27/387018727.db2.gz CRHFCXFVPZVQMZ-ZJUUUORDSA-N 1 3 240.351 0.130 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH+](C)C ZINC000358842177 387021817 /nfs/dbraw/zinc/02/18/17/387021817.db2.gz WQTQURUGMKKYMM-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@@H]1C[C@H](CN2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882570 387025393 /nfs/dbraw/zinc/02/53/93/387025393.db2.gz PKUPXOQWRRPMQA-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CNCCO2)c2ccccc21 ZINC000333890624 387072477 /nfs/dbraw/zinc/07/24/77/387072477.db2.gz YDBNKPLEJUWKTN-GDLCADMTSA-N 1 3 247.342 0.709 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1CCN1CCOCC1 ZINC000111380599 387077972 /nfs/dbraw/zinc/07/79/72/387077972.db2.gz RALICVUTQVIZGI-ZDUSSCGKSA-N 1 3 241.379 0.522 20 0 BCADHO CCN(CCNC(=O)N[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000417427479 387090079 /nfs/dbraw/zinc/09/00/79/387090079.db2.gz JCUVMXKRIYZZJO-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO CCN(CCNC(=O)N[C@@H](C)C[NH3+])C1CC1 ZINC000417434092 387097902 /nfs/dbraw/zinc/09/79/02/387097902.db2.gz WRBRIWQHXRQOTC-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CCN(CCNC(=O)N(C)CC[NH3+])C1CC1 ZINC000417428394 387099170 /nfs/dbraw/zinc/09/91/70/387099170.db2.gz KWULVZBVOBXPRC-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH3+])N(CC)CC ZINC000359429343 387100252 /nfs/dbraw/zinc/10/02/52/387100252.db2.gz RFLSGBYQNVTPTO-MNOVXSKESA-N 1 3 229.368 0.912 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335010055 387104797 /nfs/dbraw/zinc/10/47/97/387104797.db2.gz MIOOEVAKMHKMGM-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO CCN1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000334946374 387108309 /nfs/dbraw/zinc/10/83/09/387108309.db2.gz WUNYXDADIJLCRZ-LLVKDONJSA-N 1 3 240.351 0.086 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000334950428 387114622 /nfs/dbraw/zinc/11/46/22/387114622.db2.gz LHEXOOJTABRGAE-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CCCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070074260 387117092 /nfs/dbraw/zinc/11/70/92/387117092.db2.gz HDSXYVSZZGJDBG-LBPRGKRZSA-N 1 3 241.379 0.964 20 0 BCADHO CCC[NH2+]CCN[C@@H]1CN(CC)C[C@H]1C ZINC000423313497 387152312 /nfs/dbraw/zinc/15/23/12/387152312.db2.gz ULYKANSQSRJLDP-VXGBXAGGSA-N 1 3 213.369 0.916 20 0 BCADHO CCC[NH2+]CCN[C@H](C)C[C@H]1COCCN1 ZINC000423315285 387154143 /nfs/dbraw/zinc/15/41/43/387154143.db2.gz XFGLUKVLQYDWIJ-NEPJUHHUSA-N 1 3 229.368 0.343 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CNCCC1(F)F ZINC000571761354 387163541 /nfs/dbraw/zinc/16/35/41/387163541.db2.gz HOJXMOWAEDKGEE-JGVFFNPUSA-N 1 3 235.278 0.227 20 0 BCADHO CCN1C[C@H]([NH2+]C[C@H](N)C2CC2)[C@@H](C)C1 ZINC000423327478 387170001 /nfs/dbraw/zinc/17/00/01/387170001.db2.gz RQMYRDWBKZLCRY-DLOVCJGASA-N 1 3 211.353 0.654 20 0 BCADHO CC[C@]1(C(=O)NC2CCN(C)CC2)CC[NH2+]C1 ZINC000062890452 387176893 /nfs/dbraw/zinc/17/68/93/387176893.db2.gz QMBWQLFNAQTNCG-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000371261766 387184248 /nfs/dbraw/zinc/18/42/48/387184248.db2.gz CRMCSGUUJVWIQA-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000371261766 387184253 /nfs/dbraw/zinc/18/42/53/387184253.db2.gz CRMCSGUUJVWIQA-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO [NH3+]CCCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973120 387189106 /nfs/dbraw/zinc/18/91/06/387189106.db2.gz FMKRSAOCWOESDD-NSHDSACASA-N 1 3 225.336 0.422 20 0 BCADHO COC[C@H](CC(C)C)NCC1C[NH2+]C1 ZINC000423300081 387133260 /nfs/dbraw/zinc/13/32/60/387133260.db2.gz DETYUNZLLICGLL-NSHDSACASA-N 1 3 200.326 0.857 20 0 BCADHO COC[C@H](CC(C)C)[NH2+]CC1CNC1 ZINC000423300081 387133264 /nfs/dbraw/zinc/13/32/64/387133264.db2.gz DETYUNZLLICGLL-NSHDSACASA-N 1 3 200.326 0.857 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)NCCN(C)C1CC1 ZINC000353109430 387139959 /nfs/dbraw/zinc/13/99/59/387139959.db2.gz GWVNPQYRCOYVQW-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C(N)C(F)(F)F ZINC000353447009 387204807 /nfs/dbraw/zinc/20/48/07/387204807.db2.gz KTVKRJOOLLTZCR-NKWVEPMBSA-N 1 3 241.257 0.332 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CNCC[C@H]1C ZINC000423357126 387207754 /nfs/dbraw/zinc/20/77/54/387207754.db2.gz HUJDKORRHKQFJS-FDYHWXHSSA-N 1 3 241.379 0.341 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423357126 387207760 /nfs/dbraw/zinc/20/77/60/387207760.db2.gz HUJDKORRHKQFJS-FDYHWXHSSA-N 1 3 241.379 0.341 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)OC ZINC000300418291 387208960 /nfs/dbraw/zinc/20/89/60/387208960.db2.gz MVMGRKJPDCPJBB-ZDEQEGDKSA-N 1 3 244.379 0.966 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)OC ZINC000300418291 387208963 /nfs/dbraw/zinc/20/89/63/387208963.db2.gz MVMGRKJPDCPJBB-ZDEQEGDKSA-N 1 3 244.379 0.966 20 0 BCADHO C[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423358472 387210143 /nfs/dbraw/zinc/21/01/43/387210143.db2.gz NKGPZKOINXECST-TUAOUCFPSA-N 1 3 223.364 0.953 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423362030 387214152 /nfs/dbraw/zinc/21/41/52/387214152.db2.gz ARSSPTCPQAEQAF-MDZLAQPJSA-N 1 3 237.347 0.291 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)CN(C)C ZINC000418194059 387214646 /nfs/dbraw/zinc/21/46/46/387214646.db2.gz DQNZXMARLXWWJP-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CCN1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423426304 387252935 /nfs/dbraw/zinc/25/29/35/387252935.db2.gz HPHJOAWTOXFGQH-HHHUOAJASA-N 1 3 209.337 0.134 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+](C)C1CC(O)C1 ZINC000353500963 387218836 /nfs/dbraw/zinc/21/88/36/387218836.db2.gz YXWMGHBFWMVLKX-VOMCLLRMSA-N 1 3 212.337 0.926 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+](C)C1CC(O)C1 ZINC000353500963 387218838 /nfs/dbraw/zinc/21/88/38/387218838.db2.gz YXWMGHBFWMVLKX-VOMCLLRMSA-N 1 3 212.337 0.926 20 0 BCADHO COC[C@@H]([NH2+]C[C@]1(COC)CCCN1)C1CC1 ZINC000423426668 387253222 /nfs/dbraw/zinc/25/32/22/387253222.db2.gz NHBXVZFXCKLBOG-OLZOCXBDSA-N 1 3 242.363 0.770 20 0 BCADHO CCN(C)CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572147851 387244150 /nfs/dbraw/zinc/24/41/50/387244150.db2.gz RNOAMHLDVAQGKX-RYUDHWBXSA-N 1 3 213.369 0.916 20 0 BCADHO C[C@H](CC(C)(C)C)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423416596 387248104 /nfs/dbraw/zinc/24/81/04/387248104.db2.gz FVYSALRJUNSWLP-MXWKQRLJSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CNC[C@@H]1O ZINC000423416596 387248109 /nfs/dbraw/zinc/24/81/09/387248109.db2.gz FVYSALRJUNSWLP-MXWKQRLJSA-N 1 3 214.353 0.981 20 0 BCADHO COC[C@]1(C[NH2+][C@@H](C)[C@@H]2CCCO2)CCCN1 ZINC000423422870 387250612 /nfs/dbraw/zinc/25/06/12/387250612.db2.gz ZIZCFOBBZGDCQN-RWMBFGLXSA-N 1 3 242.363 0.912 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186962 387256291 /nfs/dbraw/zinc/25/62/91/387256291.db2.gz BNAPQZRMZACXIW-IVZWLZJFSA-N 1 3 231.315 0.320 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000423377568 387259522 /nfs/dbraw/zinc/25/95/22/387259522.db2.gz YZHOHFGNCYJXIX-YVECIDJPSA-N 1 3 225.380 0.914 20 0 BCADHO C[C@H]1CN(C)C[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423378772 387260958 /nfs/dbraw/zinc/26/09/58/387260958.db2.gz ZVFUBLCUTNALFJ-QJPTWQEYSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)N(C)C1CC1 ZINC000423385500 387268514 /nfs/dbraw/zinc/26/85/14/387268514.db2.gz QVAWMYLEFDQWGM-CWSCBRNRSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000372120822 387274628 /nfs/dbraw/zinc/27/46/28/387274628.db2.gz FZEPYGMGLSBVQH-MNOVXSKESA-N 1 3 231.315 0.178 20 0 BCADHO O=C(N1CCN2CCC[C@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423392335 387278164 /nfs/dbraw/zinc/27/81/64/387278164.db2.gz QFIYQSPKMRTAHL-MDZLAQPJSA-N 1 3 235.331 0.045 20 0 BCADHO CN1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000572246136 387279510 /nfs/dbraw/zinc/27/95/10/387279510.db2.gz PHCMHIOLXOYVMV-LLVKDONJSA-N 1 3 239.363 0.573 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000514789789 387287474 /nfs/dbraw/zinc/28/74/74/387287474.db2.gz SLAVQAYVLWAXJM-MXWKQRLJSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCCCN1 ZINC000643502233 387364360 /nfs/dbraw/zinc/36/43/60/387364360.db2.gz AQBZTJKMRCHJHK-JHJVBQTASA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)NC[C@H]1CCCC[NH2+]1 ZINC000643502233 387364366 /nfs/dbraw/zinc/36/43/66/387364366.db2.gz AQBZTJKMRCHJHK-JHJVBQTASA-N 1 3 241.379 0.485 20 0 BCADHO COCCN1CC[C@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423544422 387368771 /nfs/dbraw/zinc/36/87/71/387368771.db2.gz CZZUSDIUWYTGML-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373562854 387381615 /nfs/dbraw/zinc/38/16/15/387381615.db2.gz SGDIQZOWZACERJ-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473888 387319852 /nfs/dbraw/zinc/31/98/52/387319852.db2.gz GYIYMBHUGIFJHO-LPEHRKFASA-N 1 3 233.306 0.714 20 0 BCADHO C[NH+](C)CC1CCN([C@@H]2CCNC2=O)CC1 ZINC000336558665 387382399 /nfs/dbraw/zinc/38/23/99/387382399.db2.gz YEKBOTYYFHEFCG-LLVKDONJSA-N 1 3 225.336 0.149 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000372775966 387324527 /nfs/dbraw/zinc/32/45/27/387324527.db2.gz KIVZPSAROWJEEN-GMXVVIOVSA-N 1 3 239.363 0.844 20 0 BCADHO CC[C@H](N)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423479933 387327219 /nfs/dbraw/zinc/32/72/19/387327219.db2.gz VQCVKAFCXLSNMC-JBLDHEPKSA-N 1 3 211.353 0.796 20 0 BCADHO COC[C@H]([NH2+]C[C@H]1CNCCCO1)C(C)C ZINC000423485369 387332184 /nfs/dbraw/zinc/33/21/84/387332184.db2.gz APHYWDZGAGIUMG-NEPJUHHUSA-N 1 3 230.352 0.626 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CCCO2)[C@@H]1C ZINC000423496780 387339269 /nfs/dbraw/zinc/33/92/69/387339269.db2.gz XQHPCCNEDXZULA-WYUUTHIRSA-N 1 3 212.337 0.999 20 0 BCADHO CCC[C@@H](C(=O)NCC[NH2+]CCOC)N(C)C ZINC000423500328 387340662 /nfs/dbraw/zinc/34/06/62/387340662.db2.gz DAOQLUWGVPHWDH-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000423509465 387345073 /nfs/dbraw/zinc/34/50/73/387345073.db2.gz JTALLJGODCXGMZ-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CCC[C@H](C(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000423509472 387346174 /nfs/dbraw/zinc/34/61/74/387346174.db2.gz JTALLJGODCXGMZ-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO C[NH+](C)CCC1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000361296098 387433542 /nfs/dbraw/zinc/43/35/42/387433542.db2.gz IRZGWYGIZJYGOF-STQMWFEESA-N 1 3 242.363 0.410 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423837567 387435041 /nfs/dbraw/zinc/43/50/41/387435041.db2.gz AOPWKGNJTWYTTQ-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000423842126 387435428 /nfs/dbraw/zinc/43/54/28/387435428.db2.gz GMEZCGOUEPJXPD-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)CCN(C)C1CC1 ZINC000423855060 387436437 /nfs/dbraw/zinc/43/64/37/387436437.db2.gz WNMONYOKIASBCG-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000423855439 387436612 /nfs/dbraw/zinc/43/66/12/387436612.db2.gz XDQMMDZVLJUPOH-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000423852548 387437121 /nfs/dbraw/zinc/43/71/21/387437121.db2.gz SIXVNFMGUQQADI-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423855962 387437348 /nfs/dbraw/zinc/43/73/48/387437348.db2.gz XPQYDQDMXQAXFW-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[NH+](C)CC1CCN([C@H]2COC[C@@H]2O)CC1 ZINC000304207810 387447047 /nfs/dbraw/zinc/44/70/47/387447047.db2.gz DHCXZLSCHUZIMS-RYUDHWBXSA-N 1 3 228.336 0.020 20 0 BCADHO O=C(CC1CC[NH2+]CC1)N1CCCNCC1 ZINC000038075088 387450326 /nfs/dbraw/zinc/45/03/26/387450326.db2.gz BWCGRGYUFGJGEW-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000423971791 387459013 /nfs/dbraw/zinc/45/90/13/387459013.db2.gz HKBNZTWGCVWLFK-GARJFASQSA-N 1 3 227.352 0.378 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000423592430 387385845 /nfs/dbraw/zinc/38/58/45/387385845.db2.gz KPXRSGSWQOWPPL-SDDRHHMPSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(C)C ZINC000423971793 387459929 /nfs/dbraw/zinc/45/99/29/387459929.db2.gz HKBNZTWGCVWLFK-GMTAPVOTSA-N 1 3 227.352 0.378 20 0 BCADHO CCC[C@H](C(=O)NC[C@H](C)[NH2+]C)N(C)C ZINC000423625429 387389394 /nfs/dbraw/zinc/38/93/94/387389394.db2.gz FPWBQVCSXYTWIU-VHSXEESVSA-N 1 3 215.341 0.441 20 0 BCADHO C[C@@H](NC(=O)C1CCN(C)CC1)[C@H](C)[NH3+] ZINC000572402452 387399150 /nfs/dbraw/zinc/39/91/50/387399150.db2.gz NIVXMZSJNUTESD-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(C)CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373860255 387399607 /nfs/dbraw/zinc/39/96/07/387399607.db2.gz SAYNDEVTJBEFFE-DGCLKSJQSA-N 1 3 239.363 0.444 20 0 BCADHO COCCN(CCN(C)C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000423750628 387409358 /nfs/dbraw/zinc/40/93/58/387409358.db2.gz XWSMLRWXWXDIII-MNOVXSKESA-N 1 3 245.367 0.006 20 0 BCADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)N ZINC000423769990 387418547 /nfs/dbraw/zinc/41/85/47/387418547.db2.gz GSPXXSMGUOXOFC-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](C)N ZINC000423769990 387418551 /nfs/dbraw/zinc/41/85/51/387418551.db2.gz GSPXXSMGUOXOFC-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO CN(C)CCN(C(=O)CCC[NH3+])C1CC1 ZINC000516463180 387512649 /nfs/dbraw/zinc/51/26/49/387512649.db2.gz UHMRZLVRUFAGOW-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CCN(C)C ZINC000516968337 387520457 /nfs/dbraw/zinc/52/04/57/387520457.db2.gz AMBUEHWQUGGPMQ-UWVGGRQHSA-N 1 3 230.356 0.315 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424007343 387465785 /nfs/dbraw/zinc/46/57/85/387465785.db2.gz VGRGZBPXHCQTEH-NEPJUHHUSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC[NH3+] ZINC000424013441 387466919 /nfs/dbraw/zinc/46/69/19/387466919.db2.gz WKJLVVLUUJACFJ-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000516183020 387468953 /nfs/dbraw/zinc/46/89/53/387468953.db2.gz DXEVEOAMMUCWCN-OPRDCNLKSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]1C[C@@H](NCC[NH2+]C2CC2)CN1C1CC1 ZINC000643507035 387474136 /nfs/dbraw/zinc/47/41/36/387474136.db2.gz QHDRALUKWTWPNE-ZYHUDNBSSA-N 1 3 223.364 0.953 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000374630510 387475707 /nfs/dbraw/zinc/47/57/07/387475707.db2.gz KPPRIRIKIMTQJT-LPEHRKFASA-N 1 3 223.320 0.064 20 0 BCADHO CCNC(=O)CN(CC)CC[C@@H]1CC[NH2+]C1 ZINC000396743060 387487915 /nfs/dbraw/zinc/48/79/15/387487915.db2.gz UJIYVQQKLFPUKQ-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@H](N[C@H]1CCN(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000400736004 387595059 /nfs/dbraw/zinc/59/50/59/387595059.db2.gz RSALLRSFYKULGN-GVXVVHGQSA-N 1 3 223.364 0.953 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NC)C1 ZINC000362398556 387607657 /nfs/dbraw/zinc/60/76/57/387607657.db2.gz UFMHVZNZUJQTQB-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NC)C1 ZINC000362398556 387607660 /nfs/dbraw/zinc/60/76/60/387607660.db2.gz UFMHVZNZUJQTQB-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1C[C@H](F)CN1 ZINC000376254120 387615040 /nfs/dbraw/zinc/61/50/40/387615040.db2.gz OLAUFZGZWLFEDI-DTWKUNHWSA-N 1 3 231.315 0.130 20 0 BCADHO CN(CCN[C@H]1CCC[C@H]1[NH3+])CC(F)(F)F ZINC000422702238 387618633 /nfs/dbraw/zinc/61/86/33/387618633.db2.gz DPVPSBKRJROYRX-BDAKNGLRSA-N 1 3 239.285 0.950 20 0 BCADHO C[C@H](CNC(=O)CC1CCN(C)CC1)[NH+](C)C ZINC000362492861 387618859 /nfs/dbraw/zinc/61/88/59/387618859.db2.gz PWDWYHKYHHFDCT-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC000362492861 387618864 /nfs/dbraw/zinc/61/88/64/387618864.db2.gz PWDWYHKYHHFDCT-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1COCCO1)[C@H]1CCCCN1 ZINC000422708556 387622451 /nfs/dbraw/zinc/62/24/51/387622451.db2.gz JDQQBVMYAYVZEV-IJLUTSLNSA-N 1 3 228.336 0.522 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)C)[C@H](C)[NH3+] ZINC000399554376 387555694 /nfs/dbraw/zinc/55/56/94/387555694.db2.gz ASSUZFTUXRDIOI-DCAQKATOSA-N 1 3 229.368 0.672 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000036871592 387556807 /nfs/dbraw/zinc/55/68/07/387556807.db2.gz OXLCPTGVJUFLNZ-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000426347158 387558196 /nfs/dbraw/zinc/55/81/96/387558196.db2.gz RZTVJVGCYJJCAR-QCNOEVLYSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC(CC[NH+](C)C)CC1 ZINC000355754381 387577692 /nfs/dbraw/zinc/57/76/92/387577692.db2.gz SUWSDMULFBOKJH-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1NCCN1CCSCC1 ZINC000422718380 387631708 /nfs/dbraw/zinc/63/17/08/387631708.db2.gz XCOHFMYTCLFODP-GHMZBOCLSA-N 1 3 229.393 0.505 20 0 BCADHO CC[C@H](C)[C@H](O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422719477 387632527 /nfs/dbraw/zinc/63/25/27/387632527.db2.gz YGAAFWSSAGWNIW-UKKRHICBSA-N 1 3 200.326 0.863 20 0 BCADHO C[NH2+]CCCNC(=O)C12CCCN1CCC2 ZINC000422735284 387644013 /nfs/dbraw/zinc/64/40/13/387644013.db2.gz VUQIOGZWVWRGNR-UHFFFAOYSA-N 1 3 225.336 0.341 20 0 BCADHO COC[C@](C)(CCO)NCC[C@H]1CCC[N@@H+]1C ZINC000125181755 387645222 /nfs/dbraw/zinc/64/52/22/387645222.db2.gz PVDJRJMRUIUHRJ-OLZOCXBDSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@](C)(CCO)NCC[C@H]1CCC[N@H+]1C ZINC000125181755 387645227 /nfs/dbraw/zinc/64/52/27/387645227.db2.gz PVDJRJMRUIUHRJ-OLZOCXBDSA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@](C)(CCO)[NH2+]CC[C@H]1CCCN1C ZINC000125181755 387645232 /nfs/dbraw/zinc/64/52/32/387645232.db2.gz PVDJRJMRUIUHRJ-OLZOCXBDSA-N 1 3 244.379 0.848 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1N)N(C)C1CC1 ZINC000422738354 387645258 /nfs/dbraw/zinc/64/52/58/387645258.db2.gz JOIBROQQBKTSFF-ADEWGFFLSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1N)N(C)C1CC1 ZINC000422738358 387646746 /nfs/dbraw/zinc/64/67/46/387646746.db2.gz JOIBROQQBKTSFF-YUSALJHKSA-N 1 3 211.353 0.939 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000430739474 387647638 /nfs/dbraw/zinc/64/76/38/387647638.db2.gz HMZYIDYEKRSSII-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000430739474 387647641 /nfs/dbraw/zinc/64/76/41/387647641.db2.gz HMZYIDYEKRSSII-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CN ZINC000430772645 387650207 /nfs/dbraw/zinc/65/02/07/387650207.db2.gz CIDZKZSKHQOCIU-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000430782386 387652628 /nfs/dbraw/zinc/65/26/28/387652628.db2.gz IKYNDNUDLLEAKS-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000430782386 387652632 /nfs/dbraw/zinc/65/26/32/387652632.db2.gz IKYNDNUDLLEAKS-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO CN(C(=O)CC[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000430901036 387659194 /nfs/dbraw/zinc/65/91/94/387659194.db2.gz RWQVXNBMDKWMPR-SNVBAGLBSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@H]1CN(CCCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000430919580 387659750 /nfs/dbraw/zinc/65/97/50/387659750.db2.gz LRJNCNGQJAOXFF-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@]1(F)CCNC1 ZINC000376789436 387669854 /nfs/dbraw/zinc/66/98/54/387669854.db2.gz HZQIXFGPDISOGU-CMPLNLGQSA-N 1 3 245.342 0.520 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000431014722 387670254 /nfs/dbraw/zinc/67/02/54/387670254.db2.gz LDFRRBXYLHEUAT-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019072 387670750 /nfs/dbraw/zinc/67/07/50/387670750.db2.gz KPMGYJUXPFQRJC-ONGXEEELSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000431014720 387670804 /nfs/dbraw/zinc/67/08/04/387670804.db2.gz LDFRRBXYLHEUAT-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424138564 387672108 /nfs/dbraw/zinc/67/21/08/387672108.db2.gz DGCJQGRONRICKW-YTWAJWBKSA-N 1 3 225.336 0.275 20 0 BCADHO c1ncn(CCN2CCC3(CC[NH2+]C3)CC2)n1 ZINC000431036239 387673184 /nfs/dbraw/zinc/67/31/84/387673184.db2.gz IGRIZXCPYNWBJR-UHFFFAOYSA-N 1 3 235.335 0.354 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000431032259 387673400 /nfs/dbraw/zinc/67/34/00/387673400.db2.gz ILQMUVYMCQHWCY-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000431032259 387673402 /nfs/dbraw/zinc/67/34/02/387673402.db2.gz ILQMUVYMCQHWCY-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](N)CC1CCCCC1 ZINC000422776222 387673427 /nfs/dbraw/zinc/67/34/27/387673427.db2.gz CHSPKKGKACDZMW-LLVKDONJSA-N 1 3 227.352 0.620 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000356568758 387674325 /nfs/dbraw/zinc/67/43/25/387674325.db2.gz KLKIIJAXBYOORH-NSHDSACASA-N 1 3 241.379 0.737 20 0 BCADHO CCC[C@@H](C(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000422782867 387681403 /nfs/dbraw/zinc/68/14/03/387681403.db2.gz NOIHAIPSEOERHE-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO COCCCN(C)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422786550 387687043 /nfs/dbraw/zinc/68/70/43/387687043.db2.gz SMAFJRYAVKQAPL-STQMWFEESA-N 1 3 243.395 0.542 20 0 BCADHO CCC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000422865266 387747125 /nfs/dbraw/zinc/74/71/25/387747125.db2.gz XLVSDCZOHGKGOP-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](CCO)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422871472 387748444 /nfs/dbraw/zinc/74/84/44/387748444.db2.gz YZPFMBUKCOGNLH-UTUOFQBUSA-N 1 3 214.353 0.983 20 0 BCADHO N[C@@H](CNC(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC000422800126 387699872 /nfs/dbraw/zinc/69/98/72/387699872.db2.gz AVLLDPBSLJXBQL-LBPRGKRZSA-N 1 3 247.342 0.932 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114399999 387703447 /nfs/dbraw/zinc/70/34/47/387703447.db2.gz ASQZUGVSBBJHDT-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CC1(C(=O)NC[C@@H](N)c2ccccc2)C[NH2+]C1 ZINC000422808038 387705091 /nfs/dbraw/zinc/70/50/91/387705091.db2.gz PWHATHKDDNCUJP-LLVKDONJSA-N 1 3 233.315 0.412 20 0 BCADHO COC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127336694 387710801 /nfs/dbraw/zinc/71/08/01/387710801.db2.gz VQLCFBYGTNJVSP-SDDRHHMPSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127336694 387710805 /nfs/dbraw/zinc/71/08/05/387710805.db2.gz VQLCFBYGTNJVSP-SDDRHHMPSA-N 1 3 230.352 0.408 20 0 BCADHO CC[C@H](C(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000629614105 387714160 /nfs/dbraw/zinc/71/41/60/387714160.db2.gz YIOZXAFMIPKRES-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[C@@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000422820382 387716488 /nfs/dbraw/zinc/71/64/88/387716488.db2.gz QGTOLAODEUSQAR-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO CN(C)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431619110 387721500 /nfs/dbraw/zinc/72/15/00/387721500.db2.gz FSIGCXNUZWXPAK-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CN(C)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431619110 387721505 /nfs/dbraw/zinc/72/15/05/387721505.db2.gz FSIGCXNUZWXPAK-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000377561358 387727583 /nfs/dbraw/zinc/72/75/83/387727583.db2.gz HHEMNJKRJVMOOC-IRCOFANPSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C(C)C)N(C)C ZINC000157074773 387728414 /nfs/dbraw/zinc/72/84/14/387728414.db2.gz PQEHNSGYEGYAFQ-WDEREUQCSA-N 1 3 229.368 0.672 20 0 BCADHO C[C@H](O)C[C@H](C)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000422789517 387732922 /nfs/dbraw/zinc/73/29/22/387732922.db2.gz TYZSXDXIFXXUQX-USZNOCQGSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000422848607 387734827 /nfs/dbraw/zinc/73/48/27/387734827.db2.gz AXYINMFMNVBZLU-MXWKQRLJSA-N 1 3 209.337 0.563 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367644232 387738550 /nfs/dbraw/zinc/73/85/50/387738550.db2.gz SHFTYHZHDCYTCB-MRVPVSSYSA-N 1 3 234.303 0.261 20 0 BCADHO CCC[C@](C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000378182642 387768708 /nfs/dbraw/zinc/76/87/08/387768708.db2.gz LJRXDNHZQCQWJQ-LMSJBEHQSA-N 1 3 239.363 0.903 20 0 BCADHO CC[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378171304 387769487 /nfs/dbraw/zinc/76/94/87/387769487.db2.gz QKHGVBBFIQHKQA-NSHDSACASA-N 1 3 225.336 0.467 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)[C@H]2CCCO2)CC1 ZINC000527949197 387783435 /nfs/dbraw/zinc/78/34/35/387783435.db2.gz FYQFUQMHKBUTOO-QWHCGFSZSA-N 1 3 242.363 0.600 20 0 BCADHO CC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424148293 387786803 /nfs/dbraw/zinc/78/68/03/387786803.db2.gz UDRJUTCFFZIGFS-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000422978407 387788228 /nfs/dbraw/zinc/78/82/28/387788228.db2.gz ZJQPCHWYWRBXPX-UPJWGTAASA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422978407 387788234 /nfs/dbraw/zinc/78/82/34/387788234.db2.gz ZJQPCHWYWRBXPX-UPJWGTAASA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000422978409 387788690 /nfs/dbraw/zinc/78/86/90/387788690.db2.gz ZJQPCHWYWRBXPX-YNEHKIRRSA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422978409 387788693 /nfs/dbraw/zinc/78/86/93/387788693.db2.gz ZJQPCHWYWRBXPX-YNEHKIRRSA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000422986590 387795066 /nfs/dbraw/zinc/79/50/66/387795066.db2.gz CVCFFVQEUZNTRO-QJPTWQEYSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422986590 387795067 /nfs/dbraw/zinc/79/50/67/387795067.db2.gz CVCFFVQEUZNTRO-QJPTWQEYSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000422986591 387795422 /nfs/dbraw/zinc/79/54/22/387795422.db2.gz CVCFFVQEUZNTRO-SDDRHHMPSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](O)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422986591 387795425 /nfs/dbraw/zinc/79/54/25/387795425.db2.gz CVCFFVQEUZNTRO-SDDRHHMPSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000422986588 387796619 /nfs/dbraw/zinc/79/66/19/387796619.db2.gz CVCFFVQEUZNTRO-GRYCIOLGSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422986588 387796620 /nfs/dbraw/zinc/79/66/20/387796620.db2.gz CVCFFVQEUZNTRO-GRYCIOLGSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442613137 387807487 /nfs/dbraw/zinc/80/74/87/387807487.db2.gz AUVFBAKZIGLTLJ-WOPDTQHZSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442616244 387807504 /nfs/dbraw/zinc/80/75/04/387807504.db2.gz AUVFBAKZIGLTLJ-SDDRHHMPSA-N 1 3 241.379 0.947 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000422974955 387824594 /nfs/dbraw/zinc/82/45/94/387824594.db2.gz FSYFIDVNRPTAIY-XFWSIPNHSA-N 1 3 220.382 0.814 20 0 BCADHO C[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000423007386 387829435 /nfs/dbraw/zinc/82/94/35/387829435.db2.gz QPFLKGQDLBDNEW-GMTAPVOTSA-N 1 3 200.326 0.593 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCC(C)(C)CCO ZINC000423008953 387831322 /nfs/dbraw/zinc/83/13/22/387831322.db2.gz UXDTYQQPPDBUAA-MNOVXSKESA-N 1 3 214.353 0.983 20 0 BCADHO CC[C@H](NCCOCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000423072857 387873288 /nfs/dbraw/zinc/87/32/88/387873288.db2.gz QDVUCOOEBUHNII-STQMWFEESA-N 1 3 243.395 0.685 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160762 387839663 /nfs/dbraw/zinc/83/96/63/387839663.db2.gz UPAJEBBNTMWIGX-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO N[C@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000424160961 387841554 /nfs/dbraw/zinc/84/15/54/387841554.db2.gz BBIULQFMPOWJEO-DBIOUOCHSA-N 1 3 225.336 0.215 20 0 BCADHO CO[C@H](C)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423061904 387868005 /nfs/dbraw/zinc/86/80/05/387868005.db2.gz RWNLYSSEJXSWQK-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423061904 387868006 /nfs/dbraw/zinc/86/80/06/387868006.db2.gz RWNLYSSEJXSWQK-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000154394077 387897603 /nfs/dbraw/zinc/89/76/03/387897603.db2.gz GAGUSUDQONWLQI-VHSXEESVSA-N 1 3 213.325 0.454 20 0 BCADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538659 387878267 /nfs/dbraw/zinc/87/82/67/387878267.db2.gz QYBPMWUVBVQBAT-NNYUYHANSA-N 1 3 229.343 0.936 20 0 BCADHO CC[C@@H]1CN(CCN[C@H](C)C[C@H](C)[NH3+])CCO1 ZINC000423085078 387879493 /nfs/dbraw/zinc/87/94/93/387879493.db2.gz JGDUDHLDGJNAAU-YNEHKIRRSA-N 1 3 243.395 0.813 20 0 BCADHO CC[C@@H]1CN(CCN[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423086209 387880981 /nfs/dbraw/zinc/88/09/81/387880981.db2.gz LQHQNGCYGKSGKM-FRRDWIJNSA-N 1 3 241.379 0.567 20 0 BCADHO CCOC(=O)C1([C@H](C)NCCF)CC[NH2+]CC1 ZINC000423093254 387882547 /nfs/dbraw/zinc/88/25/47/387882547.db2.gz GTJAQCAGASPINZ-JTQLQIEISA-N 1 3 246.326 0.867 20 0 BCADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424190513 387904545 /nfs/dbraw/zinc/90/45/45/387904545.db2.gz MMDFULHSVHLKLY-OLZOCXBDSA-N 1 3 247.342 0.712 20 0 BCADHO CCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236840696 387908413 /nfs/dbraw/zinc/90/84/13/387908413.db2.gz KBYNAYARIRUSBR-IXMYILBSSA-N 1 3 225.336 0.513 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131531 387909451 /nfs/dbraw/zinc/90/94/51/387909451.db2.gz OBONBMMTLOZYBT-NDBYEHHHSA-N 1 3 242.363 0.633 20 0 BCADHO CCC[C@@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000236945367 387913098 /nfs/dbraw/zinc/91/30/98/387913098.db2.gz GRINEVBNOZFNKF-LLVKDONJSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000236945367 387913101 /nfs/dbraw/zinc/91/31/01/387913101.db2.gz GRINEVBNOZFNKF-LLVKDONJSA-N 1 3 229.368 0.960 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000237799595 387929509 /nfs/dbraw/zinc/92/95/09/387929509.db2.gz QYYDBJPUJINZCO-LLVKDONJSA-N 1 3 239.363 0.764 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423145560 387922046 /nfs/dbraw/zinc/92/20/46/387922046.db2.gz LHCVAPUITFHZBY-YNEHKIRRSA-N 1 3 244.379 0.881 20 0 BCADHO CN(C)[C@@H](CNC(=O)CC[NH3+])Cc1ccccc1 ZINC000237135709 387923416 /nfs/dbraw/zinc/92/34/16/387923416.db2.gz AVRJWRQNPLFRDH-CYBMUJFWSA-N 1 3 249.358 0.624 20 0 BCADHO CCC[C@H](CN[C@H](C)C1C[NH2+]C1)OC ZINC000423147634 387925199 /nfs/dbraw/zinc/92/51/99/387925199.db2.gz SLUWTVYPUMNGHQ-MWLCHTKSSA-N 1 3 200.326 0.999 20 0 BCADHO CCC[C@H](C[NH2+][C@H](C)C1CNC1)OC ZINC000423147634 387925204 /nfs/dbraw/zinc/92/52/04/387925204.db2.gz SLUWTVYPUMNGHQ-MWLCHTKSSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1CCCCN1CCO ZINC000423149579 387927157 /nfs/dbraw/zinc/92/71/57/387927157.db2.gz XUPNWBODHGOJFY-RWMBFGLXSA-N 1 3 243.395 0.549 20 0 BCADHO CC[C@@H](C(=O)NCC1([NH+](C)C)CCC1)N(C)C ZINC000438522407 387940900 /nfs/dbraw/zinc/94/09/00/387940900.db2.gz CZVBKZHQVGHUMI-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[C@H]1O ZINC000423163611 387946704 /nfs/dbraw/zinc/94/67/04/387946704.db2.gz MZQQMJLIHAPEBA-FIQHERPVSA-N 1 3 212.337 0.735 20 0 BCADHO CCN1C[C@H](C)[C@H](NC2CC[NH2+]CC2)C1 ZINC000423185895 387970605 /nfs/dbraw/zinc/97/06/05/387970605.db2.gz NUUPLMWZJGSOAO-CMPLNLGQSA-N 1 3 211.353 0.668 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423194364 387979501 /nfs/dbraw/zinc/97/95/01/387979501.db2.gz RIFYWLYSTIMCIR-QJPTWQEYSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423190085 387975880 /nfs/dbraw/zinc/97/58/80/387975880.db2.gz NKGPZKOINXECST-GRYCIOLGSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423190086 387976303 /nfs/dbraw/zinc/97/63/03/387976303.db2.gz NKGPZKOINXECST-IJLUTSLNSA-N 1 3 223.364 0.953 20 0 BCADHO FC1(F)CNCC[C@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000424364196 387990371 /nfs/dbraw/zinc/99/03/71/387990371.db2.gz DBFFKPOVKTZIID-QWRGUYRKSA-N 1 3 247.333 0.820 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+]C[C@H]1CCCNC1 ZINC000424364196 387990374 /nfs/dbraw/zinc/99/03/74/387990374.db2.gz DBFFKPOVKTZIID-QWRGUYRKSA-N 1 3 247.333 0.820 20 0 BCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccco1 ZINC000423205312 387991461 /nfs/dbraw/zinc/99/14/61/387991461.db2.gz PCDSXINENPILAT-LLVKDONJSA-N 1 3 223.320 0.835 20 0 BCADHO C[C@@H](Cc1ccoc1)NC[C@H](O)C[NH+](C)C ZINC000453095020 387982399 /nfs/dbraw/zinc/98/23/99/387982399.db2.gz GUTBMLKJSXNXIV-JQWIXIFHSA-N 1 3 226.320 0.723 20 0 BCADHO C[C@H](Cc1ccoc1)NC[C@H](O)C[NH+](C)C ZINC000453095022 387982744 /nfs/dbraw/zinc/98/27/44/387982744.db2.gz GUTBMLKJSXNXIV-PWSUYJOCSA-N 1 3 226.320 0.723 20 0 BCADHO CC(C)(N)C[NH2+]C[C@@H]1CCNCC1(F)F ZINC000424374143 387999453 /nfs/dbraw/zinc/99/94/53/387999453.db2.gz YQCWBYWNASYSOK-QMMMGPOBSA-N 1 3 221.295 0.558 20 0 BCADHO CC(C)([NH3+])CNC[C@@H]1CCNCC1(F)F ZINC000424374143 387999458 /nfs/dbraw/zinc/99/94/58/387999458.db2.gz YQCWBYWNASYSOK-QMMMGPOBSA-N 1 3 221.295 0.558 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423222221 388001528 /nfs/dbraw/zinc/00/15/28/388001528.db2.gz AGGZSVGZUHACJC-HBNTYKKESA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423222220 388002434 /nfs/dbraw/zinc/00/24/34/388002434.db2.gz AGGZSVGZUHACJC-GARJFASQSA-N 1 3 211.353 0.939 20 0 BCADHO C(N[C@H](C1CC1)[C@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423234641 388018178 /nfs/dbraw/zinc/01/81/78/388018178.db2.gz MFNJDYAXWDZQRA-YNEHKIRRSA-N 1 3 239.363 0.095 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257205 388019518 /nfs/dbraw/zinc/01/95/18/388019518.db2.gz CXGXMNBAPXYCGX-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257205 388019522 /nfs/dbraw/zinc/01/95/22/388019522.db2.gz CXGXMNBAPXYCGX-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]CCN[C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423249467 388032384 /nfs/dbraw/zinc/03/23/84/388032384.db2.gz SEHQMCXGAJOIEV-HBNTYKKESA-N 1 3 228.336 0.773 20 0 BCADHO CC[NH2+]CCN[C@@H]1CN(C2CC2)C[C@H]1C ZINC000423252690 388036039 /nfs/dbraw/zinc/03/60/39/388036039.db2.gz YAPFMJFYFWWYCU-ZYHUDNBSSA-N 1 3 211.353 0.668 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423256202 388037239 /nfs/dbraw/zinc/03/72/39/388037239.db2.gz BMMSIJQCHRXKFI-DRZSPHRISA-N 1 3 241.379 0.199 20 0 BCADHO CNCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000440581909 388056932 /nfs/dbraw/zinc/05/69/32/388056932.db2.gz SRDBCYHNHXWNFU-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CNCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000440581909 388056934 /nfs/dbraw/zinc/05/69/34/388056934.db2.gz SRDBCYHNHXWNFU-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)N ZINC000423286470 388071694 /nfs/dbraw/zinc/07/16/94/388071694.db2.gz HOALSQHSCUDTSM-ONGXEEELSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286470 388071696 /nfs/dbraw/zinc/07/16/96/388071696.db2.gz HOALSQHSCUDTSM-ONGXEEELSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC(C)(C)N ZINC000423286468 388071876 /nfs/dbraw/zinc/07/18/76/388071876.db2.gz HOALSQHSCUDTSM-KOLCDFICSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCC(C)(C)[NH3+] ZINC000423286468 388071880 /nfs/dbraw/zinc/07/18/80/388071880.db2.gz HOALSQHSCUDTSM-KOLCDFICSA-N 1 3 211.353 0.796 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000447507668 388074506 /nfs/dbraw/zinc/07/45/06/388074506.db2.gz ILSLYOSNLJWUTC-UTUOFQBUSA-N 1 3 241.379 0.829 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000447518317 388074651 /nfs/dbraw/zinc/07/46/51/388074651.db2.gz NOPSEHKJKZRKSY-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000447518316 388074659 /nfs/dbraw/zinc/07/46/59/388074659.db2.gz NOPSEHKJKZRKSY-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCOC1 ZINC000447598153 388081468 /nfs/dbraw/zinc/08/14/68/388081468.db2.gz UOKLKBSLBKFDRW-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C)CC2)CC[N@@H+]1C ZINC000648718259 388104884 /nfs/dbraw/zinc/10/48/84/388104884.db2.gz ZJMIZQYJNSLQCZ-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC2CCN(C)CC2)CC[N@H+]1C ZINC000648718259 388104886 /nfs/dbraw/zinc/10/48/86/388104886.db2.gz ZJMIZQYJNSLQCZ-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000646216792 388167121 /nfs/dbraw/zinc/16/71/21/388167121.db2.gz XTAHQCBEMHMXRG-MMWGEVLESA-N 1 3 242.367 0.504 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000449328428 388173375 /nfs/dbraw/zinc/17/33/75/388173375.db2.gz JHYQNOYDIRNEAD-JOYOIKCWSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC1CC1 ZINC000646012790 388124120 /nfs/dbraw/zinc/12/41/20/388124120.db2.gz YLLGGHFJNOYBDO-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CO[C@@H]1COC[C@H]1[NH2+]CC[C@@H]1CCCCN1C ZINC000646042438 388131134 /nfs/dbraw/zinc/13/11/34/388131134.db2.gz WNBRFNUAVLPLCR-YNEHKIRRSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCCN2CCCC2)CC[N@@H+]1C ZINC000648718911 388133042 /nfs/dbraw/zinc/13/30/42/388133042.db2.gz KQQAXPMOZVIBSM-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCCN2CCCC2)CC[N@H+]1C ZINC000648718911 388133045 /nfs/dbraw/zinc/13/30/45/388133045.db2.gz KQQAXPMOZVIBSM-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](O)CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105847 388143799 /nfs/dbraw/zinc/14/37/99/388143799.db2.gz JRBZUKNBDPZHMS-LBPRGKRZSA-N 1 3 242.363 0.554 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000449117458 388144416 /nfs/dbraw/zinc/14/44/16/388144416.db2.gz UPHDAANRDIVGGQ-BBBLOLIVSA-N 1 3 225.336 0.336 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN(C)CC ZINC000449120238 388145385 /nfs/dbraw/zinc/14/53/85/388145385.db2.gz CJYSRRKYMYLQGG-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000449122429 388145483 /nfs/dbraw/zinc/14/54/83/388145483.db2.gz LIXULBJNKNHSRD-QXEWZRGKSA-N 1 3 225.336 0.371 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](C)NC1CC1 ZINC000449131933 388147045 /nfs/dbraw/zinc/14/70/45/388147045.db2.gz QLCSRBKVIOZBOR-SECBINFHSA-N 1 3 227.352 0.761 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000449148486 388149396 /nfs/dbraw/zinc/14/93/96/388149396.db2.gz TWVMDNAFDHJIBU-IJLUTSLNSA-N 1 3 241.379 0.973 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000449175333 388153487 /nfs/dbraw/zinc/15/34/87/388153487.db2.gz JRLNBYQMPFNEIH-OUAUKWLOSA-N 1 3 227.352 0.583 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000449661071 388249566 /nfs/dbraw/zinc/24/95/66/388249566.db2.gz ZAMNIGUKKGZCCA-SCZZXKLOSA-N 1 3 249.305 0.617 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449668851 388251103 /nfs/dbraw/zinc/25/11/03/388251103.db2.gz USIRTMIPCSVCRE-IUCAKERBSA-N 1 3 249.305 0.488 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449668849 388251176 /nfs/dbraw/zinc/25/11/76/388251176.db2.gz USIRTMIPCSVCRE-DTWKUNHWSA-N 1 3 249.305 0.488 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646320690 388221671 /nfs/dbraw/zinc/22/16/71/388221671.db2.gz YOVRHEGKDGQQHY-MFKMUULPSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000449572283 388235614 /nfs/dbraw/zinc/23/56/14/388235614.db2.gz MXVVUZKMXVSIQS-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000449572285 388236283 /nfs/dbraw/zinc/23/62/83/388236283.db2.gz MXVVUZKMXVSIQS-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO C[NH+](C)CCNC(=O)[C@H]1CCCN1C1CC1 ZINC000490456458 388239355 /nfs/dbraw/zinc/23/93/55/388239355.db2.gz ZXYDIWSJCXTRNQ-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CC(C)C ZINC000449596678 388239351 /nfs/dbraw/zinc/23/93/51/388239351.db2.gz BZQFCXNTWXDWDE-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N(C)C ZINC000449605910 388240757 /nfs/dbraw/zinc/24/07/57/388240757.db2.gz XHKGTFPDGFIANV-LPEHRKFASA-N 1 3 215.341 0.425 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449608735 388241194 /nfs/dbraw/zinc/24/11/94/388241194.db2.gz JTVDGLCODNAFMX-RNJXMRFFSA-N 1 3 237.294 0.459 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449608734 388241285 /nfs/dbraw/zinc/24/12/85/388241285.db2.gz JTVDGLCODNAFMX-FXQIFTODSA-N 1 3 237.294 0.459 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC000449608566 388241507 /nfs/dbraw/zinc/24/15/07/388241507.db2.gz IKABFTBXTUWDAO-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)CN(CC)CC ZINC000449611384 388242535 /nfs/dbraw/zinc/24/25/35/388242535.db2.gz VLCUQDCAAVMMBS-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCN(CC)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449617779 388244306 /nfs/dbraw/zinc/24/43/06/388244306.db2.gz ALRTVBUCAUGBGF-MRVPVSSYSA-N 1 3 237.294 0.427 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449624863 388245230 /nfs/dbraw/zinc/24/52/30/388245230.db2.gz NZHWTHBZVGHDJY-HTQZYQBOSA-N 1 3 237.294 0.603 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449631498 388246490 /nfs/dbraw/zinc/24/64/90/388246490.db2.gz KYKXRZJEKXCUOR-SRVKXCTJSA-N 1 3 241.379 0.994 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449645162 388247745 /nfs/dbraw/zinc/24/77/45/388247745.db2.gz LGJPCIGXFIDRPZ-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000491864692 388325230 /nfs/dbraw/zinc/32/52/30/388325230.db2.gz GSCSVKGKAKYIRE-FOQNGQEVSA-N 1 3 239.363 0.561 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000491869757 388325560 /nfs/dbraw/zinc/32/55/60/388325560.db2.gz NLIDYCWPODPNJP-HWPRWLFBSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000491869757 388325561 /nfs/dbraw/zinc/32/55/61/388325561.db2.gz NLIDYCWPODPNJP-HWPRWLFBSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000491880166 388325869 /nfs/dbraw/zinc/32/58/69/388325869.db2.gz BZISLKLBPTZCTI-DOGVGXBMSA-N 1 3 225.336 0.172 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000491880166 388325870 /nfs/dbraw/zinc/32/58/70/388325870.db2.gz BZISLKLBPTZCTI-DOGVGXBMSA-N 1 3 225.336 0.172 20 0 BCADHO CN1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491883834 388326227 /nfs/dbraw/zinc/32/62/27/388326227.db2.gz LWNBGBBPJMYGRF-XQRVVYSFSA-N 1 3 225.336 0.268 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)/C=C\CN(C)C)C1 ZINC000491908218 388327311 /nfs/dbraw/zinc/32/73/11/388327311.db2.gz UIBOGTDXPHHEHO-FJOGCWAESA-N 1 3 239.363 0.562 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)/C=C\CN(C)C)C1 ZINC000491908218 388327312 /nfs/dbraw/zinc/32/73/12/388327312.db2.gz UIBOGTDXPHHEHO-FJOGCWAESA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C\C(=O)NCC1([NH+](C)C)CCC1 ZINC000491976514 388330321 /nfs/dbraw/zinc/33/03/21/388330321.db2.gz NDECPRLCPHCWQQ-ALCCZGGFSA-N 1 3 239.363 0.705 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)/C=C\CN(C)C ZINC000492058493 388333223 /nfs/dbraw/zinc/33/32/23/388333223.db2.gz PMDNNLNTZFNHCZ-FPLPWBNLSA-N 1 3 241.379 0.952 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)/C=C\CN(C)C ZINC000492058493 388333224 /nfs/dbraw/zinc/33/32/24/388333224.db2.gz PMDNNLNTZFNHCZ-FPLPWBNLSA-N 1 3 241.379 0.952 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336366 388262070 /nfs/dbraw/zinc/26/20/70/388262070.db2.gz QAXLCNYODHNZRA-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336367 388262462 /nfs/dbraw/zinc/26/24/62/388262462.db2.gz QAXLCNYODHNZRA-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000645953494 388269087 /nfs/dbraw/zinc/26/90/87/388269087.db2.gz VXAYRTCAQMYRTD-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000645953494 388269088 /nfs/dbraw/zinc/26/90/88/388269088.db2.gz VXAYRTCAQMYRTD-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO N[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CCC1 ZINC000646338362 388271668 /nfs/dbraw/zinc/27/16/68/388271668.db2.gz JYWLYSDCTGUFLT-WCQGTBRESA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000646338518 388272127 /nfs/dbraw/zinc/27/21/27/388272127.db2.gz PFEFKGIFQGSJIB-NXEZZACHSA-N 1 3 223.320 0.078 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385246 388348606 /nfs/dbraw/zinc/34/86/06/388348606.db2.gz ZUQGNOOTLZFFIB-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO CNCC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646385113 388348732 /nfs/dbraw/zinc/34/87/32/388348732.db2.gz XISMRJJOINDUHU-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)CC(F)F ZINC000516571311 388350315 /nfs/dbraw/zinc/35/03/15/388350315.db2.gz SDVQEKXJJFDLQS-ZETCQYMHSA-N 1 3 237.294 0.412 20 0 BCADHO C[C@H](CNC(=O)CC1(C[NH3+])CC1)N1CCCC1 ZINC000646408450 388351988 /nfs/dbraw/zinc/35/19/88/388351988.db2.gz QOKWAKOYYCMQGY-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CN(C(=O)CC(C)(C)[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000646430771 388358423 /nfs/dbraw/zinc/35/84/23/388358423.db2.gz HMIQZYRYLICGKW-NSHDSACASA-N 1 3 239.363 0.809 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C(C)(C)N ZINC000261533837 135165978 /nfs/dbraw/zinc/16/59/78/135165978.db2.gz LITBTDHAROVUFW-QMMMGPOBSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000235572361 388371607 /nfs/dbraw/zinc/37/16/07/388371607.db2.gz JASZTQHZGCOSBE-DCAQKATOSA-N 1 3 227.352 0.441 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCC(F)F ZINC000236176721 388378593 /nfs/dbraw/zinc/37/85/93/388378593.db2.gz VPVUMRCDPGSVQE-IUCAKERBSA-N 1 3 222.279 0.985 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236176721 388378597 /nfs/dbraw/zinc/37/85/97/388378597.db2.gz VPVUMRCDPGSVQE-IUCAKERBSA-N 1 3 222.279 0.985 20 0 BCADHO CN(C)CCN(C(=O)CC1([NH3+])CCC1)C1CC1 ZINC000646542623 388379566 /nfs/dbraw/zinc/37/95/66/388379566.db2.gz LTGQUIFDRYRLID-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CN(C)CCN(C(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000646542783 388379726 /nfs/dbraw/zinc/37/97/26/388379726.db2.gz UAZFUUVOPBDDFD-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)(C)CC[NH+]1CCN(C(=O)CN)CC1 ZINC000236606324 388380291 /nfs/dbraw/zinc/38/02/91/388380291.db2.gz GZEBYHSSRSHBEK-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)C(C)(C)C ZINC000236782918 388383204 /nfs/dbraw/zinc/38/32/04/388383204.db2.gz HPRKIDOKKQPMEH-SECBINFHSA-N 1 3 215.341 0.476 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236806339 388383739 /nfs/dbraw/zinc/38/37/39/388383739.db2.gz MDEWQBWIQWUSTB-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO CCN(CC)CC(=O)NCC(C)(C)[NH3+] ZINC000236841786 388384407 /nfs/dbraw/zinc/38/44/07/388384407.db2.gz DPMKWQRPDUPQIO-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NC1(C[NH3+])CCCC1 ZINC000572881789 388384816 /nfs/dbraw/zinc/38/48/16/388384816.db2.gz RGBAISHBNYCQQB-ZETCQYMHSA-N 1 3 235.278 0.357 20 0 BCADHO CC[N@H+](CCNC(=O)C1(N)CC1)C(C)C ZINC000236856205 388384806 /nfs/dbraw/zinc/38/48/06/388384806.db2.gz QUEXXCHAIXKYHT-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CC[N@@H+](CCNC(=O)C1(N)CC1)C(C)C ZINC000236856205 388384807 /nfs/dbraw/zinc/38/48/07/388384807.db2.gz QUEXXCHAIXKYHT-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236841659 388384866 /nfs/dbraw/zinc/38/48/66/388384866.db2.gz MDEWQBWIQWUSTB-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C)C[NH3+] ZINC000236842188 388384960 /nfs/dbraw/zinc/38/49/60/388384960.db2.gz JJHLBNVKSMFUFT-VIFPVBQESA-N 1 3 201.314 0.039 20 0 BCADHO CCO[C@@H]1COC[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000572900250 388386425 /nfs/dbraw/zinc/38/64/25/388386425.db2.gz ZXXCNHRWYPJQGV-NNYUYHANSA-N 1 3 228.336 0.650 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000236937990 388386606 /nfs/dbraw/zinc/38/66/06/388386606.db2.gz ILQMUVYMCQHWCY-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000236937990 388386609 /nfs/dbraw/zinc/38/66/09/388386609.db2.gz ILQMUVYMCQHWCY-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236940598 388386639 /nfs/dbraw/zinc/38/66/39/388386639.db2.gz FMZPHROJMMDADC-JLLWLGSASA-N 1 3 241.379 0.816 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000646584634 388390449 /nfs/dbraw/zinc/39/04/49/388390449.db2.gz RJMSENFCVNXAOL-JTQLQIEISA-N 1 3 239.363 0.762 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237275198 388392430 /nfs/dbraw/zinc/39/24/30/388392430.db2.gz MYZBHAQFDQBIBM-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000237275198 388392432 /nfs/dbraw/zinc/39/24/32/388392432.db2.gz MYZBHAQFDQBIBM-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO COc1ccccc1[C@@H](N)CNC(=O)CC[NH3+] ZINC000646601047 388393689 /nfs/dbraw/zinc/39/36/89/388393689.db2.gz SAJWCKUXZYFZTO-JTQLQIEISA-N 1 3 237.303 0.160 20 0 BCADHO C[C@H](CNC(=O)CC[NH3+])N(C)Cc1ccccc1 ZINC000237395528 388394329 /nfs/dbraw/zinc/39/43/29/388394329.db2.gz SLVQHXDSVMZHBA-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)C(C)(C)C[NH3+] ZINC000237508543 388395596 /nfs/dbraw/zinc/39/55/96/388395596.db2.gz HEAQAZYBATYVOQ-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649662 388401826 /nfs/dbraw/zinc/40/18/26/388401826.db2.gz PWDWWRNJSDKIMM-JGVFFNPUSA-N 1 3 235.278 0.227 20 0 BCADHO N[C@H](CC(F)F)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646649661 388401983 /nfs/dbraw/zinc/40/19/83/388401983.db2.gz PWDWWRNJSDKIMM-HTQZYQBOSA-N 1 3 235.278 0.227 20 0 BCADHO CCCN(CCN(C)C)C(=O)/C=C\C[NH+](C)C ZINC000492172051 388337414 /nfs/dbraw/zinc/33/74/14/388337414.db2.gz UIUBQVRCAAWKFB-FPLPWBNLSA-N 1 3 241.379 0.904 20 0 BCADHO CCO[C@@H]1C[C@H](NCC2C[NH2+]C2)C1(C)C ZINC000261531245 135160288 /nfs/dbraw/zinc/16/02/88/135160288.db2.gz FVODGPPAXXBNJI-WDEREUQCSA-N 1 3 212.337 0.999 20 0 BCADHO CCO[C@@H]1C[C@H]([NH2+]CC2CNC2)C1(C)C ZINC000261531245 135160290 /nfs/dbraw/zinc/16/02/90/135160290.db2.gz FVODGPPAXXBNJI-WDEREUQCSA-N 1 3 212.337 0.999 20 0 BCADHO C[N@H+](CCCN)C[C@H]1CCCC[C@H]1O ZINC000336904829 388442335 /nfs/dbraw/zinc/44/23/35/388442335.db2.gz WLJOBFGDMUATQM-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCCN)C[C@H]1CCCC[C@H]1O ZINC000336904829 388442337 /nfs/dbraw/zinc/44/23/37/388442337.db2.gz WLJOBFGDMUATQM-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO C[N@H+](CCCN)C[C@H]1CCCC[C@@H]1O ZINC000336904830 388442509 /nfs/dbraw/zinc/44/25/09/388442509.db2.gz WLJOBFGDMUATQM-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCCN)C[C@H]1CCCC[C@@H]1O ZINC000336904830 388442512 /nfs/dbraw/zinc/44/25/12/388442512.db2.gz WLJOBFGDMUATQM-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO CC[C@](C)(CNC[C@@H](O)C[N@H+](C)C1CC1)OC ZINC000322837663 388448801 /nfs/dbraw/zinc/44/88/01/388448801.db2.gz DXAFSOYUMXZNDN-CHWSQXEVSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@](C)(CNC[C@@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837663 388448802 /nfs/dbraw/zinc/44/88/02/388448802.db2.gz DXAFSOYUMXZNDN-CHWSQXEVSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC[NH2+]C1CC1 ZINC000649270771 388481133 /nfs/dbraw/zinc/48/11/33/388481133.db2.gz SRQVUMRQHJCKAX-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](C[NH2+]C1CCOCC1)CN(C)C ZINC000336686641 388462381 /nfs/dbraw/zinc/46/23/81/388462381.db2.gz LOXOZVQSHXDHML-JTQLQIEISA-N 1 3 200.326 0.953 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@H](N)c1ccccc1 ZINC000646696957 388418896 /nfs/dbraw/zinc/41/88/96/388418896.db2.gz DIIJORWHPYAESR-RYUDHWBXSA-N 1 3 247.342 0.801 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646699042 388419918 /nfs/dbraw/zinc/41/99/18/388419918.db2.gz WVYYVNOAHWQMPZ-ZJUUUORDSA-N 1 3 225.336 0.100 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCOC[C@@H]2CCCO2)C1 ZINC000573121497 388421588 /nfs/dbraw/zinc/42/15/88/388421588.db2.gz FYNXSOZNDSTJRC-AVGNSLFASA-N 1 3 242.363 0.851 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCOC[C@H]2CCCO2)C1 ZINC000573121500 388421763 /nfs/dbraw/zinc/42/17/63/388421763.db2.gz FYNXSOZNDSTJRC-YNEHKIRRSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CCC[NH3+] ZINC000649273129 388483582 /nfs/dbraw/zinc/48/35/82/388483582.db2.gz MCULTPDQBQBVDI-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649277105 388499893 /nfs/dbraw/zinc/49/98/93/388499893.db2.gz DDMZDWSIJZVERM-KKOKHZNYSA-N 1 3 237.347 0.337 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@@H](COC)C1CC1 ZINC000397968754 388513965 /nfs/dbraw/zinc/51/39/65/388513965.db2.gz SGRFIWIYLUOFDO-KOLCDFICSA-N 1 3 200.326 0.857 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000516925951 388524460 /nfs/dbraw/zinc/52/44/60/388524460.db2.gz PEJNQHDSPLJBDE-UWVGGRQHSA-N 1 3 244.383 0.752 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041047 388536246 /nfs/dbraw/zinc/53/62/46/388536246.db2.gz DBXKQLBOIBRFBN-NEPJUHHUSA-N 1 3 239.363 0.858 20 0 BCADHO CCC[NH+]1CCC(NC[C@@H]2COCCN2)CC1 ZINC000530180779 388622411 /nfs/dbraw/zinc/62/24/11/388622411.db2.gz AKTQCZXGHLJZTC-CYBMUJFWSA-N 1 3 241.379 0.439 20 0 BCADHO CCCN1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530180779 388622414 /nfs/dbraw/zinc/62/24/14/388622414.db2.gz AKTQCZXGHLJZTC-CYBMUJFWSA-N 1 3 241.379 0.439 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000246253360 388627220 /nfs/dbraw/zinc/62/72/20/388627220.db2.gz JSUDFTXQTLKFAK-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1COCCN1 ZINC000530222951 388634198 /nfs/dbraw/zinc/63/41/98/388634198.db2.gz IUIZWDKGAVBJDH-TUAOUCFPSA-N 1 3 227.352 0.082 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530222951 388634200 /nfs/dbraw/zinc/63/42/00/388634200.db2.gz IUIZWDKGAVBJDH-TUAOUCFPSA-N 1 3 227.352 0.082 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)CCO)[C@@H](C)C1 ZINC000246418470 388635429 /nfs/dbraw/zinc/63/54/29/388635429.db2.gz BPXTWNGHMULXLK-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)CCO)[C@@H](C)C1 ZINC000246418470 388635430 /nfs/dbraw/zinc/63/54/30/388635430.db2.gz BPXTWNGHMULXLK-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO CN(C[C@@H](O)C[NH3+])CC1CC(C)(C)C1 ZINC000530226164 388635647 /nfs/dbraw/zinc/63/56/47/388635647.db2.gz NVFWSGPIMVCXNC-JTQLQIEISA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]([NH3+])CN1CCC(C)(N2CCOCC2)CC1 ZINC000530232795 388636343 /nfs/dbraw/zinc/63/63/43/388636343.db2.gz SNBIKXSCIJXEAK-GFCCVEGCSA-N 1 3 241.379 0.520 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCCN1 ZINC000521876953 388638761 /nfs/dbraw/zinc/63/87/61/388638761.db2.gz LKEHTVMRNSYUIF-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246492159 388640696 /nfs/dbraw/zinc/64/06/96/388640696.db2.gz MHILTEGARHRASF-UTLUCORTSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246492159 388640697 /nfs/dbraw/zinc/64/06/97/388640697.db2.gz MHILTEGARHRASF-UTLUCORTSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128299191 388745187 /nfs/dbraw/zinc/74/51/87/388745187.db2.gz HHRVXZNVTQOLSG-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@H+]1C ZINC000128299191 388745191 /nfs/dbraw/zinc/74/51/91/388745191.db2.gz HHRVXZNVTQOLSG-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000648730521 388751976 /nfs/dbraw/zinc/75/19/76/388751976.db2.gz FWKPFTKBXCIZMG-HBNTYKKESA-N 1 3 227.352 0.393 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000648730521 388751978 /nfs/dbraw/zinc/75/19/78/388751978.db2.gz FWKPFTKBXCIZMG-HBNTYKKESA-N 1 3 227.352 0.393 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000155759544 388774419 /nfs/dbraw/zinc/77/44/19/388774419.db2.gz LJBQNZXSPGCRRL-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000564957803 388903025 /nfs/dbraw/zinc/90/30/25/388903025.db2.gz FJJSUBMWFSVXOL-ZJUUUORDSA-N 1 3 227.352 0.761 20 0 BCADHO N[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000564981083 388905446 /nfs/dbraw/zinc/90/54/46/388905446.db2.gz GXDXYJSRQVCECI-GRYCIOLGSA-N 1 3 233.315 0.540 20 0 BCADHO CN(CCNC(=O)C1([NH3+])CC1)Cc1ccccc1 ZINC000262153065 388906911 /nfs/dbraw/zinc/90/69/11/388906911.db2.gz RWODPFPAQJMDJE-UHFFFAOYSA-N 1 3 247.342 0.726 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000565003617 388907829 /nfs/dbraw/zinc/90/78/29/388907829.db2.gz LAGKJCJKYFVSGU-DMDPSCGWSA-N 1 3 249.358 0.798 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C ZINC000565041292 388909315 /nfs/dbraw/zinc/90/93/15/388909315.db2.gz UUAYCROXSKJJNW-HBNTYKKESA-N 1 3 229.368 0.815 20 0 BCADHO CCN(CC1CC1)C[C@](C)(O)C[NH2+]C ZINC000565095784 388913825 /nfs/dbraw/zinc/91/38/25/388913825.db2.gz RSXHRLVMHHIILI-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000163126274 388921982 /nfs/dbraw/zinc/92/19/82/388921982.db2.gz LFUYLIJVKBITGJ-GHMZBOCLSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000163126274 388921978 /nfs/dbraw/zinc/92/19/78/388921978.db2.gz LFUYLIJVKBITGJ-GHMZBOCLSA-N 1 3 227.352 0.761 20 0 BCADHO NCCC[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000565234437 388929900 /nfs/dbraw/zinc/92/99/00/388929900.db2.gz UCTURGFBKZLFGA-NEPJUHHUSA-N 1 3 239.363 0.858 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000564981088 388905079 /nfs/dbraw/zinc/90/50/79/388905079.db2.gz GXDXYJSRQVCECI-TUAOUCFPSA-N 1 3 233.315 0.540 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC(C)(COC)CC1 ZINC000565367796 388940392 /nfs/dbraw/zinc/94/03/92/388940392.db2.gz ISKMQIBBLQDFBB-ZDUSSCGKSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(C)(COC)CC1 ZINC000565367796 388940394 /nfs/dbraw/zinc/94/03/94/388940394.db2.gz ISKMQIBBLQDFBB-ZDUSSCGKSA-N 1 3 244.379 0.705 20 0 BCADHO C[C@@H]1CCN(C(=O)CNC2CC2)C[C@H]1C[NH3+] ZINC000565410926 388941245 /nfs/dbraw/zinc/94/12/45/388941245.db2.gz BOEOQIMTZAFCIO-NXEZZACHSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1CCN(C(=O)CNC2CC2)C[C@H]1C[NH3+] ZINC000565410932 388941351 /nfs/dbraw/zinc/94/13/51/388941351.db2.gz BOEOQIMTZAFCIO-VHSXEESVSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000565419851 388942976 /nfs/dbraw/zinc/94/29/76/388942976.db2.gz HNSBCXWUFGYGPY-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](C(=O)NCCN1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000493897161 533260573 /nfs/dbraw/zinc/26/05/73/533260573.db2.gz LZGLAXVLZSQYIF-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CNC(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335930961 134010542 /nfs/dbraw/zinc/01/05/42/134010542.db2.gz HNPMHONDDUPECM-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335957372 134023689 /nfs/dbraw/zinc/02/36/89/134023689.db2.gz BVEKVPGOWGMCNT-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335957372 134023690 /nfs/dbraw/zinc/02/36/90/134023690.db2.gz BVEKVPGOWGMCNT-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)CNC2 ZINC000335990081 134040049 /nfs/dbraw/zinc/04/00/49/134040049.db2.gz HCWLXDVFWAQAAK-RNCFNFMXSA-N 1 3 245.326 0.852 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000336219394 134138627 /nfs/dbraw/zinc/13/86/27/134138627.db2.gz NQKONGSKPOEBLJ-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169033126 134249180 /nfs/dbraw/zinc/24/91/80/134249180.db2.gz VTBDKBMVOKAFRD-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO [NH3+]CCCC(=O)N1CCCN(C2CC2)CC1 ZINC000178747914 134310888 /nfs/dbraw/zinc/31/08/88/134310888.db2.gz LDCRAJKJMQGDMW-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCOCCOC)[C@H](C)C1 ZINC000178632096 134312440 /nfs/dbraw/zinc/31/24/40/134312440.db2.gz QZJFFPBONKKYDV-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCOCCOC)[C@H](C)C1 ZINC000178632096 134312441 /nfs/dbraw/zinc/31/24/41/134312441.db2.gz QZJFFPBONKKYDV-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178809340 134314955 /nfs/dbraw/zinc/31/49/55/134314955.db2.gz GWWCQXYTMSWICK-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H](NC(=O)[C@H](C)N)C(C)(C)C[NH+](C)C ZINC000178817805 134315470 /nfs/dbraw/zinc/31/54/70/134315470.db2.gz OPVHUGYVEFBHED-DTWKUNHWSA-N 1 3 215.341 0.426 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](C)N ZINC000178836194 134315690 /nfs/dbraw/zinc/31/56/90/134315690.db2.gz XHTJNNMBIAFMIQ-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](C)N ZINC000178836194 134315691 /nfs/dbraw/zinc/31/56/91/134315691.db2.gz XHTJNNMBIAFMIQ-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C(=O)CN(C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000178885282 134315939 /nfs/dbraw/zinc/31/59/39/134315939.db2.gz APUPXQINVOAZAB-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000178870872 134316328 /nfs/dbraw/zinc/31/63/28/134316328.db2.gz SBLMRGFNYCCZSL-SKDRFNHKSA-N 1 3 243.326 0.274 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223939102 134343323 /nfs/dbraw/zinc/34/33/23/134343323.db2.gz HASOKZOYZWMUNY-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](CCO)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223939102 134343324 /nfs/dbraw/zinc/34/33/24/134343324.db2.gz HASOKZOYZWMUNY-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000225959351 134358047 /nfs/dbraw/zinc/35/80/47/134358047.db2.gz CPASRYJVBXTINR-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000188185536 134494367 /nfs/dbraw/zinc/49/43/67/134494367.db2.gz IOWHHWBGARRVHZ-GARJFASQSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@@H](C)N1 ZINC000248391418 135001185 /nfs/dbraw/zinc/00/11/85/135001185.db2.gz CCXSHRITHOQCED-NQBHXWOUSA-N 1 3 239.363 0.727 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3)C[C@@H]12 ZINC000248568244 135004957 /nfs/dbraw/zinc/00/49/57/135004957.db2.gz CEGAKGSHZHSQCN-KKOKHZNYSA-N 1 3 237.347 0.324 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3)C[C@@H]12 ZINC000248568243 135005180 /nfs/dbraw/zinc/00/51/80/135005180.db2.gz CEGAKGSHZHSQCN-DDHJBXDOSA-N 1 3 237.347 0.324 20 0 BCADHO NC1(C(=O)N2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)CCCC1 ZINC000248666375 135018442 /nfs/dbraw/zinc/01/84/42/135018442.db2.gz WQJQLLRUZYXTMN-OUAUKWLOSA-N 1 3 237.347 0.454 20 0 BCADHO C[C@H]1CN(CCOCC[NH3+])CCCO1 ZINC000086435709 135084004 /nfs/dbraw/zinc/08/40/04/135084004.db2.gz TYUYKELUMQRZGY-JTQLQIEISA-N 1 3 202.298 0.073 20 0 BCADHO COC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700622 135095512 /nfs/dbraw/zinc/09/55/12/135095512.db2.gz GFAMJCNRBUNIRK-OLZOCXBDSA-N 1 3 244.379 0.704 20 0 BCADHO C[S@](=O)CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703338 135097849 /nfs/dbraw/zinc/09/78/49/135097849.db2.gz WQBGQSDNBSSOLL-MKBNYLNASA-N 1 3 244.404 0.971 20 0 BCADHO C[S@](=O)CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703338 135097851 /nfs/dbraw/zinc/09/78/51/135097851.db2.gz WQBGQSDNBSSOLL-MKBNYLNASA-N 1 3 244.404 0.971 20 0 BCADHO C[S@](=O)CCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000252703338 135097853 /nfs/dbraw/zinc/09/78/53/135097853.db2.gz WQBGQSDNBSSOLL-MKBNYLNASA-N 1 3 244.404 0.971 20 0 BCADHO COc1ccccc1[C@H]1CNCCN1CC[NH3+] ZINC000262222139 135116937 /nfs/dbraw/zinc/11/69/37/135116937.db2.gz MTBQXYLDSDXXML-GFCCVEGCSA-N 1 3 235.331 0.600 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000258416246 135132789 /nfs/dbraw/zinc/13/27/89/135132789.db2.gz IZQHUBGGEJFXMT-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO C(C1CC1)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257727221 135140498 /nfs/dbraw/zinc/14/04/98/135140498.db2.gz QLBRLKOBZIZWMU-LBPRGKRZSA-N 1 3 209.337 0.376 20 0 BCADHO C(C1CC1)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000257727221 135140500 /nfs/dbraw/zinc/14/05/00/135140500.db2.gz QLBRLKOBZIZWMU-LBPRGKRZSA-N 1 3 209.337 0.376 20 0 BCADHO CC(C)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000261545664 135150048 /nfs/dbraw/zinc/15/00/48/135150048.db2.gz GFZVJNNRUBDUNA-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN(CCO)C[C@]1(C)CC[NH2+]C1 ZINC000261528987 135154737 /nfs/dbraw/zinc/15/47/37/135154737.db2.gz YWMQCGATGJQOSN-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO CC(C)[C@@](C)(CN)[NH2+]Cc1cncn1C ZINC000261531580 135161219 /nfs/dbraw/zinc/16/12/19/135161219.db2.gz HEAPGEDDDNWJIJ-LLVKDONJSA-N 1 3 210.325 0.883 20 0 BCADHO c1cn(CCC[NH2+]C[C@@H]2CCCNC2)cn1 ZINC000087646295 135161298 /nfs/dbraw/zinc/16/12/98/135161298.db2.gz DINCDVIUCVFZIT-GFCCVEGCSA-N 1 3 222.336 0.862 20 0 BCADHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@H](CO)O1 ZINC000261533704 135166186 /nfs/dbraw/zinc/16/61/86/135166186.db2.gz KOTFVZWGFHQFIP-ZYHUDNBSSA-N 1 3 228.336 0.068 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261534182 135167031 /nfs/dbraw/zinc/16/70/31/135167031.db2.gz OEKKUUMFGWNBMJ-CMPLNLGQSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261534182 135167032 /nfs/dbraw/zinc/16/70/32/135167032.db2.gz OEKKUUMFGWNBMJ-CMPLNLGQSA-N 1 3 225.336 0.183 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC(C)(C)[NH3+] ZINC000261536698 135171841 /nfs/dbraw/zinc/17/18/41/135171841.db2.gz SNPIYIJWDRLIAG-JTQLQIEISA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C ZINC000261542933 135183182 /nfs/dbraw/zinc/18/31/82/135183182.db2.gz HGSMODCCPVYXEW-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261543122 135183683 /nfs/dbraw/zinc/18/36/83/135183683.db2.gz HMHCDBSVKUVFCZ-KOLCDFICSA-N 1 3 213.325 0.357 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261543121 135184216 /nfs/dbraw/zinc/18/42/16/135184216.db2.gz HMHCDBSVKUVFCZ-GXSJLCMTSA-N 1 3 213.325 0.357 20 0 BCADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000261543579 135185037 /nfs/dbraw/zinc/18/50/37/135185037.db2.gz UTRMNSBNZXJYCE-XQQFMLRXSA-N 1 3 244.379 0.881 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000261544484 135185196 /nfs/dbraw/zinc/18/51/96/135185196.db2.gz YRGDUHRTSZKUQO-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000261543991 135185238 /nfs/dbraw/zinc/18/52/38/135185238.db2.gz DKQHHBWBCZCDTP-GFCCVEGCSA-N 1 3 241.379 0.296 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000261550414 135188965 /nfs/dbraw/zinc/18/89/65/135188965.db2.gz PKRRFVQVBMIXLM-KOLCDFICSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000261550415 135189582 /nfs/dbraw/zinc/18/95/82/135189582.db2.gz PKRRFVQVBMIXLM-MWLCHTKSSA-N 1 3 213.325 0.372 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261552413 135191029 /nfs/dbraw/zinc/19/10/29/135191029.db2.gz RJZZNEZGHVSIBX-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261552413 135191031 /nfs/dbraw/zinc/19/10/31/135191031.db2.gz RJZZNEZGHVSIBX-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CCOC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000261569692 135211265 /nfs/dbraw/zinc/21/12/65/135211265.db2.gz GKZBJYKBGJJIMX-JTQLQIEISA-N 1 3 228.336 0.917 20 0 BCADHO CCOC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000261569692 135211266 /nfs/dbraw/zinc/21/12/66/135211266.db2.gz GKZBJYKBGJJIMX-JTQLQIEISA-N 1 3 228.336 0.917 20 0 BCADHO CN(CC(C)(C)[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000261583034 135223977 /nfs/dbraw/zinc/22/39/77/135223977.db2.gz OUIATQINKXTFQI-NSHDSACASA-N 1 3 211.353 0.892 20 0 BCADHO C[C@@H](C(=O)N1C[C@@H](C)NC[C@H]1C)[C@H](C)[NH3+] ZINC000261547088 135239713 /nfs/dbraw/zinc/23/97/13/135239713.db2.gz LUJVSUVQHUJLFG-KYXWUPHJSA-N 1 3 213.325 0.179 20 0 BCADHO C[C@]1(CN2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687606 135246199 /nfs/dbraw/zinc/24/61/99/135246199.db2.gz AQLOHXXXPTZXNY-PWSUYJOCSA-N 1 3 225.336 0.183 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261695206 135246932 /nfs/dbraw/zinc/24/69/32/135246932.db2.gz BSOYQCOTAYUEIJ-PWSUYJOCSA-N 1 3 227.352 0.300 20 0 BCADHO COC(=O)[C@]1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261716675 135247685 /nfs/dbraw/zinc/24/76/85/135247685.db2.gz FFKNHJZTGJLLBK-CHWSQXEVSA-N 1 3 240.347 0.871 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000084420063 135249261 /nfs/dbraw/zinc/24/92/61/135249261.db2.gz MCYDCWWCGNXKGF-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC000084420037 135249526 /nfs/dbraw/zinc/24/95/26/135249526.db2.gz BNWWBOIWRXMGMH-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261763308 135250368 /nfs/dbraw/zinc/25/03/68/135250368.db2.gz RJWZCSDWSCFEJG-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)[NH3+] ZINC000261782405 135252377 /nfs/dbraw/zinc/25/23/77/135252377.db2.gz JQIOJXDBYKOFOP-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000261826371 135256295 /nfs/dbraw/zinc/25/62/95/135256295.db2.gz ISTJNHUCAZSBBE-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](CNC(=O)C[C@H](C)[NH3+])N1CCC(C)CC1 ZINC000261882547 135259726 /nfs/dbraw/zinc/25/97/26/135259726.db2.gz RXUCZJRICWACDQ-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261943115 135265112 /nfs/dbraw/zinc/26/51/12/135265112.db2.gz NVNCJDMYTLVMIH-JFGNBEQYSA-N 1 3 239.363 0.713 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH2+]C1 ZINC000262054574 135276562 /nfs/dbraw/zinc/27/65/62/135276562.db2.gz WZDQOYVFWXDRPL-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262056036 135277027 /nfs/dbraw/zinc/27/70/27/135277027.db2.gz XLHQMSFZUNQTJC-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCCC[C@@H]1C ZINC000262338323 135294115 /nfs/dbraw/zinc/29/41/15/135294115.db2.gz HOMLMPPIGYMTLL-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCN(CC)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342619117 135296267 /nfs/dbraw/zinc/29/62/67/135296267.db2.gz MRIDPNDJVZHUGN-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262374377 135298091 /nfs/dbraw/zinc/29/80/91/135298091.db2.gz MPISLLLOAYIXGO-WGBDABJCSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262448758 135299451 /nfs/dbraw/zinc/29/94/51/135299451.db2.gz QSGNCYUWMOQMGQ-QWRGUYRKSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000262484057 135301572 /nfs/dbraw/zinc/30/15/72/135301572.db2.gz ZWKDAFUINGZCAS-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000262484051 135301698 /nfs/dbraw/zinc/30/16/98/135301698.db2.gz ZWKDAFUINGZCAS-MXWKQRLJSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)N(C)C ZINC000262543388 135304692 /nfs/dbraw/zinc/30/46/92/135304692.db2.gz XRZPETAEKHHXIS-WDEREUQCSA-N 1 3 227.352 0.380 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CC(C)C ZINC000262591644 135306931 /nfs/dbraw/zinc/30/69/31/135306931.db2.gz FHSQILOCPJDZMM-JTQLQIEISA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)NCCN(C)C ZINC000342663141 135308371 /nfs/dbraw/zinc/30/83/71/135308371.db2.gz LWTFFCOXZLPKTN-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000262617936 135308889 /nfs/dbraw/zinc/30/88/89/135308889.db2.gz ZVIYMKYKORXHKK-NXEZZACHSA-N 1 3 229.368 0.994 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342752396 135311170 /nfs/dbraw/zinc/31/11/70/135311170.db2.gz ONPGZGZMKDEWIG-QCNOEVLYSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000342723475 135314463 /nfs/dbraw/zinc/31/44/63/135314463.db2.gz IWZGDRHYKASLPI-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCCN2)CC[NH2+]1 ZINC000262787161 135317981 /nfs/dbraw/zinc/31/79/81/135317981.db2.gz CUBWSNLBXHDGHC-NQBHXWOUSA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[NH2+]CC1CC1 ZINC000262779808 135318334 /nfs/dbraw/zinc/31/83/34/135318334.db2.gz LGUZXGMRDYXBRR-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263221669 135340433 /nfs/dbraw/zinc/34/04/33/135340433.db2.gz LYQGPCPBIBJDIO-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263221668 135340437 /nfs/dbraw/zinc/34/04/37/135340437.db2.gz LYQGPCPBIBJDIO-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C ZINC000344686341 135788576 /nfs/dbraw/zinc/78/85/76/135788576.db2.gz BXJWNZRJQKMKKF-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO CCN1CCC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000335285056 136002280 /nfs/dbraw/zinc/00/22/80/136002280.db2.gz IOVCTQMLLVIIPY-QWRGUYRKSA-N 1 3 240.351 0.213 20 0 BCADHO C[C@@H]1CN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000335361719 136081168 /nfs/dbraw/zinc/08/11/68/136081168.db2.gz WFRKPLFWBSPZHZ-BDAKNGLRSA-N 1 3 228.340 0.116 20 0 BCADHO NCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375221 136085419 /nfs/dbraw/zinc/08/54/19/136085419.db2.gz MMCYFLBMAGOKIO-ZYHUDNBSSA-N 1 3 237.347 0.420 20 0 BCADHO NCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335375221 136085420 /nfs/dbraw/zinc/08/54/20/136085420.db2.gz MMCYFLBMAGOKIO-ZYHUDNBSSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335378666 136086508 /nfs/dbraw/zinc/08/65/08/136086508.db2.gz FQWVUFULXBOOKU-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335389126 136090214 /nfs/dbraw/zinc/09/02/14/136090214.db2.gz JKFPRTNMMRCHQN-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335395469 136092095 /nfs/dbraw/zinc/09/20/95/136092095.db2.gz OQTLCDIQVIAAMT-GWCFXTLKSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335395472 136092246 /nfs/dbraw/zinc/09/22/46/136092246.db2.gz OQTLCDIQVIAAMT-ZWNOBZJWSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CNCc2ccccc21 ZINC000335399197 136093685 /nfs/dbraw/zinc/09/36/85/136093685.db2.gz MVILJSDUSZDTMH-YPMHNXCESA-N 1 3 245.326 0.352 20 0 BCADHO CN(C(=O)CCC[NH3+])[C@@H]1CN2CCC1CC2 ZINC000380677301 397877191 /nfs/dbraw/zinc/87/71/91/397877191.db2.gz DVNXRKWBEGGGRE-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO CO[C@H](C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000182171646 397824777 /nfs/dbraw/zinc/82/47/77/397824777.db2.gz FXUPILFFBFSEIT-GHMZBOCLSA-N 1 3 200.326 0.905 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000054133118 397903412 /nfs/dbraw/zinc/90/34/12/397903412.db2.gz IGUKUUJIKMXMCJ-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CC[N@H+](CCCNC)C[C@@H]1CCOC1 ZINC000389910198 397997794 /nfs/dbraw/zinc/99/77/94/397997794.db2.gz ITQVCVBRRLLSKH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CC[N@@H+](CCCNC)C[C@@H]1CCOC1 ZINC000389910198 397997798 /nfs/dbraw/zinc/99/77/98/397997798.db2.gz ITQVCVBRRLLSKH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CCN(CCC[NH2+]C)C[C@@H]1CCOC1 ZINC000389910198 397997802 /nfs/dbraw/zinc/99/78/02/397997802.db2.gz ITQVCVBRRLLSKH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953163 398009653 /nfs/dbraw/zinc/00/96/53/398009653.db2.gz FVGXRAPNDJIGBH-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336732890 398029105 /nfs/dbraw/zinc/02/91/05/398029105.db2.gz ZWCWPPDZOOWMKP-DGCLKSJQSA-N 1 3 244.379 0.534 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336732890 398029106 /nfs/dbraw/zinc/02/91/06/398029106.db2.gz ZWCWPPDZOOWMKP-DGCLKSJQSA-N 1 3 244.379 0.534 20 0 BCADHO COC(=O)C(C)(C)CCNC1CC[NH2+]CC1 ZINC000414774401 398033392 /nfs/dbraw/zinc/03/33/92/398033392.db2.gz BCDYZOOAFFKUMK-UHFFFAOYSA-N 1 3 228.336 0.917 20 0 BCADHO COC(=O)C(C)(C)CC[NH2+]C1CCNCC1 ZINC000414774401 398033396 /nfs/dbraw/zinc/03/33/96/398033396.db2.gz BCDYZOOAFFKUMK-UHFFFAOYSA-N 1 3 228.336 0.917 20 0 BCADHO CC[NH2+]CCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418320969 398034944 /nfs/dbraw/zinc/03/49/44/398034944.db2.gz XDVOOUHIPHWAGG-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO COC[C@H](C)[N@@H+]1CCCO[C@H](CN)C1 ZINC000313341741 398043426 /nfs/dbraw/zinc/04/34/26/398043426.db2.gz FXPPIFGYPVPKKG-VHSXEESVSA-N 1 3 202.298 0.071 20 0 BCADHO COC[C@H](C)[N@H+]1CCCO[C@H](CN)C1 ZINC000313341741 398043432 /nfs/dbraw/zinc/04/34/32/398043432.db2.gz FXPPIFGYPVPKKG-VHSXEESVSA-N 1 3 202.298 0.071 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2cn[nH]c2)C1 ZINC000389708045 397987503 /nfs/dbraw/zinc/98/75/03/397987503.db2.gz LJYQNXWRVDUPJP-GXSJLCMTSA-N 1 3 208.309 0.621 20 0 BCADHO CC[N@H+](CCNC(=O)/C=C\CN(C)C)C(C)C ZINC000491853677 398075386 /nfs/dbraw/zinc/07/53/86/398075386.db2.gz VVZUAUCIUAQZTK-FPLPWBNLSA-N 1 3 241.379 0.951 20 0 BCADHO CC[N@@H+](CCNC(=O)/C=C\CN(C)C)C(C)C ZINC000491853677 398075389 /nfs/dbraw/zinc/07/53/89/398075389.db2.gz VVZUAUCIUAQZTK-FPLPWBNLSA-N 1 3 241.379 0.951 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000646707324 398085530 /nfs/dbraw/zinc/08/55/30/398085530.db2.gz QKPICYRWDAEWLV-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC1CCN(C)CC1 ZINC000086065554 398052540 /nfs/dbraw/zinc/05/25/40/398052540.db2.gz GSMHFPZALCJIQB-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)CC(F)F ZINC000566199667 398098976 /nfs/dbraw/zinc/09/89/76/398098976.db2.gz CHCVUIABXVXWKS-QMMMGPOBSA-N 1 3 237.294 0.473 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000309094857 173280755 /nfs/dbraw/zinc/28/07/55/173280755.db2.gz DMELJZZBAREXSI-NXEZZACHSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000309094857 173280756 /nfs/dbraw/zinc/28/07/56/173280756.db2.gz DMELJZZBAREXSI-NXEZZACHSA-N 1 3 215.341 0.298 20 0 BCADHO CN1CCC(C(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000257747090 322873570 /nfs/dbraw/zinc/87/35/70/322873570.db2.gz XTHQLHNXADJQIW-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO CCCCN(CCO)C[C@@H]1CC[NH2+]C1 ZINC000238208651 487570073 /nfs/dbraw/zinc/57/00/73/487570073.db2.gz ISZAZYDTLREEDA-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@H](C)CN1 ZINC000393768869 487579938 /nfs/dbraw/zinc/57/99/38/487579938.db2.gz DJEIIWQQMMDNBJ-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCNCC2)C1 ZINC000082241657 487580474 /nfs/dbraw/zinc/58/04/74/487580474.db2.gz UMWGNOMXJPGYNW-NSHDSACASA-N 1 3 225.336 0.150 20 0 BCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCNCC2)C1 ZINC000082241657 487580480 /nfs/dbraw/zinc/58/04/80/487580480.db2.gz UMWGNOMXJPGYNW-NSHDSACASA-N 1 3 225.336 0.150 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@H](C)[NH3+] ZINC000669389277 487584842 /nfs/dbraw/zinc/58/48/42/487584842.db2.gz QPHNMOPHSSNRPO-MNOVXSKESA-N 1 3 244.383 0.609 20 0 BCADHO CC(C)[C@H](C(=O)N(C)CCC[NH3+])N(C)C ZINC000158753899 487585445 /nfs/dbraw/zinc/58/54/45/487585445.db2.gz NDZZJLUYSNFRJF-SNVBAGLBSA-N 1 3 215.341 0.380 20 0 BCADHO OCC[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000238659036 487590098 /nfs/dbraw/zinc/59/00/98/487590098.db2.gz HDKJLGAUJWLBNT-NEPJUHHUSA-N 1 3 212.337 0.833 20 0 BCADHO [NH3+][C@H]1Cc2ccccc2N(C[C@H]2CNCCO2)C1 ZINC000662280533 409600485 /nfs/dbraw/zinc/60/04/85/409600485.db2.gz DUYLACCPTZNSAJ-QWHCGFSZSA-N 1 3 247.342 0.365 20 0 BCADHO CC(C)([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662424099 409709529 /nfs/dbraw/zinc/70/95/29/409709529.db2.gz NZYAUHXBDVYKSO-UHFFFAOYSA-N 1 3 233.315 0.757 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000662383485 409686940 /nfs/dbraw/zinc/68/69/40/409686940.db2.gz LKSWXTCAWMZALI-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000662513936 409741486 /nfs/dbraw/zinc/74/14/86/409741486.db2.gz HKGRBBWGYGIMEH-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000662513937 409741638 /nfs/dbraw/zinc/74/16/38/409741638.db2.gz HKGRBBWGYGIMEH-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662558473 409757156 /nfs/dbraw/zinc/75/71/56/409757156.db2.gz FZDJQBIMSUPGLP-SKDRFNHKSA-N 1 3 233.315 0.684 20 0 BCADHO CC[NH+](CC)CCCNc1nc(N)nc(N)n1 ZINC000100719067 409781029 /nfs/dbraw/zinc/78/10/29/409781029.db2.gz VDFCRTSUOFEUKD-UHFFFAOYSA-N 1 3 239.327 0.180 20 0 BCADHO C[C@H](CCNC(=O)[C@H](N)C1CCC1)[NH+](C)C ZINC000662632589 409803883 /nfs/dbraw/zinc/80/38/83/409803883.db2.gz FMZDAKIKQMDKLJ-MWLCHTKSSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](CCNC(=O)CNC1CC1)[NH+](C)C ZINC000662636465 409807136 /nfs/dbraw/zinc/80/71/36/409807136.db2.gz YSCWTKJPKJZYFB-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H](CCNC(=O)[C@@H]1NCC1(C)C)[NH+](C)C ZINC000662636502 409807476 /nfs/dbraw/zinc/80/74/76/409807476.db2.gz YVTXKVMOHIVNMR-UWVGGRQHSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)[C@@H](C(=O)NCC12CC(C1)C[NH2+]2)N(C)C ZINC000662719243 409870082 /nfs/dbraw/zinc/87/00/82/409870082.db2.gz YCMZOGLTSVABLK-AKJDGMEZSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](N)CC(F)F ZINC000662731091 409874062 /nfs/dbraw/zinc/87/40/62/409874062.db2.gz XZBQFAVGXOILAD-HTQZYQBOSA-N 1 3 237.294 0.459 20 0 BCADHO C[C@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000308588243 409886323 /nfs/dbraw/zinc/88/63/23/409886323.db2.gz JHFAJDWTFHBEPE-GARJFASQSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000308588243 409886330 /nfs/dbraw/zinc/88/63/30/409886330.db2.gz JHFAJDWTFHBEPE-GARJFASQSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H]([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662775473 409896171 /nfs/dbraw/zinc/89/61/71/409896171.db2.gz WGOYYCLRHWRIHP-QMMMGPOBSA-N 1 3 211.309 0.111 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000660925706 409975057 /nfs/dbraw/zinc/97/50/57/409975057.db2.gz FHVCEAUNOLJWIB-DGCLKSJQSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000660925706 409975063 /nfs/dbraw/zinc/97/50/63/409975063.db2.gz FHVCEAUNOLJWIB-DGCLKSJQSA-N 1 3 244.379 0.533 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000662954181 409987961 /nfs/dbraw/zinc/98/79/61/409987961.db2.gz SRZUDLLAYRAELU-CMPLNLGQSA-N 1 3 235.331 0.281 20 0 BCADHO COCCCN(CCOC)C[C@@H]1CC[NH2+]C1 ZINC000051889749 409938241 /nfs/dbraw/zinc/93/82/41/409938241.db2.gz FMSKDOGKSDVPFF-GFCCVEGCSA-N 1 3 230.352 0.581 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000662839413 409948014 /nfs/dbraw/zinc/94/80/14/409948014.db2.gz QNXLPZNDGAFTQC-WDEREUQCSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000662839413 409948020 /nfs/dbraw/zinc/94/80/20/409948020.db2.gz QNXLPZNDGAFTQC-WDEREUQCSA-N 1 3 237.347 0.611 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662968869 409998604 /nfs/dbraw/zinc/99/86/04/409998604.db2.gz KUMRKSPFPPRDJV-GWCFXTLKSA-N 1 3 247.342 0.945 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653198000 410160383 /nfs/dbraw/zinc/16/03/83/410160383.db2.gz DFKIHLQWNUXZBR-NHCYSSNCSA-N 1 3 225.336 0.311 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000653198308 410160792 /nfs/dbraw/zinc/16/07/92/410160792.db2.gz RLFAVUIMIMSAQZ-ONGXEEELSA-N 1 3 223.320 0.065 20 0 BCADHO CC[C@@H](N)C(=O)NCc1ccccc1C[NH2+]C ZINC000653214193 410165152 /nfs/dbraw/zinc/16/51/52/410165152.db2.gz KUNIIYBHNJXLIX-GFCCVEGCSA-N 1 3 235.331 0.760 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225897 410173050 /nfs/dbraw/zinc/17/30/50/410173050.db2.gz JQDYLMQLZBIYRR-SSDOTTSWSA-N 1 3 225.267 0.248 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742911 410377563 /nfs/dbraw/zinc/37/75/63/410377563.db2.gz HVHGGWZCTSUZIM-ZNSHCXBVSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H](COCC1CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000650760842 410409979 /nfs/dbraw/zinc/40/99/79/410409979.db2.gz NINPSFSQWNTXBU-UWVGGRQHSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@@H](COCC1CC1)[NH2+][C@@H](C)C1CNC1 ZINC000650760842 410409984 /nfs/dbraw/zinc/40/99/84/410409984.db2.gz NINPSFSQWNTXBU-UWVGGRQHSA-N 1 3 212.337 0.999 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655460748 410574750 /nfs/dbraw/zinc/57/47/50/410574750.db2.gz ALCDBWCUXFDLDD-JQWIXIFHSA-N 1 3 225.336 0.054 20 0 BCADHO O=C(CNC1CC1)NCCC1CC[NH2+]CC1 ZINC000653272608 410540300 /nfs/dbraw/zinc/54/03/00/410540300.db2.gz VXWWFFKVYBAHRN-UHFFFAOYSA-N 1 3 225.336 0.244 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000653274636 410554938 /nfs/dbraw/zinc/55/49/38/410554938.db2.gz LEYJVRGTTUISLI-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CN(CCN1CCCCC1)C(=O)CC[NH3+] ZINC000653274676 410555225 /nfs/dbraw/zinc/55/52/25/410555225.db2.gz MJGUSWMGFNGYND-UHFFFAOYSA-N 1 3 213.325 0.280 20 0 BCADHO CO[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCOC1 ZINC000665235368 410727509 /nfs/dbraw/zinc/72/75/09/410727509.db2.gz VAIIPUAZRAPBOV-WUHRBBMRSA-N 1 3 242.363 0.897 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665262108 410734897 /nfs/dbraw/zinc/73/48/97/410734897.db2.gz UJIQVJNPPIRHIH-ZRUFSTJUSA-N 1 3 216.325 0.099 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@]1(F)CCNC1 ZINC000372121696 169774075 /nfs/dbraw/zinc/77/40/75/169774075.db2.gz OYMMPONIAXBYOT-LBPRGKRZSA-N 1 3 245.342 0.536 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CCCN(C)C1 ZINC000040673740 410886448 /nfs/dbraw/zinc/88/64/48/410886448.db2.gz BUGMXZPNYNZRFL-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396428605 410881492 /nfs/dbraw/zinc/88/14/92/410881492.db2.gz CRZBWJTVZVIHLP-ONGXEEELSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000336680764 167002904 /nfs/dbraw/zinc/00/29/04/167002904.db2.gz GTOQYJUOFMRNST-UHFFFAOYSA-N 1 3 200.326 0.689 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000041680057 169785033 /nfs/dbraw/zinc/78/50/33/169785033.db2.gz CBPGIOGPKTVYAA-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)OC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000337340428 167254359 /nfs/dbraw/zinc/25/43/59/167254359.db2.gz PJHUZFDPPBIIAB-GFCCVEGCSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000368373772 167343632 /nfs/dbraw/zinc/34/36/32/167343632.db2.gz HEESXQBYDRNOGT-TUAOUCFPSA-N 1 3 239.363 0.393 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C ZINC000045108027 167395164 /nfs/dbraw/zinc/39/51/64/167395164.db2.gz RYAYFKUXFLWRLW-NXEZZACHSA-N 1 3 215.341 0.284 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309252480 167413664 /nfs/dbraw/zinc/41/36/64/167413664.db2.gz FJSZASAGEGUWSQ-MWLCHTKSSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C1CCC1)[NH+]1CCCC1 ZINC000399088771 411015020 /nfs/dbraw/zinc/01/50/20/411015020.db2.gz VRKJCFOSGCKWKA-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@@H](C)[NH3+] ZINC000399692548 411059546 /nfs/dbraw/zinc/05/95/46/411059546.db2.gz YMKBNQUSGLNPRO-UTUOFQBUSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000309399765 411163476 /nfs/dbraw/zinc/16/34/76/411163476.db2.gz HEJFREQJIHBRDP-LPEHRKFASA-N 1 3 213.325 0.165 20 0 BCADHO CCC(C)(C)N1CCN(CCOCC[NH3+])CC1 ZINC000655945713 411161220 /nfs/dbraw/zinc/16/12/20/411161220.db2.gz FPDHHCMDEAFXOC-UHFFFAOYSA-N 1 3 243.395 0.768 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504550 411115394 /nfs/dbraw/zinc/11/53/94/411115394.db2.gz FHHOFDQWTAXZIB-POYBYMJQSA-N 1 3 241.257 0.510 20 0 BCADHO CN(CCN1CCCCC1)C(=O)NCCC[NH3+] ZINC000652203271 411170925 /nfs/dbraw/zinc/17/09/25/411170925.db2.gz HDDFVEXVNYOPAT-UHFFFAOYSA-N 1 3 242.367 0.463 20 0 BCADHO CN(CCCC1CC[NH2+]CC1)CC(=O)N(C)C ZINC000401028557 411173702 /nfs/dbraw/zinc/17/37/02/411173702.db2.gz BGFKIRPSVVMRPS-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCC[C@H]1CN(C)C ZINC000061644095 411174800 /nfs/dbraw/zinc/17/48/00/411174800.db2.gz RDFRXSRAFZFOBN-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nncn1C ZINC000401050644 411174843 /nfs/dbraw/zinc/17/48/43/411174843.db2.gz XYTVYQBKUCCGNF-WHOHXGKFSA-N 1 3 249.362 0.854 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132956117 411177680 /nfs/dbraw/zinc/17/76/80/411177680.db2.gz MMOYFRJKGAWXFH-AXFHLTTASA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132956117 411177682 /nfs/dbraw/zinc/17/76/82/411177682.db2.gz MMOYFRJKGAWXFH-AXFHLTTASA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133566 411243635 /nfs/dbraw/zinc/24/36/35/411243635.db2.gz MYCWSMXIWAGCOP-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133566 411243636 /nfs/dbraw/zinc/24/36/36/411243636.db2.gz MYCWSMXIWAGCOP-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO NC[C@@H](NC(=O)CC[NH2+]C1CC1)C(F)(F)F ZINC000655517098 411187057 /nfs/dbraw/zinc/18/70/57/411187057.db2.gz DIUQDDAYKOSHIZ-SSDOTTSWSA-N 1 3 239.241 0.134 20 0 BCADHO Cn1cc(CC[NH2+][C@H]2CCNCC2(C)C)cn1 ZINC000310068203 411201488 /nfs/dbraw/zinc/20/14/88/411201488.db2.gz WMBCWQVRSZTFJN-LBPRGKRZSA-N 1 3 236.363 0.940 20 0 BCADHO Cn1cc(CCN[C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000310068203 411201490 /nfs/dbraw/zinc/20/14/90/411201490.db2.gz WMBCWQVRSZTFJN-LBPRGKRZSA-N 1 3 236.363 0.940 20 0 BCADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000656199098 411201530 /nfs/dbraw/zinc/20/15/30/411201530.db2.gz LIZACRJKAWNGBG-YVECIDJPSA-N 1 3 242.363 0.897 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338479 411204205 /nfs/dbraw/zinc/20/42/05/411204205.db2.gz ICPMTHOPRFDOEU-NWDGAFQWSA-N 1 3 228.336 0.069 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000652338479 411204208 /nfs/dbraw/zinc/20/42/08/411204208.db2.gz ICPMTHOPRFDOEU-NWDGAFQWSA-N 1 3 228.336 0.069 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@]2(CCOC2)C1 ZINC000652338479 411204211 /nfs/dbraw/zinc/20/42/11/411204211.db2.gz ICPMTHOPRFDOEU-NWDGAFQWSA-N 1 3 228.336 0.069 20 0 BCADHO C[C@@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658029136 411205382 /nfs/dbraw/zinc/20/53/82/411205382.db2.gz GOZNTCUDPHZNFG-WODVXLOZSA-N 1 3 249.362 0.881 20 0 BCADHO C[C@@H](Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658029136 411205385 /nfs/dbraw/zinc/20/53/85/411205385.db2.gz GOZNTCUDPHZNFG-WODVXLOZSA-N 1 3 249.362 0.881 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCCC[C@H](COC)C1 ZINC000652341541 411207272 /nfs/dbraw/zinc/20/72/72/411207272.db2.gz XPJFQJPCRPSFIO-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCCC[C@H](COC)C1 ZINC000652341541 411207276 /nfs/dbraw/zinc/20/72/76/411207276.db2.gz XPJFQJPCRPSFIO-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCCC[C@H](COC)C1 ZINC000652341541 411207279 /nfs/dbraw/zinc/20/72/79/411207279.db2.gz XPJFQJPCRPSFIO-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO C[C@H](CO)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000652358563 411213537 /nfs/dbraw/zinc/21/35/37/411213537.db2.gz RVVFQCAFQOYXRV-VXGBXAGGSA-N 1 3 226.364 0.936 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000652358566 411213755 /nfs/dbraw/zinc/21/37/55/411213755.db2.gz RWTAMZDRXDRPGA-WCQYABFASA-N 1 3 244.379 0.297 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000659293728 411214437 /nfs/dbraw/zinc/21/44/37/411214437.db2.gz GZCCBNUVWLEXCG-GHMZBOCLSA-N 1 3 227.352 0.489 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000659293731 411214497 /nfs/dbraw/zinc/21/44/97/411214497.db2.gz GZCCBNUVWLEXCG-MNOVXSKESA-N 1 3 227.352 0.489 20 0 BCADHO C[N@H+](CCc1ccccc1)C[C@@H](O)CN ZINC000077302150 411217713 /nfs/dbraw/zinc/21/77/13/411217713.db2.gz ZKXKAYRTOWQEIQ-LBPRGKRZSA-N 1 3 208.305 0.481 20 0 BCADHO C[N@@H+](CCc1ccccc1)C[C@@H](O)CN ZINC000077302150 411217718 /nfs/dbraw/zinc/21/77/18/411217718.db2.gz ZKXKAYRTOWQEIQ-LBPRGKRZSA-N 1 3 208.305 0.481 20 0 BCADHO C[N@H+](CCc1ccccc1)C[C@H](O)CN ZINC000077302147 411217843 /nfs/dbraw/zinc/21/78/43/411217843.db2.gz ZKXKAYRTOWQEIQ-GFCCVEGCSA-N 1 3 208.305 0.481 20 0 BCADHO C[N@@H+](CCc1ccccc1)C[C@H](O)CN ZINC000077302147 411217846 /nfs/dbraw/zinc/21/78/46/411217846.db2.gz ZKXKAYRTOWQEIQ-GFCCVEGCSA-N 1 3 208.305 0.481 20 0 BCADHO CC(C)[NH2+]CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000659295858 411225791 /nfs/dbraw/zinc/22/57/91/411225791.db2.gz GEGLXDXGGLTFPR-NXEZZACHSA-N 1 3 213.325 0.193 20 0 BCADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)N(C)C ZINC000396728956 411240636 /nfs/dbraw/zinc/24/06/36/411240636.db2.gz CKCPMNKWIADHHO-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000400958377 411166671 /nfs/dbraw/zinc/16/66/71/411166671.db2.gz IAQDIEQPOWKAHX-HBNTYKKESA-N 1 3 220.320 0.887 20 0 BCADHO NCc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450632 411272651 /nfs/dbraw/zinc/27/26/51/411272651.db2.gz YAOBNUXHOJOHQM-UHFFFAOYSA-N 1 3 241.364 0.176 20 0 BCADHO CC(C)(N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466690 411278742 /nfs/dbraw/zinc/27/87/42/411278742.db2.gz GVYOIGWCKAUEBX-QMMMGPOBSA-N 1 3 209.297 0.396 20 0 BCADHO CC(C)(C)[C@@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467459 411279737 /nfs/dbraw/zinc/27/97/37/411279737.db2.gz CIPBROPWDWPTIC-WPRPVWTQSA-N 1 3 223.324 0.858 20 0 BCADHO CCN(CC[C@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919203 411286341 /nfs/dbraw/zinc/28/63/41/411286341.db2.gz CAPUMUUZOIIBLW-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CSC1CCN(CCOCC[NH3+])CC1 ZINC000300887687 411292679 /nfs/dbraw/zinc/29/26/79/411292679.db2.gz UASJXPMSZFALER-UHFFFAOYSA-N 1 3 218.366 0.789 20 0 BCADHO CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259667 411318169 /nfs/dbraw/zinc/31/81/69/411318169.db2.gz NGGNMRYGWZBUBD-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@@H](C)C1 ZINC000658259667 411318171 /nfs/dbraw/zinc/31/81/71/411318171.db2.gz NGGNMRYGWZBUBD-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@]1(CN2CC[C@@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786836 411366110 /nfs/dbraw/zinc/36/61/10/411366110.db2.gz AZINWEUWBLLRMF-CHWSQXEVSA-N 1 3 249.362 0.600 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000070188591 411371283 /nfs/dbraw/zinc/37/12/83/411371283.db2.gz LKESHDGDIXTGPH-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CC1CC([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000309089890 168145967 /nfs/dbraw/zinc/14/59/67/168145967.db2.gz ARBPGXFUYCDCLD-UHFFFAOYSA-N 1 3 212.337 0.831 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)NCCN1CCC(C)CC1 ZINC000040772494 168181479 /nfs/dbraw/zinc/18/14/79/168181479.db2.gz AKPJTXZQQBWVCL-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO CN1CCC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000662235824 411384458 /nfs/dbraw/zinc/38/44/58/411384458.db2.gz TWKHZPWSCJCFNP-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)NCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000659311538 411392954 /nfs/dbraw/zinc/39/29/54/411392954.db2.gz WUSHXNYBCMIZKM-LLVKDONJSA-N 1 3 227.352 0.633 20 0 BCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)C ZINC000657071594 411402271 /nfs/dbraw/zinc/40/22/71/411402271.db2.gz RVPDLCDJXQUQSR-NSHDSACASA-N 1 3 244.383 0.530 20 0 BCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)C ZINC000657071594 411402272 /nfs/dbraw/zinc/40/22/72/411402272.db2.gz RVPDLCDJXQUQSR-NSHDSACASA-N 1 3 244.383 0.530 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653054079 411406000 /nfs/dbraw/zinc/40/60/00/411406000.db2.gz UNBLFRQLFBUIBQ-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H](C)[NH3+] ZINC000659388571 411410537 /nfs/dbraw/zinc/41/05/37/411410537.db2.gz KJACGGOAGYZTGP-LNFKQOIKSA-N 1 3 245.342 0.504 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000659450662 411415613 /nfs/dbraw/zinc/41/56/13/411415613.db2.gz DJXMSHPRQFLMLI-UWVGGRQHSA-N 1 3 242.367 0.376 20 0 BCADHO CCO[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405319251 411424926 /nfs/dbraw/zinc/42/49/26/411424926.db2.gz YHDMWIYOBUGKSP-JHJVBQTASA-N 1 3 242.363 0.709 20 0 BCADHO CCO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000405319251 411424930 /nfs/dbraw/zinc/42/49/30/411424930.db2.gz YHDMWIYOBUGKSP-JHJVBQTASA-N 1 3 242.363 0.709 20 0 BCADHO CCO[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000405319251 411424933 /nfs/dbraw/zinc/42/49/33/411424933.db2.gz YHDMWIYOBUGKSP-JHJVBQTASA-N 1 3 242.363 0.709 20 0 BCADHO CCC[NH2+]CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659525008 411428157 /nfs/dbraw/zinc/42/81/57/411428157.db2.gz CFYWEMHZRVTABV-NXEZZACHSA-N 1 3 246.330 0.067 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000659551555 411434681 /nfs/dbraw/zinc/43/46/81/411434681.db2.gz VFRPCCOGCWUXQE-VWYCJHECSA-N 1 3 242.367 0.506 20 0 BCADHO CCO[C@@H]1CN(CCCF)C[C@H]1C[NH3+] ZINC000405626301 411437317 /nfs/dbraw/zinc/43/73/17/411437317.db2.gz XNEGLWRGLICWNH-NXEZZACHSA-N 1 3 204.289 0.642 20 0 BCADHO CCCN1CC[C@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659611149 411441603 /nfs/dbraw/zinc/44/16/03/411441603.db2.gz PTOWBAKJDYTUGX-QWRGUYRKSA-N 1 3 240.351 0.213 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000659611150 411441698 /nfs/dbraw/zinc/44/16/98/411441698.db2.gz PTOWBAKJDYTUGX-WDEREUQCSA-N 1 3 240.351 0.213 20 0 BCADHO CCCN(C(=O)[C@@H](CC)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000637834215 411444300 /nfs/dbraw/zinc/44/43/00/411444300.db2.gz YTJCEZZXAXCFOW-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000659634194 411444659 /nfs/dbraw/zinc/44/46/59/411444659.db2.gz JEIXJCONISGFPQ-SNVBAGLBSA-N 1 3 240.351 0.084 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000659644953 411447109 /nfs/dbraw/zinc/44/71/09/411447109.db2.gz ICYHQEVUVTUWTH-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659516334 411470540 /nfs/dbraw/zinc/47/05/40/411470540.db2.gz IAKDPZFEYAARGO-KXUCPTDWSA-N 1 3 246.330 0.050 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000659529223 411486206 /nfs/dbraw/zinc/48/62/06/411486206.db2.gz APCMFEGNZWIHBA-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO c1cncc([C@H]2CNCCN2C[C@H]2CC[NH2+]C2)c1 ZINC000647952924 411495445 /nfs/dbraw/zinc/49/54/45/411495445.db2.gz FPCPAGLVGRLYSO-GXTWGEPZSA-N 1 3 246.358 0.637 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1NCC1(C)C ZINC000309478801 411497352 /nfs/dbraw/zinc/49/73/52/411497352.db2.gz CWHBQGHFXDODFP-BDAKNGLRSA-N 1 3 213.325 0.099 20 0 BCADHO CC(C)(C)CN(CCO)C[C@@H]1CC[NH2+]C1 ZINC000309484570 411498938 /nfs/dbraw/zinc/49/89/38/411498938.db2.gz FSXYODLXEAXJNU-LLVKDONJSA-N 1 3 214.353 0.936 20 0 BCADHO CNCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873077 411511939 /nfs/dbraw/zinc/51/19/39/411511939.db2.gz CBTIEZONFHBZLY-GFCCVEGCSA-N 1 3 235.331 0.282 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000659544196 411511996 /nfs/dbraw/zinc/51/19/96/411511996.db2.gz QYVQZXZWNALZMO-PGLGOXFNSA-N 1 3 240.351 0.285 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999703 170009857 /nfs/dbraw/zinc/00/98/57/170009857.db2.gz UFJRPAWHTQKHSN-JHJVBQTASA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C[C@@H](O)COC)[C@H](C)C1 ZINC000127999703 170009859 /nfs/dbraw/zinc/00/98/59/170009859.db2.gz UFJRPAWHTQKHSN-JHJVBQTASA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN)[C@@H](C)C1 ZINC000246262661 170010571 /nfs/dbraw/zinc/01/05/71/170010571.db2.gz LDJYNLHXHYCWKM-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CN)[C@@H](C)C1 ZINC000246262661 170010572 /nfs/dbraw/zinc/01/05/72/170010572.db2.gz LDJYNLHXHYCWKM-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)[C@@H](C)C1 ZINC000236846672 170010733 /nfs/dbraw/zinc/01/07/33/170010733.db2.gz PFISQAIHJLOXSU-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)[C@@H](C)C1 ZINC000236846672 170010734 /nfs/dbraw/zinc/01/07/34/170010734.db2.gz PFISQAIHJLOXSU-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO CCN1CC[C@@H]([NH2+]CCN(C)C)[C@@H](C)C1 ZINC000308864806 170011981 /nfs/dbraw/zinc/01/19/81/170011981.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCN(C)C)[C@@H](C)C1 ZINC000308864806 170011983 /nfs/dbraw/zinc/01/19/83/170011983.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCN(C)C)[C@@H](C)C1 ZINC000308864806 170011984 /nfs/dbraw/zinc/01/19/84/170011984.db2.gz ABRMKFZHJSRNDV-NWDGAFQWSA-N 1 3 213.369 0.868 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335150627 170013362 /nfs/dbraw/zinc/01/33/62/170013362.db2.gz PBPOEQJBYLGKPQ-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335150627 170013363 /nfs/dbraw/zinc/01/33/63/170013363.db2.gz PBPOEQJBYLGKPQ-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464018 170015758 /nfs/dbraw/zinc/01/57/58/170015758.db2.gz IGDRZIASAYLXKY-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464018 170015759 /nfs/dbraw/zinc/01/57/59/170015759.db2.gz IGDRZIASAYLXKY-GHMZBOCLSA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)COC)C1 ZINC000250361149 170017113 /nfs/dbraw/zinc/01/71/13/170017113.db2.gz UAJSUKJGWPIBRH-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@H](C)COC)C1 ZINC000250361149 170017114 /nfs/dbraw/zinc/01/71/14/170017114.db2.gz UAJSUKJGWPIBRH-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CN)[C@@H](C)C1 ZINC000246262641 170016606 /nfs/dbraw/zinc/01/66/06/170016606.db2.gz LDJYNLHXHYCWKM-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CN)[C@@H](C)C1 ZINC000246262641 170016607 /nfs/dbraw/zinc/01/66/07/170016607.db2.gz LDJYNLHXHYCWKM-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H](COC)OC)[C@@H](C)C1 ZINC000358428909 170020163 /nfs/dbraw/zinc/02/01/63/170020163.db2.gz DWKKBHSVJCZMOF-AVGNSLFASA-N 1 3 244.379 0.968 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H](COC)OC)[C@@H](C)C1 ZINC000358428909 170020164 /nfs/dbraw/zinc/02/01/64/170020164.db2.gz DWKKBHSVJCZMOF-AVGNSLFASA-N 1 3 244.379 0.968 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH2+]C ZINC000367641900 170023919 /nfs/dbraw/zinc/02/39/19/170023919.db2.gz FZDGTDHBFBFXEF-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332600930 170040924 /nfs/dbraw/zinc/04/09/24/170040924.db2.gz AULWXNAVCLXBSW-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000113656115 170111953 /nfs/dbraw/zinc/11/19/53/170111953.db2.gz GAJHVSPEPWMGHN-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC[NH2+]CCNC(=O)C1(N)CCCCC1 ZINC000236887623 170113756 /nfs/dbraw/zinc/11/37/56/170113756.db2.gz LIILOYSEVZFQRP-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CC[NH2+]CCNC(=O)C[C@H](N)c1ccccc1 ZINC000236917220 170114637 /nfs/dbraw/zinc/11/46/37/170114637.db2.gz YTXDSNRSTOBQOY-LBPRGKRZSA-N 1 3 235.331 0.802 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000358914779 170140187 /nfs/dbraw/zinc/14/01/87/170140187.db2.gz MLHVHIQTTOFUOU-QWRGUYRKSA-N 1 3 229.368 0.687 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000368311492 170206345 /nfs/dbraw/zinc/20/63/45/170206345.db2.gz AKMJWKWRIWQVSQ-CYBMUJFWSA-N 1 3 240.347 0.967 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000368311492 170206346 /nfs/dbraw/zinc/20/63/46/170206346.db2.gz AKMJWKWRIWQVSQ-CYBMUJFWSA-N 1 3 240.347 0.967 20 0 BCADHO CCN1CCN(CCNc2cc[nH+]cc2C)CC1 ZINC000663398300 411647342 /nfs/dbraw/zinc/64/73/42/411647342.db2.gz PQAPWBCPFNDUNO-UHFFFAOYSA-N 1 3 248.374 0.861 20 0 BCADHO C[C@H](Cn1cncn1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000657836916 411609434 /nfs/dbraw/zinc/60/94/34/411609434.db2.gz XVHBZMZDPSBIGG-VXGBXAGGSA-N 1 3 249.362 0.741 20 0 BCADHO C[C@H](Cn1cncn1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000657836916 411609436 /nfs/dbraw/zinc/60/94/36/411609436.db2.gz XVHBZMZDPSBIGG-VXGBXAGGSA-N 1 3 249.362 0.741 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657840716 411609861 /nfs/dbraw/zinc/60/98/61/411609861.db2.gz VLRAAQKQJHREQH-UPJWGTAASA-N 1 3 249.362 0.883 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657840716 411609863 /nfs/dbraw/zinc/60/98/63/411609863.db2.gz VLRAAQKQJHREQH-UPJWGTAASA-N 1 3 249.362 0.883 20 0 BCADHO CNC(=O)CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656834 411614266 /nfs/dbraw/zinc/61/42/66/411614266.db2.gz YLRMWJCBZVYUAG-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CNC(=O)CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656834 411614267 /nfs/dbraw/zinc/61/42/67/411614267.db2.gz YLRMWJCBZVYUAG-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CC[NH2+]CCNCc1nc2c(s1)CNCC2 ZINC000663495287 411674795 /nfs/dbraw/zinc/67/47/95/411674795.db2.gz WUILDTYJJXKTFH-UHFFFAOYSA-N 1 3 240.376 0.488 20 0 BCADHO C[C@H](CC[NH3+])NCc1nc2c(s1)CNCC2 ZINC000663495656 411674856 /nfs/dbraw/zinc/67/48/56/411674856.db2.gz ADSIGNZBLFIITK-MRVPVSSYSA-N 1 3 240.376 0.616 20 0 BCADHO CN(CC[NH3+])Cc1nc2c(s1)CNCC2 ZINC000663496267 411677876 /nfs/dbraw/zinc/67/78/76/411677876.db2.gz FRCVYPFOVZKNKM-UHFFFAOYSA-N 1 3 226.349 0.179 20 0 BCADHO C([NH2+][C@H]1CCCOCC1)C12CC(C1)CN2 ZINC000663499620 411683939 /nfs/dbraw/zinc/68/39/39/411683939.db2.gz ZNGBIRAWVYFKOD-CXQJBGSLSA-N 1 3 210.321 0.897 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H](CO)C1CCC1 ZINC000661151567 411721006 /nfs/dbraw/zinc/72/10/06/411721006.db2.gz DDEOTZJRSBVXGL-NEPJUHHUSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](CO)C1CCC1 ZINC000661151567 411721008 /nfs/dbraw/zinc/72/10/08/411721008.db2.gz DDEOTZJRSBVXGL-NEPJUHHUSA-N 1 3 230.352 0.050 20 0 BCADHO Nc1ccc(CNCCOCCC[NH3+])cn1 ZINC000629660827 411976890 /nfs/dbraw/zinc/97/68/90/411976890.db2.gz ZVUIPHSUOFTGIZ-UHFFFAOYSA-N 1 3 224.308 0.119 20 0 BCADHO CCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662153616 412008628 /nfs/dbraw/zinc/00/86/28/412008628.db2.gz ASCOIGAUIVVIDP-GFCCVEGCSA-N 1 3 212.337 0.927 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)CNC ZINC000664720259 412014943 /nfs/dbraw/zinc/01/49/43/412014943.db2.gz JORYNTLBDBLOHP-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)CNC ZINC000664720259 412014945 /nfs/dbraw/zinc/01/49/45/412014945.db2.gz JORYNTLBDBLOHP-UHFFFAOYSA-N 1 3 215.341 0.442 20 0 BCADHO CC(C)[C@](C)(CN)[NH2+]C[C@@H]1CCC2(CNC2)O1 ZINC000662247873 412045244 /nfs/dbraw/zinc/04/52/44/412045244.db2.gz NNGIJSGLGCVFLL-RYUDHWBXSA-N 1 3 241.379 0.470 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C[C@@H]1CNCCO1 ZINC000662248212 412047640 /nfs/dbraw/zinc/04/76/40/412047640.db2.gz WECZRLIOGLBJKE-RYUDHWBXSA-N 1 3 229.368 0.280 20 0 BCADHO C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662255085 412048935 /nfs/dbraw/zinc/04/89/35/412048935.db2.gz OGBBCQBRIRIMII-GHMZBOCLSA-N 1 3 210.321 0.992 20 0 BCADHO C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662255085 412048936 /nfs/dbraw/zinc/04/89/36/412048936.db2.gz OGBBCQBRIRIMII-GHMZBOCLSA-N 1 3 210.321 0.992 20 0 BCADHO COC[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255079 412049332 /nfs/dbraw/zinc/04/93/32/412049332.db2.gz OFXHTDIAXWOQQN-NEPJUHHUSA-N 1 3 240.347 0.476 20 0 BCADHO COC[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662255079 412049335 /nfs/dbraw/zinc/04/93/35/412049335.db2.gz OFXHTDIAXWOQQN-NEPJUHHUSA-N 1 3 240.347 0.476 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254625 412049566 /nfs/dbraw/zinc/04/95/66/412049566.db2.gz QVVOCDWDHYXCID-MNOVXSKESA-N 1 3 210.321 0.849 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254625 412049570 /nfs/dbraw/zinc/04/95/70/412049570.db2.gz QVVOCDWDHYXCID-MNOVXSKESA-N 1 3 210.321 0.849 20 0 BCADHO CCCN(C[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000662262969 412053323 /nfs/dbraw/zinc/05/33/23/412053323.db2.gz JHYBAJFGQQRVQS-CYBMUJFWSA-N 1 3 241.379 0.439 20 0 BCADHO COC[C@@H](C[N@H+](C)C1(CN)CCC1)OC ZINC000662273290 412064657 /nfs/dbraw/zinc/06/46/57/412064657.db2.gz LIQJGDGFIQKVDT-SNVBAGLBSA-N 1 3 216.325 0.461 20 0 BCADHO COC[C@@H](C[N@@H+](C)C1(CN)CCC1)OC ZINC000662273290 412064658 /nfs/dbraw/zinc/06/46/58/412064658.db2.gz LIQJGDGFIQKVDT-SNVBAGLBSA-N 1 3 216.325 0.461 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000353473816 171149187 /nfs/dbraw/zinc/14/91/87/171149187.db2.gz VOXBXTADWROICB-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@]1(C(=O)NC2CCN(C)CC2)CCC[NH2+]1 ZINC000128761066 171195812 /nfs/dbraw/zinc/19/58/12/171195812.db2.gz FAULNUUQOIHDON-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N(C)C ZINC000373041639 171225990 /nfs/dbraw/zinc/22/59/90/171225990.db2.gz HFASKCNARXKUBC-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(N)=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200502 171243493 /nfs/dbraw/zinc/24/34/93/171243493.db2.gz OEVHKTMRYSQRHS-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO OCC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662282902 412074285 /nfs/dbraw/zinc/07/42/85/412074285.db2.gz DFLKWGQMWMCIKP-GFCCVEGCSA-N 1 3 240.347 0.212 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)OC ZINC000662284201 412075592 /nfs/dbraw/zinc/07/55/92/412075592.db2.gz GATFSVOTRIGTND-AVGNSLFASA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@H](C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)OC ZINC000662284201 412075597 /nfs/dbraw/zinc/07/55/97/412075597.db2.gz GATFSVOTRIGTND-AVGNSLFASA-N 1 3 242.363 0.709 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)CNC ZINC000226396682 171307059 /nfs/dbraw/zinc/30/70/59/171307059.db2.gz FBNZSNCVCFUJBT-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CNC ZINC000226396682 171307062 /nfs/dbraw/zinc/30/70/62/171307062.db2.gz FBNZSNCVCFUJBT-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@H](C)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304754 171319789 /nfs/dbraw/zinc/31/97/89/171319789.db2.gz NJOQADPZXQXZSN-RYUDHWBXSA-N 1 3 211.353 0.764 20 0 BCADHO CC[C@H](C)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304754 171319790 /nfs/dbraw/zinc/31/97/90/171319790.db2.gz NJOQADPZXQXZSN-RYUDHWBXSA-N 1 3 211.353 0.764 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679579 171371462 /nfs/dbraw/zinc/37/14/62/171371462.db2.gz JXLLGZBFHVEUFR-WDEREUQCSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226399483 171371742 /nfs/dbraw/zinc/37/17/42/171371742.db2.gz PVXFZGHFFQRGIC-HOSYDEDBSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226399483 171371743 /nfs/dbraw/zinc/37/17/43/171371743.db2.gz PVXFZGHFFQRGIC-HOSYDEDBSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192234 171393980 /nfs/dbraw/zinc/39/39/80/171393980.db2.gz SDFARXHROFNTKZ-JQWIXIFHSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309404701 171394175 /nfs/dbraw/zinc/39/41/75/171394175.db2.gz HWKRLHGCGVHGSA-JLIMGVALSA-N 1 3 213.325 0.308 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812620 171394759 /nfs/dbraw/zinc/39/47/59/171394759.db2.gz MIRHUBURNMQKPO-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812620 171394760 /nfs/dbraw/zinc/39/47/60/171394760.db2.gz MIRHUBURNMQKPO-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133403 171395159 /nfs/dbraw/zinc/39/51/59/171395159.db2.gz UONFLPAJNFMHRA-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133403 171395160 /nfs/dbraw/zinc/39/51/60/171395160.db2.gz UONFLPAJNFMHRA-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237032510 171395608 /nfs/dbraw/zinc/39/56/08/171395608.db2.gz YNMRECXAUZJGNW-TUAOUCFPSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503492 171396832 /nfs/dbraw/zinc/39/68/32/171396832.db2.gz SRCSQMGRXBSMRJ-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCC[C@H](C)C1 ZINC000662388265 412140562 /nfs/dbraw/zinc/14/05/62/412140562.db2.gz OZZKXKNZHFMMEK-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@]12COC[C@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000662311483 412091608 /nfs/dbraw/zinc/09/16/08/412091608.db2.gz SSNQIYHEVOJCFI-UTUOFQBUSA-N 1 3 210.321 0.564 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662389958 412141581 /nfs/dbraw/zinc/14/15/81/412141581.db2.gz ZAWGQYUMEWYKAL-LLVKDONJSA-N 1 3 245.326 0.853 20 0 BCADHO C[C@@H]1CCN(CCOCC[NH3+])C[C@H](C)O1 ZINC000662312160 412094068 /nfs/dbraw/zinc/09/40/68/412094068.db2.gz HCFPEPMUPSDUMJ-MNOVXSKESA-N 1 3 216.325 0.461 20 0 BCADHO CN(CCOCC[NH3+])CC1=CCSC1 ZINC000662326812 412104830 /nfs/dbraw/zinc/10/48/30/412104830.db2.gz CPPMHCUIXGELOI-UHFFFAOYSA-N 1 3 216.350 0.567 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662332458 412106383 /nfs/dbraw/zinc/10/63/83/412106383.db2.gz WDQNDNVLTIOYIX-CMPLNLGQSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662332458 412106390 /nfs/dbraw/zinc/10/63/90/412106390.db2.gz WDQNDNVLTIOYIX-CMPLNLGQSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@@H]1CC1(C)C ZINC000662332458 412106392 /nfs/dbraw/zinc/10/63/92/412106392.db2.gz WDQNDNVLTIOYIX-CMPLNLGQSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC1CCN(CC)CC1 ZINC000662364851 412125470 /nfs/dbraw/zinc/12/54/70/412125470.db2.gz LPMQWVVDJQJPEJ-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H]1CCCO1 ZINC000665236386 412176644 /nfs/dbraw/zinc/17/66/44/412176644.db2.gz LTIUUIYYBSGKCL-BJDJZHNGSA-N 1 3 228.336 0.507 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000662451115 412179759 /nfs/dbraw/zinc/17/97/59/412179759.db2.gz ZSIZFHQQNPMAIS-SRVKXCTJSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000662450913 412180308 /nfs/dbraw/zinc/18/03/08/412180308.db2.gz FLZWTPUXXBEIAS-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665244155 412187593 /nfs/dbraw/zinc/18/75/93/412187593.db2.gz HKHBKFNIGOXOLO-WUHRBBMRSA-N 1 3 242.363 0.768 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000662498168 412196491 /nfs/dbraw/zinc/19/64/91/412196491.db2.gz PBBITJRCSBZPCK-ZMLRMANQSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000662514205 412201691 /nfs/dbraw/zinc/20/16/91/412201691.db2.gz LJXDCVRYHFEJIE-BBBLOLIVSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000662513935 412201794 /nfs/dbraw/zinc/20/17/94/412201794.db2.gz HKGRBBWGYGIMEH-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000662527955 412205750 /nfs/dbraw/zinc/20/57/50/412205750.db2.gz HNKVLAHIFKZSFD-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]1CN(C)C ZINC000662527956 412206044 /nfs/dbraw/zinc/20/60/44/412206044.db2.gz HNKVLAHIFKZSFD-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000662539668 412209154 /nfs/dbraw/zinc/20/91/54/412209154.db2.gz HBKWPWNDDNTXHU-UTLUCORTSA-N 1 3 225.336 0.336 20 0 BCADHO CC(C)[NH2+]CC(=O)N(CCN(C)C)C1CC1 ZINC000662542986 412209897 /nfs/dbraw/zinc/20/98/97/412209897.db2.gz UEMZEKWDMFHZQL-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662548119 412211449 /nfs/dbraw/zinc/21/14/49/412211449.db2.gz BKGDVQIISKAONL-SECBINFHSA-N 1 3 233.315 0.614 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000662397466 412147866 /nfs/dbraw/zinc/14/78/66/412147866.db2.gz FAOUMXDWLWXICG-KXUCPTDWSA-N 1 3 213.325 0.323 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000662404203 412150397 /nfs/dbraw/zinc/15/03/97/412150397.db2.gz QVHVITVVPKBLQF-TUAOUCFPSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000662404203 412150398 /nfs/dbraw/zinc/15/03/98/412150398.db2.gz QVHVITVVPKBLQF-TUAOUCFPSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000662404203 412150400 /nfs/dbraw/zinc/15/04/00/412150400.db2.gz QVHVITVVPKBLQF-TUAOUCFPSA-N 1 3 241.379 0.831 20 0 BCADHO CC[NH2+]CCNC(=O)c1cccc2c1CNC2 ZINC000662409275 412154876 /nfs/dbraw/zinc/15/48/76/412154876.db2.gz JRXYUPMLCZSVMQ-UHFFFAOYSA-N 1 3 233.315 0.629 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000662415624 412157073 /nfs/dbraw/zinc/15/70/73/412157073.db2.gz IJIQFDKEDFJMCH-AEJSXWLSSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@@H](N)c1ccccc1 ZINC000662413881 412157575 /nfs/dbraw/zinc/15/75/75/412157575.db2.gz RWOAWDAHQOHCJH-GFCCVEGCSA-N 1 3 235.331 0.801 20 0 BCADHO C[C@@H]1C[C@H](NCCNc2cnccn2)CC[N@@H+]1C ZINC000361980187 412159184 /nfs/dbraw/zinc/15/91/84/412159184.db2.gz HZBRUZUAGDHFTP-VXGBXAGGSA-N 1 3 249.362 0.961 20 0 BCADHO C[C@@H]1C[C@H](NCCNc2cnccn2)CC[N@H+]1C ZINC000361980187 412159189 /nfs/dbraw/zinc/15/91/89/412159189.db2.gz HZBRUZUAGDHFTP-VXGBXAGGSA-N 1 3 249.362 0.961 20 0 BCADHO CO[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCOC1 ZINC000665234626 412163253 /nfs/dbraw/zinc/16/32/53/412163253.db2.gz HLPALJMVDUVXLH-DDHJBXDOSA-N 1 3 230.352 0.753 20 0 BCADHO COC[C@H](CC[NH2+][C@H]1CCC[C@@H](N)C1)OC ZINC000665235644 412174774 /nfs/dbraw/zinc/17/47/74/412174774.db2.gz XQODWRJMCFUYPU-WOPDTQHZSA-N 1 3 230.352 0.897 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662649441 412256713 /nfs/dbraw/zinc/25/67/13/412256713.db2.gz POVKZEWZHXPONM-VIFPVBQESA-N 1 3 213.325 0.357 20 0 BCADHO CN1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662662280 412262360 /nfs/dbraw/zinc/26/23/60/412262360.db2.gz PAILJYMFSGIGKQ-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676265 412267234 /nfs/dbraw/zinc/26/72/34/412267234.db2.gz UIEHECAMUZMCKL-CKBZRRDASA-N 1 3 225.336 0.454 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](CC)[NH2+]C)C1 ZINC000662704215 412276830 /nfs/dbraw/zinc/27/68/30/412276830.db2.gz WRMDXHLUVHFRIH-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)N(C)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662721474 412283439 /nfs/dbraw/zinc/28/34/39/412283439.db2.gz WXZXXCZDJLXEHV-UHFFFAOYSA-N 1 3 225.336 0.195 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731951 412286556 /nfs/dbraw/zinc/28/65/56/412286556.db2.gz METOWGKFUPMYRF-DTWKUNHWSA-N 1 3 201.314 0.084 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](N)C1CCC1 ZINC000662731156 412287177 /nfs/dbraw/zinc/28/71/77/412287177.db2.gz YVXNDJIIZWQBIL-GHMZBOCLSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662556881 412216084 /nfs/dbraw/zinc/21/60/84/412216084.db2.gz WUCYTEUUAVGHDF-NXEZZACHSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@@H]1CN(C(=O)CNC(C)C)CC[C@H]1[NH3+] ZINC000662558058 412216708 /nfs/dbraw/zinc/21/67/08/412216708.db2.gz SLOBDDSENGXWLC-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]([NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662558469 412217789 /nfs/dbraw/zinc/21/77/89/412217789.db2.gz FZDJQBIMSUPGLP-CABZTGNLSA-N 1 3 233.315 0.684 20 0 BCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)CNC ZINC000237031891 171607170 /nfs/dbraw/zinc/60/71/70/171607170.db2.gz VJWBCGUERNZPQK-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)CNC ZINC000237031891 171607171 /nfs/dbraw/zinc/60/71/71/171607171.db2.gz VJWBCGUERNZPQK-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000662570009 412224064 /nfs/dbraw/zinc/22/40/64/412224064.db2.gz FFWFRCUZXWLUDK-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000662575962 412225853 /nfs/dbraw/zinc/22/58/53/412225853.db2.gz XMFXIBIIQSVHQU-KXUCPTDWSA-N 1 3 213.325 0.038 20 0 BCADHO CCCN(C)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662609475 412239722 /nfs/dbraw/zinc/23/97/22/412239722.db2.gz ZQMRWJUCVDJAQI-UHFFFAOYSA-N 1 3 215.341 0.524 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000665296666 412242797 /nfs/dbraw/zinc/24/27/97/412242797.db2.gz WCJGXVKCNCGIJQ-DCAQKATOSA-N 1 3 211.353 0.809 20 0 BCADHO C[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000665299741 412247623 /nfs/dbraw/zinc/24/76/23/412247623.db2.gz RXEVCQHPHKHSIB-MXWKQRLJSA-N 1 3 248.392 0.527 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CN)S(C)(=O)=O ZINC000665299741 412247625 /nfs/dbraw/zinc/24/76/25/412247625.db2.gz RXEVCQHPHKHSIB-MXWKQRLJSA-N 1 3 248.392 0.527 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662732307 412288233 /nfs/dbraw/zinc/28/82/33/412288233.db2.gz AJWOPASRQJASKX-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CCNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000662629603 412249149 /nfs/dbraw/zinc/24/91/49/412249149.db2.gz AKTRHFLYPRAYBB-NKWVEPMBSA-N 1 3 241.257 0.332 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000662818122 412305946 /nfs/dbraw/zinc/30/59/46/412305946.db2.gz PIDAWODBENXVRB-VLEAKVRGSA-N 1 3 227.352 0.426 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CC3([NH3+])CC3)[C@H]2C1 ZINC000662804642 412306175 /nfs/dbraw/zinc/30/61/75/412306175.db2.gz GEJVKOHQBGSQEI-QWRGUYRKSA-N 1 3 237.347 0.420 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662811709 412307342 /nfs/dbraw/zinc/30/73/42/412307342.db2.gz ATJJFZPWVJNSFM-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CN(CC[NH3+])C(=O)c1cccc2c1CCNC2 ZINC000662813008 412309023 /nfs/dbraw/zinc/30/90/23/412309023.db2.gz GRDAQQMQUMXVJA-UHFFFAOYSA-N 1 3 233.315 0.363 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000662817998 412309830 /nfs/dbraw/zinc/30/98/30/412309830.db2.gz ZMIOHFAMQUQGSS-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)CC2([NH3+])CC2)C1 ZINC000662817298 412310086 /nfs/dbraw/zinc/31/00/86/412310086.db2.gz VHHGHBRWNHNCFE-LLVKDONJSA-N 1 3 245.326 0.784 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000662832059 412315306 /nfs/dbraw/zinc/31/53/06/412315306.db2.gz IIUGNOLHKUWYFZ-ZJUUUORDSA-N 1 3 213.325 0.323 20 0 BCADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000662840080 412318281 /nfs/dbraw/zinc/31/82/81/412318281.db2.gz XNKDHWHFMXNZTH-IJLUTSLNSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[NH2+]1 ZINC000662840083 412318795 /nfs/dbraw/zinc/31/87/95/412318795.db2.gz XNKDHWHFMXNZTH-UTUOFQBUSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863343 412329108 /nfs/dbraw/zinc/32/91/08/412329108.db2.gz OVVGLMBMCPPTQU-GHMZBOCLSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662876848 412333363 /nfs/dbraw/zinc/33/33/63/412333363.db2.gz JTNILABYUMUVPP-NBBOBHDQSA-N 1 3 225.336 0.310 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662914089 412343490 /nfs/dbraw/zinc/34/34/90/412343490.db2.gz WSKGXKWLRBOQEV-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000662911471 412343737 /nfs/dbraw/zinc/34/37/37/412343737.db2.gz UEECCSUXHLTYNJ-KKOKHZNYSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662926337 412347093 /nfs/dbraw/zinc/34/70/93/412347093.db2.gz ZMDKJUCLPGGVER-NBBOBHDQSA-N 1 3 225.336 0.228 20 0 BCADHO N[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)CC[C@H]1F ZINC000662945880 412351601 /nfs/dbraw/zinc/35/16/01/412351601.db2.gz WCFGJZQDBNSVGX-GMTAPVOTSA-N 1 3 243.326 0.274 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000662954771 412353625 /nfs/dbraw/zinc/35/36/25/412353625.db2.gz ZIOKOFRBQPXZLC-ZYHUDNBSSA-N 1 3 235.331 0.453 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C ZINC000662965730 412358062 /nfs/dbraw/zinc/35/80/62/412358062.db2.gz MRJBZXPBZJYLLZ-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1C ZINC000132941120 412368074 /nfs/dbraw/zinc/36/80/74/412368074.db2.gz HTUDXGYCEJBVNO-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@H+]1C ZINC000132941120 412368077 /nfs/dbraw/zinc/36/80/77/412368077.db2.gz HTUDXGYCEJBVNO-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662744641 412289757 /nfs/dbraw/zinc/28/97/57/412289757.db2.gz BFDJADRTJMQATN-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO N[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662748360 412290937 /nfs/dbraw/zinc/29/09/37/412290937.db2.gz RFRBWZJFWNLWMN-HBNTYKKESA-N 1 3 243.326 0.274 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754338 412291505 /nfs/dbraw/zinc/29/15/05/412291505.db2.gz LASWGRCEEFISKT-QFOLPQNPSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CN1C1CC1 ZINC000662755367 412291882 /nfs/dbraw/zinc/29/18/82/412291882.db2.gz YTIWZZIZBNEBRP-VHSXEESVSA-N 1 3 237.347 0.609 20 0 BCADHO [NH3+]C1(CC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000662771502 412296730 /nfs/dbraw/zinc/29/67/30/412296730.db2.gz YZPAWGFAGZNWQQ-UHFFFAOYSA-N 1 3 245.326 0.787 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C1(NC2CC2)CCC1 ZINC000662774379 412297994 /nfs/dbraw/zinc/29/79/94/412297994.db2.gz OEYMJNGFEWSBGO-SNVBAGLBSA-N 1 3 239.363 0.775 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662785422 412301300 /nfs/dbraw/zinc/30/13/00/412301300.db2.gz HWWHZGJQKVJISN-HAQNSBGRSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CCN1C ZINC000132971456 412378226 /nfs/dbraw/zinc/37/82/26/412378226.db2.gz HQYFURLOBGHIJY-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO CN(C(=O)C[C@@H](N)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178806846 172312275 /nfs/dbraw/zinc/31/22/75/172312275.db2.gz RIHHHSIITWBOJV-QWHCGFSZSA-N 1 3 247.342 0.897 20 0 BCADHO CN1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000265627211 172398483 /nfs/dbraw/zinc/39/84/83/172398483.db2.gz LWNBGBBPJMYGRF-GQCTYLIASA-N 1 3 225.336 0.268 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000265599051 172399064 /nfs/dbraw/zinc/39/90/64/172399064.db2.gz BZISLKLBPTZCTI-ZWNMCFTASA-N 1 3 225.336 0.172 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000265599051 172399065 /nfs/dbraw/zinc/39/90/65/172399065.db2.gz BZISLKLBPTZCTI-ZWNMCFTASA-N 1 3 225.336 0.172 20 0 BCADHO CN(C)C/C=C/C(=O)NCCC[NH+](C)C ZINC000265664998 172399160 /nfs/dbraw/zinc/39/91/60/172399160.db2.gz ZLTQJVKWLQVABF-FNORWQNLSA-N 1 3 213.325 0.172 20 0 BCADHO C[NH+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000050463482 172425664 /nfs/dbraw/zinc/42/56/64/172425664.db2.gz QXRJROBSSVFUCX-MNOVXSKESA-N 1 3 225.336 0.134 20 0 BCADHO C[NH+](C)CCCCNC(=O)C(N)C(F)(F)F ZINC000353465506 172428867 /nfs/dbraw/zinc/42/88/67/172428867.db2.gz FGYKLEOVNQSPEG-SSDOTTSWSA-N 1 3 241.257 0.334 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000094647227 487624939 /nfs/dbraw/zinc/62/49/39/487624939.db2.gz IEZWQPCJFDCHAF-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C)C[C@@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000040809105 172481603 /nfs/dbraw/zinc/48/16/03/172481603.db2.gz NUWBVKNWFTVFSE-GFCCVEGCSA-N 1 3 235.331 0.754 20 0 BCADHO CN1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042165847 173012606 /nfs/dbraw/zinc/01/26/06/173012606.db2.gz UBBQALBAKWMWJB-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@](C)(O)C1 ZINC000245623715 173026599 /nfs/dbraw/zinc/02/65/99/173026599.db2.gz OJOGVSLPJXVTRZ-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@](C)(O)C1 ZINC000245623715 173026601 /nfs/dbraw/zinc/02/66/01/173026601.db2.gz OJOGVSLPJXVTRZ-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@H](CC(N)=O)C1 ZINC000377505925 173026966 /nfs/dbraw/zinc/02/69/66/173026966.db2.gz QWOYMGNZLHAJIA-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@H](CC(N)=O)C1 ZINC000377505925 173026968 /nfs/dbraw/zinc/02/69/68/173026968.db2.gz QWOYMGNZLHAJIA-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@](C)(O)C1 ZINC000245623720 173027481 /nfs/dbraw/zinc/02/74/81/173027481.db2.gz OJOGVSLPJXVTRZ-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@@](C)(O)C1 ZINC000245623720 173027483 /nfs/dbraw/zinc/02/74/83/173027483.db2.gz OJOGVSLPJXVTRZ-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000226394276 173030833 /nfs/dbraw/zinc/03/08/33/173030833.db2.gz DUWILBOACWSFKA-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000333937270 173052896 /nfs/dbraw/zinc/05/28/96/173052896.db2.gz LKXKQPDLCOLJFF-JTQLQIEISA-N 1 3 240.351 0.261 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC1CC[NH2+]CC1 ZINC000226394540 173053703 /nfs/dbraw/zinc/05/37/03/173053703.db2.gz XIFDBFJSWFKFHA-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000224046013 173053761 /nfs/dbraw/zinc/05/37/61/173053761.db2.gz VXOXKBZQPKPTBB-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CN1CCC[C@H]2C[N@@H+](CCOCCO)CC[C@@H]21 ZINC000129155185 173058927 /nfs/dbraw/zinc/05/89/27/173058927.db2.gz FTNBVPNCVNTAER-STQMWFEESA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC[C@H]2C[N@H+](CCOCCO)CC[C@@H]21 ZINC000129155185 173058924 /nfs/dbraw/zinc/05/89/24/173058924.db2.gz FTNBVPNCVNTAER-STQMWFEESA-N 1 3 242.363 0.411 20 0 BCADHO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C(C)(C)N ZINC000371262372 173059686 /nfs/dbraw/zinc/05/96/86/173059686.db2.gz LGEQTKZOYYBGFR-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C(C)(C)N ZINC000371262372 173059688 /nfs/dbraw/zinc/05/96/88/173059688.db2.gz LGEQTKZOYYBGFR-WDEREUQCSA-N 1 3 239.363 0.809 20 0 BCADHO CN1CC[C@H]([NH2+]CCOCCO)[C@H]2CCC[C@@H]21 ZINC000368609470 173152306 /nfs/dbraw/zinc/15/23/06/173152306.db2.gz YMXZYHZFCVVZSR-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@@H+]1CC[C@H](NCCOCCO)[C@H]2CCC[C@@H]21 ZINC000368609470 173152308 /nfs/dbraw/zinc/15/23/08/173152308.db2.gz YMXZYHZFCVVZSR-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@H+]1CC[C@H](NCCOCCO)[C@H]2CCC[C@@H]21 ZINC000368609470 173152310 /nfs/dbraw/zinc/15/23/10/173152310.db2.gz YMXZYHZFCVVZSR-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@@H+]1CC[C@]2(CCN(CCCCO)C2)C1 ZINC000308988979 173166465 /nfs/dbraw/zinc/16/64/65/173166465.db2.gz NAPVBUCCGHKAAE-LBPRGKRZSA-N 1 3 212.337 0.787 20 0 BCADHO C[N@H+]1CC[C@]2(CCN(CCCCO)C2)C1 ZINC000308988979 173166466 /nfs/dbraw/zinc/16/64/66/173166466.db2.gz NAPVBUCCGHKAAE-LBPRGKRZSA-N 1 3 212.337 0.787 20 0 BCADHO CNC(=O)C[C@H](C)NCC[NH+]1CCCCCC1 ZINC000356543879 173281769 /nfs/dbraw/zinc/28/17/69/173281769.db2.gz CSFFMBMMOFSOTR-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000309094860 173282478 /nfs/dbraw/zinc/28/24/78/173282478.db2.gz DMELJZZBAREXSI-ZJUUUORDSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000309094860 173282479 /nfs/dbraw/zinc/28/24/79/173282479.db2.gz DMELJZZBAREXSI-ZJUUUORDSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000323043249 173282741 /nfs/dbraw/zinc/28/27/41/173282741.db2.gz OWTHEYWZHQTWOQ-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000323043249 173282742 /nfs/dbraw/zinc/28/27/42/173282742.db2.gz OWTHEYWZHQTWOQ-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000341982828 173283253 /nfs/dbraw/zinc/28/32/53/173283253.db2.gz VLGOFRLSEWLPMX-SRVKXCTJSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000341982828 173283254 /nfs/dbraw/zinc/28/32/54/173283254.db2.gz VLGOFRLSEWLPMX-SRVKXCTJSA-N 1 3 241.379 0.973 20 0 BCADHO CNCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124101 173324240 /nfs/dbraw/zinc/32/42/40/173324240.db2.gz QQRYXCAZYSATEP-UHFFFAOYSA-N 1 3 213.325 0.006 20 0 BCADHO CNCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000237179142 173324497 /nfs/dbraw/zinc/32/44/97/173324497.db2.gz PVQOJESWDSEOQT-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO C[NH2+]CC(=O)N(CCN(C)C)CC(C)C ZINC000037825183 173324915 /nfs/dbraw/zinc/32/49/15/173324915.db2.gz FIJPOIBFUSZNEJ-UHFFFAOYSA-N 1 3 215.341 0.252 20 0 BCADHO C[NH2+]CC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000037801516 173325080 /nfs/dbraw/zinc/32/50/80/173325080.db2.gz NPMXZECXGOXEID-UHFFFAOYSA-N 1 3 249.358 0.796 20 0 BCADHO CNCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335832577 173327039 /nfs/dbraw/zinc/32/70/39/173327039.db2.gz NMBXPCODBDZOOA-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO C[NH2+]CC(=O)NCCN1CCCC[C@H]1C ZINC000237224187 173328657 /nfs/dbraw/zinc/32/86/57/173328657.db2.gz ITTYFNKFXQNPQI-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040832995 173329102 /nfs/dbraw/zinc/32/91/02/173329102.db2.gz AVAGKRVMRDWUJH-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CNCC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237221745 173329141 /nfs/dbraw/zinc/32/91/41/173329141.db2.gz HVWULPSBPKVGOL-TXEJJXNPSA-N 1 3 241.379 0.690 20 0 BCADHO CNCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237221745 173329142 /nfs/dbraw/zinc/32/91/42/173329142.db2.gz HVWULPSBPKVGOL-TXEJJXNPSA-N 1 3 241.379 0.690 20 0 BCADHO CNCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831284 173329634 /nfs/dbraw/zinc/32/96/34/173329634.db2.gz JYGCAOFILRGXRX-SNVBAGLBSA-N 1 3 215.341 0.298 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375961689 173330503 /nfs/dbraw/zinc/33/05/03/173330503.db2.gz CTJHGAMCKSCWLA-LBPRGKRZSA-N 1 3 233.315 0.209 20 0 BCADHO CNCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042278 173330828 /nfs/dbraw/zinc/33/08/28/173330828.db2.gz NKFFBWNUCWHPJK-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CNCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042509 173333379 /nfs/dbraw/zinc/33/33/79/173333379.db2.gz RBIIGORSDKWMCD-UHFFFAOYSA-N 1 3 221.304 0.906 20 0 BCADHO C[NH2+]CCC(=O)N(C)C1CCN(C)CC1 ZINC000043599849 173338389 /nfs/dbraw/zinc/33/83/89/173338389.db2.gz XGWKJVUIRHCNOL-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO C[NH2+]CCC(=O)NCc1cccc(CN(C)C)c1 ZINC000262538207 173340722 /nfs/dbraw/zinc/34/07/22/173340722.db2.gz MUJSZQKEMQSVIL-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO C[NH2+]CCCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000237114547 173343468 /nfs/dbraw/zinc/34/34/68/173343468.db2.gz JUOZUTDKRJLPMV-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCC(C)CC1 ZINC000040772659 173343573 /nfs/dbraw/zinc/34/35/73/173343573.db2.gz ILDXPBYGEKYXGQ-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO C[NH2+]CCCC(=O)NCc1ccc2c(c1)CNC2 ZINC000188753146 173344254 /nfs/dbraw/zinc/34/42/54/173344254.db2.gz NYZMXCWWHSSKOR-UHFFFAOYSA-N 1 3 247.342 0.906 20 0 BCADHO C[NH2+]CCN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000120409839 173351170 /nfs/dbraw/zinc/35/11/70/173351170.db2.gz WEAOHGKIXHEURB-UHFFFAOYSA-N 1 3 247.342 0.161 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000120517295 173352108 /nfs/dbraw/zinc/35/21/08/173352108.db2.gz ZYMJOWHDMMJERY-SNVBAGLBSA-N 1 3 215.341 0.250 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000092133674 173362455 /nfs/dbraw/zinc/36/24/55/173362455.db2.gz XXKKDXNNWRLNKR-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000237147544 173362467 /nfs/dbraw/zinc/36/24/67/173362467.db2.gz GMAORGXHHLVFIS-VXGBXAGGSA-N 1 3 241.379 0.642 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000226399303 173362895 /nfs/dbraw/zinc/36/28/95/173362895.db2.gz OXJOGNMJFLIZEY-NXEZZACHSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000092135557 173374216 /nfs/dbraw/zinc/37/42/16/173374216.db2.gz GFYWYUFPONOWJC-LBPRGKRZSA-N 1 3 241.379 0.690 20 0 BCADHO COCCCN(CCO)C[C@@H]1CCC[NH2+]C1 ZINC000339430635 174224784 /nfs/dbraw/zinc/22/47/84/174224784.db2.gz HNDPARFDKLYRFB-GFCCVEGCSA-N 1 3 230.352 0.317 20 0 BCADHO COCCC[N@H+](CCO)C[C@@H]1CCCNC1 ZINC000339430635 174224786 /nfs/dbraw/zinc/22/47/86/174224786.db2.gz HNDPARFDKLYRFB-GFCCVEGCSA-N 1 3 230.352 0.317 20 0 BCADHO COCCC[N@@H+](CCO)C[C@@H]1CCCNC1 ZINC000339430635 174224788 /nfs/dbraw/zinc/22/47/88/174224788.db2.gz HNDPARFDKLYRFB-GFCCVEGCSA-N 1 3 230.352 0.317 20 0 BCADHO COCCC[NH+]1CCC(N(C)CCCO)CC1 ZINC000115547356 174229224 /nfs/dbraw/zinc/22/92/24/174229224.db2.gz XEWDTPWIEVERSR-UHFFFAOYSA-N 1 3 244.379 0.802 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000361023762 174279735 /nfs/dbraw/zinc/27/97/35/174279735.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361023762 174279737 /nfs/dbraw/zinc/27/97/37/174279737.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361023762 174279738 /nfs/dbraw/zinc/27/97/38/174279738.db2.gz OQQPITJIDSLWRF-CHWSQXEVSA-N 1 3 243.395 0.494 20 0 BCADHO COCCOCCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070026700 174354134 /nfs/dbraw/zinc/35/41/34/174354134.db2.gz VPBQYZYYLYLHDU-NEPJUHHUSA-N 1 3 230.352 0.709 20 0 BCADHO COCCOCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366485010 174355596 /nfs/dbraw/zinc/35/55/96/174355596.db2.gz VAXRNOSABOPWER-ZDUSSCGKSA-N 1 3 242.363 0.677 20 0 BCADHO COCCOCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366485010 174355598 /nfs/dbraw/zinc/35/55/98/174355598.db2.gz VAXRNOSABOPWER-ZDUSSCGKSA-N 1 3 242.363 0.677 20 0 BCADHO COCCOCCN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000044694155 174358264 /nfs/dbraw/zinc/35/82/64/174358264.db2.gz DPXLNJSONYAWPQ-JHJVBQTASA-N 1 3 244.379 0.968 20 0 BCADHO COCCOCCN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000044694155 174358265 /nfs/dbraw/zinc/35/82/65/174358265.db2.gz DPXLNJSONYAWPQ-JHJVBQTASA-N 1 3 244.379 0.968 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)[NH+](C)C ZINC000061612324 175725897 /nfs/dbraw/zinc/72/58/97/175725897.db2.gz RKICKXZXDBQDNA-AAEUAGOBSA-N 1 3 249.358 0.795 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(N)CC1 ZINC000237677304 176070823 /nfs/dbraw/zinc/07/08/23/176070823.db2.gz UQVTYVMGWLAOJI-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(N)CC1 ZINC000237677304 176070826 /nfs/dbraw/zinc/07/08/26/176070826.db2.gz UQVTYVMGWLAOJI-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)CCC[NH3+])C1 ZINC000237400108 176097394 /nfs/dbraw/zinc/09/73/94/176097394.db2.gz NRTRYSGCMVDPFZ-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@@H]1CCC[N@H+](CCn2cccn2)[C@@H]1CN ZINC000043617130 176100369 /nfs/dbraw/zinc/10/03/69/176100369.db2.gz BQSZEHURVYFZKB-VXGBXAGGSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1CN ZINC000043617130 176100370 /nfs/dbraw/zinc/10/03/70/176100370.db2.gz BQSZEHURVYFZKB-VXGBXAGGSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CCN(C)CC2)C1 ZINC000126109393 176186573 /nfs/dbraw/zinc/18/65/73/176186573.db2.gz NLMWXUASJUETSV-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC([NH3+])CC1 ZINC000336515129 176199240 /nfs/dbraw/zinc/19/92/40/176199240.db2.gz JWSJYDGNHHBNSC-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CCCC1 ZINC000362390421 176272889 /nfs/dbraw/zinc/27/28/89/176272889.db2.gz SMNAERXXTSQEFF-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN1CCCC1 ZINC000362390421 176272891 /nfs/dbraw/zinc/27/28/91/176272891.db2.gz SMNAERXXTSQEFF-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000362740279 176275965 /nfs/dbraw/zinc/27/59/65/176275965.db2.gz HXWWWPLYMZSOIC-GRYCIOLGSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000362740279 176275967 /nfs/dbraw/zinc/27/59/67/176275967.db2.gz HXWWWPLYMZSOIC-GRYCIOLGSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335605720 176277774 /nfs/dbraw/zinc/27/77/74/176277774.db2.gz FPTCYSPKGIFOKC-DGCLKSJQSA-N 1 3 223.364 0.788 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CC[NH3+] ZINC000331747275 176282150 /nfs/dbraw/zinc/28/21/50/176282150.db2.gz DQQJYCPQHCJWNC-MWLCHTKSSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000246546498 176322522 /nfs/dbraw/zinc/32/25/22/176322522.db2.gz QRVWWBVCEYQBPX-GRYCIOLGSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1ccc(C(N)=O)cc1 ZINC000131745014 176367350 /nfs/dbraw/zinc/36/73/50/176367350.db2.gz YEHVNTFGBDBODS-PWSUYJOCSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCN(C)C2)CCN1C ZINC000358259722 176376916 /nfs/dbraw/zinc/37/69/16/176376916.db2.gz USEWWZSHMVCCSK-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000237459951 177075257 /nfs/dbraw/zinc/07/52/57/177075257.db2.gz GKTJZADZFFNCFZ-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000237459951 177075258 /nfs/dbraw/zinc/07/52/58/177075258.db2.gz GKTJZADZFFNCFZ-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1CCC[N@H+](CCn2cccn2)[C@@H]1CN ZINC000043617131 177099550 /nfs/dbraw/zinc/09/95/50/177099550.db2.gz BQSZEHURVYFZKB-NWDGAFQWSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@H]1CCC[N@@H+](CCn2cccn2)[C@@H]1CN ZINC000043617131 177099552 /nfs/dbraw/zinc/09/95/52/177099552.db2.gz BQSZEHURVYFZKB-NWDGAFQWSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000341211578 177237392 /nfs/dbraw/zinc/23/73/92/177237392.db2.gz OQRQOELTDFZCQL-CMPLNLGQSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000341211578 177237393 /nfs/dbraw/zinc/23/73/93/177237393.db2.gz OQRQOELTDFZCQL-CMPLNLGQSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N(C)CC[NH3+] ZINC000331747273 177241828 /nfs/dbraw/zinc/24/18/28/177241828.db2.gz DQQJYCPQHCJWNC-GXSJLCMTSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@H]1COCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000354409875 177296527 /nfs/dbraw/zinc/29/65/27/177296527.db2.gz LVCBTYJFRDQPTB-NWDGAFQWSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637795 177313339 /nfs/dbraw/zinc/31/33/39/177313339.db2.gz NQGWWFAHDKQRTL-WHOHXGKFSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637795 177313341 /nfs/dbraw/zinc/31/33/41/177313341.db2.gz NQGWWFAHDKQRTL-WHOHXGKFSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1C ZINC000132954539 177368048 /nfs/dbraw/zinc/36/80/48/177368048.db2.gz NNQNOGPJOOQIFP-HBNTYKKESA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1C ZINC000132954539 177368050 /nfs/dbraw/zinc/36/80/50/177368050.db2.gz NNQNOGPJOOQIFP-HBNTYKKESA-N 1 3 241.379 0.959 20 0 BCADHO C[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCCN1 ZINC000364162862 177456210 /nfs/dbraw/zinc/45/62/10/177456210.db2.gz VGUYDSHWTSAETN-WCQYABFASA-N 1 3 239.363 0.777 20 0 BCADHO N[C@H](C(=O)NCc1ccc(C[NH3+])cc1)C1CCC1 ZINC000568271262 322932730 /nfs/dbraw/zinc/93/27/30/322932730.db2.gz ABXYKDXCQXWCRS-ZDUSSCGKSA-N 1 3 247.342 0.889 20 0 BCADHO C[C@@H](CNC(=O)/C=C\CN(C)C)C[NH+](C)C ZINC000492838316 226064325 /nfs/dbraw/zinc/06/43/25/226064325.db2.gz MAUXGBZVYIJATP-ZADCQDASSA-N 1 3 227.352 0.418 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000493900432 226259032 /nfs/dbraw/zinc/25/90/32/226259032.db2.gz LYTXZHCGHVXMCU-WDCWCFNPSA-N 1 3 239.363 0.569 20 0 BCADHO C[C@@H](NCCOCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000400438625 226343746 /nfs/dbraw/zinc/34/37/46/226343746.db2.gz LVOABESDBLMUGI-NEPJUHHUSA-N 1 3 229.368 0.295 20 0 BCADHO C[C@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000400735994 226350647 /nfs/dbraw/zinc/35/06/47/226350647.db2.gz RSALLRSFYKULGN-DMDPSCGWSA-N 1 3 223.364 0.953 20 0 BCADHO O[C@H]1CCCC[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000328329313 487657762 /nfs/dbraw/zinc/65/77/62/487657762.db2.gz HAKBZMWXOBCITC-RVMXOQNASA-N 1 3 224.348 0.689 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054073607 487682160 /nfs/dbraw/zinc/68/21/60/487682160.db2.gz VTGTYPJGAXWSJR-HBNTYKKESA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073607 487682164 /nfs/dbraw/zinc/68/21/64/487682164.db2.gz VTGTYPJGAXWSJR-HBNTYKKESA-N 1 3 225.336 0.337 20 0 BCADHO CCC[NH2+]CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403289 487705817 /nfs/dbraw/zinc/70/58/17/487705817.db2.gz SAVZGSVERLYBBY-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403191 487706162 /nfs/dbraw/zinc/70/61/62/487706162.db2.gz OIVNJJXMLQYDDI-MNOVXSKESA-N 1 3 242.367 0.363 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000309211006 487707050 /nfs/dbraw/zinc/70/70/50/487707050.db2.gz DNHJEJMUTVSYFS-TUAOUCFPSA-N 1 3 230.352 0.143 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000309211006 487707056 /nfs/dbraw/zinc/70/70/56/487707056.db2.gz DNHJEJMUTVSYFS-TUAOUCFPSA-N 1 3 230.352 0.143 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250581044 487735894 /nfs/dbraw/zinc/73/58/94/487735894.db2.gz FZSMXPNFUIHNHQ-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO OCCCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000226438352 487747114 /nfs/dbraw/zinc/74/71/14/487747114.db2.gz VMPRFNNERROOSI-NSHDSACASA-N 1 3 212.337 0.833 20 0 BCADHO CNC(=O)[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000226438299 487747204 /nfs/dbraw/zinc/74/72/04/487747204.db2.gz VJDFQPGMRPFVAZ-MNOVXSKESA-N 1 3 225.336 0.054 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N(C)C ZINC000082921102 487753116 /nfs/dbraw/zinc/75/31/16/487753116.db2.gz CCDCVDHXVQJULN-BBBLOLIVSA-N 1 3 213.325 0.180 20 0 BCADHO CO[C@H](CN[C@H](C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000668445000 487766142 /nfs/dbraw/zinc/76/61/42/487766142.db2.gz VEAABPVMXUIIHZ-JHJVBQTASA-N 1 3 244.379 0.968 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+]1C)C[C@H]1CNCCO1 ZINC000252581759 487827145 /nfs/dbraw/zinc/82/71/45/487827145.db2.gz UANDYZQIPHZHPZ-NWDGAFQWSA-N 1 3 227.352 0.001 20 0 BCADHO CN(C[C@@H]1CCC[N@H+]1C)C[C@H]1CNCCO1 ZINC000252581759 487827149 /nfs/dbraw/zinc/82/71/49/487827149.db2.gz UANDYZQIPHZHPZ-NWDGAFQWSA-N 1 3 227.352 0.001 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000252599361 487827870 /nfs/dbraw/zinc/82/78/70/487827870.db2.gz KRZNIQOLKGCAMM-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000494699596 528500129 /nfs/dbraw/zinc/50/01/29/528500129.db2.gz QJVWSSFZILVPQR-ZMLRMANQSA-N 1 3 239.363 0.569 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000389891710 487844625 /nfs/dbraw/zinc/84/46/25/487844625.db2.gz OAPRNXBACKJOBY-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000389891710 487844627 /nfs/dbraw/zinc/84/46/27/487844627.db2.gz OAPRNXBACKJOBY-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@H]1C[N@H+](CCCN2CCOCC2)[C@@H](C)CN1 ZINC000062620416 487847100 /nfs/dbraw/zinc/84/71/00/487847100.db2.gz OKKINFVUDNEBPR-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C[C@H]1C[N@@H+](CCCN2CCOCC2)[C@@H](C)CN1 ZINC000062620416 487847103 /nfs/dbraw/zinc/84/71/03/487847103.db2.gz OKKINFVUDNEBPR-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000373068807 487857551 /nfs/dbraw/zinc/85/75/51/487857551.db2.gz GUSIGUTVCNCNLO-SRRSOLGSSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000669462778 487909506 /nfs/dbraw/zinc/90/95/06/487909506.db2.gz FQKHNRIEGSQXEY-BDAKNGLRSA-N 1 3 228.340 0.116 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000157726881 487918971 /nfs/dbraw/zinc/91/89/71/487918971.db2.gz IEVOZWRWVGXTGM-GHMZBOCLSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000157726881 487918975 /nfs/dbraw/zinc/91/89/75/487918975.db2.gz IEVOZWRWVGXTGM-GHMZBOCLSA-N 1 3 237.347 0.611 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157800124 487921394 /nfs/dbraw/zinc/92/13/94/487921394.db2.gz RXSKOXKTZIQRGW-VXGBXAGGSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157800124 487921399 /nfs/dbraw/zinc/92/13/99/487921399.db2.gz RXSKOXKTZIQRGW-VXGBXAGGSA-N 1 3 237.347 0.481 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000652335870 487924537 /nfs/dbraw/zinc/92/45/37/487924537.db2.gz MXKXLARGEDZUMG-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](C)C1 ZINC000652335870 487924540 /nfs/dbraw/zinc/92/45/40/487924540.db2.gz MXKXLARGEDZUMG-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C)C1 ZINC000652335870 487924544 /nfs/dbraw/zinc/92/45/44/487924544.db2.gz MXKXLARGEDZUMG-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](C)C1 ZINC000652335871 487924552 /nfs/dbraw/zinc/92/45/52/487924552.db2.gz MXKXLARGEDZUMG-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](C)C1 ZINC000652335871 487924555 /nfs/dbraw/zinc/92/45/55/487924555.db2.gz MXKXLARGEDZUMG-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](C)C1 ZINC000652335871 487924558 /nfs/dbraw/zinc/92/45/58/487924558.db2.gz MXKXLARGEDZUMG-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000417809033 487956607 /nfs/dbraw/zinc/95/66/07/487956607.db2.gz APJHFTHLXMKGNP-KKOKHZNYSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000564947241 322976819 /nfs/dbraw/zinc/97/68/19/322976819.db2.gz DOAQKNDANMBDHP-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000561182735 322996620 /nfs/dbraw/zinc/99/66/20/322996620.db2.gz OOXYMJABYVCVGS-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H](C)[NH3+] ZINC000566859328 323020428 /nfs/dbraw/zinc/02/04/28/323020428.db2.gz TXUHRYSXDXRSNN-XLPZGREQSA-N 1 3 201.314 0.212 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000562805365 323030917 /nfs/dbraw/zinc/03/09/17/323030917.db2.gz MZMDOHKUNHOVQI-ZDUSSCGKSA-N 1 3 249.358 0.672 20 0 BCADHO [NH3+]CCCN1CCC[C@H](N2CCOCC2)CC1 ZINC000565225992 323034552 /nfs/dbraw/zinc/03/45/52/323034552.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 1 3 241.379 0.522 20 0 BCADHO NCCC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000565225992 323034553 /nfs/dbraw/zinc/03/45/53/323034553.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 1 3 241.379 0.522 20 0 BCADHO NCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000565225992 323034554 /nfs/dbraw/zinc/03/45/54/323034554.db2.gz IHDSCYJGAFARDA-ZDUSSCGKSA-N 1 3 241.379 0.522 20 0 BCADHO CCCN(C)CC(=O)NCC1CC[NH2+]CC1 ZINC000569967003 323046008 /nfs/dbraw/zinc/04/60/08/323046008.db2.gz BGUZCDGRTMRHFM-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO COC[C@@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000570201739 323052542 /nfs/dbraw/zinc/05/25/42/323052542.db2.gz FLVBJOJTRKIGDK-QWRGUYRKSA-N 1 3 232.368 0.560 20 0 BCADHO CN1CCNC[C@@H]1CN[C@H]1CCCCC[C@H]1[NH3+] ZINC000570507429 323061346 /nfs/dbraw/zinc/06/13/46/323061346.db2.gz BKVDSSARRSILCM-UPJWGTAASA-N 1 3 240.395 0.140 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000570570892 323063610 /nfs/dbraw/zinc/06/36/10/323063610.db2.gz JNYBEPOHZVZATO-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000570802154 323070817 /nfs/dbraw/zinc/07/08/17/323070817.db2.gz MJODGTGKLGXWGO-ZYHUDNBSSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CCCC[NH3+])CCN1C ZINC000157876509 323071041 /nfs/dbraw/zinc/07/10/41/323071041.db2.gz MLPBAVRJPGXXPH-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO NC[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000570841821 323072548 /nfs/dbraw/zinc/07/25/48/323072548.db2.gz NQJHYSFCOVPGDV-WUHRBBMRSA-N 1 3 245.326 0.063 20 0 BCADHO C[NH2+]C1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000564569078 323080133 /nfs/dbraw/zinc/08/01/33/323080133.db2.gz XMCDLZLMNWIJOQ-ZETCQYMHSA-N 1 3 239.241 0.086 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000563086950 323090693 /nfs/dbraw/zinc/09/06/93/323090693.db2.gz XEMLOHUDALMGPE-MRVPVSSYSA-N 1 3 211.309 0.125 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000563101431 323092348 /nfs/dbraw/zinc/09/23/48/323092348.db2.gz HOVFSMBFNPMIHO-JGVFFNPUSA-N 1 3 237.294 0.603 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000563101428 323092395 /nfs/dbraw/zinc/09/23/95/323092395.db2.gz HOVFSMBFNPMIHO-HTQZYQBOSA-N 1 3 237.294 0.603 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000563101432 323092419 /nfs/dbraw/zinc/09/24/19/323092419.db2.gz HOVFSMBFNPMIHO-SFYZADRCSA-N 1 3 237.294 0.603 20 0 BCADHO N[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000563107049 323092782 /nfs/dbraw/zinc/09/27/82/323092782.db2.gz QZOFVCXROJCQQW-OLZOCXBDSA-N 1 3 247.342 0.506 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000563109162 323093042 /nfs/dbraw/zinc/09/30/42/323093042.db2.gz ZMFXUZICBYECDK-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000563168841 323099765 /nfs/dbraw/zinc/09/97/65/323099765.db2.gz AVSPMTPYBNNKHW-RCWTZXSCSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563171323 323099889 /nfs/dbraw/zinc/09/98/89/323099889.db2.gz WEPVDXQCFIUGJN-XHNCKOQMSA-N 1 3 213.325 0.369 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NCCN1CC[C@@H](C)C1 ZINC000563209039 323101997 /nfs/dbraw/zinc/10/19/97/323101997.db2.gz LBOZZGDERLQWAJ-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](NC[C@H](O)C[N@H+](C)CC)[C@@H]1CCCO1 ZINC000571058033 323106188 /nfs/dbraw/zinc/10/61/88/323106188.db2.gz KPGKRGGBUKXLOR-AVGNSLFASA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@H](NC[C@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000571058033 323106189 /nfs/dbraw/zinc/10/61/89/323106189.db2.gz KPGKRGGBUKXLOR-AVGNSLFASA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@H](O)C[NH2+][C@H](CO)CCN(CC)CC ZINC000563537307 323128996 /nfs/dbraw/zinc/12/89/96/323128996.db2.gz SLCHILHRIULXEE-RYUDHWBXSA-N 1 3 232.368 0.440 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000563622971 323132155 /nfs/dbraw/zinc/13/21/55/323132155.db2.gz IHNOWMBEZRCVLN-GDPRMGEGSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000563622984 323132183 /nfs/dbraw/zinc/13/21/83/323132183.db2.gz IHNOWMBEZRCVLN-JMJZKYOTSA-N 1 3 225.336 0.310 20 0 BCADHO CN1CC[C@H](C[NH2+][C@H]2CCC[C@@H](N)C2)CC1=O ZINC000563635634 323133129 /nfs/dbraw/zinc/13/31/29/323133129.db2.gz LBZWURHMUADQFJ-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000571082038 323135032 /nfs/dbraw/zinc/13/50/32/323135032.db2.gz LBQRRBMBGSVKRU-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(C1CC[NH2+]CC1)N1CCN2CCC1CC2 ZINC000571079744 323135079 /nfs/dbraw/zinc/13/50/79/323135079.db2.gz CDCMKTCEHUYFSL-UHFFFAOYSA-N 1 3 237.347 0.293 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000571165687 323137312 /nfs/dbraw/zinc/13/73/12/323137312.db2.gz HMLCDPJXFBMRHL-RQJHMYQMSA-N 1 3 237.294 0.459 20 0 BCADHO CCC(=O)N1CC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000571539639 323147695 /nfs/dbraw/zinc/14/76/95/323147695.db2.gz ZAYKYKOXNKMLGY-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000571573340 323148219 /nfs/dbraw/zinc/14/82/19/323148219.db2.gz ZDAIGEMWWAWZBW-VWYCJHECSA-N 1 3 200.326 0.687 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000571573340 323148220 /nfs/dbraw/zinc/14/82/20/323148220.db2.gz ZDAIGEMWWAWZBW-VWYCJHECSA-N 1 3 200.326 0.687 20 0 BCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH+](C)C ZINC000571579715 323148349 /nfs/dbraw/zinc/14/83/49/323148349.db2.gz KJWJCBVAORVXAV-NWDGAFQWSA-N 1 3 241.379 0.642 20 0 BCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH+](C)C ZINC000571579717 323148465 /nfs/dbraw/zinc/14/84/65/323148465.db2.gz KJWJCBVAORVXAV-VXGBXAGGSA-N 1 3 241.379 0.642 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000563712759 323175030 /nfs/dbraw/zinc/17/50/30/323175030.db2.gz KEBSYUXPBKEIFC-AXFHLTTASA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945770 323329865 /nfs/dbraw/zinc/32/98/65/323329865.db2.gz NQPDUXFCDVNVBZ-JQWIXIFHSA-N 1 3 239.363 0.490 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)C1(C)C[NH2+]C1 ZINC000399490450 323336740 /nfs/dbraw/zinc/33/67/40/323336740.db2.gz SXZVASLZTRDVRJ-NSHDSACASA-N 1 3 241.379 0.688 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCNc1cc[nH+]cc1 ZINC000571795440 323481928 /nfs/dbraw/zinc/48/19/28/323481928.db2.gz YPVZWBSTLCZYPL-JTQLQIEISA-N 1 3 248.330 0.172 20 0 BCADHO CSCC[C@H](CO)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000571938872 323510066 /nfs/dbraw/zinc/51/00/66/323510066.db2.gz IRPATMCVXBDBGX-GARJFASQSA-N 1 3 232.393 0.960 20 0 BCADHO CC[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000572482392 324123965 /nfs/dbraw/zinc/12/39/65/324123965.db2.gz QGVVLFNKJIEBFS-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+]C[C@H](C)O ZINC000567588644 324198095 /nfs/dbraw/zinc/19/80/95/324198095.db2.gz DLGPJPVCSLHKDO-WDEREUQCSA-N 1 3 218.341 0.050 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)CC ZINC000130577624 325067734 /nfs/dbraw/zinc/06/77/34/325067734.db2.gz JEXPBPLRXJLOTC-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)CC ZINC000130577624 325067737 /nfs/dbraw/zinc/06/77/37/325067737.db2.gz JEXPBPLRXJLOTC-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCCCN(C)CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130602011 325071902 /nfs/dbraw/zinc/07/19/02/325071902.db2.gz IAVMYAIXWWZNCE-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000131869867 325188292 /nfs/dbraw/zinc/18/82/92/325188292.db2.gz JTSWTDYVSXZGJI-DGCLKSJQSA-N 1 3 249.358 0.528 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)N ZINC000132002248 325194616 /nfs/dbraw/zinc/19/46/16/325194616.db2.gz RQNLZDLCRNWXMJ-IUCAKERBSA-N 1 3 201.314 0.165 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000134809096 325377682 /nfs/dbraw/zinc/37/76/82/325377682.db2.gz HXWDTMBLRKGART-RVMXOQNASA-N 1 3 224.348 0.853 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000134809096 325377683 /nfs/dbraw/zinc/37/76/83/325377683.db2.gz HXWDTMBLRKGART-RVMXOQNASA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000092950439 325728278 /nfs/dbraw/zinc/72/82/78/325728278.db2.gz WQNYABZGDYUFAR-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000092950442 325728326 /nfs/dbraw/zinc/72/83/26/325728326.db2.gz WQNYABZGDYUFAR-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000565003619 325845130 /nfs/dbraw/zinc/84/51/30/325845130.db2.gz LAGKJCJKYFVSGU-GVXVVHGQSA-N 1 3 249.358 0.798 20 0 BCADHO O=C(N1CC[C@H](N2CCCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000565035132 325848963 /nfs/dbraw/zinc/84/89/63/325848963.db2.gz RJVVUXHCRMHVMK-DYEKYZERSA-N 1 3 249.358 0.435 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000565373364 325903287 /nfs/dbraw/zinc/90/32/87/325903287.db2.gz BXJQDJPYVPMUTF-LLVKDONJSA-N 1 3 227.352 0.557 20 0 BCADHO CN(C(=O)C12CCCN1CCC2)[C@H]1CC[NH2+]C1 ZINC000566100434 325994812 /nfs/dbraw/zinc/99/48/12/325994812.db2.gz SDTNCJSEKZCMOP-NSHDSACASA-N 1 3 237.347 0.435 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000566197546 326011384 /nfs/dbraw/zinc/01/13/84/326011384.db2.gz ICHNIEPDBIGHRD-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000566200785 326011920 /nfs/dbraw/zinc/01/19/20/326011920.db2.gz BUFWUJYCDMQNBG-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000566200462 326012067 /nfs/dbraw/zinc/01/20/67/326012067.db2.gz WGVXFYTVSMJUBL-BDAKNGLRSA-N 1 3 213.325 0.099 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](C)NC1CC1 ZINC000566203296 326012517 /nfs/dbraw/zinc/01/25/17/326012517.db2.gz DQWHPCQLZOMSSF-SECBINFHSA-N 1 3 213.325 0.243 20 0 BCADHO CC1(CNC(=O)[C@@H](N)C2CCC2)CC[NH2+]CC1 ZINC000566206893 326012970 /nfs/dbraw/zinc/01/29/70/326012970.db2.gz BGQFKLUXIXFXDA-NSHDSACASA-N 1 3 239.363 0.620 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566213316 326014860 /nfs/dbraw/zinc/01/48/60/326014860.db2.gz ZXQVXJAWYBGCTA-AXFHLTTASA-N 1 3 227.352 0.748 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)C1(N)CC1 ZINC000566797420 326083949 /nfs/dbraw/zinc/08/39/49/326083949.db2.gz HLTRGXONRUTLDL-UHFFFAOYSA-N 1 3 211.309 0.030 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)C1(N)CC1 ZINC000566797420 326083950 /nfs/dbraw/zinc/08/39/50/326083950.db2.gz HLTRGXONRUTLDL-UHFFFAOYSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567108373 326117271 /nfs/dbraw/zinc/11/72/71/326117271.db2.gz KNOGCDBRFPOZQI-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000567275528 326154752 /nfs/dbraw/zinc/15/47/52/326154752.db2.gz PCYMLEPBLIOMRM-MMWGEVLESA-N 1 3 237.347 0.465 20 0 BCADHO COC[C@H](C)C[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000310250751 326187836 /nfs/dbraw/zinc/18/78/36/326187836.db2.gz NZJXIZZAWVUTME-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO COC[C@H](C)C[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000310250751 326187838 /nfs/dbraw/zinc/18/78/38/326187838.db2.gz NZJXIZZAWVUTME-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO CC[NH2+]CCCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000567572697 326220237 /nfs/dbraw/zinc/22/02/37/326220237.db2.gz URTWSLFZBHXYQZ-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000567683671 326244752 /nfs/dbraw/zinc/24/47/52/326244752.db2.gz UTCFRUGCHXGKIO-UTUOFQBUSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000567683671 326244753 /nfs/dbraw/zinc/24/47/53/326244753.db2.gz UTCFRUGCHXGKIO-UTUOFQBUSA-N 1 3 230.352 0.456 20 0 BCADHO Cn1cnc(CCN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000313248523 326260193 /nfs/dbraw/zinc/26/01/93/326260193.db2.gz BRKBAUUIBAZTFJ-QWRGUYRKSA-N 1 3 222.336 0.822 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813506 326261977 /nfs/dbraw/zinc/26/19/77/326261977.db2.gz FFAHTYCPGVKETN-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000567816888 326262277 /nfs/dbraw/zinc/26/22/77/326262277.db2.gz XNJZZJUFLMMVEP-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000567847295 326269465 /nfs/dbraw/zinc/26/94/65/326269465.db2.gz HAKQXFMNDQYCON-SCVCMEIPSA-N 1 3 227.352 0.748 20 0 BCADHO FC1(CNCCCN2CC[NH2+]CC2)CC1 ZINC000567864997 326273359 /nfs/dbraw/zinc/27/33/59/326273359.db2.gz NOZFLNSIKCIZNP-UHFFFAOYSA-N 1 3 215.316 0.373 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000567897193 326278779 /nfs/dbraw/zinc/27/87/79/326278779.db2.gz LGMAUQCFONBEDM-ZDUSSCGKSA-N 1 3 245.326 0.724 20 0 BCADHO [NH3+]CC[C@@H](NC(=O)[C@@H]1CCCCN1)C(F)F ZINC000567912237 326282441 /nfs/dbraw/zinc/28/24/41/326282441.db2.gz KHNJZQHQGOFIHU-SFYZADRCSA-N 1 3 235.278 0.227 20 0 BCADHO CC[C@@H](C(=O)NC1CC[NH+](CC)CC1)N(C)C ZINC000157804509 326296721 /nfs/dbraw/zinc/29/67/21/326296721.db2.gz DEQYGJWBTGZVNG-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568231572 326330508 /nfs/dbraw/zinc/33/05/08/326330508.db2.gz XMTOWQUBSFMTOK-CMPLNLGQSA-N 1 3 225.336 0.196 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C1 ZINC000568248189 326334415 /nfs/dbraw/zinc/33/44/15/326334415.db2.gz JVNVFZWPBSUTCC-LPWJVIDDSA-N 1 3 242.363 0.491 20 0 BCADHO FC(F)[C@@H]1CNCCN1CC[C@H]1CCC[NH2+]C1 ZINC000568512139 326361485 /nfs/dbraw/zinc/36/14/85/326361485.db2.gz IPWLQEWEWLRMED-MNOVXSKESA-N 1 3 247.333 0.915 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000568626407 326368414 /nfs/dbraw/zinc/36/84/14/326368414.db2.gz DWIJEAHHIXUNPJ-MFKMUULPSA-N 1 3 247.342 0.584 20 0 BCADHO CC(C)[NH2+]CCC(=O)N(C)CCN(C)C1CC1 ZINC000568745900 326374468 /nfs/dbraw/zinc/37/44/68/326374468.db2.gz FWZFZRKXBOUFIR-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000569099141 326389849 /nfs/dbraw/zinc/38/98/49/326389849.db2.gz RMIIKWLRRUIMAS-OUAUKWLOSA-N 1 3 223.320 0.030 20 0 BCADHO C[NH2+]CCCN1CCNC[C@@H]1c1cccnc1 ZINC000569246144 326397492 /nfs/dbraw/zinc/39/74/92/326397492.db2.gz XJWJEILUVKBSSB-CYBMUJFWSA-N 1 3 234.347 0.637 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)CCCC[NH3+] ZINC000569248145 326397769 /nfs/dbraw/zinc/39/77/69/326397769.db2.gz HTTNYSAILYMVIN-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000165405530 326421835 /nfs/dbraw/zinc/42/18/35/326421835.db2.gz HEXDRZPWCXIIDA-QWRGUYRKSA-N 1 3 229.368 0.770 20 0 BCADHO COC[C@H](C)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396554975 487972761 /nfs/dbraw/zinc/97/27/61/487972761.db2.gz GFDPPAONRXSFPA-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCNCC1(C)C ZINC000309475681 487973331 /nfs/dbraw/zinc/97/33/31/487973331.db2.gz RYDMMXMHDIEZHZ-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO NCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000212747729 487980241 /nfs/dbraw/zinc/98/02/41/487980241.db2.gz OAYXURMZLJBJOJ-NSHDSACASA-N 1 3 235.287 0.245 20 0 BCADHO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)C1CCN(C)CC1 ZINC000134398633 487982017 /nfs/dbraw/zinc/98/20/17/487982017.db2.gz PGAYCCQFPJCCIN-JLLWLGSASA-N 1 3 228.336 0.066 20 0 BCADHO CN1CCC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134537012 487988533 /nfs/dbraw/zinc/98/85/33/487988533.db2.gz GEOQCBJKXFMHQQ-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCN(CC[NH2+]C2CSC2)CC1(C)C ZINC000309603015 487995339 /nfs/dbraw/zinc/99/53/39/487995339.db2.gz YBFOVXNYRKGEMN-UHFFFAOYSA-N 1 3 243.420 0.717 20 0 BCADHO CN1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000062853560 487997769 /nfs/dbraw/zinc/99/77/69/487997769.db2.gz NXEBIJGYBACWGN-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000062853561 487998107 /nfs/dbraw/zinc/99/81/07/487998107.db2.gz NXEBIJGYBACWGN-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO CN(CC[C@H]1CC[NH2+]C1)CC(=O)N1CCCC1 ZINC000396740790 488004278 /nfs/dbraw/zinc/00/42/78/488004278.db2.gz PSHGXIVELLKIKV-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197705 488034073 /nfs/dbraw/zinc/03/40/73/488034073.db2.gz RUBGLOXOLQIUQZ-WOPDTQHZSA-N 1 3 230.352 0.000 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197705 488034078 /nfs/dbraw/zinc/03/40/78/488034078.db2.gz RUBGLOXOLQIUQZ-WOPDTQHZSA-N 1 3 230.352 0.000 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCN(c2ccncc2)CC1 ZINC000655449418 488037837 /nfs/dbraw/zinc/03/78/37/488037837.db2.gz FDJPRCGQCSJLTN-NSHDSACASA-N 1 3 248.330 0.338 20 0 BCADHO C[C@@H](NCCC[NH3+])c1cccc(-n2cnnn2)c1 ZINC000037713310 488039128 /nfs/dbraw/zinc/03/91/28/488039128.db2.gz ZFMQXZDPLPBODI-SNVBAGLBSA-N 1 3 246.318 0.662 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000091393442 488049007 /nfs/dbraw/zinc/04/90/07/488049007.db2.gz NGKBELMUOIEWDR-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669490897 488053049 /nfs/dbraw/zinc/05/30/49/488053049.db2.gz DJRGPWUVTNAXKJ-MWLCHTKSSA-N 1 3 240.351 0.117 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000309217113 488060024 /nfs/dbraw/zinc/06/00/24/488060024.db2.gz FTIXDVQEPJEFGR-NEPJUHHUSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000309217113 488060027 /nfs/dbraw/zinc/06/00/27/488060027.db2.gz FTIXDVQEPJEFGR-NEPJUHHUSA-N 1 3 230.352 0.144 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCNC2=O)C1 ZINC000656200907 488067594 /nfs/dbraw/zinc/06/75/94/488067594.db2.gz YIGINSCMARBBCU-MXWKQRLJSA-N 1 3 225.336 0.372 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[C@@H](C)[NH3+])C1 ZINC000389148929 488078538 /nfs/dbraw/zinc/07/85/38/488078538.db2.gz IXNFCBDTORKHLA-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCCN1CC[C@H](NC(=O)CCC[NH2+]C)C1 ZINC000389138402 488078243 /nfs/dbraw/zinc/07/82/43/488078243.db2.gz GMDGKFLGXDIRHB-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)[N@H+](C)CCCN[C@H]1CCCNC(=O)C1 ZINC000226378603 488084836 /nfs/dbraw/zinc/08/48/36/488084836.db2.gz JWLCDKKTDYOORW-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[N@@H+](C)CCCN[C@H]1CCCNC(=O)C1 ZINC000226378603 488084843 /nfs/dbraw/zinc/08/48/43/488084843.db2.gz JWLCDKKTDYOORW-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000226378603 488084849 /nfs/dbraw/zinc/08/48/49/488084849.db2.gz JWLCDKKTDYOORW-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236942978 488099115 /nfs/dbraw/zinc/09/91/15/488099115.db2.gz HLJXHHUUKVYNTP-MXWKQRLJSA-N 1 3 227.352 0.618 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CC(C)(C)[NH3+] ZINC000237079388 488100710 /nfs/dbraw/zinc/10/07/10/488100710.db2.gz NIDZXYRSIWLCLF-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)C1 ZINC000389568953 488102550 /nfs/dbraw/zinc/10/25/50/488102550.db2.gz AGSMDHWRIWUOCL-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)C1 ZINC000389568953 488102552 /nfs/dbraw/zinc/10/25/52/488102552.db2.gz AGSMDHWRIWUOCL-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000389634341 488103661 /nfs/dbraw/zinc/10/36/61/488103661.db2.gz IVSIBLWENSRBGX-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000389647345 488104689 /nfs/dbraw/zinc/10/46/89/488104689.db2.gz NAFPFLJLLPMJEW-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000389715618 488108650 /nfs/dbraw/zinc/10/86/50/488108650.db2.gz GKPHVWFXSWIWBY-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000669509143 488108861 /nfs/dbraw/zinc/10/88/61/488108861.db2.gz NTKPKLBMUKEQEA-NSHDSACASA-N 1 3 241.379 0.880 20 0 BCADHO NC(C(=O)NC[C@@H]1CCCC[NH2+]1)C(F)(F)F ZINC000669509570 488109830 /nfs/dbraw/zinc/10/98/30/488109830.db2.gz CDBSSZDOEIVXTA-NKWVEPMBSA-N 1 3 239.241 0.134 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)C1(N)CCCC1 ZINC000669510437 488112327 /nfs/dbraw/zinc/11/23/27/488112327.db2.gz IFDXARHGRAKSOQ-UHFFFAOYSA-N 1 3 227.352 0.762 20 0 BCADHO C[NH2+]CCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000669510387 488112851 /nfs/dbraw/zinc/11/28/51/488112851.db2.gz XJASNFYKJBHNAH-GFCCVEGCSA-N 1 3 235.331 0.282 20 0 BCADHO COCCCN(C)CCNC(=O)CC(C)(C)[NH3+] ZINC000237189069 488113503 /nfs/dbraw/zinc/11/35/03/488113503.db2.gz QZGBXOWTVDIACE-UHFFFAOYSA-N 1 3 245.367 0.198 20 0 BCADHO CN(CCC[NH3+])C(=O)C[C@H](N)c1ccccc1 ZINC000669511938 488116864 /nfs/dbraw/zinc/11/68/64/488116864.db2.gz OAMAJHGBVOPMDH-LBPRGKRZSA-N 1 3 235.331 0.884 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCNCC1(C)C ZINC000669512458 488118552 /nfs/dbraw/zinc/11/85/52/488118552.db2.gz YDOBENBCCGRPRY-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO O=C1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[C@H]2N1 ZINC000160335937 488123267 /nfs/dbraw/zinc/12/32/67/488123267.db2.gz XXXZBBWWRRQJPX-IJLUTSLNSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCN1 ZINC000669514627 488123793 /nfs/dbraw/zinc/12/37/93/488123793.db2.gz VPBFBNMXCGHDPS-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000669514688 488123907 /nfs/dbraw/zinc/12/39/07/488123907.db2.gz ZVIDQKRIHANLEJ-UTUOFQBUSA-N 1 3 239.363 0.633 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000220882520 487541804 /nfs/dbraw/zinc/54/18/04/487541804.db2.gz XFFAZMUCYDEWBM-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000220882520 487541811 /nfs/dbraw/zinc/54/18/11/487541811.db2.gz XFFAZMUCYDEWBM-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO CN(CCCn1ccnc1)C[C@@H]1CC[NH2+]C1 ZINC000382755723 487550433 /nfs/dbraw/zinc/55/04/33/487550433.db2.gz NFBRNKNJMGOHLK-GFCCVEGCSA-N 1 3 222.336 0.815 20 0 BCADHO C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)N1CCCC1 ZINC000161092735 487476100 /nfs/dbraw/zinc/47/61/00/487476100.db2.gz FDBSLTYBBUONEK-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662236177 487470740 /nfs/dbraw/zinc/47/07/40/487470740.db2.gz VAGSTUBRHJYTSU-TUAOUCFPSA-N 1 3 227.352 0.177 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662236172 487470988 /nfs/dbraw/zinc/47/09/88/487470988.db2.gz VAGSTUBRHJYTSU-QJPTWQEYSA-N 1 3 227.352 0.177 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272389 487471944 /nfs/dbraw/zinc/47/19/44/487471944.db2.gz LIUJRDZUHJXFAE-SECBINFHSA-N 1 3 249.305 0.475 20 0 BCADHO CC(C)(C)[NH2+]CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405314945 487482163 /nfs/dbraw/zinc/48/21/63/487482163.db2.gz QUQHRZWXLXDTJK-NWDGAFQWSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H](CN(C)C[C@@H](O)C[NH3+])C(C)(C)C ZINC000399484602 487486503 /nfs/dbraw/zinc/48/65/03/487486503.db2.gz DADCJTVNAQCXIC-ZJUUUORDSA-N 1 3 202.342 0.920 20 0 BCADHO C[N@@H+]1CC[C@@](O)(CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657973106 487496622 /nfs/dbraw/zinc/49/66/22/487496622.db2.gz BNVHLXJJEHUXAE-NWDGAFQWSA-N 1 3 240.347 0.354 20 0 BCADHO C[N@H+]1CC[C@@](O)(CN[C@@H]2COC3(CCC3)C2)C1 ZINC000657973106 487496629 /nfs/dbraw/zinc/49/66/29/487496629.db2.gz BNVHLXJJEHUXAE-NWDGAFQWSA-N 1 3 240.347 0.354 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@H]2COC3(CCC3)C2)C1 ZINC000657973102 487497126 /nfs/dbraw/zinc/49/71/26/487497126.db2.gz BNVHLXJJEHUXAE-NEPJUHHUSA-N 1 3 240.347 0.354 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@H]2COC3(CCC3)C2)C1 ZINC000657973102 487497132 /nfs/dbraw/zinc/49/71/32/487497132.db2.gz BNVHLXJJEHUXAE-NEPJUHHUSA-N 1 3 240.347 0.354 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000169808882 487508474 /nfs/dbraw/zinc/50/84/74/487508474.db2.gz QNXVJQNQPJJPIU-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000169808882 487508478 /nfs/dbraw/zinc/50/84/78/487508478.db2.gz QNXVJQNQPJJPIU-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)CC(C)C ZINC000381471950 487509295 /nfs/dbraw/zinc/50/92/95/487509295.db2.gz OZHVSQNJXWEIDL-SNVBAGLBSA-N 1 3 215.341 0.476 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](C)N1C[C@@H]1CCC2(CNC2)O1 ZINC000662267885 487509711 /nfs/dbraw/zinc/50/97/11/487509711.db2.gz YTPUPMSSJWSKDQ-TUAOUCFPSA-N 1 3 239.363 0.190 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C)[NH3+] ZINC000669318272 487520155 /nfs/dbraw/zinc/52/01/55/487520155.db2.gz KLTDLBRHNICBOZ-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H]1[C@H](C)[NH2+]CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662273676 487521910 /nfs/dbraw/zinc/52/19/10/487521910.db2.gz XTKPEFQURADFDC-TUAOUCFPSA-N 1 3 239.363 0.190 20 0 BCADHO CN(C(=O)CC1([NH3+])CCC1)C1CCN(C)CC1 ZINC000094293449 487523938 /nfs/dbraw/zinc/52/39/38/487523938.db2.gz MSGFOUAPXVPJHZ-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CN1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000082771768 487728381 /nfs/dbraw/zinc/72/83/81/487728381.db2.gz MONKMVAZEUCIIP-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000666947966 487889867 /nfs/dbraw/zinc/88/98/67/487889867.db2.gz LXXHNWIAOJLKIU-YFKTTZPYSA-N 1 3 229.343 0.807 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CNCCC1(F)F ZINC000669520375 488141137 /nfs/dbraw/zinc/14/11/37/488141137.db2.gz BCLGATONYDEDAY-SECBINFHSA-N 1 3 249.305 0.488 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1ccnn1C ZINC000230775534 488157068 /nfs/dbraw/zinc/15/70/68/488157068.db2.gz BOXPYVJGXXTONR-QWRGUYRKSA-N 1 3 222.336 0.632 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CCCOCCO)C1 ZINC000230782880 488158152 /nfs/dbraw/zinc/15/81/52/488158152.db2.gz BLQDZJXHTVUIQV-QWRGUYRKSA-N 1 3 216.325 0.245 20 0 BCADHO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)C1CCN(C)CC1 ZINC000134398614 488166793 /nfs/dbraw/zinc/16/67/93/488166793.db2.gz PGAYCCQFPJCCIN-WCQGTBRESA-N 1 3 228.336 0.066 20 0 BCADHO CC(C)(C[NH3+])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000167658053 488183542 /nfs/dbraw/zinc/18/35/42/488183542.db2.gz OEKLIGVBHPNHIR-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404902985 488183752 /nfs/dbraw/zinc/18/37/52/488183752.db2.gz XLMFWEPVVSOEBZ-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CN[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322415696 488187149 /nfs/dbraw/zinc/18/71/49/488187149.db2.gz KDEVQZRPDIEGOL-OFLUOSHYSA-N 1 3 225.336 0.336 20 0 BCADHO CN[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322415696 488187155 /nfs/dbraw/zinc/18/71/55/488187155.db2.gz KDEVQZRPDIEGOL-OFLUOSHYSA-N 1 3 225.336 0.336 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398063044 488206404 /nfs/dbraw/zinc/20/64/04/488206404.db2.gz CJYLTOLQWUMKBB-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CCN(C)CCNC(=O)[C@H](C[NH3+])C(C)C ZINC000054128945 490106693 /nfs/dbraw/zinc/10/66/93/490106693.db2.gz KPRUXQZETOWVGR-SNVBAGLBSA-N 1 3 215.341 0.285 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000662966708 490245870 /nfs/dbraw/zinc/24/58/70/490245870.db2.gz UWNLUWLISZUEMS-VIFPVBQESA-N 1 3 233.315 0.628 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130598407 490408176 /nfs/dbraw/zinc/40/81/76/490408176.db2.gz PCHQSEPSSLRMNW-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC[NH3+] ZINC000261544540 491088946 /nfs/dbraw/zinc/08/89/46/491088946.db2.gz IZMCIKSAGALAGM-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO C[NH2+]Cc1ccccc1CNC(=O)CNC1CC1 ZINC000653214509 491128258 /nfs/dbraw/zinc/12/82/58/491128258.db2.gz YFZUJWVQPGWEBR-UHFFFAOYSA-N 1 3 247.342 0.774 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653216057 491128320 /nfs/dbraw/zinc/12/83/20/491128320.db2.gz PRGOJDOGTULGHZ-LLVKDONJSA-N 1 3 227.352 0.749 20 0 BCADHO C[N@H+]1CC=C(CNCc2cn[nH]c2)CC1 ZINC000309069966 491143968 /nfs/dbraw/zinc/14/39/68/491143968.db2.gz BAGSUJQGXNYOIX-UHFFFAOYSA-N 1 3 206.293 0.761 20 0 BCADHO C[N@@H+]1CC=C(CNCc2cn[nH]c2)CC1 ZINC000309069966 491143969 /nfs/dbraw/zinc/14/39/69/491143969.db2.gz BAGSUJQGXNYOIX-UHFFFAOYSA-N 1 3 206.293 0.761 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H](C)CC[NH+](C)C ZINC000309793163 491156645 /nfs/dbraw/zinc/15/66/45/491156645.db2.gz UUUCACBPGSZFMX-WDEREUQCSA-N 1 3 225.340 0.596 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000335390538 535495437 /nfs/dbraw/zinc/49/54/37/535495437.db2.gz PMNYNSJBEIBSLH-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO COC(=O)N1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1 ZINC000496652347 533948349 /nfs/dbraw/zinc/94/83/49/533948349.db2.gz WIQNFWARBVNZPE-NXEZZACHSA-N 1 3 243.351 0.933 20 0 BCADHO CC[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000173744861 535813758 /nfs/dbraw/zinc/81/37/58/535813758.db2.gz UDNHERKTVFTECZ-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCC[NH+](C)C ZINC000174591583 534147837 /nfs/dbraw/zinc/14/78/37/534147837.db2.gz CUXSEAFVQSXQGU-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000162073964 536334720 /nfs/dbraw/zinc/33/47/20/536334720.db2.gz LZMPBGQNMXCZNP-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@@]1(C)CC[NH2+]C1 ZINC000261695201 536344708 /nfs/dbraw/zinc/34/47/08/536344708.db2.gz BSOYQCOTAYUEIJ-JQWIXIFHSA-N 1 3 227.352 0.300 20 0 BCADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)C ZINC000262590175 534898064 /nfs/dbraw/zinc/89/80/64/534898064.db2.gz QUAMEKJSVMJLFZ-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494872668 528969603 /nfs/dbraw/zinc/96/96/03/528969603.db2.gz HDJMSUZWDAPDNN-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261548680 535057079 /nfs/dbraw/zinc/05/70/79/535057079.db2.gz NVMXCCLTTKETMI-AEJSXWLSSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261548682 535059930 /nfs/dbraw/zinc/05/99/30/535059930.db2.gz NVMXCCLTTKETMI-GUBZILKMSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[NH3+])N1CCCCC1 ZINC000158690612 535133541 /nfs/dbraw/zinc/13/35/41/535133541.db2.gz WSNCIXZNQXKFEW-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@](C)(N)CCC ZINC000261570682 535171097 /nfs/dbraw/zinc/17/10/97/535171097.db2.gz HBRIEVGXNBUUIB-LLVKDONJSA-N 1 3 215.341 0.620 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000261574576 535207785 /nfs/dbraw/zinc/20/77/85/535207785.db2.gz JILBOESVBQFCOV-KXUCPTDWSA-N 1 3 213.325 0.084 20 0 BCADHO CCCN(C(=O)[C@]1(F)CCNC1)[C@@H]1CC[NH2+]C1 ZINC000178936446 535237427 /nfs/dbraw/zinc/23/74/27/535237427.db2.gz TZSXOGIPZKAYEV-PWSUYJOCSA-N 1 3 243.326 0.289 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCNC[C@@H]1C ZINC000261908128 535247347 /nfs/dbraw/zinc/24/73/47/535247347.db2.gz XMXHADZKHKFJOV-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCNC[C@@H]1C ZINC000261908128 535247349 /nfs/dbraw/zinc/24/73/49/535247349.db2.gz XMXHADZKHKFJOV-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000342596318 535363858 /nfs/dbraw/zinc/36/38/58/535363858.db2.gz SCBALBYPHXCTLF-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)N ZINC000167326526 535485751 /nfs/dbraw/zinc/48/57/51/535485751.db2.gz BCJDSSFXBIFODY-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)N ZINC000167326526 535485759 /nfs/dbraw/zinc/48/57/59/535485759.db2.gz BCJDSSFXBIFODY-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261716617 535491793 /nfs/dbraw/zinc/49/17/93/535491793.db2.gz CDFBWDLAYAXKBN-GFCCVEGCSA-N 1 3 227.352 0.526 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351826832 535492086 /nfs/dbraw/zinc/49/20/86/535492086.db2.gz JTZMQSOXTLGJMM-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261716619 535492103 /nfs/dbraw/zinc/49/21/03/535492103.db2.gz CDFBWDLAYAXKBN-LBPRGKRZSA-N 1 3 227.352 0.526 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000261929265 535504540 /nfs/dbraw/zinc/50/45/40/535504540.db2.gz YRZLHLMXRNVANT-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CCC[C@H]1CN(CC[NH3+])CCN1CCOC ZINC000261568721 535740111 /nfs/dbraw/zinc/74/01/11/535740111.db2.gz FUDDCQGKBDRDKZ-LBPRGKRZSA-N 1 3 229.368 0.378 20 0 BCADHO Cn1cncc1CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000347783059 535945324 /nfs/dbraw/zinc/94/53/24/535945324.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCc2cncn2C)C1 ZINC000347783059 535945326 /nfs/dbraw/zinc/94/53/26/535945326.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCc2cncn2C)C1 ZINC000347783059 535945328 /nfs/dbraw/zinc/94/53/28/535945328.db2.gz MHIKGHYBZOJOIY-LBPRGKRZSA-N 1 3 236.363 0.846 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178774276 535953559 /nfs/dbraw/zinc/95/35/59/535953559.db2.gz MYZPJUKICBEDCP-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CN(C(=O)C1(N)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000262423194 535961186 /nfs/dbraw/zinc/96/11/86/535961186.db2.gz GLYHEDVIVUUJOO-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251102222 535994839 /nfs/dbraw/zinc/99/48/39/535994839.db2.gz RNIOBQQSIHGYID-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251102222 535994837 /nfs/dbraw/zinc/99/48/37/535994837.db2.gz RNIOBQQSIHGYID-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO CN(C(=O)C[C@H]1CSCCN1)C1CC([NH3+])C1 ZINC000336212446 536006016 /nfs/dbraw/zinc/00/60/16/536006016.db2.gz XIBHDYATEBRAPW-KYHHOPLUSA-N 1 3 243.376 0.030 20 0 BCADHO CC[C@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000335666358 536138625 /nfs/dbraw/zinc/13/86/25/536138625.db2.gz ORASHOLRIZYIPU-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000261539372 536139196 /nfs/dbraw/zinc/13/91/96/536139196.db2.gz CFWLOFHQSLGMMN-GUBZILKMSA-N 1 3 213.325 0.310 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352020089 536354555 /nfs/dbraw/zinc/35/45/55/536354555.db2.gz GZLCGEHZIFITKI-UPJWGTAASA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352020089 536354556 /nfs/dbraw/zinc/35/45/56/536354556.db2.gz GZLCGEHZIFITKI-UPJWGTAASA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCNC1(CO)CCOCC1 ZINC000348068002 536370185 /nfs/dbraw/zinc/37/01/85/536370185.db2.gz FLXPNIAEKZZXST-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCNC1(CO)CCOCC1 ZINC000348068002 536370189 /nfs/dbraw/zinc/37/01/89/536370189.db2.gz FLXPNIAEKZZXST-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO CNC(=O)[C@@]1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262033513 536372735 /nfs/dbraw/zinc/37/27/35/536372735.db2.gz OHVKHFMMAPPJKV-STQMWFEESA-N 1 3 239.363 0.444 20 0 BCADHO CN(CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC1 ZINC000261799550 536376334 /nfs/dbraw/zinc/37/63/34/536376334.db2.gz QUGQGMAGZUNXLX-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@H+](C[C@H]1CCC[C@@H]1O)CC(C)(C)N ZINC000261531124 536448230 /nfs/dbraw/zinc/44/82/30/536448230.db2.gz FHBMDILLCFKVCD-ZJUUUORDSA-N 1 3 200.326 0.817 20 0 BCADHO C[N@@H+](C[C@H]1CCC[C@@H]1O)CC(C)(C)N ZINC000261531124 536448233 /nfs/dbraw/zinc/44/82/33/536448233.db2.gz FHBMDILLCFKVCD-ZJUUUORDSA-N 1 3 200.326 0.817 20 0 BCADHO CN1CCC(O)(C[NH2+]CC2(C)CC2)CC1 ZINC000379915550 566446762 /nfs/dbraw/zinc/44/67/62/566446762.db2.gz BUVNPYXGNGUHKB-UHFFFAOYSA-N 1 3 212.337 0.833 20 0 BCADHO CC(=O)OC[C@@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000893305631 583095646 /nfs/dbraw/zinc/09/56/46/583095646.db2.gz WMNXFCKGZJUZFK-SNVBAGLBSA-N 1 3 226.320 0.790 20 0 BCADHO COC(=O)N(C)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000854226550 588780424 /nfs/dbraw/zinc/78/04/24/588780424.db2.gz HICBHKHNJPTOAI-IUCAKERBSA-N 1 3 217.313 0.400 20 0 BCADHO CN(C)C1(C(=O)N2CC(C[NH+](C)C)C2)CCC1 ZINC000854721635 588804264 /nfs/dbraw/zinc/80/42/64/588804264.db2.gz HZHSOCGYIOLWJN-UHFFFAOYSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC000855416013 588831988 /nfs/dbraw/zinc/83/19/88/588831988.db2.gz RWGLAQIALPSCIT-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH+]1CCC(CN2CCCC[C@@H]2C(N)=O)CC1 ZINC000891489097 582692507 /nfs/dbraw/zinc/69/25/07/582692507.db2.gz DYYUXWONLLIWIY-GFCCVEGCSA-N 1 3 239.363 0.668 20 0 BCADHO OCc1cnccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891781231 582720628 /nfs/dbraw/zinc/72/06/28/582720628.db2.gz HGWZXMVGJGQOJU-LLVKDONJSA-N 1 3 247.342 0.892 20 0 BCADHO OCc1cnccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000891781231 582720630 /nfs/dbraw/zinc/72/06/30/582720630.db2.gz HGWZXMVGJGQOJU-LLVKDONJSA-N 1 3 247.342 0.892 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)N(C)C ZINC000891940411 582741696 /nfs/dbraw/zinc/74/16/96/582741696.db2.gz QORJWUSOEVMLFO-LPEHRKFASA-N 1 3 228.340 0.068 20 0 BCADHO C[NH2+]CCNC(=O)N1CCN(C)C(C)(C)CC1 ZINC000891992027 582755258 /nfs/dbraw/zinc/75/52/58/582755258.db2.gz AVGRZVQOQXUVKB-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CNC(=[NH2+])NC[C@H](C)N1CCCC[C@H]1C ZINC000848987001 582817868 /nfs/dbraw/zinc/81/78/68/582817868.db2.gz DKZZIGSXPUYKTD-ZJUUUORDSA-N 1 3 212.341 0.993 20 0 BCADHO CNC(=[NH2+])NC[C@@H](C)N1CCCC[C@@H]1C ZINC000848986999 582818249 /nfs/dbraw/zinc/81/82/49/582818249.db2.gz DKZZIGSXPUYKTD-VHSXEESVSA-N 1 3 212.341 0.993 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)COCCOC)C1 ZINC000892612923 582929486 /nfs/dbraw/zinc/92/94/86/582929486.db2.gz GJWCHJKJCYGLPW-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)COCCOC)C1 ZINC000892612923 582929487 /nfs/dbraw/zinc/92/94/87/582929487.db2.gz GJWCHJKJCYGLPW-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@@H](C)COCCOC)C1 ZINC000892612923 582929488 /nfs/dbraw/zinc/92/94/88/582929488.db2.gz GJWCHJKJCYGLPW-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO CC(=O)OC[C@H](C)[NH2+]CC1=CCN(C)CC1 ZINC000893305630 583095726 /nfs/dbraw/zinc/09/57/26/583095726.db2.gz WMNXFCKGZJUZFK-JTQLQIEISA-N 1 3 226.320 0.790 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000893694482 583202478 /nfs/dbraw/zinc/20/24/78/583202478.db2.gz VSISALBFKZOPCZ-ZDUSSCGKSA-N 1 3 249.362 0.867 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC000893694482 583202481 /nfs/dbraw/zinc/20/24/81/583202481.db2.gz VSISALBFKZOPCZ-ZDUSSCGKSA-N 1 3 249.362 0.867 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000857106862 588888242 /nfs/dbraw/zinc/88/82/42/588888242.db2.gz CLUKLRZCRAIABQ-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000857107071 588888361 /nfs/dbraw/zinc/88/83/61/588888361.db2.gz KBGVJVUDQSPCRB-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283750 583307211 /nfs/dbraw/zinc/30/72/11/583307211.db2.gz QRYAILNRFQDJGO-GMTAPVOTSA-N 1 3 237.347 0.337 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)[C@@H]1NCC1(C)C ZINC000877438099 583313383 /nfs/dbraw/zinc/31/33/83/583313383.db2.gz JLWJTBQDCRCQIS-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000894184732 583332663 /nfs/dbraw/zinc/33/26/63/583332663.db2.gz FGFMPUNUQXPBSP-CYBMUJFWSA-N 1 3 239.363 0.526 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000894184732 583332666 /nfs/dbraw/zinc/33/26/66/583332666.db2.gz FGFMPUNUQXPBSP-CYBMUJFWSA-N 1 3 239.363 0.526 20 0 BCADHO C[NH+]1CCC(CN2CC[C@](F)(CO)C2)CC1 ZINC000894279464 583407395 /nfs/dbraw/zinc/40/73/95/583407395.db2.gz DOLDOXANAHVJSM-GFCCVEGCSA-N 1 3 230.327 0.735 20 0 BCADHO CCO[C@@H](CC[NH+](C)C)CNCc1c[nH]cn1 ZINC000894399003 583448745 /nfs/dbraw/zinc/44/87/45/583448745.db2.gz BWUVFENJTRGFTH-LBPRGKRZSA-N 1 3 240.351 0.856 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCCNCC2)C1 ZINC000334953273 583596938 /nfs/dbraw/zinc/59/69/38/583596938.db2.gz SZAIUFXFYRAQCD-GHMZBOCLSA-N 1 3 240.351 0.261 20 0 BCADHO CCN1CC[C@H]1CNc1cc[nH+]cc1CO ZINC000895162556 583610905 /nfs/dbraw/zinc/61/09/05/583610905.db2.gz WXLONYLTSIXOAO-NSHDSACASA-N 1 3 221.304 0.502 20 0 BCADHO CC(=O)OC[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895429521 583669036 /nfs/dbraw/zinc/66/90/36/583669036.db2.gz OYWDBSPUKIIFAD-UWVGGRQHSA-N 1 3 216.325 0.868 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000895669251 583706125 /nfs/dbraw/zinc/70/61/25/583706125.db2.gz XDWRJIBLEATLGM-VXGBXAGGSA-N 1 3 238.331 0.433 20 0 BCADHO CN1CCC(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000895669251 583706126 /nfs/dbraw/zinc/70/61/26/583706126.db2.gz XDWRJIBLEATLGM-VXGBXAGGSA-N 1 3 238.331 0.433 20 0 BCADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC000897845448 584054153 /nfs/dbraw/zinc/05/41/53/584054153.db2.gz QJQISWSHBAUOTO-SRVKXCTJSA-N 1 3 239.363 0.632 20 0 BCADHO C[C@H](NC(=[NH2+])NCCCN(C)C)C1CC1 ZINC000899263591 584190903 /nfs/dbraw/zinc/19/09/03/584190903.db2.gz DSEDSDZYYSTWDZ-VIFPVBQESA-N 1 3 212.341 0.851 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000900694845 584338863 /nfs/dbraw/zinc/33/88/63/584338863.db2.gz KUFJLGTUSKRGJF-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@H]2COCCO2)C1 ZINC000902319802 584551485 /nfs/dbraw/zinc/55/14/85/584551485.db2.gz NCMQKQBHCFAKCD-VXGBXAGGSA-N 1 3 242.363 0.770 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@]2(O)CCOC2)C1 ZINC000902360588 584571503 /nfs/dbraw/zinc/57/15/03/584571503.db2.gz HIJGMZLUNRFROA-WCQYABFASA-N 1 3 242.363 0.506 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000902360588 584571504 /nfs/dbraw/zinc/57/15/04/584571504.db2.gz HIJGMZLUNRFROA-WCQYABFASA-N 1 3 242.363 0.506 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@@]2(O)CCOC2)C1 ZINC000902360586 584571582 /nfs/dbraw/zinc/57/15/82/584571582.db2.gz HIJGMZLUNRFROA-AAEUAGOBSA-N 1 3 242.363 0.506 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000902360586 584571583 /nfs/dbraw/zinc/57/15/83/584571583.db2.gz HIJGMZLUNRFROA-AAEUAGOBSA-N 1 3 242.363 0.506 20 0 BCADHO COC[C@@](C)(O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361475 584572031 /nfs/dbraw/zinc/57/20/31/584572031.db2.gz PPRBKVJSTBCABW-YPMHNXCESA-N 1 3 244.379 0.752 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2COCCN2)C1 ZINC000902397021 584585619 /nfs/dbraw/zinc/58/56/19/584585619.db2.gz LUVTUYHBMIRFBM-NEPJUHHUSA-N 1 3 241.379 0.343 20 0 BCADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCON ZINC000902417691 584591299 /nfs/dbraw/zinc/59/12/99/584591299.db2.gz YQTHWKMJIDGLTP-VHSXEESVSA-N 1 3 201.314 0.245 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1C[NH2+]CC1(C)C ZINC000902444834 584598969 /nfs/dbraw/zinc/59/89/69/584598969.db2.gz OTRYQAIEPKNACI-UTUOFQBUSA-N 1 3 241.379 0.341 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCON ZINC000902414858 584600335 /nfs/dbraw/zinc/60/03/35/584600335.db2.gz DXSIVMVVGGAWIX-VHSXEESVSA-N 1 3 201.314 0.374 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+]CCCON)C1 ZINC000902414826 584600597 /nfs/dbraw/zinc/60/05/97/584600597.db2.gz DCWZYJUBWAEFEH-SNVBAGLBSA-N 1 3 215.341 0.635 20 0 BCADHO C(N[C@@H]1CNCCOC1)[C@@H]1CCCCC[NH2+]1 ZINC000902477793 584603286 /nfs/dbraw/zinc/60/32/86/584603286.db2.gz SCFYEUMRKKNULY-NWDGAFQWSA-N 1 3 227.352 0.097 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1C[NH2+]CC1(C)C ZINC000902451320 584606530 /nfs/dbraw/zinc/60/65/30/584606530.db2.gz WKKZGSJDROUPKC-GMTAPVOTSA-N 1 3 211.353 0.524 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902450425 584606672 /nfs/dbraw/zinc/60/66/72/584606672.db2.gz DHFVAWNPHKSWEG-DJZSBQJZSA-N 1 3 222.332 0.879 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@H](C)C[C@@H](C)[NH3+] ZINC000902456214 584610200 /nfs/dbraw/zinc/61/02/00/584610200.db2.gz ODOCJKSWASNHHI-GWOFURMSSA-N 1 3 216.325 0.506 20 0 BCADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1nccn1C ZINC000902489989 584617542 /nfs/dbraw/zinc/61/75/42/584617542.db2.gz QNSKXHUBOHDXFK-OPRDCNLKSA-N 1 3 208.309 0.808 20 0 BCADHO CCS(=O)(=O)C[C@@H](C)N[C@H]1C[C@H](C[NH3+])C1 ZINC000902487028 584626080 /nfs/dbraw/zinc/62/60/80/584626080.db2.gz ISHMPIHHAABPJP-OPRDCNLKSA-N 1 3 234.365 0.137 20 0 BCADHO C[C@H](N[C@H]1COC[C@@H]1C1CC1)C1C[NH2+]C1 ZINC000902517548 584629832 /nfs/dbraw/zinc/62/98/32/584629832.db2.gz JJVGMKPTXJTYPR-AXTRIDKLSA-N 1 3 210.321 0.609 20 0 BCADHO C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)C1CNC1 ZINC000902517548 584629833 /nfs/dbraw/zinc/62/98/33/584629833.db2.gz JJVGMKPTXJTYPR-AXTRIDKLSA-N 1 3 210.321 0.609 20 0 BCADHO C[C@H](N[C@H]1COC[C@H]1C1CC1)C1C[NH2+]C1 ZINC000902517551 584630090 /nfs/dbraw/zinc/63/00/90/584630090.db2.gz JJVGMKPTXJTYPR-UWJYBYFXSA-N 1 3 210.321 0.609 20 0 BCADHO C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)C1CNC1 ZINC000902517551 584630091 /nfs/dbraw/zinc/63/00/91/584630091.db2.gz JJVGMKPTXJTYPR-UWJYBYFXSA-N 1 3 210.321 0.609 20 0 BCADHO C[NH+](C)CCCN[C@H]1CCO[C@@]12CCOC2 ZINC000903056185 584722299 /nfs/dbraw/zinc/72/22/99/584722299.db2.gz RHGJMRVBJFFIMX-NWDGAFQWSA-N 1 3 228.336 0.476 20 0 BCADHO CON1CC[C@H](N2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000903423638 584764224 /nfs/dbraw/zinc/76/42/24/584764224.db2.gz ZBQLQCOBQAGXGJ-KOLCDFICSA-N 1 3 241.335 0.208 20 0 BCADHO CON1CC[C@@H](N2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000903423631 584764622 /nfs/dbraw/zinc/76/46/22/584764622.db2.gz ZBQLQCOBQAGXGJ-GXSJLCMTSA-N 1 3 241.335 0.208 20 0 BCADHO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCCO1 ZINC000903458727 584765521 /nfs/dbraw/zinc/76/55/21/584765521.db2.gz IHCMYLYVIBLGNH-WYUUTHIRSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@@H]1CN(C)[C@@H](C)CN1C[C@H]1CCC[NH2+]1 ZINC000903455331 584774134 /nfs/dbraw/zinc/77/41/34/584774134.db2.gz UNPIDHGYNNUFFS-QJPTWQEYSA-N 1 3 211.353 0.763 20 0 BCADHO C[C@H]1CN(C[C@H]2CCC[NH2+]2)[C@@H](C)CN1C ZINC000903455332 584774198 /nfs/dbraw/zinc/77/41/98/584774198.db2.gz UNPIDHGYNNUFFS-SDDRHHMPSA-N 1 3 211.353 0.763 20 0 BCADHO C[NH2+]C[C@@H]1CCCCN1C[C@H]1CNCCO1 ZINC000903526484 584781825 /nfs/dbraw/zinc/78/18/25/584781825.db2.gz IBCBIUTVRZZHKL-NWDGAFQWSA-N 1 3 227.352 0.049 20 0 BCADHO COC[C@@](C)(CCO)NC[C@@H]1CCCC[NH2+]C1 ZINC000903732801 584792804 /nfs/dbraw/zinc/79/28/04/584792804.db2.gz HZNKKCFEJAIXHX-CHWSQXEVSA-N 1 3 244.379 0.753 20 0 BCADHO O[C@H]1CCN(CC2CC[NH2+]CC2)C[C@H]1F ZINC000903712933 584793766 /nfs/dbraw/zinc/79/37/66/584793766.db2.gz VPNAACSISLSICX-MNOVXSKESA-N 1 3 216.300 0.391 20 0 BCADHO O[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903763003 584797229 /nfs/dbraw/zinc/79/72/29/584797229.db2.gz GORKFAZZJOEQJS-FRRDWIJNSA-N 1 3 240.347 0.212 20 0 BCADHO CCN(CCC(=O)NC)C[C@H]1CC[NH2+]C1 ZINC000903827426 584804946 /nfs/dbraw/zinc/80/49/46/584804946.db2.gz SHXBRCBDRGIWGB-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO C[C@@H]1CCOCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903833450 584805976 /nfs/dbraw/zinc/80/59/76/584805976.db2.gz WVOAHQBNXYJEFB-VXGBXAGGSA-N 1 3 240.347 0.618 20 0 BCADHO C[C@H]1CCOCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903833808 584805984 /nfs/dbraw/zinc/80/59/84/584805984.db2.gz YEGFTCLQPRYJIA-NWDGAFQWSA-N 1 3 240.347 0.476 20 0 BCADHO C[C@@H]1CCOCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903833804 584805987 /nfs/dbraw/zinc/80/59/87/584805987.db2.gz YEGFTCLQPRYJIA-NEPJUHHUSA-N 1 3 240.347 0.476 20 0 BCADHO COCCOCC[N@@H+]1CC[C@@H]2CC[C@]21CN ZINC000903858443 584810656 /nfs/dbraw/zinc/81/06/56/584810656.db2.gz YLVREWWHWZPYIT-RYUDHWBXSA-N 1 3 228.336 0.463 20 0 BCADHO COCCOCC[N@H+]1CC[C@@H]2CC[C@]21CN ZINC000903858443 584810657 /nfs/dbraw/zinc/81/06/57/584810657.db2.gz YLVREWWHWZPYIT-RYUDHWBXSA-N 1 3 228.336 0.463 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903859143 584811323 /nfs/dbraw/zinc/81/13/23/584811323.db2.gz LGQUOJLFAZJXCH-CMPLNLGQSA-N 1 3 226.320 0.753 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903859143 584811324 /nfs/dbraw/zinc/81/13/24/584811324.db2.gz LGQUOJLFAZJXCH-CMPLNLGQSA-N 1 3 226.320 0.753 20 0 BCADHO CC(C)(CCO)NC[C@@H]([NH3+])CC(F)F ZINC000903899179 584820435 /nfs/dbraw/zinc/82/04/35/584820435.db2.gz QIGGAYWDDILTGY-ZETCQYMHSA-N 1 3 210.268 0.720 20 0 BCADHO CCN(CCC(N)=O)C[C@@]1(C)CC[NH2+]C1 ZINC000903987576 584836151 /nfs/dbraw/zinc/83/61/51/584836151.db2.gz HHXUOYTWHFAGTG-NSHDSACASA-N 1 3 213.325 0.183 20 0 BCADHO CNC(=O)[C@@H]1CCCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904308481 584862787 /nfs/dbraw/zinc/86/27/87/584862787.db2.gz QUXOYKYJZFHTCF-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](CO)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324762 584865438 /nfs/dbraw/zinc/86/54/38/584865438.db2.gz KWUSQLRICJMNEM-XQQFMLRXSA-N 1 3 241.379 0.112 20 0 BCADHO Nc1ccc(CN2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000904333967 584866447 /nfs/dbraw/zinc/86/64/47/584866447.db2.gz HVVMPIBQRCTHTL-JTQLQIEISA-N 1 3 235.335 0.620 20 0 BCADHO CC(C)C[C@H]1C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904341186 584867367 /nfs/dbraw/zinc/86/73/67/584867367.db2.gz KBWSJOVQHUIDQM-TUAOUCFPSA-N 1 3 239.363 0.570 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CC[C@](F)(CO)C2)C1 ZINC000904350392 584869066 /nfs/dbraw/zinc/86/90/66/584869066.db2.gz KIFIZQZKOMCTSB-KXUCPTDWSA-N 1 3 202.273 0.130 20 0 BCADHO Nc1ccc(CN[C@H]2CC[C@H](C[NH3+])C2)nn1 ZINC000904354834 584870686 /nfs/dbraw/zinc/87/06/86/584870686.db2.gz JNOYYZNXJYQWFO-IUCAKERBSA-N 1 3 221.308 0.276 20 0 BCADHO C[C@@H](O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368589 584872698 /nfs/dbraw/zinc/87/26/98/584872698.db2.gz LRSVQTZYQMNVRL-LPWJVIDDSA-N 1 3 241.379 0.111 20 0 BCADHO C([C@H]1CCSC1)N1CCNCC[NH2+]CC1 ZINC000904397090 584875487 /nfs/dbraw/zinc/87/54/87/584875487.db2.gz YKHUFZHSYBTGCD-LLVKDONJSA-N 1 3 229.393 0.234 20 0 BCADHO C[C@H]1CN(Cc2cnc(N)cn2)CC[C@H]1C[NH3+] ZINC000904409842 584879046 /nfs/dbraw/zinc/87/90/46/584879046.db2.gz JSIHHBJGDZLGKL-UWVGGRQHSA-N 1 3 235.335 0.476 20 0 BCADHO Nc1cnc(CN2CC[C@H](CC[NH3+])C2)cn1 ZINC000904407353 584879292 /nfs/dbraw/zinc/87/92/92/584879292.db2.gz UJGLELFAFPSEDU-VIFPVBQESA-N 1 3 221.308 0.230 20 0 BCADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000740749655 585106341 /nfs/dbraw/zinc/10/63/41/585106341.db2.gz JEHFCGMWYMUTII-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000740749654 585106397 /nfs/dbraw/zinc/10/63/97/585106397.db2.gz JEHFCGMWYMUTII-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH+](C)CCCCC(=O)N1CCNC(C)(C)C1 ZINC000747921065 585185928 /nfs/dbraw/zinc/18/59/28/585185928.db2.gz KRIOBAUCRPRAHM-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO COCCOCC[N@H+](C)CC1CCN(C)CC1 ZINC000750825796 585220362 /nfs/dbraw/zinc/22/03/62/585220362.db2.gz KWJOUHDCUMQBHQ-UHFFFAOYSA-N 1 3 244.379 0.923 20 0 BCADHO COCCOCC[N@@H+](C)CC1CCN(C)CC1 ZINC000750825796 585220363 /nfs/dbraw/zinc/22/03/63/585220363.db2.gz KWJOUHDCUMQBHQ-UHFFFAOYSA-N 1 3 244.379 0.923 20 0 BCADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC000763025430 585441675 /nfs/dbraw/zinc/44/16/75/585441675.db2.gz RXEUPTRENGUGRY-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO CN(CC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC000769933164 585566080 /nfs/dbraw/zinc/56/60/80/585566080.db2.gz FDAOHGMTDOCEMU-LLVKDONJSA-N 1 3 225.336 0.149 20 0 BCADHO CCN(CC)CCC[NH2+]C1CCN(C=O)CC1 ZINC000774096818 585650379 /nfs/dbraw/zinc/65/03/79/585650379.db2.gz LWUDBQCCFSLPEW-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CC)CC[C@@H](CO)[NH2+]C[C@@H](O)C1CC1 ZINC000843105735 586384761 /nfs/dbraw/zinc/38/47/61/586384761.db2.gz UYXDCPLYRXHGBA-QWHCGFSZSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(C)C1 ZINC000817890316 586831758 /nfs/dbraw/zinc/83/17/58/586831758.db2.gz RTRNBQWFCPFDKG-UTUOFQBUSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000817914335 586839860 /nfs/dbraw/zinc/83/98/60/586839860.db2.gz VHZMJPJHHPUHOQ-GRYCIOLGSA-N 1 3 211.353 0.940 20 0 BCADHO COc1cccc2c1OC[C@H](NCCC[NH3+])C2 ZINC000817938184 586844536 /nfs/dbraw/zinc/84/45/36/586844536.db2.gz GLQKFSNHFBGWJZ-LLVKDONJSA-N 1 3 236.315 0.937 20 0 BCADHO CN(C(=O)[C@@H]1NCC1(C)C)C1CCC([NH3+])CC1 ZINC000818528636 586897833 /nfs/dbraw/zinc/89/78/33/586897833.db2.gz BJKIWKAMCIPECF-ILDUYXDCSA-N 1 3 239.363 0.713 20 0 BCADHO NC1(C(=O)N2CCCc3cc(C[NH3+])ccc32)CC1 ZINC000818553166 586900154 /nfs/dbraw/zinc/90/01/54/586900154.db2.gz ASOZTIBBTFVLDV-UHFFFAOYSA-N 1 3 245.326 0.916 20 0 BCADHO CCNCC(=O)Nc1ccccc1C[NH2+]C ZINC000818560340 586901426 /nfs/dbraw/zinc/90/14/26/586901426.db2.gz MVAMESJFQIIIRB-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO CCNCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000818574776 586902512 /nfs/dbraw/zinc/90/25/12/586902512.db2.gz NHGGLNMNTDZECX-DCAQKATOSA-N 1 3 225.336 0.182 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)c1cccc(CN)c1 ZINC000818582460 586903278 /nfs/dbraw/zinc/90/32/78/586903278.db2.gz TUBQKIUVVCXKPS-SNVBAGLBSA-N 1 3 235.331 0.873 20 0 BCADHO CCNCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000818595119 586904480 /nfs/dbraw/zinc/90/44/80/586904480.db2.gz COYQUOWXNHCCHG-SNVBAGLBSA-N 1 3 213.325 0.244 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc(CN)c1 ZINC000818605046 586905829 /nfs/dbraw/zinc/90/58/29/586905829.db2.gz UQAJEZIBLOHMRB-CABZTGNLSA-N 1 3 233.315 0.707 20 0 BCADHO [NH3+][C@H](CC(=O)NCCNc1ccncc1)C1CC1 ZINC000827433690 587381070 /nfs/dbraw/zinc/38/10/70/587381070.db2.gz KKYZNGFELBNZLT-GFCCVEGCSA-N 1 3 248.330 0.159 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000829475529 587499725 /nfs/dbraw/zinc/49/97/25/587499725.db2.gz YJBRODKMHYPJTH-GFCCVEGCSA-N 1 3 245.342 0.536 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@]1(F)CCNC1 ZINC000829475529 587499726 /nfs/dbraw/zinc/49/97/26/587499726.db2.gz YJBRODKMHYPJTH-GFCCVEGCSA-N 1 3 245.342 0.536 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCCCCCC[NH3+] ZINC000831166018 587588587 /nfs/dbraw/zinc/58/85/87/587588587.db2.gz NHZCRBTVGAJDFR-NSHDSACASA-N 1 3 244.383 0.755 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000831860498 587634545 /nfs/dbraw/zinc/63/45/45/587634545.db2.gz VAOUFIKLVUJUOP-CMPLNLGQSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCC[C@H]1C ZINC000831970498 587639876 /nfs/dbraw/zinc/63/98/76/587639876.db2.gz HKTOYUYZSLSCDS-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)CNC1CC1 ZINC000831971480 587640432 /nfs/dbraw/zinc/64/04/32/587640432.db2.gz YQOGUYCESHXULJ-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)CNC1CC1 ZINC000831971480 587640433 /nfs/dbraw/zinc/64/04/33/587640433.db2.gz YQOGUYCESHXULJ-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000831970318 587640483 /nfs/dbraw/zinc/64/04/83/587640483.db2.gz CHQHUCVAGAHJDB-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000832083507 587644635 /nfs/dbraw/zinc/64/46/35/587644635.db2.gz ZZPDRBRRASIWDW-LBPRGKRZSA-N 1 3 243.326 0.241 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000832135908 587646143 /nfs/dbraw/zinc/64/61/43/587646143.db2.gz UFUHQKVLJDLSPG-PWSUYJOCSA-N 1 3 243.326 0.098 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000834608642 587760513 /nfs/dbraw/zinc/76/05/13/587760513.db2.gz KXGGNGCBFNLNNE-GXSJLCMTSA-N 1 3 221.304 0.192 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000834608825 587760544 /nfs/dbraw/zinc/76/05/44/587760544.db2.gz VCVMEQXYFJDNQP-ONGXEEELSA-N 1 3 221.304 0.020 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](C)NC2CC2)CC[C@H]1[NH3+] ZINC000834646937 587762614 /nfs/dbraw/zinc/76/26/14/587762614.db2.gz KMNBLVFSSJOJBS-HOSYDEDBSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(CN)c1 ZINC000834642173 587762663 /nfs/dbraw/zinc/76/26/63/587762663.db2.gz PXEXUGKHAHVKCF-ZWNOBZJWSA-N 1 3 247.342 0.873 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000834703520 587764796 /nfs/dbraw/zinc/76/47/96/587764796.db2.gz MHLWPHLKFZDGSB-PWSUYJOCSA-N 1 3 243.326 0.275 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000834786173 587766955 /nfs/dbraw/zinc/76/69/55/587766955.db2.gz LOCBDDDBPQBYEB-MWLCHTKSSA-N 1 3 231.315 0.322 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)c1cccc(CN)c1 ZINC000834827191 587768070 /nfs/dbraw/zinc/76/80/70/587768070.db2.gz RSZJURBHRWAWNZ-LLVKDONJSA-N 1 3 221.304 0.612 20 0 BCADHO [NH3+]CCCCCC(=O)N[C@@H]1CNCCC1(F)F ZINC000834845860 587768477 /nfs/dbraw/zinc/76/84/77/587768477.db2.gz HYNLZOTXFLIMNM-SECBINFHSA-N 1 3 249.305 0.619 20 0 BCADHO [NH3+][C@H](CC(=O)N[C@@H]1CNCCC1(F)F)C1CC1 ZINC000834846309 587768494 /nfs/dbraw/zinc/76/84/94/587768494.db2.gz RUTOHYDGCIZHCU-RKDXNWHRSA-N 1 3 247.289 0.227 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000834846073 587768645 /nfs/dbraw/zinc/76/86/45/587768645.db2.gz MRDVFXSONAYKIM-YUMQZZPRSA-N 1 3 247.289 0.098 20 0 BCADHO [NH3+][C@@H](CC(=O)N[C@H]1CNCCC1(F)F)C1CC1 ZINC000834846308 587768652 /nfs/dbraw/zinc/76/86/52/587768652.db2.gz RUTOHYDGCIZHCU-IUCAKERBSA-N 1 3 247.289 0.227 20 0 BCADHO C[C@H](CNC(=O)NCCC[NH3+])N1CCCCC1 ZINC000841725594 587973290 /nfs/dbraw/zinc/97/32/90/587973290.db2.gz NRJZQKGSBLVMHW-LLVKDONJSA-N 1 3 242.367 0.509 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841845690 587976814 /nfs/dbraw/zinc/97/68/14/587976814.db2.gz GDHLTXMXPXPDFP-GXSJLCMTSA-N 1 3 225.336 0.385 20 0 BCADHO CCNCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000841850256 587977876 /nfs/dbraw/zinc/97/78/76/587977876.db2.gz HCUIYHGMAVSYLV-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)CCN1 ZINC000841851235 587978335 /nfs/dbraw/zinc/97/83/35/587978335.db2.gz IMOUKTAYIBXIQP-PWSUYJOCSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H]1NCCN(C(=O)c2cccc(C[NH3+])c2)[C@H]1C ZINC000841850421 587978572 /nfs/dbraw/zinc/97/85/72/587978572.db2.gz SQNCBINXAGDNGB-MNOVXSKESA-N 1 3 247.342 0.968 20 0 BCADHO CC[NH2+]CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000841851776 587978581 /nfs/dbraw/zinc/97/85/81/587978581.db2.gz XDCXGVYNEHVOTH-CYBMUJFWSA-N 1 3 247.342 0.599 20 0 BCADHO C[C@@H](CS(C)(=O)=O)NCCCCCC[NH3+] ZINC000843343338 588101588 /nfs/dbraw/zinc/10/15/88/588101588.db2.gz ZLYSMEBTSNGPCK-JTQLQIEISA-N 1 3 236.381 0.528 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCN1CCOC1=O ZINC000843356294 588102977 /nfs/dbraw/zinc/10/29/77/588102977.db2.gz TVGJNACOPNGINI-LLVKDONJSA-N 1 3 229.324 0.402 20 0 BCADHO CCNCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843452623 588111948 /nfs/dbraw/zinc/11/19/48/588111948.db2.gz UPFIJDLJLJWSQQ-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)([NH3+])CCC(=O)N[C@H]1CNCCC1(F)F ZINC000843483948 588114249 /nfs/dbraw/zinc/11/42/49/588114249.db2.gz LGORFSYHCOTMDQ-QMMMGPOBSA-N 1 3 249.305 0.617 20 0 BCADHO CCNCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000843484946 588114266 /nfs/dbraw/zinc/11/42/66/588114266.db2.gz XCXJTGMVJWUNRC-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO CCNCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000843498890 588115895 /nfs/dbraw/zinc/11/58/95/588115895.db2.gz VRXNUGQGKIMIBV-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000844183041 588172144 /nfs/dbraw/zinc/17/21/44/588172144.db2.gz OGWFEFDFCPVSRX-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000844183041 588172146 /nfs/dbraw/zinc/17/21/46/588172146.db2.gz OGWFEFDFCPVSRX-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000844183041 588172148 /nfs/dbraw/zinc/17/21/48/588172148.db2.gz OGWFEFDFCPVSRX-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000844191052 588172613 /nfs/dbraw/zinc/17/26/13/588172613.db2.gz PJJWPMHAWYMIST-MWLCHTKSSA-N 1 3 225.336 0.195 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000844190512 588173012 /nfs/dbraw/zinc/17/30/12/588173012.db2.gz JFHGSKQBXWEJDG-VHSXEESVSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848438405 588385123 /nfs/dbraw/zinc/38/51/23/588385123.db2.gz SOEKZAFZKLRXAM-VDTYLAMSSA-N 1 3 239.241 0.133 20 0 BCADHO CNC(=[NH2+])NCCN(C)C1CCCCC1 ZINC000848987832 588426086 /nfs/dbraw/zinc/42/60/86/588426086.db2.gz FSZBBVKBDPDKRV-UHFFFAOYSA-N 1 3 212.341 0.995 20 0 BCADHO CCOCCCNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030268 588442142 /nfs/dbraw/zinc/44/21/42/588442142.db2.gz HEFBPQSFZAXILZ-LLVKDONJSA-N 1 3 244.383 0.725 20 0 BCADHO CCNC(=[NH2+])NCCN1CCCC1(C)C ZINC000849039160 588446597 /nfs/dbraw/zinc/44/65/97/588446597.db2.gz KUNFIRZCNSBWHY-UHFFFAOYSA-N 1 3 212.341 0.995 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851634320 588612226 /nfs/dbraw/zinc/61/22/26/588612226.db2.gz CIUOKZQHDMYWHE-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852864269 588709142 /nfs/dbraw/zinc/70/91/42/588709142.db2.gz QROOERNIMHCFPU-PWSUYJOCSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000852870288 588709599 /nfs/dbraw/zinc/70/95/99/588709599.db2.gz RGTFAHFZMLJITG-FXBDTBDDSA-N 1 3 229.299 0.025 20 0 BCADHO C[NH2+]CCN(C)C(=O)C1(NC2CC2)CCC1 ZINC000852874748 588710019 /nfs/dbraw/zinc/71/00/19/588710019.db2.gz OFUQJAZTWZWHLQ-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]1NCCN(C(=O)C=C2CC[NH2+]CC2)[C@@H]1C ZINC000852878093 588710446 /nfs/dbraw/zinc/71/04/46/588710446.db2.gz HSZUUIMIZSXEMK-GHMZBOCLSA-N 1 3 237.347 0.505 20 0 BCADHO CN1CCCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852876375 588710526 /nfs/dbraw/zinc/71/05/26/588710526.db2.gz ZPNYCMMKWLSDKF-UHFFFAOYSA-N 1 3 237.347 0.460 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@@H]1CCCN1C ZINC000861565082 589168424 /nfs/dbraw/zinc/16/84/24/589168424.db2.gz FJWUICPETYPSJE-UWVGGRQHSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)NCCN(C)C1CC1 ZINC000861575819 589169040 /nfs/dbraw/zinc/16/90/40/589169040.db2.gz RNUHDMOFSVQDGS-SECBINFHSA-N 1 3 228.340 0.069 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000863541664 589297288 /nfs/dbraw/zinc/29/72/88/589297288.db2.gz LITSGEJDVHVGET-WOPDTQHZSA-N 1 3 238.331 0.965 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000863541664 589297289 /nfs/dbraw/zinc/29/72/89/589297289.db2.gz LITSGEJDVHVGET-WOPDTQHZSA-N 1 3 238.331 0.965 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000863541662 589297436 /nfs/dbraw/zinc/29/74/36/589297436.db2.gz LITSGEJDVHVGET-SDDRHHMPSA-N 1 3 238.331 0.965 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000863541662 589297438 /nfs/dbraw/zinc/29/74/38/589297438.db2.gz LITSGEJDVHVGET-SDDRHHMPSA-N 1 3 238.331 0.965 20 0 BCADHO C[NH2+]CCOCCN[C@H]1CCCc2n[nH]cc21 ZINC000863544506 589298157 /nfs/dbraw/zinc/29/81/57/589298157.db2.gz WDWMGJYOKVQYMX-NSHDSACASA-N 1 3 238.335 0.613 20 0 BCADHO CC[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)N(C)C ZINC000863584808 589301528 /nfs/dbraw/zinc/30/15/28/589301528.db2.gz DWEWQYGYQMAUIB-BDAKNGLRSA-N 1 3 249.305 0.440 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N(C)C ZINC000863585258 589302161 /nfs/dbraw/zinc/30/21/61/589302161.db2.gz SYQZKDDWJJLZHQ-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]([NH3+])CN(C)Cc1nc2c(s1)CNCC2 ZINC000863651183 589307106 /nfs/dbraw/zinc/30/71/06/589307106.db2.gz CKSSVQNYSNWOBY-QMMMGPOBSA-N 1 3 240.376 0.568 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)NCCC1CC1 ZINC000864455000 589366685 /nfs/dbraw/zinc/36/66/85/589366685.db2.gz CMFLVBZDGQJZAE-UHFFFAOYSA-N 1 3 247.346 0.829 20 0 BCADHO CC1(C)CCNCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC000866697827 589512538 /nfs/dbraw/zinc/51/25/38/589512538.db2.gz ZKQITLRKIFGMEG-LLVKDONJSA-N 1 3 249.362 0.839 20 0 BCADHO CC1(C)CCNCC[N@H+]1C[C@H]1CCc2ncnn21 ZINC000866697827 589512539 /nfs/dbraw/zinc/51/25/39/589512539.db2.gz ZKQITLRKIFGMEG-LLVKDONJSA-N 1 3 249.362 0.839 20 0 BCADHO [NH3+]CCCCCCCN1CC[C@@H](O)[C@@H](O)C1 ZINC000866704392 589513291 /nfs/dbraw/zinc/51/32/91/589513291.db2.gz SYYMFMHJQQGDDO-NEPJUHHUSA-N 1 3 230.352 0.323 20 0 BCADHO [NH3+]CCCN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000866704878 589514513 /nfs/dbraw/zinc/51/45/13/589514513.db2.gz ZPEYYSIGUHWSMU-ZDUSSCGKSA-N 1 3 242.363 0.995 20 0 BCADHO CCNCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868012440 589544265 /nfs/dbraw/zinc/54/42/65/589544265.db2.gz GGEAAXDJKXGXQS-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CCNCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000868049396 589546972 /nfs/dbraw/zinc/54/69/72/589546972.db2.gz WKFBNLBIVYIPKI-LLVKDONJSA-N 1 3 247.342 0.760 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000870892830 589695282 /nfs/dbraw/zinc/69/52/82/589695282.db2.gz NDMSVVJZWIYGER-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)N(C)C ZINC000870921118 589697045 /nfs/dbraw/zinc/69/70/45/589697045.db2.gz MPHFORDFMOQNCA-XSRFYTQQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000870928965 589697560 /nfs/dbraw/zinc/69/75/60/589697560.db2.gz NICAIGMHNQUEJZ-OPRDCNLKSA-N 1 3 225.336 0.465 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970824 589703046 /nfs/dbraw/zinc/70/30/46/589703046.db2.gz LJNDTMSRZVPTSV-MGCOHNPYSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970432 589703097 /nfs/dbraw/zinc/70/30/97/589703097.db2.gz VJDAZHPAXDQWQO-MGCOHNPYSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981487 589703150 /nfs/dbraw/zinc/70/31/50/589703150.db2.gz IXTCKXWOFKATSV-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981487 589703152 /nfs/dbraw/zinc/70/31/52/589703152.db2.gz IXTCKXWOFKATSV-VWYCJHECSA-N 1 3 225.336 0.276 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000870983627 589705297 /nfs/dbraw/zinc/70/52/97/589705297.db2.gz WYNDQZZZEHZDEV-ZJUUUORDSA-N 1 3 225.336 0.276 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000870983627 589705299 /nfs/dbraw/zinc/70/52/99/589705299.db2.gz WYNDQZZZEHZDEV-ZJUUUORDSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)N(C)C ZINC000870986061 589706270 /nfs/dbraw/zinc/70/62/70/589706270.db2.gz DEOMRNFEXFBXRT-JQWIXIFHSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988349 589706940 /nfs/dbraw/zinc/70/69/40/589706940.db2.gz NHQBHJLVNICZML-JQWIXIFHSA-N 1 3 241.379 0.864 20 0 BCADHO COCCN(C)C(=[NH2+])NC[C@H](C)CN(C)C ZINC000871607064 589775532 /nfs/dbraw/zinc/77/55/32/589775532.db2.gz WHDVCXLWHVWJLO-JTQLQIEISA-N 1 3 230.356 0.287 20 0 BCADHO CN(CCOCC[NH3+])C[C@@H]1CC2(CCC2)CO1 ZINC000872145725 589884504 /nfs/dbraw/zinc/88/45/04/589884504.db2.gz WJBIQNQVVXDKQS-LBPRGKRZSA-N 1 3 242.363 0.853 20 0 BCADHO CS[C@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000872224334 589897530 /nfs/dbraw/zinc/89/75/30/589897530.db2.gz AKSVTGOCRGQFCZ-YUSALJHKSA-N 1 3 244.404 0.925 20 0 BCADHO CS[C@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872224334 589897533 /nfs/dbraw/zinc/89/75/33/589897533.db2.gz AKSVTGOCRGQFCZ-YUSALJHKSA-N 1 3 244.404 0.925 20 0 BCADHO CC(C)(N)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000873221452 589999527 /nfs/dbraw/zinc/99/95/27/589999527.db2.gz KNSZTZLDEWMHAH-VIFPVBQESA-N 1 3 200.326 0.817 20 0 BCADHO CC(C)(N)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000873221452 589999528 /nfs/dbraw/zinc/99/95/28/589999528.db2.gz KNSZTZLDEWMHAH-VIFPVBQESA-N 1 3 200.326 0.817 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232236 590003184 /nfs/dbraw/zinc/00/31/84/590003184.db2.gz NPOMWAWMNPHZDG-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)(O)CN1CC[C@H]([NH2+][C@H]2CCC[C@H]2N)C1 ZINC000873236286 590004344 /nfs/dbraw/zinc/00/43/44/590004344.db2.gz VIYMKUXBLJPBKG-TUAOUCFPSA-N 1 3 241.379 0.301 20 0 BCADHO C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)N(C)C ZINC000876736540 590234105 /nfs/dbraw/zinc/23/41/05/590234105.db2.gz VMJFAHGMXRFJNS-OPRDCNLKSA-N 1 3 231.315 0.000 20 0 BCADHO CN(CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC1 ZINC000876735304 590234242 /nfs/dbraw/zinc/23/42/42/590234242.db2.gz CZYYDBOKYANIHU-GHMZBOCLSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)N(C)C ZINC000876735525 590234256 /nfs/dbraw/zinc/23/42/56/590234256.db2.gz PCKXTTNMXPVDRL-UXFRKABBSA-N 1 3 239.363 0.609 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H](C)CN1 ZINC000876796798 590242744 /nfs/dbraw/zinc/24/27/44/590242744.db2.gz JDLLUUBAMZISJY-ZNSHCXBVSA-N 1 3 239.363 0.569 20 0 BCADHO C[C@H]1NCCN(C(=O)CC[NH2+]CC2CC2)[C@H]1C ZINC000876831260 590247804 /nfs/dbraw/zinc/24/78/04/590247804.db2.gz FCQFOPAIGDPKQR-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876831577 590247808 /nfs/dbraw/zinc/24/78/08/590247808.db2.gz HKAAWFWNKRBHID-ZRUFSTJUSA-N 1 3 243.326 0.143 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000876865175 590251437 /nfs/dbraw/zinc/25/14/37/590251437.db2.gz VAJCRGLXCFBIES-HTQZYQBOSA-N 1 3 235.278 0.098 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000876873112 590251748 /nfs/dbraw/zinc/25/17/48/590251748.db2.gz WCLUZVCPYNWQHA-NXEZZACHSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)CN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCN1 ZINC000876871273 590251780 /nfs/dbraw/zinc/25/17/80/590251780.db2.gz IOVVHCRNQAHJNY-ZJUUUORDSA-N 1 3 243.326 0.144 20 0 BCADHO CC1(C)CN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCN1 ZINC000876871271 590252051 /nfs/dbraw/zinc/25/20/51/590252051.db2.gz IOVVHCRNQAHJNY-UWVGGRQHSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](CN)c1ccccc1 ZINC000877095808 590281883 /nfs/dbraw/zinc/28/18/83/590281883.db2.gz RWUSFIGZQMMEKH-ZYHUDNBSSA-N 1 3 235.331 0.535 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)C1(N)CCCCC1 ZINC000877095986 590282198 /nfs/dbraw/zinc/28/21/98/590282198.db2.gz WUNYKQHRSCAIAN-VIFPVBQESA-N 1 3 213.325 0.454 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)c1ccc2c(c1)CNC2 ZINC000877102480 590283707 /nfs/dbraw/zinc/28/37/07/590283707.db2.gz IUIVZPWKTHVSBK-VIFPVBQESA-N 1 3 233.315 0.709 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000877105352 590285030 /nfs/dbraw/zinc/28/50/30/590285030.db2.gz OJPXFDFXZRFBKG-MFKMUULPSA-N 1 3 247.342 0.679 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(CN)c1 ZINC000877109528 590286786 /nfs/dbraw/zinc/28/67/86/590286786.db2.gz NYDGBVMOSNADDJ-JOYOIKCWSA-N 1 3 233.315 0.626 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000877128604 590289982 /nfs/dbraw/zinc/28/99/82/590289982.db2.gz IEYVYGXFXDQPOA-ZYHUDNBSSA-N 1 3 243.326 0.418 20 0 BCADHO CCNCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877128099 590290064 /nfs/dbraw/zinc/29/00/64/590290064.db2.gz DDFYXKGLPSHMKZ-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153635 590293322 /nfs/dbraw/zinc/29/33/22/590293322.db2.gz XAYZZUQKZVVACL-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158191 590293863 /nfs/dbraw/zinc/29/38/63/590293863.db2.gz PICQIBZYKKLZRB-MNOVXSKESA-N 1 3 241.379 0.864 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877158769 590294154 /nfs/dbraw/zinc/29/41/54/590294154.db2.gz XAYZZUQKZVVACL-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@@]1(F)CCNC1 ZINC000877191889 590298837 /nfs/dbraw/zinc/29/88/37/590298837.db2.gz BOHPEEIPNCFANG-QEWOUOOISA-N 1 3 241.310 0.170 20 0 BCADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H](C)N)CC1 ZINC000877199896 590300791 /nfs/dbraw/zinc/30/07/91/590300791.db2.gz AHRZXUJYOMPBRP-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC1(C[NH3+])CCCCC1 ZINC000877205478 590301082 /nfs/dbraw/zinc/30/10/82/590301082.db2.gz JODDWDYGARLYON-JTQLQIEISA-N 1 3 239.363 0.905 20 0 BCADHO CCNCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877248934 590303553 /nfs/dbraw/zinc/30/35/53/590303553.db2.gz GJJSLFAKVADMHI-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CCNCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877248934 590303555 /nfs/dbraw/zinc/30/35/55/590303555.db2.gz GJJSLFAKVADMHI-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO C[C@H](NC(=O)[C@H]1CCCCN1)C1CC[NH2+]CC1 ZINC000877255008 590304193 /nfs/dbraw/zinc/30/41/93/590304193.db2.gz MIPGHIAZEJOFIE-CMPLNLGQSA-N 1 3 239.363 0.633 20 0 BCADHO CCNCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877259540 590304395 /nfs/dbraw/zinc/30/43/95/590304395.db2.gz GWXKIYWRULQLOM-CYBMUJFWSA-N 1 3 241.379 0.819 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)N(C)C ZINC000877274875 590305481 /nfs/dbraw/zinc/30/54/81/590305481.db2.gz YJFPZGDBBBMISM-IJLUTSLNSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)N(C)C ZINC000877274877 590305699 /nfs/dbraw/zinc/30/56/99/590305699.db2.gz YJFPZGDBBBMISM-QJPTWQEYSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)N(C)C ZINC000877274879 590306083 /nfs/dbraw/zinc/30/60/83/590306083.db2.gz YJFPZGDBBBMISM-UTUOFQBUSA-N 1 3 239.363 0.680 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282440 590306576 /nfs/dbraw/zinc/30/65/76/590306576.db2.gz LWJUKACJYUTIJD-MNOVXSKESA-N 1 3 223.320 0.091 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877284751 590306820 /nfs/dbraw/zinc/30/68/20/590306820.db2.gz VZKKAZGWQUVWQI-RYUDHWBXSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283407 590306838 /nfs/dbraw/zinc/30/68/38/590306838.db2.gz PFBNTBFCBQXQAY-OPRDCNLKSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283406 590306993 /nfs/dbraw/zinc/30/69/93/590306993.db2.gz PFBNTBFCBQXQAY-KXUCPTDWSA-N 1 3 211.309 0.077 20 0 BCADHO O=C(N1CCC[C@@H]2[NH2+]CC[C@H]21)[C@@]1(F)CCNC1 ZINC000877287114 590307135 /nfs/dbraw/zinc/30/71/35/590307135.db2.gz JEQJPNQXVSOPII-HOSYDEDBSA-N 1 3 241.310 0.041 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877339153 590317864 /nfs/dbraw/zinc/31/78/64/590317864.db2.gz SZNAXIYKAXTSGP-MFKMUULPSA-N 1 3 247.342 0.554 20 0 BCADHO CCN[C@H](C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387408 590321757 /nfs/dbraw/zinc/32/17/57/590321757.db2.gz YMUWRDZKKGQNBV-SCVCMEIPSA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390724 590322314 /nfs/dbraw/zinc/32/23/14/590322314.db2.gz LVNOLGBWUGXOLR-FXPVBKGRSA-N 1 3 211.309 0.125 20 0 BCADHO N[C@H](CC(F)F)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391083 590322375 /nfs/dbraw/zinc/32/23/75/590322375.db2.gz MLQBBYSAXATDDX-XLDPMVHQSA-N 1 3 247.289 0.370 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393444 590322471 /nfs/dbraw/zinc/32/24/71/590322471.db2.gz XUWBQPXYZCMKCV-DGCLKSJQSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401903 590324015 /nfs/dbraw/zinc/32/40/15/590324015.db2.gz RJSAQKGXSVDVFX-MNOVXSKESA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877401904 590324065 /nfs/dbraw/zinc/32/40/65/590324065.db2.gz RJSAQKGXSVDVFX-QWRGUYRKSA-N 1 3 239.363 0.762 20 0 BCADHO CNCC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877402190 590324089 /nfs/dbraw/zinc/32/40/89/590324089.db2.gz ZREWEIJIHLZQTO-LLVKDONJSA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877401902 590324343 /nfs/dbraw/zinc/32/43/43/590324343.db2.gz RJSAQKGXSVDVFX-GHMZBOCLSA-N 1 3 239.363 0.762 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451646 590330044 /nfs/dbraw/zinc/33/00/44/590330044.db2.gz SCFPMPMJMIAYBU-FHUSYTEZSA-N 1 3 249.358 0.147 20 0 BCADHO CCN(CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000877983715 590465881 /nfs/dbraw/zinc/46/58/81/590465881.db2.gz QUMBRIQSQWBYEY-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO COCC[N@H+](C[C@H](C)O)CC1CCN(C)CC1 ZINC000879126618 590695811 /nfs/dbraw/zinc/69/58/11/590695811.db2.gz LGUFEPHXJKUTHU-LBPRGKRZSA-N 1 3 244.379 0.657 20 0 BCADHO COCC[N@@H+](C[C@H](C)O)CC1CCN(C)CC1 ZINC000879126618 590695813 /nfs/dbraw/zinc/69/58/13/590695813.db2.gz LGUFEPHXJKUTHU-LBPRGKRZSA-N 1 3 244.379 0.657 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580010 590817022 /nfs/dbraw/zinc/81/70/22/590817022.db2.gz DCFGUYSDARTESU-TUAOUCFPSA-N 1 3 244.404 0.736 20 0 BCADHO CSC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580010 590817024 /nfs/dbraw/zinc/81/70/24/590817024.db2.gz DCFGUYSDARTESU-TUAOUCFPSA-N 1 3 244.404 0.736 20 0 BCADHO C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580812 590821259 /nfs/dbraw/zinc/82/12/59/590821259.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580812 590821263 /nfs/dbraw/zinc/82/12/63/590821263.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580812 590821267 /nfs/dbraw/zinc/82/12/67/590821267.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580812 590821270 /nfs/dbraw/zinc/82/12/70/590821270.db2.gz KXVRWLOXWRPWLM-SDDRHHMPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580813 590821669 /nfs/dbraw/zinc/82/16/69/590821669.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879580813 590821671 /nfs/dbraw/zinc/82/16/71/590821671.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580813 590821672 /nfs/dbraw/zinc/82/16/72/590821672.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580813 590821673 /nfs/dbraw/zinc/82/16/73/590821673.db2.gz KXVRWLOXWRPWLM-SRVKXCTJSA-N 1 3 212.337 0.641 20 0 BCADHO CNC(=O)CC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880472620 591053052 /nfs/dbraw/zinc/05/30/52/591053052.db2.gz VXSNFYGJHYJWNO-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CN1CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000129766766 591401842 /nfs/dbraw/zinc/40/18/42/591401842.db2.gz HIQBOFJOINKDTQ-LLVKDONJSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]C1(CNC[C@@H]2C[C@H](F)CN2)CCC1 ZINC000883425237 591658422 /nfs/dbraw/zinc/65/84/22/591658422.db2.gz PIPKBUOLAUBRLF-IUCAKERBSA-N 1 3 201.289 0.157 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883430073 591661577 /nfs/dbraw/zinc/66/15/77/591661577.db2.gz MQNXUJJOCGMWQV-DGORSVRFSA-N 1 3 229.343 0.663 20 0 BCADHO CC(=O)N1C[C@H]2CN(C[C@H]3CC[NH2+]C3)C[C@H]2C1 ZINC000883448533 591671030 /nfs/dbraw/zinc/67/10/30/591671030.db2.gz IECNZSFDFFJGIS-RWMBFGLXSA-N 1 3 237.347 0.006 20 0 BCADHO C[C@H]1CN(CCC[NH3+])CCN1c1ccncc1 ZINC000883447709 591671659 /nfs/dbraw/zinc/67/16/59/591671659.db2.gz JKDYIOQYCAKJNO-LBPRGKRZSA-N 1 3 234.347 0.941 20 0 BCADHO CC1(C)CN(CCOCC[NH3+])CCS1 ZINC000133355076 591787858 /nfs/dbraw/zinc/78/78/58/591787858.db2.gz QAIXYJURHKDQGH-UHFFFAOYSA-N 1 3 218.366 0.789 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000884024922 591805421 /nfs/dbraw/zinc/80/54/21/591805421.db2.gz HSLQCKLQYVGLGH-BXKDBHETSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)[C@H]1C[NH3+] ZINC000884034404 591816386 /nfs/dbraw/zinc/81/63/86/591816386.db2.gz DGUOMRYFKIJPLJ-USWWRNFRSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)CC1CC1 ZINC000884034410 591816584 /nfs/dbraw/zinc/81/65/84/591816584.db2.gz DNDVDZWCYLNGQJ-NXEZZACHSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884032786 591816712 /nfs/dbraw/zinc/81/67/12/591816712.db2.gz BQFJPRONMRNQMP-WDEREUQCSA-N 1 3 227.352 0.603 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)CCOC ZINC000884207363 591873440 /nfs/dbraw/zinc/87/34/40/591873440.db2.gz UHBOJMKXXVACTM-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)CCOC ZINC000884207363 591873443 /nfs/dbraw/zinc/87/34/43/591873443.db2.gz UHBOJMKXXVACTM-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000884244674 591881098 /nfs/dbraw/zinc/88/10/98/591881098.db2.gz JJQMNSWUDRYUCA-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](C)CN1 ZINC000884245124 591882003 /nfs/dbraw/zinc/88/20/03/591882003.db2.gz QHVQAMNTYOVZEB-MXWKQRLJSA-N 1 3 239.363 0.441 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884245532 591882286 /nfs/dbraw/zinc/88/22/86/591882286.db2.gz XNXHIFOTJYZLNF-INTQDDNPSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884245533 591882459 /nfs/dbraw/zinc/88/24/59/591882459.db2.gz XNXHIFOTJYZLNF-JMJZKYOTSA-N 1 3 225.336 0.310 20 0 BCADHO CC1(CNC(=O)[C@H](N)CC2CC2)CC[NH2+]CC1 ZINC000884246985 591883077 /nfs/dbraw/zinc/88/30/77/591883077.db2.gz FQNKDJOPAHVRLS-LLVKDONJSA-N 1 3 239.363 0.620 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CC1CC1 ZINC000884275766 591890655 /nfs/dbraw/zinc/89/06/55/591890655.db2.gz VFFRBUQYVFAJCS-SCZZXKLOSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884279558 591892356 /nfs/dbraw/zinc/89/23/56/591892356.db2.gz OEABTESGRLJNHZ-JQWIXIFHSA-N 1 3 225.336 0.311 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884286472 591893749 /nfs/dbraw/zinc/89/37/49/591893749.db2.gz FJKMDFWNUAVHNI-NWDGAFQWSA-N 1 3 239.363 0.844 20 0 BCADHO COCC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884287023 591895004 /nfs/dbraw/zinc/89/50/04/591895004.db2.gz QVXZRIPMQOXKGT-WDEREUQCSA-N 1 3 243.351 0.080 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000884300291 591898808 /nfs/dbraw/zinc/89/88/08/591898808.db2.gz UUOQTDMNTLEVPG-RYUDHWBXSA-N 1 3 239.363 0.762 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000884300289 591899184 /nfs/dbraw/zinc/89/91/84/591899184.db2.gz UUOQTDMNTLEVPG-NEPJUHHUSA-N 1 3 239.363 0.762 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000884300290 591899826 /nfs/dbraw/zinc/89/98/26/591899826.db2.gz UUOQTDMNTLEVPG-NWDGAFQWSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884338823 591905091 /nfs/dbraw/zinc/90/50/91/591905091.db2.gz TVIOBLNFMCXEIQ-ZJUUUORDSA-N 1 3 227.352 0.603 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)CC1CC1 ZINC000884339752 591906531 /nfs/dbraw/zinc/90/65/31/591906531.db2.gz WILWTONDRLCDNH-HGNGGELXSA-N 1 3 211.309 0.062 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000884348282 591909868 /nfs/dbraw/zinc/90/98/68/591909868.db2.gz SSJIFGQNSMUMDB-ZJUUUORDSA-N 1 3 239.363 0.890 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884358918 591912959 /nfs/dbraw/zinc/91/29/59/591912959.db2.gz ZZPPIGKDWGARHC-DJLDLDEBSA-N 1 3 225.336 0.226 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884365371 591917314 /nfs/dbraw/zinc/91/73/14/591917314.db2.gz IGYHZYKUEQTOBC-AEJSXWLSSA-N 1 3 225.336 0.356 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000884388387 591922270 /nfs/dbraw/zinc/92/22/70/591922270.db2.gz TXTWERXQHNUANT-LBPRGKRZSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H](N)CC1CC1 ZINC000884389914 591922812 /nfs/dbraw/zinc/92/28/12/591922812.db2.gz JCDYHIXQJBMVCM-MIMYLULJSA-N 1 3 225.336 0.452 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H](N)CC1CC1 ZINC000884389912 591923591 /nfs/dbraw/zinc/92/35/91/591923591.db2.gz JCDYHIXQJBMVCM-FBIMIBRVSA-N 1 3 225.336 0.452 20 0 BCADHO N[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)CC[C@H]1F ZINC000884419253 591928882 /nfs/dbraw/zinc/92/88/82/591928882.db2.gz LQNGWPYUWPKCOR-KXUCPTDWSA-N 1 3 229.299 0.012 20 0 BCADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000884418759 591929380 /nfs/dbraw/zinc/92/93/80/591929380.db2.gz VBFNQIOPNYDYEI-IVZWLZJFSA-N 1 3 243.326 0.130 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CC2CC2)C[NH2+]1 ZINC000884437836 591934322 /nfs/dbraw/zinc/93/43/22/591934322.db2.gz OBBVXIRHISNZEE-IEBDPFPHSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H](NC(=O)[C@H](N)CC1CC1)C1CC[NH2+]CC1 ZINC000884471800 591945009 /nfs/dbraw/zinc/94/50/09/591945009.db2.gz GQAQZRAUJFYXHT-BXKDBHETSA-N 1 3 239.363 0.618 20 0 BCADHO C([C@H]1C[C@@]12CCOC2)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000885961393 592115694 /nfs/dbraw/zinc/11/56/94/592115694.db2.gz XBFJAIXCPDUXNU-WUHRBBMRSA-N 1 3 222.332 0.564 20 0 BCADHO COC(=O)[C@@H]1CC[C@H](NCCC[NH+](C)C)C1 ZINC000886489616 592236081 /nfs/dbraw/zinc/23/60/81/592236081.db2.gz MXHCVPVALHDTFQ-MNOVXSKESA-N 1 3 228.336 0.869 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)CCOC ZINC000220014391 592273144 /nfs/dbraw/zinc/27/31/44/592273144.db2.gz ISUJIPAJTDJGDS-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)CCOC ZINC000220014391 592273146 /nfs/dbraw/zinc/27/31/46/592273146.db2.gz ISUJIPAJTDJGDS-LLVKDONJSA-N 1 3 245.367 0.198 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827134 592349943 /nfs/dbraw/zinc/34/99/43/592349943.db2.gz FHGVDZOGHXMAHV-UTUOFQBUSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886827134 592349946 /nfs/dbraw/zinc/34/99/46/592349946.db2.gz FHGVDZOGHXMAHV-UTUOFQBUSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827133 592350923 /nfs/dbraw/zinc/35/09/23/592350923.db2.gz FHGVDZOGHXMAHV-TUAOUCFPSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886827133 592350926 /nfs/dbraw/zinc/35/09/26/592350926.db2.gz FHGVDZOGHXMAHV-TUAOUCFPSA-N 1 3 210.321 0.836 20 0 BCADHO C([C@@H]1C[C@]12CCOC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000886838411 592359266 /nfs/dbraw/zinc/35/92/66/592359266.db2.gz XBFJAIXCPDUXNU-RNJOBUHISA-N 1 3 222.332 0.564 20 0 BCADHO [NH3+]CC12CC(C1)CN2C[C@H]1C[C@@]12CCOC2 ZINC000886841538 592362841 /nfs/dbraw/zinc/36/28/41/592362841.db2.gz OBWFBKCDSINXHG-QZQSVVMZSA-N 1 3 222.332 0.836 20 0 BCADHO [NH3+]C[C@H]1CCCN1C[C@H]1C[C@@]12CCOC2 ZINC000886881128 592380349 /nfs/dbraw/zinc/38/03/49/592380349.db2.gz RFUKDSNABFUXHK-IJLUTSLNSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@@H](CNC(=[NH2+])NCC(F)F)CN(C)C ZINC000887360716 592490490 /nfs/dbraw/zinc/49/04/90/592490490.db2.gz SWBTYSFOSKOEQW-ZETCQYMHSA-N 1 3 222.283 0.563 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925703948 634382434 /nfs/dbraw/zinc/38/24/34/634382434.db2.gz WMWXJFBXIFYCCR-UTINFBMNSA-N 1 3 223.320 0.110 20 0 BCADHO CN1CCC[C@H]1CN[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925716574 634449892 /nfs/dbraw/zinc/44/98/92/634449892.db2.gz AJUJMBSUYJVSBI-QJPTWQEYSA-N 1 3 223.364 0.940 20 0 BCADHO N[C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C1CCC1 ZINC000335638354 634504440 /nfs/dbraw/zinc/50/44/40/634504440.db2.gz KGHJXGZJWAVPED-AAEUAGOBSA-N 1 3 237.347 0.468 20 0 BCADHO [NH3+]Cc1cccc(C(=O)NCCN2CCCC2)c1 ZINC000054110914 635393495 /nfs/dbraw/zinc/39/34/95/635393495.db2.gz BOSHZTPBRMVXLZ-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO O[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000250883429 635504578 /nfs/dbraw/zinc/50/45/78/635504578.db2.gz VYKKFQFUNNOQQK-YNEHKIRRSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000250883429 635504584 /nfs/dbraw/zinc/50/45/84/635504584.db2.gz VYKKFQFUNNOQQK-YNEHKIRRSA-N 1 3 224.348 0.974 20 0 BCADHO CCC[C@H](O)CCN[C@@H](C)C1C[NH2+]C1 ZINC000925857589 635548668 /nfs/dbraw/zinc/54/86/68/635548668.db2.gz MOEIVUVNLVJHGF-ONGXEEELSA-N 1 3 200.326 0.735 20 0 BCADHO CCC[C@@H](O)CC[NH2+]C1CCNCC1 ZINC000925860104 635554524 /nfs/dbraw/zinc/55/45/24/635554524.db2.gz UZACXTQXULZWSO-LLVKDONJSA-N 1 3 200.326 0.879 20 0 BCADHO CCC[C@@H](O)CCNC1CC[NH2+]CC1 ZINC000925860104 635554526 /nfs/dbraw/zinc/55/45/26/635554526.db2.gz UZACXTQXULZWSO-LLVKDONJSA-N 1 3 200.326 0.879 20 0 BCADHO C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000308732325 631557182 /nfs/dbraw/zinc/55/71/82/631557182.db2.gz WIYWHRBQTFBKAV-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC1CC1)[NH+](C)C ZINC000308811967 631665367 /nfs/dbraw/zinc/66/53/67/631665367.db2.gz HMVYUZZIVAEUDO-PSASIEDQSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H](CC[NH+](C)C)Nc1ccncc1CO ZINC000892085122 631724840 /nfs/dbraw/zinc/72/48/40/631724840.db2.gz IEJYTVBVRGMSKJ-SNVBAGLBSA-N 1 3 223.320 0.748 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)CCOC ZINC000052810346 632497929 /nfs/dbraw/zinc/49/79/29/632497929.db2.gz SPIMLRHMGHQIPD-MNOVXSKESA-N 1 3 245.367 0.197 20 0 BCADHO C[C@H](CCNc1ccncc1CO)[NH+](C)C ZINC000894520526 635902822 /nfs/dbraw/zinc/90/28/22/635902822.db2.gz BEHMFNBWCIBSIE-SNVBAGLBSA-N 1 3 223.320 0.748 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@H]2COCO2)CC1(C)C ZINC000894891064 635999531 /nfs/dbraw/zinc/99/95/31/635999531.db2.gz XWBBJIXOWATRQS-MNOVXSKESA-N 1 3 228.336 0.822 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@H]2COCO2)CC1(C)C ZINC000894891064 635999535 /nfs/dbraw/zinc/99/95/35/635999535.db2.gz XWBBJIXOWATRQS-MNOVXSKESA-N 1 3 228.336 0.822 20 0 BCADHO NC1(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000334435426 636045181 /nfs/dbraw/zinc/04/51/81/636045181.db2.gz OSUPQHNQBMJJGU-LLVKDONJSA-N 1 3 223.320 0.080 20 0 BCADHO CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734588 634312326 /nfs/dbraw/zinc/31/23/26/634312326.db2.gz PYHLVKBDACWBHE-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CO[C@@H](C)[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792937 635325141 /nfs/dbraw/zinc/32/51/41/635325141.db2.gz XCKISMFDRQGOOS-ZNSHCXBVSA-N 1 3 200.326 0.855 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000054075650 635345476 /nfs/dbraw/zinc/34/54/76/635345476.db2.gz WGCQLCGSEGYCPY-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@H](O)CC[NH2+]C1CCNCC1 ZINC000925860105 635553681 /nfs/dbraw/zinc/55/36/81/635553681.db2.gz UZACXTQXULZWSO-NSHDSACASA-N 1 3 200.326 0.879 20 0 BCADHO CCC[C@H](O)CCNC1CC[NH2+]CC1 ZINC000925860105 635553687 /nfs/dbraw/zinc/55/36/87/635553687.db2.gz UZACXTQXULZWSO-NSHDSACASA-N 1 3 200.326 0.879 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C ZINC000928440027 635935672 /nfs/dbraw/zinc/93/56/72/635935672.db2.gz ZAHAJDMUYVZXPK-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C ZINC000928440027 635935675 /nfs/dbraw/zinc/93/56/75/635935675.db2.gz ZAHAJDMUYVZXPK-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)CN1 ZINC000870912408 636383101 /nfs/dbraw/zinc/38/31/01/636383101.db2.gz FWOBVXZMLSNFFR-WRWGMCAJSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C)CCN1C ZINC000925324243 636868724 /nfs/dbraw/zinc/86/87/24/636868724.db2.gz BNZLDTPEBXFYCQ-QWRGUYRKSA-N 1 3 242.367 0.282 20 0 BCADHO CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989796982 636881036 /nfs/dbraw/zinc/88/10/36/636881036.db2.gz UPXWBVNECDUPDL-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CON1CCC([NH2+]C[C@@H](C)CN(C)C)CC1 ZINC000323043463 636895099 /nfs/dbraw/zinc/89/50/99/636895099.db2.gz CUUHMNGFJFJCKF-LLVKDONJSA-N 1 3 229.368 0.800 20 0 BCADHO CCO[C@H](CN[C@H](C)[C@@H](C)OC)C[NH+](C)C ZINC000926966210 636975602 /nfs/dbraw/zinc/97/56/02/636975602.db2.gz WACPCKVVRTXECW-IJLUTSLNSA-N 1 3 232.368 0.966 20 0 BCADHO CCO[C@H](CN[C@@H](C)[C@@H](C)OC)C[NH+](C)C ZINC000926966211 636977796 /nfs/dbraw/zinc/97/77/96/636977796.db2.gz WACPCKVVRTXECW-QJPTWQEYSA-N 1 3 232.368 0.966 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000906091521 638047510 /nfs/dbraw/zinc/04/75/10/638047510.db2.gz IMEJNBYVFHPDPJ-GARJFASQSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000906092247 638050492 /nfs/dbraw/zinc/05/04/92/638050492.db2.gz WNMHTWXDLAOTFN-HBNTYKKESA-N 1 3 227.352 0.474 20 0 BCADHO CN1C[C@H]2[C@@H](CCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC000908350596 638661949 /nfs/dbraw/zinc/66/19/49/638661949.db2.gz ZRBIDHMRCYRRSK-RYUDHWBXSA-N 1 3 249.358 0.245 20 0 BCADHO C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000908364106 638669946 /nfs/dbraw/zinc/66/99/46/638669946.db2.gz WNWPTJGLINXSCR-ZDUSSCGKSA-N 1 3 248.330 0.506 20 0 BCADHO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000908364106 638669955 /nfs/dbraw/zinc/66/99/55/638669955.db2.gz WNWPTJGLINXSCR-ZDUSSCGKSA-N 1 3 248.330 0.506 20 0 BCADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC000908412756 638699877 /nfs/dbraw/zinc/69/98/77/638699877.db2.gz GPOACHBOPLUQFI-GXSJLCMTSA-N 1 3 236.319 0.503 20 0 BCADHO CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000910473485 639465003 /nfs/dbraw/zinc/46/50/03/639465003.db2.gz GEWJVJUEFJHEKT-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911619485 639683612 /nfs/dbraw/zinc/68/36/12/639683612.db2.gz IYONNGIUEHHUFW-MWLCHTKSSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911628279 639686818 /nfs/dbraw/zinc/68/68/18/639686818.db2.gz LMFKJGDGJIIKPZ-MWLCHTKSSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674992 639715886 /nfs/dbraw/zinc/71/58/86/639715886.db2.gz ZGGXQDVMQGWLSU-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708634 639759551 /nfs/dbraw/zinc/75/95/51/639759551.db2.gz XUIZCTWDTDSYOW-SDDRHHMPSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911707608 639760918 /nfs/dbraw/zinc/76/09/18/639760918.db2.gz NYPLADNZZQPHLR-SRVKXCTJSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H](O)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461392 639763492 /nfs/dbraw/zinc/76/34/92/639763492.db2.gz VXCOWRSEHALIJF-VKYHIEHISA-N 1 3 242.363 0.285 20 0 BCADHO C[C@@H](O)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461392 639763502 /nfs/dbraw/zinc/76/35/02/639763502.db2.gz VXCOWRSEHALIJF-VKYHIEHISA-N 1 3 242.363 0.285 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751563 639779761 /nfs/dbraw/zinc/77/97/61/639779761.db2.gz MDZLPPVWHWGADO-GARJFASQSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786356 639804002 /nfs/dbraw/zinc/80/40/02/639804002.db2.gz AIFZQRGEVSZBDF-VXGBXAGGSA-N 1 3 239.363 0.680 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911799013 639821298 /nfs/dbraw/zinc/82/12/98/639821298.db2.gz FLYZGTNJUHZUNE-MWLCHTKSSA-N 1 3 245.392 0.310 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911824976 639837841 /nfs/dbraw/zinc/83/78/41/639837841.db2.gz FIWOIUBCPCVFQD-GARJFASQSA-N 1 3 229.368 0.849 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911816564 639848615 /nfs/dbraw/zinc/84/86/15/639848615.db2.gz BVZZNIVBHRMSNA-QCNOEVLYSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911816565 639848971 /nfs/dbraw/zinc/84/89/71/639848971.db2.gz BVZZNIVBHRMSNA-USZNOCQGSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)C[C@@H]([NH3+])CC(=O)N1CCNCC1(C)C ZINC000911847157 639856441 /nfs/dbraw/zinc/85/64/41/639856441.db2.gz KRKNLVQEIFRTAZ-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](CO)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931441447 640208812 /nfs/dbraw/zinc/20/88/12/640208812.db2.gz IOXUHLZJUHVLOF-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO CC[C@H](CO)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931441447 640208817 /nfs/dbraw/zinc/20/88/17/640208817.db2.gz IOXUHLZJUHVLOF-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO [NH3+]CCCCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726752 640461169 /nfs/dbraw/zinc/46/11/69/640461169.db2.gz QAYUKVNNXZJMGM-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CO[C@@H](C)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732200 640754322 /nfs/dbraw/zinc/75/43/22/640754322.db2.gz MSIONPQQGXZBMB-SDDRHHMPSA-N 1 3 212.337 0.905 20 0 BCADHO CO[C@@H](C)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732200 640754325 /nfs/dbraw/zinc/75/43/25/640754325.db2.gz MSIONPQQGXZBMB-SDDRHHMPSA-N 1 3 212.337 0.905 20 0 BCADHO Cn1cc(CC[N@H+](C)CC(C)(C)CN)cn1 ZINC000226429247 640764319 /nfs/dbraw/zinc/76/43/19/640764319.db2.gz FECWVYYJSRDHRM-UHFFFAOYSA-N 1 3 224.352 0.879 20 0 BCADHO Cn1cc(CC[N@@H+](C)CC(C)(C)CN)cn1 ZINC000226429247 640764325 /nfs/dbraw/zinc/76/43/25/640764325.db2.gz FECWVYYJSRDHRM-UHFFFAOYSA-N 1 3 224.352 0.879 20 0 BCADHO C[C@]1(CO)CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000723032405 711496054 /nfs/dbraw/zinc/49/60/54/711496054.db2.gz LDFZTECUQOVUFR-QWHCGFSZSA-N 1 3 242.363 0.290 20 0 BCADHO C[C@]1(C(=O)NCCN2CCCC2)CCC[NH2+]C1 ZINC000062853732 641098697 /nfs/dbraw/zinc/09/86/97/641098697.db2.gz RZJMGAASUQBELO-ZDUSSCGKSA-N 1 3 239.363 0.588 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000040457909 641531381 /nfs/dbraw/zinc/53/13/81/641531381.db2.gz DMOMUOPPGDSVEP-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)COCCN1CC[C@@H](C[NH3+])C1 ZINC000158917127 641658394 /nfs/dbraw/zinc/65/83/94/641658394.db2.gz UKPRKDKDCJSWAR-NSHDSACASA-N 1 3 200.326 0.940 20 0 BCADHO [NH3+]CCC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000069730184 642411083 /nfs/dbraw/zinc/41/10/83/642411083.db2.gz CTRWKNCSVAMVOJ-VIFPVBQESA-N 1 3 240.269 0.970 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967926368 642805281 /nfs/dbraw/zinc/80/52/81/642805281.db2.gz UGIDXWDXBSHFLG-MNOVXSKESA-N 1 3 243.326 0.241 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968904350 642821623 /nfs/dbraw/zinc/82/16/23/642821623.db2.gz QBLKARMWQUJBRV-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H]1CN(C[C@H](O)COC)CC[C@H]1[NH3+] ZINC000251572149 642881545 /nfs/dbraw/zinc/88/15/45/642881545.db2.gz BXYXYMQGJFHTTF-OUAUKWLOSA-N 1 3 216.325 0.053 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018962915 643016753 /nfs/dbraw/zinc/01/67/53/643016753.db2.gz QBLKARMWQUJBRV-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C(C)C)C1)N(C)C ZINC001019394909 643031442 /nfs/dbraw/zinc/03/14/42/643031442.db2.gz QHENUCFPZYDOFO-RYUDHWBXSA-N 1 3 241.379 0.926 20 0 BCADHO CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020589952 643223419 /nfs/dbraw/zinc/22/34/19/643223419.db2.gz IMWYFKIDEAGHCO-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO COCCCN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000082560886 643342648 /nfs/dbraw/zinc/34/26/48/643342648.db2.gz VXVPXAVBBWQPRK-MNOVXSKESA-N 1 3 200.326 0.810 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCF)C2)C1 ZINC000970712033 643509425 /nfs/dbraw/zinc/50/94/25/643509425.db2.gz KGBXZQXTUFDMOM-GHMZBOCLSA-N 1 3 243.326 0.098 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCF)C2)C1 ZINC000970712033 643509429 /nfs/dbraw/zinc/50/94/29/643509429.db2.gz KGBXZQXTUFDMOM-GHMZBOCLSA-N 1 3 243.326 0.098 20 0 BCADHO CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998554581 643712546 /nfs/dbraw/zinc/71/25/46/643712546.db2.gz YYPNLTMOFCEKAS-HTAVTVPLSA-N 1 3 239.363 0.680 20 0 BCADHO CC(=O)NCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000929313461 644075742 /nfs/dbraw/zinc/07/57/42/644075742.db2.gz YMCJWVXVKNQLLY-STQMWFEESA-N 1 3 239.363 0.444 20 0 BCADHO OC[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000923004474 644227137 /nfs/dbraw/zinc/22/71/37/644227137.db2.gz FDZIICJRLYUAJT-CYDGBPFRSA-N 1 3 224.348 0.974 20 0 BCADHO OC[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000923004474 644227141 /nfs/dbraw/zinc/22/71/41/644227141.db2.gz FDZIICJRLYUAJT-CYDGBPFRSA-N 1 3 224.348 0.974 20 0 BCADHO CSC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923279427 644310749 /nfs/dbraw/zinc/31/07/49/644310749.db2.gz AQKBPISKKGCBNM-NXEZZACHSA-N 1 3 218.366 0.381 20 0 BCADHO CC(C)COC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923279855 644311256 /nfs/dbraw/zinc/31/12/56/644311256.db2.gz DQVNKGZDFGDJSJ-STQMWFEESA-N 1 3 244.379 0.691 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000923279169 644311764 /nfs/dbraw/zinc/31/17/64/644311764.db2.gz GWWNIUQPNKRFBA-HBNTYKKESA-N 1 3 232.393 0.912 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000923279169 644311771 /nfs/dbraw/zinc/31/17/71/644311771.db2.gz GWWNIUQPNKRFBA-HBNTYKKESA-N 1 3 232.393 0.912 20 0 BCADHO CCOCC[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923279154 644312307 /nfs/dbraw/zinc/31/23/07/644312307.db2.gz GNOQKNNOHPDTHS-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CCOCC[C@@H](O)C[N@H+](C)C1CCNCC1 ZINC000923279154 644312309 /nfs/dbraw/zinc/31/23/09/644312309.db2.gz GNOQKNNOHPDTHS-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CCOCC[C@@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923279154 644312313 /nfs/dbraw/zinc/31/23/13/644312313.db2.gz GNOQKNNOHPDTHS-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000923279589 644312901 /nfs/dbraw/zinc/31/29/01/644312901.db2.gz QSPNWBTUZZMUJB-RWMBFGLXSA-N 1 3 244.379 0.976 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000923279589 644312904 /nfs/dbraw/zinc/31/29/04/644312904.db2.gz QSPNWBTUZZMUJB-RWMBFGLXSA-N 1 3 244.379 0.976 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923281783 644313971 /nfs/dbraw/zinc/31/39/71/644313971.db2.gz PPMAFFYJDWXUHF-NEPJUHHUSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)OCC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923281786 644316068 /nfs/dbraw/zinc/31/60/68/644316068.db2.gz PPMAFFYJDWXUHF-VXGBXAGGSA-N 1 3 230.352 0.443 20 0 BCADHO CSC[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000923287808 644321228 /nfs/dbraw/zinc/32/12/28/644321228.db2.gz GOSPJJPKHKBUIV-OUAUKWLOSA-N 1 3 232.393 0.770 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923288386 644324430 /nfs/dbraw/zinc/32/44/30/644324430.db2.gz JJBRQVLXUPZPDT-SRVKXCTJSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)OCC[C@H](O)CN(C)CCC[NH3+] ZINC000923290663 644325515 /nfs/dbraw/zinc/32/55/15/644325515.db2.gz IRZDOLJWHPGEJF-NSHDSACASA-N 1 3 218.341 0.443 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923295850 644331472 /nfs/dbraw/zinc/33/14/72/644331472.db2.gz IXMBYPQMININRO-NWDGAFQWSA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923295851 644333038 /nfs/dbraw/zinc/33/30/38/644333038.db2.gz IXMBYPQMININRO-RYUDHWBXSA-N 1 3 230.352 0.489 20 0 BCADHO CSC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923297072 644335207 /nfs/dbraw/zinc/33/52/07/644335207.db2.gz XNSPFLVHZVBNGB-UWVGGRQHSA-N 1 3 218.366 0.427 20 0 BCADHO CCCCOC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296527 644336236 /nfs/dbraw/zinc/33/62/36/644336236.db2.gz UTKVJRAIYIJQGU-QWHCGFSZSA-N 1 3 244.379 0.881 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN3CCCC[C@@H]3C2)C1 ZINC000923323491 644352292 /nfs/dbraw/zinc/35/22/92/644352292.db2.gz ZUIHCCIPXDDVNP-RNJOBUHISA-N 1 3 239.363 0.007 20 0 BCADHO CSC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000923333996 644354498 /nfs/dbraw/zinc/35/44/98/644354498.db2.gz FBOYKKGLOSSLFQ-MNOVXSKESA-N 1 3 232.393 0.784 20 0 BCADHO CCN(C[C@H](O)COC)[C@H]1CCC[NH2+]CC1 ZINC000923336549 644357028 /nfs/dbraw/zinc/35/70/28/644357028.db2.gz UPAGZVHYKBUJSU-RYUDHWBXSA-N 1 3 230.352 0.458 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923354251 644370473 /nfs/dbraw/zinc/37/04/73/644370473.db2.gz BAQUTOMSDNEPBH-OLZOCXBDSA-N 1 3 244.379 0.691 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1c(F)cccc1F ZINC000923352612 644370605 /nfs/dbraw/zinc/37/06/05/644370605.db2.gz YHXGCZUTYIYJIH-ZETCQYMHSA-N 1 3 229.274 0.901 20 0 BCADHO COc1ccccc1CCC[NH2+]C(CN)CN ZINC000923353831 644370688 /nfs/dbraw/zinc/37/06/88/644370688.db2.gz BYJGFGSDFKDILG-UHFFFAOYSA-N 1 3 237.347 0.503 20 0 BCADHO CC(C)c1cnc(CNC(CN)C[NH3+])o1 ZINC000923354522 644372193 /nfs/dbraw/zinc/37/21/93/644372193.db2.gz REKVJFPAUUQJKK-UHFFFAOYSA-N 1 3 212.297 0.174 20 0 BCADHO COC[C@@H](O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364223 644376384 /nfs/dbraw/zinc/37/63/84/644376384.db2.gz JXKLQNKVLCLTFP-RWMBFGLXSA-N 1 3 242.363 0.458 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923366956 644378426 /nfs/dbraw/zinc/37/84/26/644378426.db2.gz BNKXIHIDXDGJAL-MNOVXSKESA-N 1 3 232.368 0.735 20 0 BCADHO CC(C)COC[C@@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923368754 644381157 /nfs/dbraw/zinc/38/11/57/644381157.db2.gz SLZCTBIPPNPPSF-NWDGAFQWSA-N 1 3 246.395 0.983 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@H](c3cccnc3)C2)C1 ZINC000923384081 644396796 /nfs/dbraw/zinc/39/67/96/644396796.db2.gz RYWQORJSDXUQMI-XUXIUFHCSA-N 1 3 247.342 0.722 20 0 BCADHO C(C[NH2+]C1CC1)CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000923384783 644397212 /nfs/dbraw/zinc/39/72/12/644397212.db2.gz NBAGBPZDBAYFTA-OLZOCXBDSA-N 1 3 239.363 0.191 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000923392660 644409344 /nfs/dbraw/zinc/40/93/44/644409344.db2.gz KQEJUPRYHFFPDT-UTUOFQBUSA-N 1 3 230.352 0.586 20 0 BCADHO CCOCCOCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923423743 644418794 /nfs/dbraw/zinc/41/87/94/644418794.db2.gz YTZFUGTYIWAYMQ-GHMZBOCLSA-N 1 3 230.352 0.755 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(F)CC2)C1 ZINC000923424290 644419399 /nfs/dbraw/zinc/41/93/99/644419399.db2.gz QIEHCOSPOIVAOP-GUBZILKMSA-N 1 3 202.273 0.271 20 0 BCADHO CCOCCOCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923423748 644419646 /nfs/dbraw/zinc/41/96/46/644419646.db2.gz YTZFUGTYIWAYMQ-WDEREUQCSA-N 1 3 230.352 0.755 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000923432020 644425408 /nfs/dbraw/zinc/42/54/08/644425408.db2.gz ZSURKMWIXDHLGO-QWRGUYRKSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000923432020 644425411 /nfs/dbraw/zinc/42/54/11/644425411.db2.gz ZSURKMWIXDHLGO-QWRGUYRKSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)CC[C@@H](O)CN1CCNCC[NH2+]CC1 ZINC000923461526 644445222 /nfs/dbraw/zinc/44/52/22/644445222.db2.gz YFLWZZYJGHNXGR-CYBMUJFWSA-N 1 3 243.395 0.278 20 0 BCADHO COCCCCC[NH+]1CCNCCNCC1 ZINC000923461791 644446924 /nfs/dbraw/zinc/44/69/24/644446924.db2.gz WANBZLHQAURXAB-UHFFFAOYSA-N 1 3 229.368 0.298 20 0 BCADHO COCCCCCN1CCNCC[NH2+]CC1 ZINC000923461791 644446931 /nfs/dbraw/zinc/44/69/31/644446931.db2.gz WANBZLHQAURXAB-UHFFFAOYSA-N 1 3 229.368 0.298 20 0 BCADHO Cc1nc([C@H](C)N2CC[C@@H](CC[NH3+])C2)n[nH]1 ZINC000923480594 644460533 /nfs/dbraw/zinc/46/05/33/644460533.db2.gz JNYGTTAVJSGOBN-WCBMZHEXSA-N 1 3 223.324 0.845 20 0 BCADHO C[C@@H]1CN(Cc2ccnn2C)CC[C@@H]1C[NH3+] ZINC000923491438 644468340 /nfs/dbraw/zinc/46/83/40/644468340.db2.gz RWYPOZOWDSNGIU-GHMZBOCLSA-N 1 3 222.336 0.837 20 0 BCADHO C[C@@H]1CN(C[C@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000923507371 644476173 /nfs/dbraw/zinc/47/61/73/644476173.db2.gz BTFCQHUGECWZMX-KKOKHZNYSA-N 1 3 210.321 0.692 20 0 BCADHO C[C@@H]1C[N@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1CN ZINC000923515503 644480963 /nfs/dbraw/zinc/48/09/63/644480963.db2.gz XBXHDDWOULTSLG-LPWJVIDDSA-N 1 3 224.348 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@H]2C[C@]23CCOC3)C[C@H]1CN ZINC000923515503 644480969 /nfs/dbraw/zinc/48/09/69/644480969.db2.gz XBXHDDWOULTSLG-LPWJVIDDSA-N 1 3 224.348 0.940 20 0 BCADHO C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000923515324 644481101 /nfs/dbraw/zinc/48/11/01/644481101.db2.gz QMBRGXJYFHNQBJ-DDHJBXDOSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000923515324 644481111 /nfs/dbraw/zinc/48/11/11/644481111.db2.gz QMBRGXJYFHNQBJ-DDHJBXDOSA-N 1 3 212.337 0.938 20 0 BCADHO C([C@H]1CNCCO1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534811 644487037 /nfs/dbraw/zinc/48/70/37/644487037.db2.gz XWVQLDBLSYOYBE-CHWSQXEVSA-N 1 3 239.363 0.193 20 0 BCADHO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCN(C2CC2)C1 ZINC000089747481 644564154 /nfs/dbraw/zinc/56/41/54/644564154.db2.gz ZBYAEIIPXFZMDY-QWRGUYRKSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCOCCO ZINC000093514074 644694604 /nfs/dbraw/zinc/69/46/04/644694604.db2.gz VLRKYZKPGBKTLP-CHWSQXEVSA-N 1 3 244.379 0.896 20 0 BCADHO CCOC[C@H](O)CN1CCCC[C@H]1CC[NH3+] ZINC000250465312 644760153 /nfs/dbraw/zinc/76/01/53/644760153.db2.gz BEJWFVPVESHPKU-NWDGAFQWSA-N 1 3 230.352 0.587 20 0 BCADHO CC(C)NC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252668106 644875463 /nfs/dbraw/zinc/87/54/63/644875463.db2.gz RSNXHFVXUAIZOL-WDEREUQCSA-N 1 3 240.351 0.372 20 0 BCADHO CCOC[C@@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000252684567 644878788 /nfs/dbraw/zinc/87/87/88/644878788.db2.gz GPMVTTRRCKMRML-RYUDHWBXSA-N 1 3 232.368 0.689 20 0 BCADHO COC[C@@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000252691864 644880630 /nfs/dbraw/zinc/88/06/30/644880630.db2.gz ZGFRSMCEMZGGEI-QWRGUYRKSA-N 1 3 218.341 0.299 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@@H](N)CC1CC1 ZINC000304305650 644889245 /nfs/dbraw/zinc/88/92/45/644889245.db2.gz BXIVRLMLGRBAIS-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304414948 644905318 /nfs/dbraw/zinc/90/53/18/644905318.db2.gz YTWDGVGTCLHRAG-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000304414948 644905323 /nfs/dbraw/zinc/90/53/23/644905323.db2.gz YTWDGVGTCLHRAG-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000304414948 644905326 /nfs/dbraw/zinc/90/53/26/644905326.db2.gz YTWDGVGTCLHRAG-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844188676 645317037 /nfs/dbraw/zinc/31/70/37/645317037.db2.gz XSSSXSMPTLDNSP-PWSUYJOCSA-N 1 3 243.326 0.146 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1CC(O)C1 ZINC000926768869 645414545 /nfs/dbraw/zinc/41/45/45/645414545.db2.gz FGIUZEPBBXSZNC-FMNWTUGISA-N 1 3 224.348 0.687 20 0 BCADHO CCO[C@H](CN[C@@H]1COC[C@@H]1CC)C[NH+](C)C ZINC000926957639 645500481 /nfs/dbraw/zinc/50/04/81/645500481.db2.gz BSMDCLUFRIOFET-YNEHKIRRSA-N 1 3 244.379 0.968 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C ZINC000928428233 645744482 /nfs/dbraw/zinc/74/44/82/645744482.db2.gz VUVVBODZGLHZGS-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO CCOCCOCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929638317 646215267 /nfs/dbraw/zinc/21/52/67/646215267.db2.gz WSDUENPIENJZPO-ZDUSSCGKSA-N 1 3 244.379 0.923 20 0 BCADHO CCOCCOCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929638317 646215269 /nfs/dbraw/zinc/21/52/69/646215269.db2.gz WSDUENPIENJZPO-ZDUSSCGKSA-N 1 3 244.379 0.923 20 0 BCADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCOC2)CN1C1CC1 ZINC000925543598 646324375 /nfs/dbraw/zinc/32/43/75/646324375.db2.gz VNFLTJAEJNHVBV-WOPDTQHZSA-N 1 3 239.363 0.190 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCO[C@@H]1CCOC1 ZINC000925550558 646328685 /nfs/dbraw/zinc/32/86/85/646328685.db2.gz BNQPHIKWFMCYBY-XQQFMLRXSA-N 1 3 242.363 0.912 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925553480 646329170 /nfs/dbraw/zinc/32/91/70/646329170.db2.gz SLKNMBNEYVNIBL-NQBHXWOUSA-N 1 3 239.363 0.047 20 0 BCADHO C[C@@H]1NCCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000925555726 646331219 /nfs/dbraw/zinc/33/12/19/646331219.db2.gz ITHDAOYJGCGADS-QWRGUYRKSA-N 1 3 235.335 0.619 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925570406 646339356 /nfs/dbraw/zinc/33/93/56/646339356.db2.gz ADEVGDZCNVYIPO-UTLUCORTSA-N 1 3 227.352 0.746 20 0 BCADHO CCN1CCCC[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925574505 646341346 /nfs/dbraw/zinc/34/13/46/646341346.db2.gz RKKJXNIOCPCPEN-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609740 646360932 /nfs/dbraw/zinc/36/09/32/646360932.db2.gz CZUCTKDCFZEYDY-VLEAKVRGSA-N 1 3 212.337 0.733 20 0 BCADHO C[C@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925609740 646360936 /nfs/dbraw/zinc/36/09/36/646360936.db2.gz CZUCTKDCFZEYDY-VLEAKVRGSA-N 1 3 212.337 0.733 20 0 BCADHO C[C@@H](CN[C@H]1C[NH2+]CCOC1)N1CCCCC1 ZINC000925613872 646362254 /nfs/dbraw/zinc/36/22/54/646362254.db2.gz UFXXNAYYLHYWOQ-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO N[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925689891 646416804 /nfs/dbraw/zinc/41/68/04/646416804.db2.gz DBWQEAADGDWGEZ-CHWFTXMASA-N 1 3 210.321 0.759 20 0 BCADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CNCCC2(F)F)C12CCC2 ZINC000925703089 646426369 /nfs/dbraw/zinc/42/63/69/646426369.db2.gz BYNMVWDQHQXHNR-BBBLOLIVSA-N 1 3 245.317 0.843 20 0 BCADHO [NH3+][C@@H]1C[C@@H](N[C@@H]2CNCCC2(F)F)C12CCC2 ZINC000925703091 646427448 /nfs/dbraw/zinc/42/74/48/646427448.db2.gz BYNMVWDQHQXHNR-OPRDCNLKSA-N 1 3 245.317 0.843 20 0 BCADHO CCC1([NH3+])CCN([C@@H](C)CC(N)=O)CC1 ZINC000925759000 646466482 /nfs/dbraw/zinc/46/64/82/646466482.db2.gz JVWZEQRCXFDBLU-VIFPVBQESA-N 1 3 213.325 0.454 20 0 BCADHO OC[C@H](C[C@@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000925768474 646467884 /nfs/dbraw/zinc/46/78/84/646467884.db2.gz VLJFRLLUQUBNBU-RYUDHWBXSA-N 1 3 228.336 0.258 20 0 BCADHO OC[C@H](C[C@@H]1CCCO1)[NH2+]C1CCNCC1 ZINC000925768474 646467887 /nfs/dbraw/zinc/46/78/87/646467887.db2.gz VLJFRLLUQUBNBU-RYUDHWBXSA-N 1 3 228.336 0.258 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925771199 646471607 /nfs/dbraw/zinc/47/16/07/646471607.db2.gz NAJDLRIAPUBEAI-JBLDHEPKSA-N 1 3 239.363 0.713 20 0 BCADHO [NH3+]CCC[C@H](N[C@@H]1CNOC1)c1ccccc1 ZINC000925860780 646515030 /nfs/dbraw/zinc/51/50/30/646515030.db2.gz UQSQFCYRDIGAJA-OLZOCXBDSA-N 1 3 235.331 0.960 20 0 BCADHO CCOCCOCCN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925875195 646525406 /nfs/dbraw/zinc/52/54/06/646525406.db2.gz QITXVXDDIRMGIZ-NWDGAFQWSA-N 1 3 230.352 0.627 20 0 BCADHO C[C@H](CCCO)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396570605 711701832 /nfs/dbraw/zinc/70/18/32/711701832.db2.gz LCUZFPABGBVVPJ-MXWKQRLJSA-N 1 3 200.326 0.878 20 0 BCADHO CCOC[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229085445 711837521 /nfs/dbraw/zinc/83/75/21/711837521.db2.gz ZGXHTAFNRKJBLS-GRYCIOLGSA-N 1 3 230.352 0.301 20 0 BCADHO COC[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000397929314 711872189 /nfs/dbraw/zinc/87/21/89/711872189.db2.gz AXKRSKDAWBAKHN-ADEWGFFLSA-N 1 3 212.337 0.857 20 0 BCADHO CCOC[C@H](O)CN1CCCC[C@@H]1CC[NH3+] ZINC000069720975 711893501 /nfs/dbraw/zinc/89/35/01/711893501.db2.gz BEJWFVPVESHPKU-VXGBXAGGSA-N 1 3 230.352 0.587 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000709039207 712205796 /nfs/dbraw/zinc/20/57/96/712205796.db2.gz ZQHDGWCUTPNDES-NWDGAFQWSA-N 1 3 230.352 0.587 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000709039207 712205797 /nfs/dbraw/zinc/20/57/97/712205797.db2.gz ZQHDGWCUTPNDES-NWDGAFQWSA-N 1 3 230.352 0.587 20 0 BCADHO COc1ccc(CNC(CN)C[NH3+])cc1 ZINC000710086207 712244726 /nfs/dbraw/zinc/24/47/26/712244726.db2.gz SYDDPMZYQYZREG-UHFFFAOYSA-N 1 3 209.293 0.071 20 0 BCADHO CN(CCCCCC[NH3+])[C@H]1CCNC1=O ZINC000710805086 712257134 /nfs/dbraw/zinc/25/71/34/712257134.db2.gz QBSDYTIEOUUGPK-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710871627 712260868 /nfs/dbraw/zinc/26/08/68/712260868.db2.gz UYDDPGNVGBUFLM-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CCOCC(C)(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000379159183 712370091 /nfs/dbraw/zinc/37/00/91/712370091.db2.gz JEOLHAQMRNYETR-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCN(C)C(C)(C)CC1 ZINC000712674542 712440507 /nfs/dbraw/zinc/44/05/07/712440507.db2.gz UYVJRSCMEZJDLK-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000712537210 712442576 /nfs/dbraw/zinc/44/25/76/712442576.db2.gz YQWQTOIYSMCXAL-SNVBAGLBSA-N 1 3 216.325 0.068 20 0 BCADHO COC[C@H](O)C[N@H+]1CCNCCC1(C)C ZINC000712537210 712442578 /nfs/dbraw/zinc/44/25/78/712442578.db2.gz YQWQTOIYSMCXAL-SNVBAGLBSA-N 1 3 216.325 0.068 20 0 BCADHO COC[C@@H](C[N@@H+]1CCNCCC12CCC2)OC ZINC000713125514 712453460 /nfs/dbraw/zinc/45/34/60/712453460.db2.gz OKGXAPZTLFJXEP-GFCCVEGCSA-N 1 3 242.363 0.866 20 0 BCADHO COC[C@@H](C[N@H+]1CCNCCC12CCC2)OC ZINC000713125514 712453461 /nfs/dbraw/zinc/45/34/61/712453461.db2.gz OKGXAPZTLFJXEP-GFCCVEGCSA-N 1 3 242.363 0.866 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037484146 712650788 /nfs/dbraw/zinc/65/07/88/712650788.db2.gz ZPNTVKWFQUGPAH-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037484146 712650790 /nfs/dbraw/zinc/65/07/90/712650790.db2.gz ZPNTVKWFQUGPAH-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](NC[C@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605469 712662322 /nfs/dbraw/zinc/66/23/22/712662322.db2.gz AQCPGPSKSIOGEK-GXSJLCMTSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1)CN(C)C ZINC000380093653 712685545 /nfs/dbraw/zinc/68/55/45/712685545.db2.gz VMXMZWFUUZZCKZ-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718408036 712759681 /nfs/dbraw/zinc/75/96/81/712759681.db2.gz WRWFBIZWNVIONX-VGRIYTJTSA-N 1 3 225.336 0.357 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029443 712800518 /nfs/dbraw/zinc/80/05/18/712800518.db2.gz BEWRVKXGJMWVEC-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@H](C)N1CCCCC1 ZINC000038029443 712800519 /nfs/dbraw/zinc/80/05/19/712800519.db2.gz BEWRVKXGJMWVEC-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1[C@@H](NC[C@@H](O)C[NH+]2CCCC2)CCN1C ZINC000719640695 712818601 /nfs/dbraw/zinc/81/86/01/712818601.db2.gz KYFVFYGXQDJKKD-UPJWGTAASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@@H](C)CC1 ZINC000719783307 712824935 /nfs/dbraw/zinc/82/49/35/712824935.db2.gz SFYHMQSXVGZNRL-WOPDTQHZSA-N 1 3 212.337 0.953 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720904074 712875722 /nfs/dbraw/zinc/87/57/22/712875722.db2.gz WGWKBLQNRYCSSF-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720896771 712876673 /nfs/dbraw/zinc/87/66/73/712876673.db2.gz DNYZAMFRMPHSFK-WOPDTQHZSA-N 1 3 239.363 0.680 20 0 BCADHO NCC(C[NH3+])NCc1c(F)cccc1F ZINC000381579205 710656642 /nfs/dbraw/zinc/65/66/42/710656642.db2.gz ZNFOPLDIXJKBIT-UHFFFAOYSA-N 1 3 215.247 0.340 20 0 BCADHO CC[C@@]1(NC[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125730 710977318 /nfs/dbraw/zinc/97/73/18/710977318.db2.gz ULBUEWMYUSRYEA-QWHCGFSZSA-N 1 3 242.363 0.602 20 0 BCADHO COCC(COC)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000384910207 710999603 /nfs/dbraw/zinc/99/96/03/710999603.db2.gz DEEOMFLBUPLJHR-NXEZZACHSA-N 1 3 216.325 0.317 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000389638139 711084288 /nfs/dbraw/zinc/08/42/88/711084288.db2.gz KCDUZFHDMPSXEV-JQWIXIFHSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)CN(C)C ZINC000390299738 711111926 /nfs/dbraw/zinc/11/19/26/711111926.db2.gz CBAATHGAYAVCPX-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C(N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1CCOCC1 ZINC000392787917 711151364 /nfs/dbraw/zinc/15/13/64/711151364.db2.gz BIFGFYJJPZYMQH-YHQUGGNUSA-N 1 3 236.359 0.999 20 0 BCADHO Cc1cc(NCC2=CC[N@H+](C)CC2)nc(N)n1 ZINC000392820969 711152284 /nfs/dbraw/zinc/15/22/84/711152284.db2.gz QGKIECXHDSAABH-UHFFFAOYSA-N 1 3 233.319 0.293 20 0 BCADHO Cc1cc(NCC2=CC[N@@H+](C)CC2)nc(N)n1 ZINC000392820969 711152287 /nfs/dbraw/zinc/15/22/87/711152287.db2.gz QGKIECXHDSAABH-UHFFFAOYSA-N 1 3 233.319 0.293 20 0 BCADHO COCC(COC)N1CC[C@@](C)(C[NH3+])C1 ZINC000395384836 711209961 /nfs/dbraw/zinc/20/99/61/711209961.db2.gz MQSDBWXYQXMQPS-NSHDSACASA-N 1 3 216.325 0.319 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[C@H](O)C1 ZINC000396575728 711355554 /nfs/dbraw/zinc/35/55/54/711355554.db2.gz CGVXGBGBNDYMMC-USZNOCQGSA-N 1 3 212.337 0.878 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000381257994 710613805 /nfs/dbraw/zinc/61/38/05/710613805.db2.gz QTXMCKCHXJCDBQ-GHMZBOCLSA-N 1 3 230.352 0.362 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000381257994 710613807 /nfs/dbraw/zinc/61/38/07/710613807.db2.gz QTXMCKCHXJCDBQ-GHMZBOCLSA-N 1 3 230.352 0.362 20 0 BCADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724564294 710742416 /nfs/dbraw/zinc/74/24/16/710742416.db2.gz VJNFHTDFTRRXRT-BJDJZHNGSA-N 1 3 226.320 0.071 20 0 BCADHO CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001045205527 710836634 /nfs/dbraw/zinc/83/66/34/710836634.db2.gz NVSIYUTWJQPKHC-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO COCC(COC)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000384976798 711000958 /nfs/dbraw/zinc/00/09/58/711000958.db2.gz QCWLCBGKIFNSOW-WDEREUQCSA-N 1 3 228.336 0.189 20 0 BCADHO COCCOCCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000396675442 711362493 /nfs/dbraw/zinc/36/24/93/711362493.db2.gz SQCGAVCLFMYBJR-NEPJUHHUSA-N 1 3 230.352 0.770 20 0 BCADHO C[C@H]1NCCC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000396732478 711368832 /nfs/dbraw/zinc/36/88/32/711368832.db2.gz YAUQJBQYSOKDPV-NEPJUHHUSA-N 1 3 243.420 0.765 20 0 BCADHO CO[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397661656 711387558 /nfs/dbraw/zinc/38/75/58/711387558.db2.gz DESIQRQHTPWRAH-RYUDHWBXSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@]1(CO)CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000723032403 711496420 /nfs/dbraw/zinc/49/64/20/711496420.db2.gz LDFZTECUQOVUFR-CHWSQXEVSA-N 1 3 242.363 0.290 20 0 BCADHO CCNC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133081367 711558651 /nfs/dbraw/zinc/55/86/51/711558651.db2.gz DKQZCWUTVYWOEY-NXEZZACHSA-N 1 3 213.325 0.039 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724562481 711592585 /nfs/dbraw/zinc/59/25/85/711592585.db2.gz GYAKILAVYQDLAT-QNWHQSFQSA-N 1 3 240.347 0.461 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724586997 711595769 /nfs/dbraw/zinc/59/57/69/711595769.db2.gz RLVOULOZRLTGRY-IIRVCBMXSA-N 1 3 240.347 0.506 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724586997 711595773 /nfs/dbraw/zinc/59/57/73/711595773.db2.gz RLVOULOZRLTGRY-IIRVCBMXSA-N 1 3 240.347 0.506 20 0 BCADHO CC[C@H](CN1CCOCC1)N[C@@H](C)C[C@H](C)[NH3+] ZINC000925819373 711755773 /nfs/dbraw/zinc/75/57/73/711755773.db2.gz AZZNTYNQSXUVSO-RWMBFGLXSA-N 1 3 243.395 0.813 20 0 BCADHO CCCCCCN(C)CC(=O)NCC[NH2+]C ZINC000151225104 711821391 /nfs/dbraw/zinc/82/13/91/711821391.db2.gz TXDLNXKSFHXAQA-UHFFFAOYSA-N 1 3 229.368 0.834 20 0 BCADHO COC[C@@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227735936 711832676 /nfs/dbraw/zinc/83/26/76/711832676.db2.gz ZGFRSMCEMZGGEI-WDEREUQCSA-N 1 3 218.341 0.299 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)CC[N@@H+]1C ZINC000382509501 711919282 /nfs/dbraw/zinc/91/92/82/711919282.db2.gz XNUOOYHIHAKRRA-ADEWGFFLSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H](N)CC2CC2)CC[N@H+]1C ZINC000382509501 711919284 /nfs/dbraw/zinc/91/92/84/711919284.db2.gz XNUOOYHIHAKRRA-ADEWGFFLSA-N 1 3 239.363 0.713 20 0 BCADHO CSCC[C@@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131863581 711949544 /nfs/dbraw/zinc/94/95/44/711949544.db2.gz CVMQUVZGLISJAB-LPEHRKFASA-N 1 3 245.392 0.276 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@@H]1CCOC1)C2 ZINC000702097505 712039142 /nfs/dbraw/zinc/03/91/42/712039142.db2.gz NWROSCDBXGFYKK-FRRDWIJNSA-N 1 3 224.348 0.954 20 0 BCADHO COCCCCN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125672 712039611 /nfs/dbraw/zinc/03/96/11/712039611.db2.gz OOPAXKUSPINNQV-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO N[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCSC2)C12CCC2 ZINC000702273601 712043998 /nfs/dbraw/zinc/04/39/98/712043998.db2.gz UYDKYHQQVQNLDA-VWYCJHECSA-N 1 3 242.388 0.714 20 0 BCADHO CN1CC[C@](O)(CNC(=[NH2+])Nc2ccccc2)C1 ZINC000702591443 712056533 /nfs/dbraw/zinc/05/65/33/712056533.db2.gz NQVPMQUDUIQANU-ZDUSSCGKSA-N 1 3 248.330 0.689 20 0 BCADHO CC(C)OC[C@H](O)CN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708893255 712202509 /nfs/dbraw/zinc/20/25/09/712202509.db2.gz JNNKIZSLIPNYKR-QJPTWQEYSA-N 1 3 230.352 0.299 20 0 BCADHO CN1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000709408062 712221452 /nfs/dbraw/zinc/22/14/52/712221452.db2.gz SAARUKWJNOCQIH-PSIUFMSWSA-N 1 3 209.337 0.563 20 0 BCADHO C[C@H](C(=O)N(C)C)N(C)CCCCCC[NH3+] ZINC000710751675 712256245 /nfs/dbraw/zinc/25/62/45/712256245.db2.gz VJDSALSMIZGAIN-LLVKDONJSA-N 1 3 229.368 0.914 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868842 712259887 /nfs/dbraw/zinc/25/98/87/712259887.db2.gz DPDJHYZWLALFHX-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CCOC1CC1)CCN1CC[NH2+]CC1 ZINC000711758553 712325624 /nfs/dbraw/zinc/32/56/24/712325624.db2.gz JQZNVHAVTMCIAX-UHFFFAOYSA-N 1 3 227.352 0.002 20 0 BCADHO CN(CC1CC1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923479747 712334414 /nfs/dbraw/zinc/33/44/14/712334414.db2.gz CNXPJRDPLBKRCN-LBPRGKRZSA-N 1 3 239.363 0.526 20 0 BCADHO CCN1CC[C@H]1C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000712577589 712432989 /nfs/dbraw/zinc/43/29/89/712432989.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@H]1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000712577589 712432991 /nfs/dbraw/zinc/43/29/91/712432991.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@H]1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000712577589 712432992 /nfs/dbraw/zinc/43/29/92/712432992.db2.gz GTYNJGOTMVJWCR-QWHCGFSZSA-N 1 3 241.379 0.125 20 0 BCADHO CO[C@H]1C[C@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000714729419 712496873 /nfs/dbraw/zinc/49/68/73/712496873.db2.gz GJXSTCCYDKYBBZ-WGSKYGEUSA-N 1 3 236.359 0.997 20 0 BCADHO COC[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715010026 712504047 /nfs/dbraw/zinc/50/40/47/712504047.db2.gz JWJJLOUAQSJYCH-UTUOFQBUSA-N 1 3 228.336 0.068 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036871871 712506503 /nfs/dbraw/zinc/50/65/03/712506503.db2.gz KLGUGGSCDWLMQO-JTQLQIEISA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000036999121 712528930 /nfs/dbraw/zinc/52/89/30/712528930.db2.gz YTODLUAVJVWCBK-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO Cc1cn[nH]c1CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000716454128 712562037 /nfs/dbraw/zinc/56/20/37/712562037.db2.gz VAYXMWBKZBVKIU-ZJUUUORDSA-N 1 3 208.309 0.934 20 0 BCADHO CC1(CN[C@H]2CCC[C@@H]([NH3+])C2)OCCO1 ZINC000716819653 712577060 /nfs/dbraw/zinc/57/70/60/712577060.db2.gz NUHVFPKZMZHNCL-ZJUUUORDSA-N 1 3 214.309 0.609 20 0 BCADHO COCC(COC)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000384891222 712704228 /nfs/dbraw/zinc/70/42/28/712704228.db2.gz YFGQFOJTPZQPNT-WDEREUQCSA-N 1 3 230.352 0.707 20 0 BCADHO C[C@@H]1[C@H]([NH2+]C[C@@H](O)CN(C)C2CC2)CCN1C ZINC000719634346 712814693 /nfs/dbraw/zinc/81/46/93/712814693.db2.gz BLGYUSGOPPUTFS-RAIGVLPGSA-N 1 3 241.379 0.124 20 0 BCADHO C[C@@H]1CCN(CCN2CC[NH2+]CC2)CCO1 ZINC000719776867 712823731 /nfs/dbraw/zinc/82/37/31/712823731.db2.gz DZQKHRSPJQBYAT-GFCCVEGCSA-N 1 3 227.352 0.002 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903787 712875169 /nfs/dbraw/zinc/87/51/69/712875169.db2.gz VVXRJURUSZHLFI-QJPTWQEYSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000720900111 712875179 /nfs/dbraw/zinc/87/51/79/712875179.db2.gz OTFKHKBOYUATMO-GMTAPVOTSA-N 1 3 223.320 0.043 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901463 712876117 /nfs/dbraw/zinc/87/61/17/712876117.db2.gz SALRTASNGGPNAT-KKOKHZNYSA-N 1 3 237.347 0.419 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CO)CC1 ZINC000721038816 712887482 /nfs/dbraw/zinc/88/74/82/712887482.db2.gz UVYHUUIVGVAEJV-PWSUYJOCSA-N 1 3 212.337 0.546 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000390617959 488169476 /nfs/dbraw/zinc/16/94/76/488169476.db2.gz DNJIXOSNMUTUJI-NEPJUHHUSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000390617959 488169469 /nfs/dbraw/zinc/16/94/69/488169469.db2.gz DNJIXOSNMUTUJI-NEPJUHHUSA-N 1 3 230.352 0.144 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)N(C)C ZINC000045108039 168322099 /nfs/dbraw/zinc/32/20/99/168322099.db2.gz UMZMNCOKOJVDNC-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153239123 136212803 /nfs/dbraw/zinc/21/28/03/136212803.db2.gz PXVOZVYZVUQVSD-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000153239123 136212804 /nfs/dbraw/zinc/21/28/04/136212804.db2.gz PXVOZVYZVUQVSD-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000257704719 349482147 /nfs/dbraw/zinc/48/21/47/349482147.db2.gz PEIPLCWNFAJLMW-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO [NH3+]CCCN1CCC[C@@H]1CN1CCOCC1 ZINC000257762724 349483760 /nfs/dbraw/zinc/48/37/60/349483760.db2.gz YCYROSSTPFZNEZ-GFCCVEGCSA-N 1 3 227.352 0.132 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000062972823 349503098 /nfs/dbraw/zinc/50/30/98/349503098.db2.gz IOFRIXCZYURTFP-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973243 349503192 /nfs/dbraw/zinc/50/31/92/349503192.db2.gz OOMBHGGLDLPKBD-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649342314 398159503 /nfs/dbraw/zinc/15/95/03/398159503.db2.gz ZGBSOAWBWWLOMD-QCNOEVLYSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1CCN(CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000164658095 136215076 /nfs/dbraw/zinc/21/50/76/136215076.db2.gz WQBHCZYUYOJEBX-MNOVXSKESA-N 1 3 227.352 0.381 20 0 BCADHO C[C@@H]1CC[N@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000164658095 136215077 /nfs/dbraw/zinc/21/50/77/136215077.db2.gz WQBHCZYUYOJEBX-MNOVXSKESA-N 1 3 227.352 0.381 20 0 BCADHO C[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000164658095 136215078 /nfs/dbraw/zinc/21/50/78/136215078.db2.gz WQBHCZYUYOJEBX-MNOVXSKESA-N 1 3 227.352 0.381 20 0 BCADHO C[C@H]([NH3+])CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000649359804 398171953 /nfs/dbraw/zinc/17/19/53/398171953.db2.gz CDGMOCPXBYQQRZ-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO COC(=O)CCN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177061431 136216586 /nfs/dbraw/zinc/21/65/86/136216586.db2.gz VBGKKOWCYITOHQ-GHMZBOCLSA-N 1 3 228.336 0.964 20 0 BCADHO COC(=O)CCN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177061431 136216587 /nfs/dbraw/zinc/21/65/87/136216587.db2.gz VBGKKOWCYITOHQ-GHMZBOCLSA-N 1 3 228.336 0.964 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000649348350 398161365 /nfs/dbraw/zinc/16/13/65/398161365.db2.gz IRJGTILJGFOWAD-HOSYDEDBSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000649348369 398161554 /nfs/dbraw/zinc/16/15/54/398161554.db2.gz JHTUYAPGDSKJPT-WCQGTBRESA-N 1 3 237.347 0.337 20 0 BCADHO CN(CCOCC[NH3+])Cc1cccc(O)c1 ZINC000301013138 349515950 /nfs/dbraw/zinc/51/59/50/349515950.db2.gz GZPZHTVKHNPLAS-UHFFFAOYSA-N 1 3 224.304 0.799 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CN1C1CC1 ZINC000649348482 398162440 /nfs/dbraw/zinc/16/24/40/398162440.db2.gz MBUJQNJZNPJONZ-RPLXWKFWSA-N 1 3 249.358 0.193 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCN(C)C1CC1 ZINC000576224803 365528930 /nfs/dbraw/zinc/52/89/30/365528930.db2.gz CPOXWYFGCPXWPC-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000576226176 365529180 /nfs/dbraw/zinc/52/91/80/365529180.db2.gz WNBQSMZQINMSTN-CMPLNLGQSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000576228257 365529985 /nfs/dbraw/zinc/52/99/85/365529985.db2.gz CVRJMLBFWIQYJT-OUAUKWLOSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000390669958 398201004 /nfs/dbraw/zinc/20/10/04/398201004.db2.gz SOUCXRMSIYXURL-GXSJLCMTSA-N 1 3 225.336 0.134 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446391556 398204497 /nfs/dbraw/zinc/20/44/97/398204497.db2.gz AGLLMHYGVAPDAD-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO N[C@@H](C(=O)NCC1=CC[NH2+]CC1)C1CCC1 ZINC000576278682 365547791 /nfs/dbraw/zinc/54/77/91/365547791.db2.gz QKJONGAHGBXZPV-LLVKDONJSA-N 1 3 223.320 0.150 20 0 BCADHO N[C@H](C(=O)NCC1=CC[NH2+]CC1)C1CCC1 ZINC000576278683 365547931 /nfs/dbraw/zinc/54/79/31/365547931.db2.gz QKJONGAHGBXZPV-NSHDSACASA-N 1 3 223.320 0.150 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCCc1ncn(C)n1 ZINC000647801232 398207809 /nfs/dbraw/zinc/20/78/09/398207809.db2.gz RYMOMQNFZGNTAE-UWVGGRQHSA-N 1 3 225.340 0.463 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+]CCCc1ncn(C)n1 ZINC000647801232 398207813 /nfs/dbraw/zinc/20/78/13/398207813.db2.gz RYMOMQNFZGNTAE-UWVGGRQHSA-N 1 3 225.340 0.463 20 0 BCADHO CN(C[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000649412601 398215179 /nfs/dbraw/zinc/21/51/79/398215179.db2.gz WWIDQCBKOCXMSE-AAEUAGOBSA-N 1 3 223.364 0.764 20 0 BCADHO Cn1cc(CCN[C@H](C[NH3+])C(C)(C)C)cn1 ZINC000649420006 398218574 /nfs/dbraw/zinc/21/85/74/398218574.db2.gz URPNMTCIMDGBRK-LLVKDONJSA-N 1 3 224.352 0.926 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCCCC[NH2+]2)CCN1 ZINC000576373592 365579617 /nfs/dbraw/zinc/57/96/17/365579617.db2.gz DNHIKGMJMIHBLV-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CN(C)C1(CN(C)C(=O)NCCC[NH3+])CCC1 ZINC000418364920 192028320 /nfs/dbraw/zinc/02/83/20/192028320.db2.gz XBDWINRLIQEWRO-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CN(CC[C@@H]1CC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413576 398212145 /nfs/dbraw/zinc/21/21/45/398212145.db2.gz MAOGBWYDPBBYDW-JTQLQIEISA-N 1 3 208.309 0.841 20 0 BCADHO CN(C)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418369550 192029388 /nfs/dbraw/zinc/02/93/88/192029388.db2.gz NPLNSDADSFMPMV-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)CNC2CC2)C1 ZINC000576457722 365601380 /nfs/dbraw/zinc/60/13/80/365601380.db2.gz QUGYYFJHYWYZDQ-LLVKDONJSA-N 1 3 245.326 0.655 20 0 BCADHO CC(O)CNC(=O)NC1CCCCC1C[NH3+] ZINC000418439160 192035709 /nfs/dbraw/zinc/03/57/09/192035709.db2.gz YBPLUNNJDAXOFR-KXUCPTDWSA-N 1 3 229.324 0.184 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000576463480 365602314 /nfs/dbraw/zinc/60/23/14/365602314.db2.gz SBVYTCNIRLKRCC-DCAQKATOSA-N 1 3 239.363 0.631 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000576475413 365605903 /nfs/dbraw/zinc/60/59/03/365605903.db2.gz CXDOKPIRPDBRGQ-AVGNSLFASA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C ZINC000576475413 365605910 /nfs/dbraw/zinc/60/59/10/365605910.db2.gz CXDOKPIRPDBRGQ-AVGNSLFASA-N 1 3 243.395 0.323 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000381266395 398242276 /nfs/dbraw/zinc/24/22/76/398242276.db2.gz UGACKZJWHLSCOT-OPRDCNLKSA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CCN(C)C ZINC000418426146 192037105 /nfs/dbraw/zinc/03/71/05/192037105.db2.gz LOXZGMFIGOPVII-NSHDSACASA-N 1 3 244.383 0.563 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000576586928 365632227 /nfs/dbraw/zinc/63/22/27/365632227.db2.gz BKAXCTSDMXWVBL-YPMHNXCESA-N 1 3 239.363 0.539 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)NCCN(C)C ZINC000418430704 192037741 /nfs/dbraw/zinc/03/77/41/192037741.db2.gz VFUQRWBPTYMOSK-UHFFFAOYSA-N 1 3 230.356 0.365 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)CCN(C)C1CC1 ZINC000576644668 365646855 /nfs/dbraw/zinc/64/68/55/365646855.db2.gz KLWXWJHDJCVIEJ-CYBMUJFWSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)CCN(C)C1CC1 ZINC000576644668 365646859 /nfs/dbraw/zinc/64/68/59/365646859.db2.gz KLWXWJHDJCVIEJ-CYBMUJFWSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)CCN(C)C1CC1 ZINC000576644669 365649529 /nfs/dbraw/zinc/64/95/29/365649529.db2.gz KLWXWJHDJCVIEJ-ZDUSSCGKSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)CCN(C)C1CC1 ZINC000576644669 365649537 /nfs/dbraw/zinc/64/95/37/365649537.db2.gz KLWXWJHDJCVIEJ-ZDUSSCGKSA-N 1 3 243.395 0.325 20 0 BCADHO CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CN2CCC1CC2 ZINC000382415681 398256357 /nfs/dbraw/zinc/25/63/57/398256357.db2.gz MAAXPMHAVYYAGR-LLVKDONJSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192246 398257480 /nfs/dbraw/zinc/25/74/80/398257480.db2.gz ZCAINIYBSGLVEA-LBPRGKRZSA-N 1 3 241.379 0.912 20 0 BCADHO Cc1cc(C)n(CCN(C)CCOCC[NH3+])n1 ZINC000386791468 398266277 /nfs/dbraw/zinc/26/62/77/398266277.db2.gz OICRNVXKLSTEMZ-UHFFFAOYSA-N 1 3 240.351 0.407 20 0 BCADHO CCOC[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000381603475 398266488 /nfs/dbraw/zinc/26/64/88/398266488.db2.gz OVTDLFWDNXOODW-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCSC ZINC000602544552 349588629 /nfs/dbraw/zinc/58/86/29/349588629.db2.gz LLTKRJOCVWFHFS-LPEHRKFASA-N 1 3 245.392 0.324 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000335388715 136235035 /nfs/dbraw/zinc/23/50/35/136235035.db2.gz KJZGAAWFPDHKSM-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CCC[NH2+]CCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418489279 192041581 /nfs/dbraw/zinc/04/15/81/192041581.db2.gz NCIOLSZJTNLBIE-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN(C)C1CC1 ZINC000165436586 361840150 /nfs/dbraw/zinc/84/01/50/361840150.db2.gz KEDFNDNBRSLJEN-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO CCC[NH2+]CCNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418493546 192042120 /nfs/dbraw/zinc/04/21/20/192042120.db2.gz YSHKHDJSAKCTOU-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO CC(C)[C@H](C(=O)NC1CCN(C)CC1)[C@@H](C)[NH3+] ZINC000399628574 342739377 /nfs/dbraw/zinc/73/93/77/342739377.db2.gz FIXKPTGQTRLGNN-PWSUYJOCSA-N 1 3 241.379 0.816 20 0 BCADHO CN(CC(=O)NCC1([NH+](C)C)CC1)C1CCC1 ZINC000630008259 361893202 /nfs/dbraw/zinc/89/32/02/361893202.db2.gz FJCIFTHVUSNSRY-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CC1CN(C)C1)C(=O)C[N@H+](C)C1CCC1 ZINC000630018587 361899890 /nfs/dbraw/zinc/89/98/90/361899890.db2.gz GEZRBMRAJOCZHD-UHFFFAOYSA-N 1 3 239.363 0.491 20 0 BCADHO CN(CC1CN(C)C1)C(=O)C[N@@H+](C)C1CCC1 ZINC000630018587 361899892 /nfs/dbraw/zinc/89/98/92/361899892.db2.gz GEZRBMRAJOCZHD-UHFFFAOYSA-N 1 3 239.363 0.491 20 0 BCADHO Cc1c[nH+]ccc1NCCN1CC[C@@H](O)C1 ZINC000624683964 342819292 /nfs/dbraw/zinc/81/92/92/342819292.db2.gz XKVMINHQMFJBRU-LLVKDONJSA-N 1 3 221.304 0.290 20 0 BCADHO CCc1cc(NCCN2CC[C@H](O)C2)cc[nH+]1 ZINC000624775798 342828950 /nfs/dbraw/zinc/82/89/50/342828950.db2.gz GMFYOTHBGJBBLM-ZDUSSCGKSA-N 1 3 235.331 0.544 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822069 398294391 /nfs/dbraw/zinc/29/43/91/398294391.db2.gz JAHJURALENNSES-WISYIIOYSA-N 1 3 237.347 0.052 20 0 BCADHO CN(CC(=O)NCCC[NH+](C)C)C1CCC1 ZINC000193360951 539005174 /nfs/dbraw/zinc/00/51/74/539005174.db2.gz IYMGYPYRDXTLFO-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335628203 136241234 /nfs/dbraw/zinc/24/12/34/136241234.db2.gz YAZPHNUMOCVLRK-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@]1(C(=O)N2CCNC(C)(C)C2)CC[NH2+]C1 ZINC000335626417 136240906 /nfs/dbraw/zinc/24/09/06/136240906.db2.gz DYTLGJDOSCRMMJ-GFCCVEGCSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418521182 192046715 /nfs/dbraw/zinc/04/67/15/192046715.db2.gz IBZPLCACABIERM-BBBLOLIVSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@@H]1CCC[NH2+]C1 ZINC000087646619 259325329 /nfs/dbraw/zinc/32/53/29/259325329.db2.gz LALQJOHYSQZCDC-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCNC1 ZINC000087646619 259325330 /nfs/dbraw/zinc/32/53/30/259325330.db2.gz LALQJOHYSQZCDC-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000035139993 342883802 /nfs/dbraw/zinc/88/38/02/342883802.db2.gz PBLJIECMOOUWDD-SECBINFHSA-N 1 3 213.325 0.323 20 0 BCADHO CN(C)CCN(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418558914 192050488 /nfs/dbraw/zinc/05/04/88/192050488.db2.gz CDCMYDDMGKLORP-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCN(C)C ZINC000418556406 192050531 /nfs/dbraw/zinc/05/05/31/192050531.db2.gz OVWVWBFONPMCHE-WDEREUQCSA-N 1 3 242.367 0.187 20 0 BCADHO C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1CO ZINC000351650490 136249287 /nfs/dbraw/zinc/24/92/87/136249287.db2.gz OUZKHVKZMJSGSF-NTZNESFSSA-N 1 3 242.363 0.002 20 0 BCADHO C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1CO ZINC000351650490 136249288 /nfs/dbraw/zinc/24/92/88/136249288.db2.gz OUZKHVKZMJSGSF-NTZNESFSSA-N 1 3 242.363 0.002 20 0 BCADHO N[C@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000580309915 346890098 /nfs/dbraw/zinc/89/00/98/346890098.db2.gz RPLDTRBRVHTEAE-GHMZBOCLSA-N 1 3 219.288 0.165 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000381283782 398339945 /nfs/dbraw/zinc/33/99/45/398339945.db2.gz YYXZIYHYZXFPNO-VHSXEESVSA-N 1 3 213.325 0.167 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000381462472 398344285 /nfs/dbraw/zinc/34/42/85/398344285.db2.gz LMYAIIPLTZEFNI-LPEHRKFASA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000381462470 398344345 /nfs/dbraw/zinc/34/43/45/398344345.db2.gz LMYAIIPLTZEFNI-KXUCPTDWSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(N)=O)C1 ZINC000580314395 346896798 /nfs/dbraw/zinc/89/67/98/346896798.db2.gz PNYJPDBGLZTHNJ-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(N)=O)C1 ZINC000580314395 346896800 /nfs/dbraw/zinc/89/68/00/346896800.db2.gz PNYJPDBGLZTHNJ-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC1(C(=O)N2C[C@@H](N)Cc3ccccc32)C[NH2+]C1 ZINC000580314424 346896817 /nfs/dbraw/zinc/89/68/17/346896817.db2.gz RPODLWLNZZWBHM-NSHDSACASA-N 1 3 245.326 0.513 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000580312931 346897154 /nfs/dbraw/zinc/89/71/54/346897154.db2.gz PBDNUUOFFOUJLK-NAKRPEOUSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)[NH+]1CCC(NCCCO)CC1 ZINC000020187797 342975268 /nfs/dbraw/zinc/97/52/68/342975268.db2.gz CHSPYMLGMVBSDK-UHFFFAOYSA-N 1 3 200.326 0.831 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCCN2CCOCC2)C1 ZINC000351849740 136257570 /nfs/dbraw/zinc/25/75/70/136257570.db2.gz HAWZFJMUTOTTTH-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO COCC[N@H+](C)CCCNC(=O)[C@@H](N)C(C)C ZINC000262151454 536791967 /nfs/dbraw/zinc/79/19/67/536791967.db2.gz RPPVUUKJIJJHAX-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO COCC[N@@H+](C)CCCNC(=O)[C@@H](N)C(C)C ZINC000262151454 536791971 /nfs/dbraw/zinc/79/19/71/536791971.db2.gz RPPVUUKJIJJHAX-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236648785 343105719 /nfs/dbraw/zinc/10/57/19/343105719.db2.gz GQZSBDHBMXWYTC-NSHDSACASA-N 1 3 227.352 0.557 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)CNC1CC1 ZINC000236711675 343108407 /nfs/dbraw/zinc/10/84/07/343108407.db2.gz JYVVSXUJPPWPQK-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)CNC1CC1 ZINC000236711675 343108409 /nfs/dbraw/zinc/10/84/09/343108409.db2.gz JYVVSXUJPPWPQK-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236749455 343109967 /nfs/dbraw/zinc/10/99/67/343109967.db2.gz VPLCNAXDHKJJTG-QWRGUYRKSA-N 1 3 227.352 0.476 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000237067135 343122273 /nfs/dbraw/zinc/12/22/73/343122273.db2.gz MGLYDUHMNSNTNF-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000236957942 343116057 /nfs/dbraw/zinc/11/60/57/343116057.db2.gz IIAQBNZFNSOVCI-RKDXNWHRSA-N 1 3 201.314 0.086 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418687778 192060705 /nfs/dbraw/zinc/06/07/05/192060705.db2.gz AJUCJIZNWDPMAE-QEYWKRMJSA-N 1 3 228.340 0.114 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000322804344 323036727 /nfs/dbraw/zinc/03/67/27/323036727.db2.gz RINFOGGGTRFZTP-IVZWLZJFSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237461213 343143065 /nfs/dbraw/zinc/14/30/65/343143065.db2.gz QKVXIASCOQQOPB-HBNTYKKESA-N 1 3 241.379 0.946 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000322804344 323036728 /nfs/dbraw/zinc/03/67/28/323036728.db2.gz RINFOGGGTRFZTP-IVZWLZJFSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000092957453 343150766 /nfs/dbraw/zinc/15/07/66/343150766.db2.gz DCSYDWVBKSIEFD-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000237693144 343158181 /nfs/dbraw/zinc/15/81/81/343158181.db2.gz WFNAPAKLWLVHNH-RTXFEEFZSA-N 1 3 247.342 0.882 20 0 BCADHO C[C@H](NC(=O)CNC1CC1)C(C)(C)C[NH+](C)C ZINC000237630862 343160889 /nfs/dbraw/zinc/16/08/89/343160889.db2.gz VHUHRRMDKKHXLG-JTQLQIEISA-N 1 3 241.379 0.831 20 0 BCADHO C[NH+](C)C1(CNC(=O)CNC2CC2)CCCC1 ZINC000125836905 343167724 /nfs/dbraw/zinc/16/77/24/343167724.db2.gz QBUZXCFMQMSGDO-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129080526 343176049 /nfs/dbraw/zinc/17/60/49/343176049.db2.gz XPYQBTPMGIMFMN-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129080526 343176051 /nfs/dbraw/zinc/17/60/51/343176051.db2.gz XPYQBTPMGIMFMN-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](NC(=O)N1CCC[C@@H](N(C)C)C1)[C@H](C)[NH3+] ZINC000418694033 192061065 /nfs/dbraw/zinc/06/10/65/192061065.db2.gz HLSUUKZIHPZAMC-HBNTYKKESA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)C[NH3+])N1CCCC1 ZINC000160930707 343203917 /nfs/dbraw/zinc/20/39/17/343203917.db2.gz IRAFQTJCWCQGNA-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@H](C)N1CCCC1 ZINC000161051366 343204283 /nfs/dbraw/zinc/20/42/83/343204283.db2.gz KOPSKGWPDGQQHV-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO COC[C@H](C)C[N@@H+]1C[C@H](CN)C[C@@H]1C ZINC000163553707 343206902 /nfs/dbraw/zinc/20/69/02/343206902.db2.gz ZTRNBBWYRMZPQO-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1C[C@H](CN)C[C@@H]1C ZINC000163553707 343206903 /nfs/dbraw/zinc/20/69/03/343206903.db2.gz ZTRNBBWYRMZPQO-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO CSCC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000580549945 365740423 /nfs/dbraw/zinc/74/04/23/365740423.db2.gz VVZHBBAMHWCCRI-UTLUCORTSA-N 1 3 245.392 0.263 20 0 BCADHO C[NH2+]CCCN(C)[C@H]1CCN(C2CC2)C1 ZINC000087472167 136281616 /nfs/dbraw/zinc/28/16/16/136281616.db2.gz MGBKNRQFGGENLZ-LBPRGKRZSA-N 1 3 211.353 0.764 20 0 BCADHO CC[NH+]1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000088050654 136284142 /nfs/dbraw/zinc/28/41/42/136284142.db2.gz UQNHGCYGFCWKMF-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091219 136284360 /nfs/dbraw/zinc/28/43/60/136284360.db2.gz ZCHJCGYUQQDBTN-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091219 136284361 /nfs/dbraw/zinc/28/43/61/136284361.db2.gz ZCHJCGYUQQDBTN-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO C([C@H]1CCC2(CNC2)O1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688111 343247582 /nfs/dbraw/zinc/24/75/82/343247582.db2.gz IMENBQSFIUQHSQ-GRYCIOLGSA-N 1 3 238.331 0.086 20 0 BCADHO C([C@H]1CCC2(CNC2)O1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688111 343247583 /nfs/dbraw/zinc/24/75/83/343247583.db2.gz IMENBQSFIUQHSQ-GRYCIOLGSA-N 1 3 238.331 0.086 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@@H]1CC[C@@H](C)O1 ZINC000634688586 343249137 /nfs/dbraw/zinc/24/91/37/343249137.db2.gz XAZAZEZELMXZQU-NEPJUHHUSA-N 1 3 230.352 0.722 20 0 BCADHO CSCCCNC[C@H](O)C[NH+]1CCCC1 ZINC000069001421 343256347 /nfs/dbraw/zinc/25/63/47/343256347.db2.gz SYYXRFYJMZBODW-NSHDSACASA-N 1 3 232.393 0.786 20 0 BCADHO Cc1nccn1CCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000348750791 136296832 /nfs/dbraw/zinc/29/68/32/136296832.db2.gz PTOJJDSSTAGJJQ-BETUJISGSA-N 1 3 234.347 0.733 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)N1CCN(C)CC[C@H]1C ZINC000335619755 136297026 /nfs/dbraw/zinc/29/70/26/136297026.db2.gz SJHXIKQXDUKOTC-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2CCCC[NH2+]2)CCN1 ZINC000335627363 136299651 /nfs/dbraw/zinc/29/96/51/136299651.db2.gz QCPNVAVKKAUPIL-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335648361 136304392 /nfs/dbraw/zinc/30/43/92/136304392.db2.gz GDNFYBRURYNSIX-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000335652785 136305536 /nfs/dbraw/zinc/30/55/36/136305536.db2.gz BBBQZENWAVTRSK-IUCAKERBSA-N 1 3 247.289 0.099 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000335652786 136305558 /nfs/dbraw/zinc/30/55/58/136305558.db2.gz BBBQZENWAVTRSK-RKDXNWHRSA-N 1 3 247.289 0.099 20 0 BCADHO O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]C1 ZINC000335652874 136305608 /nfs/dbraw/zinc/30/56/08/136305608.db2.gz CRNBNNALPCCGCM-RKDXNWHRSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@]1(C(=O)N[C@@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000335654719 136306236 /nfs/dbraw/zinc/30/62/36/136306236.db2.gz ZVFFVOWUKWSUCH-SCZZXKLOSA-N 1 3 247.289 0.099 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000335656775 136306569 /nfs/dbraw/zinc/30/65/69/136306569.db2.gz PEXBYUWMDWTWQT-IUCAKERBSA-N 1 3 211.309 0.254 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000335661547 136315289 /nfs/dbraw/zinc/31/52/89/136315289.db2.gz FZNDKWAYXHSINC-MNOVXSKESA-N 1 3 239.363 0.892 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000335662320 136315530 /nfs/dbraw/zinc/31/55/30/136315530.db2.gz IWWMQGLFPGARLX-ZJUUUORDSA-N 1 3 225.336 0.502 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000335662184 136315571 /nfs/dbraw/zinc/31/55/71/136315571.db2.gz FZNDKWAYXHSINC-QWRGUYRKSA-N 1 3 239.363 0.892 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000349084890 136322566 /nfs/dbraw/zinc/32/25/66/136322566.db2.gz ZKFCCEJRKDYNNV-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000349142046 136324011 /nfs/dbraw/zinc/32/40/11/136324011.db2.gz HBPLAUKHQHMWIM-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000349142046 136324012 /nfs/dbraw/zinc/32/40/12/136324012.db2.gz HBPLAUKHQHMWIM-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]([NH3+])C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809133 343409349 /nfs/dbraw/zinc/40/93/49/343409349.db2.gz OMRQEMQQXCMUSB-JQWIXIFHSA-N 1 3 235.331 0.753 20 0 BCADHO NC1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCCC1 ZINC000335701472 136333932 /nfs/dbraw/zinc/33/39/32/136333932.db2.gz MLODXYOHWFMSTN-WDEREUQCSA-N 1 3 237.347 0.468 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310327183 343433485 /nfs/dbraw/zinc/43/34/85/343433485.db2.gz AWLXFDLTESXIJO-CYDGBPFRSA-N 1 3 242.363 0.002 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000310327183 343433486 /nfs/dbraw/zinc/43/34/86/343433486.db2.gz AWLXFDLTESXIJO-CYDGBPFRSA-N 1 3 242.363 0.002 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310327187 343435691 /nfs/dbraw/zinc/43/56/91/343435691.db2.gz AWLXFDLTESXIJO-WUHRBBMRSA-N 1 3 242.363 0.002 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000310327187 343435694 /nfs/dbraw/zinc/43/56/94/343435694.db2.gz AWLXFDLTESXIJO-WUHRBBMRSA-N 1 3 242.363 0.002 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000262671776 136374607 /nfs/dbraw/zinc/37/46/07/136374607.db2.gz OVEVWMPZLNNPSB-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000262671776 136374608 /nfs/dbraw/zinc/37/46/08/136374608.db2.gz OVEVWMPZLNNPSB-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](NC(=O)C(C)(C)N)C(C)(C)C[NH+](C)C ZINC000262673555 136374686 /nfs/dbraw/zinc/37/46/86/136374686.db2.gz PZNFFPYSRQVTBR-SECBINFHSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H](NC(=O)C(C)(C)N)C(C)(C)C[NH+](C)C ZINC000262673556 136374744 /nfs/dbraw/zinc/37/47/44/136374744.db2.gz PZNFFPYSRQVTBR-VIFPVBQESA-N 1 3 229.368 0.816 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(N)CC1 ZINC000083346706 343481563 /nfs/dbraw/zinc/48/15/63/343481563.db2.gz UPDBUKBQHGEESM-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)C1(N)CC1 ZINC000083346706 343481565 /nfs/dbraw/zinc/48/15/65/343481565.db2.gz UPDBUKBQHGEESM-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO COC[C@@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000379941978 365756045 /nfs/dbraw/zinc/75/60/45/365756045.db2.gz ZEXVHYUWKDVWPG-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)C1(N)CC1 ZINC000083833802 343503722 /nfs/dbraw/zinc/50/37/22/343503722.db2.gz VWCTYLIQWFYCOY-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C(C)C)CC1 ZINC000379994566 365786499 /nfs/dbraw/zinc/78/64/99/365786499.db2.gz VGWHDOAGFVCHKJ-ZDUSSCGKSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C(C)C)CC1 ZINC000379994566 365786503 /nfs/dbraw/zinc/78/65/03/365786503.db2.gz VGWHDOAGFVCHKJ-ZDUSSCGKSA-N 1 3 243.395 0.325 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932299 343632604 /nfs/dbraw/zinc/63/26/04/343632604.db2.gz MHILTEGARHRASF-IVZWLZJFSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932299 343632607 /nfs/dbraw/zinc/63/26/07/343632607.db2.gz MHILTEGARHRASF-IVZWLZJFSA-N 1 3 211.309 0.029 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC1CC1 ZINC000153924369 343706254 /nfs/dbraw/zinc/70/62/54/343706254.db2.gz WQDGIVWDGYJLKY-LBPRGKRZSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C)CC[C@H]1C ZINC000418716278 192063919 /nfs/dbraw/zinc/06/39/19/192063919.db2.gz ZPNLXBJHWZEMLB-VWYCJHECSA-N 1 3 242.367 0.458 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000261544413 349849983 /nfs/dbraw/zinc/84/99/83/349849983.db2.gz XXQABRKUHWBNPB-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CCN2CC[C@H](O)C2)CCN1C ZINC000624335555 343717948 /nfs/dbraw/zinc/71/79/48/343717948.db2.gz VDJHLJIOBJBOQB-UPJWGTAASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335555 343717949 /nfs/dbraw/zinc/71/79/49/343717949.db2.gz VDJHLJIOBJBOQB-UPJWGTAASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335555 343717950 /nfs/dbraw/zinc/71/79/50/343717950.db2.gz VDJHLJIOBJBOQB-UPJWGTAASA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1CCC[N@H+](CCNC(=O)CNC2CC2)C1 ZINC000154627505 343720999 /nfs/dbraw/zinc/72/09/99/343720999.db2.gz URJKAMSCGGJXNU-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCC[N@@H+](CCNC(=O)CNC2CC2)C1 ZINC000154627505 343721001 /nfs/dbraw/zinc/72/10/01/343721001.db2.gz URJKAMSCGGJXNU-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCC[N@H+](CCNC(=O)CNC2CC2)C1 ZINC000154627390 343721725 /nfs/dbraw/zinc/72/17/25/343721725.db2.gz URJKAMSCGGJXNU-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)CNC2CC2)C1 ZINC000154627390 343721727 /nfs/dbraw/zinc/72/17/27/343721727.db2.gz URJKAMSCGGJXNU-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178720999 346963834 /nfs/dbraw/zinc/96/38/34/346963834.db2.gz DHKQHQDSQLTVTI-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000584113028 343759581 /nfs/dbraw/zinc/75/95/81/343759581.db2.gz WYLMKWLFDBHHGR-UKKRHICBSA-N 1 3 243.326 0.320 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000179012504 346970870 /nfs/dbraw/zinc/97/08/70/346970870.db2.gz CTGLHFZRBCGONR-MXWKQRLJSA-N 1 3 227.352 0.428 20 0 BCADHO CCN1CCN(CCC[NH2+]C2CC2)CC1 ZINC000037478525 537820086 /nfs/dbraw/zinc/82/00/86/537820086.db2.gz YDXFVLBRMXOIDZ-UHFFFAOYSA-N 1 3 211.353 0.766 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000069838893 344041334 /nfs/dbraw/zinc/04/13/34/344041334.db2.gz BUONTMXCURYTAB-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000570549313 323062768 /nfs/dbraw/zinc/06/27/68/323062768.db2.gz QJFZSACOUCTGJX-DCAQKATOSA-N 1 3 227.352 0.605 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000156172282 323064912 /nfs/dbraw/zinc/06/49/12/323064912.db2.gz COHZOHIZHCXMBH-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000130408310 344136728 /nfs/dbraw/zinc/13/67/28/344136728.db2.gz WLMSIQPVHCKTBH-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CN1CCN(CCCSCC[NH+](C)C)CC1 ZINC000130966604 344211871 /nfs/dbraw/zinc/21/18/71/344211871.db2.gz GKJWZEFFQMQAGZ-UHFFFAOYSA-N 1 3 245.436 0.919 20 0 BCADHO CN1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CCC1=O ZINC000086404511 344216765 /nfs/dbraw/zinc/21/67/65/344216765.db2.gz CDUGVOHVQVACLC-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO CN1C[C@H]([NH2+][C@@H]2CCC[C@H](N)C2)CCC1=O ZINC000086404511 344216766 /nfs/dbraw/zinc/21/67/66/344216766.db2.gz CDUGVOHVQVACLC-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CCCC[NH3+])C1 ZINC000084420106 344191769 /nfs/dbraw/zinc/19/17/69/344191769.db2.gz FLPDRTDYCUKPHJ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634752496 344203579 /nfs/dbraw/zinc/20/35/79/344203579.db2.gz MYXAIHVBAJISEO-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)C(C)C ZINC000309360371 347042426 /nfs/dbraw/zinc/04/24/26/347042426.db2.gz AITLKUFBWTZSAA-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763828 344276201 /nfs/dbraw/zinc/27/62/01/344276201.db2.gz DQBUFHUHOPJHQQ-NSHDSACASA-N 1 3 241.379 0.879 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634764750 344277115 /nfs/dbraw/zinc/27/71/15/344277115.db2.gz APJDWRQOJKEMTL-FOGDFJRCSA-N 1 3 225.336 0.372 20 0 BCADHO CCC[C@H](N)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634764751 344277170 /nfs/dbraw/zinc/27/71/70/344277170.db2.gz APJDWRQOJKEMTL-SCVCMEIPSA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768801 344280686 /nfs/dbraw/zinc/28/06/86/344280686.db2.gz ZOKKOHCFBBTXOZ-FYBVGQRMSA-N 1 3 247.289 0.227 20 0 BCADHO CC(C)NCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634769830 344284238 /nfs/dbraw/zinc/28/42/38/344284238.db2.gz PTLUFKGBBORELC-PWSUYJOCSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CCC[NH3+])CCN1C ZINC000132972806 344310501 /nfs/dbraw/zinc/31/05/01/344310501.db2.gz AITRGLNQLWBZBM-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCSCCN(C)CCOCC[NH3+] ZINC000600735242 344365085 /nfs/dbraw/zinc/36/50/85/344365085.db2.gz KYKCZUASSYMMRL-UHFFFAOYSA-N 1 3 206.355 0.647 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000131535590 344299324 /nfs/dbraw/zinc/29/93/24/344299324.db2.gz DLWBOECOZXNZAN-QWHCGFSZSA-N 1 3 247.342 0.377 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CN)C1 ZINC000236770649 344403865 /nfs/dbraw/zinc/40/38/65/344403865.db2.gz BKWXOQMSRNXKGZ-SNVBAGLBSA-N 1 3 213.325 0.039 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)CN)C1 ZINC000236770649 344403866 /nfs/dbraw/zinc/40/38/66/344403866.db2.gz BKWXOQMSRNXKGZ-SNVBAGLBSA-N 1 3 213.325 0.039 20 0 BCADHO CC[NH+](CC)CCNC(=O)C(C)(C)N ZINC000040920029 344410736 /nfs/dbraw/zinc/41/07/36/344410736.db2.gz KWVRHDMADWXRDT-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CCN(CC)CC(=O)N1CCC[NH2+]CC1 ZINC000042354426 344451456 /nfs/dbraw/zinc/45/14/56/344451456.db2.gz NXBXKUDPGDJUBB-UHFFFAOYSA-N 1 3 213.325 0.150 20 0 BCADHO CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000042681159 344461944 /nfs/dbraw/zinc/46/19/44/344461944.db2.gz QXMMWKTZIFRITA-UHFFFAOYSA-N 1 3 200.326 0.785 20 0 BCADHO CCN1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000043327423 344489282 /nfs/dbraw/zinc/48/92/82/344489282.db2.gz AJGMAYAJTPBQSW-LBPRGKRZSA-N 1 3 211.353 0.812 20 0 BCADHO C(CN1CCCCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000080961046 344489304 /nfs/dbraw/zinc/48/93/04/344489304.db2.gz NWBFOYQNVCOQBI-STQMWFEESA-N 1 3 223.364 0.624 20 0 BCADHO C[N@H+](C[C@H](O)CNCCc1ccncc1)C1CC1 ZINC000381405001 344501733 /nfs/dbraw/zinc/50/17/33/344501733.db2.gz XHYFJVWCTCRVJC-CQSZACIVSA-N 1 3 249.358 0.669 20 0 BCADHO C[N@@H+](C[C@H](O)CNCCc1ccncc1)C1CC1 ZINC000381405001 344501734 /nfs/dbraw/zinc/50/17/34/344501734.db2.gz XHYFJVWCTCRVJC-CQSZACIVSA-N 1 3 249.358 0.669 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)CCSC ZINC000381475706 344510415 /nfs/dbraw/zinc/51/04/15/344510415.db2.gz QNJZSCIQXJTOCL-SECBINFHSA-N 1 3 233.381 0.183 20 0 BCADHO CC[NH+]1CCC(NCCC(=O)NC)CC1 ZINC000044317700 344538554 /nfs/dbraw/zinc/53/85/54/344538554.db2.gz RLIFQESOIKKCLG-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO O=C([C@H]1CCC[NH2+]1)N1CCN2CCC[C@@H]2C1 ZINC000037812573 344591008 /nfs/dbraw/zinc/59/10/08/344591008.db2.gz ZOSYSAXPUPXVDY-GHMZBOCLSA-N 1 3 223.320 0.045 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000309834002 259377975 /nfs/dbraw/zinc/37/79/75/259377975.db2.gz ZLNREVROHMXUPI-AXTSPUMRSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000641424263 362408893 /nfs/dbraw/zinc/40/88/93/362408893.db2.gz IWIBYJRIKUMXJP-UWVGGRQHSA-N 1 3 228.340 0.069 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158292951 344584013 /nfs/dbraw/zinc/58/40/13/344584013.db2.gz DQLYHMAJLDIDQB-JQWIXIFHSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CNC1CC1 ZINC000309426959 347059666 /nfs/dbraw/zinc/05/96/66/347059666.db2.gz KLGBQOKYNLBZCJ-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CNC1CC1 ZINC000309426957 347059689 /nfs/dbraw/zinc/05/96/89/347059689.db2.gz KLGBQOKYNLBZCJ-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000574204927 344707666 /nfs/dbraw/zinc/70/76/66/344707666.db2.gz KVVDKKZURRYZIL-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO CCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761092 537866396 /nfs/dbraw/zinc/86/63/96/537866396.db2.gz GCMYQDYFMAUILC-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000583380304 344855622 /nfs/dbraw/zinc/85/56/22/344855622.db2.gz YSYZRCYTPAWDSF-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583390910 344876190 /nfs/dbraw/zinc/87/61/90/344876190.db2.gz FEHCTBZIIMCCFR-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000583448483 344997443 /nfs/dbraw/zinc/99/74/43/344997443.db2.gz COGXHOPAOAEPLO-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000154495383 345039066 /nfs/dbraw/zinc/03/90/66/345039066.db2.gz GVQDTZUFSFRXGB-LLVKDONJSA-N 1 3 229.368 0.688 20 0 BCADHO CC(C)[C@@H](C[NH3+])CN1CCNC[C@@](C)(F)C1 ZINC000634994643 345182563 /nfs/dbraw/zinc/18/25/63/345182563.db2.gz JNDJIRRPBIIAGG-NWDGAFQWSA-N 1 3 231.359 0.851 20 0 BCADHO C[C@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156113770 345128681 /nfs/dbraw/zinc/12/86/81/345128681.db2.gz KFNZBTPDCRCACF-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156113770 345128684 /nfs/dbraw/zinc/12/86/84/345128684.db2.gz KFNZBTPDCRCACF-QJPTWQEYSA-N 1 3 212.337 0.974 20 0 BCADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000245424755 345226498 /nfs/dbraw/zinc/22/64/98/345226498.db2.gz KGMQEKAFIZDBLW-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](C)C[NH+]1CCC(NCCO)CC1 ZINC000635002674 345204579 /nfs/dbraw/zinc/20/45/79/345204579.db2.gz XKVIWYFPMREFBW-LLVKDONJSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000635004259 345207762 /nfs/dbraw/zinc/20/77/62/345207762.db2.gz NUMMRYONIFJZEE-QNWHQSFQSA-N 1 3 244.379 0.879 20 0 BCADHO C[C@@H](CC(N)=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000635008127 345215786 /nfs/dbraw/zinc/21/57/86/345215786.db2.gz ZRPUATZASXFTKO-AAEUAGOBSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CC[C@H](N)Cc1ccccc1 ZINC000635008127 345215788 /nfs/dbraw/zinc/21/57/88/345215788.db2.gz ZRPUATZASXFTKO-AAEUAGOBSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)C(C)(C)C)[NH+](C)C ZINC000162624884 345222847 /nfs/dbraw/zinc/22/28/47/345222847.db2.gz METUBBRXATXZKJ-BDAKNGLRSA-N 1 3 215.341 0.426 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCCC1 ZINC000158787346 345261828 /nfs/dbraw/zinc/26/18/28/345261828.db2.gz LMDHTFVYOCUJAN-GFCCVEGCSA-N 1 3 237.347 0.470 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000158528511 345345609 /nfs/dbraw/zinc/34/56/09/345345609.db2.gz QJVHVQVYVNJXBH-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000158528511 345345612 /nfs/dbraw/zinc/34/56/12/345345612.db2.gz QJVHVQVYVNJXBH-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248447982 345389590 /nfs/dbraw/zinc/38/95/90/345389590.db2.gz DLJZROFGXAQEDX-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H](C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC000159326312 345424267 /nfs/dbraw/zinc/42/42/67/345424267.db2.gz FTSDCLNGBSQGCY-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@]1(C(=O)N2CCCNCC2)CCCC[NH2+]1 ZINC000159544664 345442293 /nfs/dbraw/zinc/44/22/93/345442293.db2.gz SVJIZXPGYXHVKJ-GFCCVEGCSA-N 1 3 225.336 0.341 20 0 BCADHO CN(C)Cc1ccc(C(=O)NCCC[NH3+])cc1 ZINC000082262499 345499433 /nfs/dbraw/zinc/49/94/33/345499433.db2.gz ZFFLXFALNJPNAY-UHFFFAOYSA-N 1 3 235.331 0.827 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000068891764 349930359 /nfs/dbraw/zinc/93/03/59/349930359.db2.gz AQKKJQGYFTXIMQ-JQWIXIFHSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068891764 349930361 /nfs/dbraw/zinc/93/03/61/349930361.db2.gz AQKKJQGYFTXIMQ-JQWIXIFHSA-N 1 3 228.336 0.068 20 0 BCADHO COC[C@@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000068891764 349930363 /nfs/dbraw/zinc/93/03/63/349930363.db2.gz AQKKJQGYFTXIMQ-JQWIXIFHSA-N 1 3 228.336 0.068 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563100969 323092375 /nfs/dbraw/zinc/09/23/75/323092375.db2.gz LLBKZHHQIXEESH-IUCAKERBSA-N 1 3 249.305 0.475 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262842034 535000249 /nfs/dbraw/zinc/00/02/49/535000249.db2.gz JAWKHVDMRDSCLH-GHMZBOCLSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000563116084 323093454 /nfs/dbraw/zinc/09/34/54/323093454.db2.gz XWNNCOMKAFJHEN-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000563108932 323092840 /nfs/dbraw/zinc/09/28/40/323092840.db2.gz QZBPYAQKJKSJEG-BXKDBHETSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000662823591 537911348 /nfs/dbraw/zinc/91/13/48/537911348.db2.gz UDCDQGHGSKKZCD-BDAKNGLRSA-N 1 3 201.314 0.226 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOC[C@H]1CCCO1 ZINC000563152448 323095776 /nfs/dbraw/zinc/09/57/76/323095776.db2.gz ZUGARRMYLRFVDK-FRRDWIJNSA-N 1 3 242.363 0.851 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158919433 345874923 /nfs/dbraw/zinc/87/49/23/345874923.db2.gz FXTIJLIZAXIONC-WCQYABFASA-N 1 3 237.347 0.341 20 0 BCADHO O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000178408432 345915136 /nfs/dbraw/zinc/91/51/36/345915136.db2.gz LGTYHQVYMJTAJC-GHMZBOCLSA-N 1 3 225.336 0.244 20 0 BCADHO C[C@H](C(=O)N(C)CCN(C)C1CC1)C1C[NH2+]C1 ZINC000571043946 323105102 /nfs/dbraw/zinc/10/51/02/323105102.db2.gz GOXMBVHKVULHAB-JTQLQIEISA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(N)=O ZINC000628253591 346230343 /nfs/dbraw/zinc/23/03/43/346230343.db2.gz OZELVFWSTHOQSQ-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](C(=O)N1CCN[C@@H](C)C1)[NH+](C)C ZINC000390747371 346324047 /nfs/dbraw/zinc/32/40/47/346324047.db2.gz AMFJPGXWRVUKLI-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC(CC[NH3+])CC1 ZINC000069729971 349953950 /nfs/dbraw/zinc/95/39/50/349953950.db2.gz CXGMAUNCJMBQMB-JTQLQIEISA-N 1 3 213.325 0.311 20 0 BCADHO CN1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000069732867 349954715 /nfs/dbraw/zinc/95/47/15/349954715.db2.gz XSHUKFHSUDLNBI-UHFFFAOYSA-N 1 3 213.325 0.280 20 0 BCADHO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CCc1cncn1C ZINC000641798782 362746626 /nfs/dbraw/zinc/74/66/26/362746626.db2.gz IFAFKIXQWMYOOP-NQBHXWOUSA-N 1 3 236.363 0.939 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCc1cncn1C ZINC000641798782 362746627 /nfs/dbraw/zinc/74/66/27/362746627.db2.gz IFAFKIXQWMYOOP-NQBHXWOUSA-N 1 3 236.363 0.939 20 0 BCADHO CC(C)NCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000563451616 323126535 /nfs/dbraw/zinc/12/65/35/323126535.db2.gz NTWWFCQHGWLFSY-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCc2cncn2C)C1 ZINC000641799545 362748099 /nfs/dbraw/zinc/74/80/99/362748099.db2.gz WYGGJQQJCYGFDX-WDEREUQCSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2cncn2C)C1 ZINC000641799542 362748175 /nfs/dbraw/zinc/74/81/75/362748175.db2.gz WYGGJQQJCYGFDX-GHMZBOCLSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCc2cncn2C)C1 ZINC000641799544 362748206 /nfs/dbraw/zinc/74/82/06/362748206.db2.gz WYGGJQQJCYGFDX-QWRGUYRKSA-N 1 3 222.336 0.632 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CCCCOC)C1 ZINC000053033718 346509007 /nfs/dbraw/zinc/50/90/07/346509007.db2.gz SOFQQYCBQYEHNL-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000580071856 346511930 /nfs/dbraw/zinc/51/19/30/346511930.db2.gz OVUSLKQSLXIHOG-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO Cn1ccc(CN[C@H]2C[C@@H]([NH3+])C2(C)C)cc1=O ZINC000641807737 362766522 /nfs/dbraw/zinc/76/65/22/362766522.db2.gz RNFCDGHOUCZAJA-MNOVXSKESA-N 1 3 235.331 0.601 20 0 BCADHO Cn1ccc(C[NH2+][C@H]2C[C@@H](N)C2(C)C)cc1=O ZINC000641807737 362766527 /nfs/dbraw/zinc/76/65/27/362766527.db2.gz RNFCDGHOUCZAJA-MNOVXSKESA-N 1 3 235.331 0.601 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000580120612 346542431 /nfs/dbraw/zinc/54/24/31/346542431.db2.gz FNTXGPXQOWDMTC-JHJVBQTASA-N 1 3 242.363 0.146 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000580120612 346542435 /nfs/dbraw/zinc/54/24/35/346542435.db2.gz FNTXGPXQOWDMTC-JHJVBQTASA-N 1 3 242.363 0.146 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000580120615 346542705 /nfs/dbraw/zinc/54/27/05/346542705.db2.gz FNTXGPXQOWDMTC-YNEHKIRRSA-N 1 3 242.363 0.146 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000580120615 346542708 /nfs/dbraw/zinc/54/27/08/346542708.db2.gz FNTXGPXQOWDMTC-YNEHKIRRSA-N 1 3 242.363 0.146 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC)C1CC[NH2+]CC1 ZINC000163306827 346555031 /nfs/dbraw/zinc/55/50/31/346555031.db2.gz MEDBHDJWBIMFDT-NSHDSACASA-N 1 3 227.352 0.714 20 0 BCADHO COC[C@H](CCO)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000300396420 346613411 /nfs/dbraw/zinc/61/34/11/346613411.db2.gz DPTCFWPEQQAINK-DCAQKATOSA-N 1 3 216.325 0.243 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@H]1[NH3+] ZINC000580197451 346654316 /nfs/dbraw/zinc/65/43/16/346654316.db2.gz JNEMHPHRBIUUOK-IVZWLZJFSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334156075 187370316 /nfs/dbraw/zinc/37/03/16/187370316.db2.gz XKCYHARKZLFPSG-AAEUAGOBSA-N 1 3 239.363 0.572 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)COCC2CC2)C1 ZINC000580216271 346699394 /nfs/dbraw/zinc/69/93/94/346699394.db2.gz SYLXOASXPDNPBP-AGIUHOORSA-N 1 3 242.363 0.633 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000309768749 347159230 /nfs/dbraw/zinc/15/92/30/347159230.db2.gz JYXDXZFONMMEJC-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO Cn1cc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000087765867 362787156 /nfs/dbraw/zinc/78/71/56/362787156.db2.gz FJJYDYSPQGTDFV-NWDGAFQWSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1cc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cn1 ZINC000087765867 362787160 /nfs/dbraw/zinc/78/71/60/362787160.db2.gz FJJYDYSPQGTDFV-NWDGAFQWSA-N 1 3 222.336 0.822 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000336753022 347217002 /nfs/dbraw/zinc/21/70/02/347217002.db2.gz WDTPBUVHEGQWNE-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000571432008 323144631 /nfs/dbraw/zinc/14/46/31/323144631.db2.gz AHHOAZOIXUCMHU-ZJUUUORDSA-N 1 3 225.336 0.372 20 0 BCADHO COC[C@H](C)[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000571443582 323144990 /nfs/dbraw/zinc/14/49/90/323144990.db2.gz YLXFOGLXFQIXHM-NWDGAFQWSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@H](C)[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000571443582 323144991 /nfs/dbraw/zinc/14/49/91/323144991.db2.gz YLXFOGLXFQIXHM-NWDGAFQWSA-N 1 3 242.363 0.709 20 0 BCADHO COC[C@H](C)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571443582 323144992 /nfs/dbraw/zinc/14/49/92/323144992.db2.gz YLXFOGLXFQIXHM-NWDGAFQWSA-N 1 3 242.363 0.709 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000571653503 323151192 /nfs/dbraw/zinc/15/11/92/323151192.db2.gz SMSOIYZMAKFGPP-UTLUCORTSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000591430093 347655190 /nfs/dbraw/zinc/65/51/90/347655190.db2.gz XTCXSEATEJXJQT-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000591430093 347655193 /nfs/dbraw/zinc/65/51/93/347655193.db2.gz XTCXSEATEJXJQT-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000592331198 347767673 /nfs/dbraw/zinc/76/76/73/347767673.db2.gz OCVKUIHKWWJLQG-UTLUCORTSA-N 1 3 245.392 0.453 20 0 BCADHO Cn1cncc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000401759862 347761555 /nfs/dbraw/zinc/76/15/55/347761555.db2.gz ULEHBOVGYBHGNY-MNOVXSKESA-N 1 3 222.336 0.822 20 0 BCADHO CSCC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000592475117 347791306 /nfs/dbraw/zinc/79/13/06/347791306.db2.gz QNVRZGLRQRBZGB-SECBINFHSA-N 1 3 247.408 0.510 20 0 BCADHO CC[N@H+](C)CCNC(=O)NC1CCN(C)CC1 ZINC000194835112 259398547 /nfs/dbraw/zinc/39/85/47/259398547.db2.gz SAYXUWFPXUWZNJ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[N@@H+](C)CCNC(=O)NC1CCN(C)CC1 ZINC000194835112 259398548 /nfs/dbraw/zinc/39/85/48/259398548.db2.gz SAYXUWFPXUWZNJ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362514105 187383222 /nfs/dbraw/zinc/38/32/22/187383222.db2.gz VLEHQPYDRVSMAY-LBPRGKRZSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368687386 187384378 /nfs/dbraw/zinc/38/43/78/187384378.db2.gz KLTBYFYAYIRFAK-GARJFASQSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232243 187385312 /nfs/dbraw/zinc/38/53/12/187385312.db2.gz RJCCOINWTYFPAV-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)CC1([NH3+])CC1 ZINC000404931593 490131783 /nfs/dbraw/zinc/13/17/83/490131783.db2.gz MGBDSWYBTXSENB-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCNCC1 ZINC000335106979 187393681 /nfs/dbraw/zinc/39/36/81/187393681.db2.gz DUDBGSOLAJLGBH-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC(F)F)[NH+]1CCCC1 ZINC000383341382 348348486 /nfs/dbraw/zinc/34/84/86/348348486.db2.gz KQQPHOGUBWVMKQ-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)C(C)(C)N ZINC000309010430 323184227 /nfs/dbraw/zinc/18/42/27/323184227.db2.gz RQIZLAIEOPGMFP-MRVPVSSYSA-N 1 3 201.314 0.357 20 0 BCADHO CCC[C@@H](C[NH2+]CC1(O)CCN(C)CC1)OC ZINC000397698076 362900808 /nfs/dbraw/zinc/90/08/08/362900808.db2.gz ZSFNLALUKLTHHA-LBPRGKRZSA-N 1 3 244.379 0.848 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902933 348395024 /nfs/dbraw/zinc/39/50/24/348395024.db2.gz IPSACSQMUQJPJG-NZEXEKPDSA-N 1 3 249.358 0.276 20 0 BCADHO N[C@@H]1C[C@@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902933 348395025 /nfs/dbraw/zinc/39/50/25/348395025.db2.gz IPSACSQMUQJPJG-NZEXEKPDSA-N 1 3 249.358 0.276 20 0 BCADHO N[C@@H]1C[C@H]2C[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902932 348395045 /nfs/dbraw/zinc/39/50/45/348395045.db2.gz IPSACSQMUQJPJG-FPYNETTCSA-N 1 3 249.358 0.276 20 0 BCADHO N[C@@H]1C[C@H]2C[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CCN2C1=O ZINC000595902932 348395048 /nfs/dbraw/zinc/39/50/48/348395048.db2.gz IPSACSQMUQJPJG-FPYNETTCSA-N 1 3 249.358 0.276 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000070318089 323186503 /nfs/dbraw/zinc/18/65/03/323186503.db2.gz OLNPJNCRIZTQQD-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)CNC1CC1 ZINC000054133656 348892284 /nfs/dbraw/zinc/89/22/84/348892284.db2.gz UNRSEIQRCZZLJS-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)CNC1CC1 ZINC000054133656 348892286 /nfs/dbraw/zinc/89/22/86/348892286.db2.gz UNRSEIQRCZZLJS-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)NC)CC1 ZINC000054072865 348888578 /nfs/dbraw/zinc/88/85/78/348888578.db2.gz MHHGKOBZXVQZPG-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054074462 348889600 /nfs/dbraw/zinc/88/96/00/348889600.db2.gz DAKCGJDQNXMKIX-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000054074462 348889602 /nfs/dbraw/zinc/88/96/02/348889602.db2.gz DAKCGJDQNXMKIX-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000399248333 323201720 /nfs/dbraw/zinc/20/17/20/323201720.db2.gz LKZJRAKUASSFKW-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623513898 362939343 /nfs/dbraw/zinc/93/93/43/362939343.db2.gz QYEDQRUGOSRFEM-NWDGAFQWSA-N 1 3 244.379 0.846 20 0 BCADHO COCC[C@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513898 362939347 /nfs/dbraw/zinc/93/93/47/362939347.db2.gz QYEDQRUGOSRFEM-NWDGAFQWSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]1CCN(CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000253238139 349229557 /nfs/dbraw/zinc/22/95/57/349229557.db2.gz PTKYRODKOMMLAX-QWHCGFSZSA-N 1 3 241.379 0.235 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000252123952 349196748 /nfs/dbraw/zinc/19/67/48/349196748.db2.gz LEAFDMPDRAXVEF-RHYQMDGZSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN(C)C1CC1 ZINC000059931518 349259776 /nfs/dbraw/zinc/25/97/76/349259776.db2.gz WXVNAMBSCHGTSA-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO CCO[C@@H]1CN(CCCCOC)C[C@H]1C[NH3+] ZINC000405889071 490245462 /nfs/dbraw/zinc/24/54/62/490245462.db2.gz WHGABGLUJVZPAY-VXGBXAGGSA-N 1 3 230.352 0.709 20 0 BCADHO COC(=O)[C@@]1(C)C[N@H+](CC(C)(C)N)C[C@@H]1C ZINC000602018443 349417988 /nfs/dbraw/zinc/41/79/88/349417988.db2.gz CALNACDMDFHTTQ-CABZTGNLSA-N 1 3 228.336 0.855 20 0 BCADHO COC(=O)[C@@]1(C)C[N@@H+](CC(C)(C)N)C[C@@H]1C ZINC000602018443 349417990 /nfs/dbraw/zinc/41/79/90/349417990.db2.gz CALNACDMDFHTTQ-CABZTGNLSA-N 1 3 228.336 0.855 20 0 BCADHO COC(=O)[C@@]1(C)CN(CCC[NH3+])C[C@@H]1C ZINC000602020454 349418916 /nfs/dbraw/zinc/41/89/16/349418916.db2.gz LICGKBZKZYGXLK-ONGXEEELSA-N 1 3 214.309 0.466 20 0 BCADHO COC(=O)[C@@]1(C)C[N@H+](CCCN)C[C@@H]1C ZINC000602020454 349418921 /nfs/dbraw/zinc/41/89/21/349418921.db2.gz LICGKBZKZYGXLK-ONGXEEELSA-N 1 3 214.309 0.466 20 0 BCADHO COC(=O)[C@@]1(C)C[N@@H+](CCCN)C[C@@H]1C ZINC000602020454 349418925 /nfs/dbraw/zinc/41/89/25/349418925.db2.gz LICGKBZKZYGXLK-ONGXEEELSA-N 1 3 214.309 0.466 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563103440 350057179 /nfs/dbraw/zinc/05/71/79/350057179.db2.gz XIPYCHNHQDRVIN-JLLWLGSASA-N 1 3 237.347 0.480 20 0 BCADHO CCCNC(=O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422728363 192444728 /nfs/dbraw/zinc/44/47/28/192444728.db2.gz FYRFVDFOVVCCTO-NEPJUHHUSA-N 1 3 241.379 0.880 20 0 BCADHO CN(C)CCN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637014511 350140121 /nfs/dbraw/zinc/14/01/21/350140121.db2.gz GKRJKHBSLHLPMK-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO Cc1cnn(CCN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000304447521 350153842 /nfs/dbraw/zinc/15/38/42/350153842.db2.gz WUOPUHLVBVQCNY-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000428441431 191073018 /nfs/dbraw/zinc/07/30/18/191073018.db2.gz VYKAOQSZUBUYSV-GRYCIOLGSA-N 1 3 239.363 0.680 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428442527 191073615 /nfs/dbraw/zinc/07/36/15/191073615.db2.gz UOTADDVEUPMKND-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C)[NH+](C)C ZINC000068064574 350188793 /nfs/dbraw/zinc/18/87/93/350188793.db2.gz IXHUBAHZWRETDM-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@H](C)N(CCO)C[C@H](O)C[N@H+](C)CC ZINC000309225865 350212815 /nfs/dbraw/zinc/21/28/15/350212815.db2.gz HOFVIKXAKWQEIK-NWDGAFQWSA-N 1 3 232.368 0.392 20 0 BCADHO CC[C@H](C)N(CCO)C[C@H](O)C[N@@H+](C)CC ZINC000309225865 350212817 /nfs/dbraw/zinc/21/28/17/350212817.db2.gz HOFVIKXAKWQEIK-NWDGAFQWSA-N 1 3 232.368 0.392 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427604379 191083660 /nfs/dbraw/zinc/08/36/60/191083660.db2.gz PBJYPOAVNGOWLW-OUAUKWLOSA-N 1 3 227.352 0.618 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000426433319 191083690 /nfs/dbraw/zinc/08/36/90/191083690.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000426433319 191083692 /nfs/dbraw/zinc/08/36/92/191083692.db2.gz NOBLTZOIKVBPRY-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO C[N@H+]1C[C@H]2CN(CCC(C)(C)O)C[C@H]2C1 ZINC000365520040 350326986 /nfs/dbraw/zinc/32/69/86/350326986.db2.gz XHMQJORMSDIKSA-PHIMTYICSA-N 1 3 212.337 0.641 20 0 BCADHO C[N@@H+]1C[C@H]2CN(CCC(C)(C)O)C[C@H]2C1 ZINC000365520040 350326987 /nfs/dbraw/zinc/32/69/87/350326987.db2.gz XHMQJORMSDIKSA-PHIMTYICSA-N 1 3 212.337 0.641 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000168720265 535127107 /nfs/dbraw/zinc/12/71/07/535127107.db2.gz WUWCFGRNKAKNTE-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000168720265 535127113 /nfs/dbraw/zinc/12/71/13/535127113.db2.gz WUWCFGRNKAKNTE-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000069839642 350414748 /nfs/dbraw/zinc/41/47/48/350414748.db2.gz RQRPCJIJIUVPQI-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000309301873 323341608 /nfs/dbraw/zinc/34/16/08/323341608.db2.gz UGACKZJWHLSCOT-AEJSXWLSSA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)C ZINC000262187235 535131706 /nfs/dbraw/zinc/13/17/06/535131706.db2.gz ZKERIBJVXGVVPZ-WCQYABFASA-N 1 3 241.379 0.770 20 0 BCADHO CCC[NH+]1CCC(NC[C@@H](O)COC)CC1 ZINC000070558913 350537850 /nfs/dbraw/zinc/53/78/50/350537850.db2.gz REOKDOMBTXZANJ-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CN1CC[C@@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000070583869 350543951 /nfs/dbraw/zinc/54/39/51/350543951.db2.gz SBCSBPHSZMJWIF-GHMZBOCLSA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248597466 191108882 /nfs/dbraw/zinc/10/88/82/191108882.db2.gz IJORVWYXHBXQSA-SRVKXCTJSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000309452919 323410462 /nfs/dbraw/zinc/41/04/62/323410462.db2.gz MYYQJIYFBMGOKO-UTLUCORTSA-N 1 3 213.325 0.084 20 0 BCADHO CCN(C)C(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000570964172 350668060 /nfs/dbraw/zinc/66/80/60/350668060.db2.gz FYZBIEDXDWVYOK-LBPRGKRZSA-N 1 3 227.352 0.572 20 0 BCADHO CCOC[C@H]1CCCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000577617929 366019322 /nfs/dbraw/zinc/01/93/22/366019322.db2.gz TWMAUWOZBIJION-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H]1CCC[N@H+](C[C@](C)(O)CNC)C1 ZINC000577617929 366019323 /nfs/dbraw/zinc/01/93/23/366019323.db2.gz TWMAUWOZBIJION-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H]1CCC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000577617929 366019333 /nfs/dbraw/zinc/01/93/33/366019333.db2.gz TWMAUWOZBIJION-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398051670 362993532 /nfs/dbraw/zinc/99/35/32/362993532.db2.gz ASCIDUBSHXANJL-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO COc1ccc([C@@H]2CNCCN2CC[NH3+])cc1 ZINC000616635279 351119485 /nfs/dbraw/zinc/11/94/85/351119485.db2.gz BQFNFOHCRALEJW-ZDUSSCGKSA-N 1 3 235.331 0.600 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079520755 351071091 /nfs/dbraw/zinc/07/10/91/351071091.db2.gz FASPUJVCHKVRFO-ZDUSSCGKSA-N 1 3 241.379 0.929 20 0 BCADHO COCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000380187335 351381181 /nfs/dbraw/zinc/38/11/81/351381181.db2.gz PLSPYENFXPVFQE-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO COCC[C@@H](C)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000380187335 351381183 /nfs/dbraw/zinc/38/11/83/351381183.db2.gz PLSPYENFXPVFQE-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000577620867 366021205 /nfs/dbraw/zinc/02/12/05/366021205.db2.gz DLLHQECPCATCSD-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CN(CC(=O)NCCC[NH3+])CC(C)(C)C ZINC000637801989 351633756 /nfs/dbraw/zinc/63/37/56/351633756.db2.gz LALKKRCNUMBBEO-UHFFFAOYSA-N 1 3 215.341 0.429 20 0 BCADHO CN(CC(=O)N1CC[C@@H]([NH3+])C1)CC(C)(C)C ZINC000637802418 351635472 /nfs/dbraw/zinc/63/54/72/351635472.db2.gz QXIRWBUCWUOMAO-SNVBAGLBSA-N 1 3 227.352 0.524 20 0 BCADHO C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC000637806697 351643792 /nfs/dbraw/zinc/64/37/92/351643792.db2.gz VSALIPSZYVPDGS-UHFFFAOYSA-N 1 3 229.368 0.690 20 0 BCADHO CN(CC(=O)N[C@@H]1CCC[NH2+]C1)CC(C)(C)C ZINC000637806606 351643948 /nfs/dbraw/zinc/64/39/48/351643948.db2.gz YWZFCZQXIYWKDF-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000637835350 351686450 /nfs/dbraw/zinc/68/64/50/351686450.db2.gz MJBQPDJYHIKGIR-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000637835347 351686894 /nfs/dbraw/zinc/68/68/94/351686894.db2.gz MJBQPDJYHIKGIR-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CCN[C@@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834600 351688541 /nfs/dbraw/zinc/68/85/41/351688541.db2.gz YICNFYWZAJZFGV-VHSXEESVSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H](C)N1 ZINC000637840610 351695549 /nfs/dbraw/zinc/69/55/49/351695549.db2.gz PMVJPALTVUUIQP-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H](C)N1 ZINC000637840610 351695550 /nfs/dbraw/zinc/69/55/50/351695550.db2.gz PMVJPALTVUUIQP-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](C(=O)N[C@](C)(C[NH3+])C(C)C)N(C)C ZINC000637850132 351707313 /nfs/dbraw/zinc/70/73/13/351707313.db2.gz ITFKSVRLKQCHQL-CMPLNLGQSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000637843146 351701801 /nfs/dbraw/zinc/70/18/01/351701801.db2.gz WLNPDCDXGZYDMR-ZJUUUORDSA-N 1 3 215.341 0.556 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000637821446 351665970 /nfs/dbraw/zinc/66/59/70/351665970.db2.gz BLQJIQLKKTWDIL-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822571 351667488 /nfs/dbraw/zinc/66/74/88/351667488.db2.gz LCXDIABYOARGCC-MNOVXSKESA-N 1 3 227.352 0.557 20 0 BCADHO CCN[C@@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000637828138 351671720 /nfs/dbraw/zinc/67/17/20/351671720.db2.gz CCMIBHIVEMCBMA-JTQLQIEISA-N 1 3 215.341 0.489 20 0 BCADHO C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC000637826682 351674161 /nfs/dbraw/zinc/67/41/61/351674161.db2.gz WNBDUZASHAQWGB-UHFFFAOYSA-N 1 3 215.341 0.300 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000577731782 366046738 /nfs/dbraw/zinc/04/67/38/366046738.db2.gz SHNJXIZLPIGXKQ-DTWKUNHWSA-N 1 3 249.305 0.699 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000577731832 366046770 /nfs/dbraw/zinc/04/67/70/366046770.db2.gz VMIQDQLNCBEUDH-DCAQKATOSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2OCC[C@@H]2N)cc1 ZINC000637857989 351718586 /nfs/dbraw/zinc/71/85/86/351718586.db2.gz WBSAOBOYBAZUHW-JFUSQASVSA-N 1 3 249.314 0.761 20 0 BCADHO CC1(C)CNCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637856413 351715426 /nfs/dbraw/zinc/71/54/26/351715426.db2.gz AYCUSYMFCLTVLP-JTQLQIEISA-N 1 3 223.320 0.244 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000626986979 363089330 /nfs/dbraw/zinc/08/93/30/363089330.db2.gz SVMCTMARFMMRSZ-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN1CC ZINC000638047434 351926567 /nfs/dbraw/zinc/92/65/67/351926567.db2.gz HNNXLYMZAPJZRO-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638049841 351927128 /nfs/dbraw/zinc/92/71/28/351927128.db2.gz OZHWCLXCMMLBGU-NEPJUHHUSA-N 1 3 237.347 0.634 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)NCCN2CCCC2)C1 ZINC000638055273 351930361 /nfs/dbraw/zinc/93/03/61/351930361.db2.gz HISSMURMJNGDAB-NSHDSACASA-N 1 3 223.320 0.246 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000638068047 351938144 /nfs/dbraw/zinc/93/81/44/351938144.db2.gz ALQOGZUEHHGHME-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000638071078 351943851 /nfs/dbraw/zinc/94/38/51/351943851.db2.gz ZSIIGIZUIVIOAM-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638085532 351962422 /nfs/dbraw/zinc/96/24/22/351962422.db2.gz MGZDSVHGXYTPPQ-CMPLNLGQSA-N 1 3 237.347 0.492 20 0 BCADHO CCCCN(C)CCNC(=O)CCC1C[NH2+]C1 ZINC000638089367 351966140 /nfs/dbraw/zinc/96/61/40/351966140.db2.gz PUTONWMBIRHMMG-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000638093133 351971856 /nfs/dbraw/zinc/97/18/56/351971856.db2.gz BOOVQHQVJWTNCV-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000638094338 351974600 /nfs/dbraw/zinc/97/46/00/351974600.db2.gz HKBJALLZVGABOM-OLZOCXBDSA-N 1 3 249.358 0.731 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000638151186 352012177 /nfs/dbraw/zinc/01/21/77/352012177.db2.gz ARZPSVKDWWVJQL-GHMZBOCLSA-N 1 3 227.352 0.603 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000638098318 351977826 /nfs/dbraw/zinc/97/78/26/351977826.db2.gz BLWDHLXHMICNKB-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCCN1CC ZINC000638099655 351979598 /nfs/dbraw/zinc/97/95/98/351979598.db2.gz CWSQONBTUPTTSR-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000638099644 351979709 /nfs/dbraw/zinc/97/97/09/351979709.db2.gz IHNCOKFFUPMEKK-CHWSQXEVSA-N 1 3 249.358 0.634 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000638100249 351981022 /nfs/dbraw/zinc/98/10/22/351981022.db2.gz LNQBVLCPCHTVNF-CMPLNLGQSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000638121802 351995075 /nfs/dbraw/zinc/99/50/75/351995075.db2.gz HJVZTXXRUORSFD-TUAOUCFPSA-N 1 3 241.379 0.926 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000638199100 352062856 /nfs/dbraw/zinc/06/28/56/352062856.db2.gz HCNOWGWUWFHSOV-ZJUUUORDSA-N 1 3 236.319 0.647 20 0 BCADHO C[C@H]1NCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC000638203472 352064006 /nfs/dbraw/zinc/06/40/06/352064006.db2.gz GDIFDMNWSQRAFY-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000638201944 352066617 /nfs/dbraw/zinc/06/66/17/352066617.db2.gz NOLLYNXXVTXHSW-OPRDCNLKSA-N 1 3 213.325 0.099 20 0 BCADHO CCN[C@@H](C)C(=O)NC1(C)CC[NH2+]CC1 ZINC000638206251 352067922 /nfs/dbraw/zinc/06/79/22/352067922.db2.gz KCSXCJCJDMYUHH-VIFPVBQESA-N 1 3 213.325 0.243 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH3+] ZINC000638153158 352017432 /nfs/dbraw/zinc/01/74/32/352017432.db2.gz CQVLSMAXZVCZIE-SSDOTTSWSA-N 1 3 210.281 0.114 20 0 BCADHO CN(CC(=O)NC[C@H]([NH3+])C1CC1)CC(C)(C)C ZINC000638156344 352019890 /nfs/dbraw/zinc/01/98/90/352019890.db2.gz YUJGYZIQZBMZGU-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000638158394 352022349 /nfs/dbraw/zinc/02/23/49/352022349.db2.gz ZSXAVZPPJPECMH-SRVKXCTJSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000638160753 352025749 /nfs/dbraw/zinc/02/57/49/352025749.db2.gz JUQSDIYFSJNMLU-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000638175734 352041468 /nfs/dbraw/zinc/04/14/68/352041468.db2.gz LHPRRKMDRCWZAT-LBPRGKRZSA-N 1 3 239.363 0.786 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638235954 352086962 /nfs/dbraw/zinc/08/69/62/352086962.db2.gz SPBSVCACAGOGIE-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH3+] ZINC000638243265 352090688 /nfs/dbraw/zinc/09/06/88/352090688.db2.gz MQSRINSITNMOQH-SECBINFHSA-N 1 3 238.335 0.894 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000638248952 352095490 /nfs/dbraw/zinc/09/54/90/352095490.db2.gz WGCAICKFXLAEPV-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638254866 352098098 /nfs/dbraw/zinc/09/80/98/352098098.db2.gz IZLVKFGUONKNCE-ZJUUUORDSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000638257727 352101547 /nfs/dbraw/zinc/10/15/47/352101547.db2.gz VXGCRAXGBMYKMP-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)N(C)C ZINC000638261115 352103800 /nfs/dbraw/zinc/10/38/00/352103800.db2.gz CIWMYRJUEBVZQU-GHMZBOCLSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CCC(C)C ZINC000638260250 352104249 /nfs/dbraw/zinc/10/42/49/352104249.db2.gz XJXDGNQKPACVCJ-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638267030 352106920 /nfs/dbraw/zinc/10/69/20/352106920.db2.gz MCKQYHGKSDTEPP-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000638271555 352109221 /nfs/dbraw/zinc/10/92/21/352109221.db2.gz XKNVRQJTPMWQSL-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000638277022 352113841 /nfs/dbraw/zinc/11/38/41/352113841.db2.gz WXWKKPYVVRMBMK-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(CCOC)CCN(C)C ZINC000638278747 352115222 /nfs/dbraw/zinc/11/52/22/352115222.db2.gz VFSFQMGLGDLCLZ-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO CC[C@H](C(=O)N[C@H](C[NH3+])C(C)(C)C)N(C)C ZINC000638333352 352151536 /nfs/dbraw/zinc/15/15/36/352151536.db2.gz QDOBTPLMWOPHAQ-NXEZZACHSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000638356223 352168825 /nfs/dbraw/zinc/16/88/25/352168825.db2.gz YLZABZNOUYADAL-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C(=O)NC(C)(C)CC[NH3+])N(C)C ZINC000638356224 352169197 /nfs/dbraw/zinc/16/91/97/352169197.db2.gz YLZABZNOUYADAL-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638370730 352180905 /nfs/dbraw/zinc/18/09/05/352180905.db2.gz NCAWEVNXYPOQII-IWSPIJDZSA-N 1 3 201.314 0.226 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C ZINC000638369337 352182461 /nfs/dbraw/zinc/18/24/61/352182461.db2.gz GEDAZVMVLUEZME-OPRDCNLKSA-N 1 3 215.341 0.569 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000638375890 352186034 /nfs/dbraw/zinc/18/60/34/352186034.db2.gz JHKKRVKTKDCQAA-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)CCC(C)C ZINC000638433087 352242106 /nfs/dbraw/zinc/24/21/06/352242106.db2.gz VZPXFQYZMODCPQ-VHSXEESVSA-N 1 3 215.341 0.474 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000638426818 352235129 /nfs/dbraw/zinc/23/51/29/352235129.db2.gz HCAUSUAIWAAFIK-SNVBAGLBSA-N 1 3 238.335 0.750 20 0 BCADHO CCN[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000638394431 352200761 /nfs/dbraw/zinc/20/07/61/352200761.db2.gz UTNMWXNKCYVCNE-JTQLQIEISA-N 1 3 227.352 0.490 20 0 BCADHO CN(CC(=O)N[C@]1(C)CC[NH2+]C1)CC(C)(C)C ZINC000638440785 352246973 /nfs/dbraw/zinc/24/69/73/352246973.db2.gz QSFKIVQTXGMNAD-CYBMUJFWSA-N 1 3 241.379 0.833 20 0 BCADHO CCN(CCNC(=O)CC[NH2+]C)C1CC1 ZINC000219924650 363142571 /nfs/dbraw/zinc/14/25/71/363142571.db2.gz LSUOEFKKSGDXEE-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000638487629 352296461 /nfs/dbraw/zinc/29/64/61/352296461.db2.gz CEEJVKHXVDHLJP-IUCAKERBSA-N 1 3 249.305 0.425 20 0 BCADHO CC[C@@H](C(=O)N1CCNC[C@@H]1C(C)C)[NH+](C)C ZINC000638491411 352302406 /nfs/dbraw/zinc/30/24/06/352302406.db2.gz IDYOOALJGJLUJD-NWDGAFQWSA-N 1 3 241.379 0.783 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506907 352328556 /nfs/dbraw/zinc/32/85/56/352328556.db2.gz ZWBIYDJZWNECBN-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CCCN(C)CC(=O)N(CC)CC[NH3+] ZINC000638516632 352345297 /nfs/dbraw/zinc/34/52/97/352345297.db2.gz FTSMAWJGUSLNMX-UHFFFAOYSA-N 1 3 201.314 0.135 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000638528476 352362338 /nfs/dbraw/zinc/36/23/38/352362338.db2.gz IIQVLAGHDAFYGW-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](N)C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638546106 352376634 /nfs/dbraw/zinc/37/66/34/352376634.db2.gz AUZOBNVXHUGXAI-VIFPVBQESA-N 1 3 233.315 0.772 20 0 BCADHO NCc1cccc2c1N(C(=O)[C@H]1CC[NH2+]1)CCC2 ZINC000638545955 352376892 /nfs/dbraw/zinc/37/68/92/352376892.db2.gz XDZNLFPDQQWSCS-GFCCVEGCSA-N 1 3 245.326 0.786 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(N)CCCC1 ZINC000638567016 352393735 /nfs/dbraw/zinc/39/37/35/352393735.db2.gz HDHHNIPPRYBZMH-VHSXEESVSA-N 1 3 225.336 0.515 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000638567515 352395101 /nfs/dbraw/zinc/39/51/01/352395101.db2.gz NMKKHJKKRNINAC-AXFHLTTASA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(N)CCC1 ZINC000638572782 352401456 /nfs/dbraw/zinc/40/14/56/352401456.db2.gz YKRWEAWBVSVXIU-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)N(C)C ZINC000353448429 187720205 /nfs/dbraw/zinc/72/02/05/187720205.db2.gz MMHVKVJEOWMQER-SRVKXCTJSA-N 1 3 241.379 0.687 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638641168 352483171 /nfs/dbraw/zinc/48/31/71/352483171.db2.gz BXULFSJYAKDKSE-WYUUTHIRSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)C2(N)CCCC2)C[NH2+]1 ZINC000638654214 352496743 /nfs/dbraw/zinc/49/67/43/352496743.db2.gz KRMJUIMOFGNTDM-NXEZZACHSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C[NH2+]1 ZINC000638657774 352500633 /nfs/dbraw/zinc/50/06/33/352500633.db2.gz YLYCYRHWLHVWRP-IVZWLZJFSA-N 1 3 227.352 0.617 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638730071 352592589 /nfs/dbraw/zinc/59/25/89/352592589.db2.gz RELDJENSIIENGC-GVXVVHGQSA-N 1 3 237.347 0.196 20 0 BCADHO CN(C(=O)C[C@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000042165623 352614024 /nfs/dbraw/zinc/61/40/24/352614024.db2.gz KHFMNUNZINUWRK-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042166024 352614749 /nfs/dbraw/zinc/61/47/49/352614749.db2.gz ADJCOAZYYRTSHB-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CCN(CC)C(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514474 352653631 /nfs/dbraw/zinc/65/36/31/352653631.db2.gz DYVQDQUODBKRBC-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726725 352655390 /nfs/dbraw/zinc/65/53/90/352655390.db2.gz QCFDREIZSMTBLZ-MFKMUULPSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000044806160 352657380 /nfs/dbraw/zinc/65/73/80/352657380.db2.gz UCIVEVHYWBZIKI-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)CN(CCC1CC[NH2+]CC1)CC(N)=O ZINC000042691495 352623590 /nfs/dbraw/zinc/62/35/90/352623590.db2.gz CEVSKCWAXKXMSF-UHFFFAOYSA-N 1 3 241.379 0.819 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@H](N)c1ccccc1 ZINC000638768000 352708769 /nfs/dbraw/zinc/70/87/69/352708769.db2.gz PBEDYYRVCWSTAD-CYZMBNFOSA-N 1 3 247.342 0.943 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775358 352722328 /nfs/dbraw/zinc/72/23/28/352722328.db2.gz CSCKFOTZUKMOCB-VHSXEESVSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775593 352722334 /nfs/dbraw/zinc/72/23/34/352722334.db2.gz YBMREOBBTIAKSM-HBNTYKKESA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775592 352722434 /nfs/dbraw/zinc/72/24/34/352722434.db2.gz YBMREOBBTIAKSM-GARJFASQSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]1NCCN(C(=O)C2CC[NH2+]CC2)[C@H]1C ZINC000334212391 352810273 /nfs/dbraw/zinc/81/02/73/352810273.db2.gz RKZXPTDTDQBUGE-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](N)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803096 352976077 /nfs/dbraw/zinc/97/60/77/352976077.db2.gz DXXVRDHSNLOJIY-QMMMGPOBSA-N 1 3 235.287 0.218 20 0 BCADHO CC(C)(N)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638840501 353017143 /nfs/dbraw/zinc/01/71/43/353017143.db2.gz CUPSEPBOYINCIV-UHFFFAOYSA-N 1 3 247.342 0.686 20 0 BCADHO CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000638854892 353032101 /nfs/dbraw/zinc/03/21/01/353032101.db2.gz VQALDSLAJCAAIB-QWHCGFSZSA-N 1 3 249.358 0.587 20 0 BCADHO N[C@@H](C(=O)N1CCCCC[C@@H]([NH3+])C1)C1CCC1 ZINC000638816523 352997390 /nfs/dbraw/zinc/99/73/90/352997390.db2.gz NRRXDZUJWJNEIA-VXGBXAGGSA-N 1 3 239.363 0.844 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C(=O)CNC2CC2)C1 ZINC000638819270 352999300 /nfs/dbraw/zinc/99/93/00/352999300.db2.gz IJZNDGRNFJIOBX-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913655 353072210 /nfs/dbraw/zinc/07/22/10/353072210.db2.gz BADWNXUPZHMXMS-WYUUTHIRSA-N 1 3 237.347 0.432 20 0 BCADHO CC(C)(N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873819 353043843 /nfs/dbraw/zinc/04/38/43/353043843.db2.gz LZZJFRWKNPIDFS-GFCCVEGCSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@@H]1CN(C(=O)C2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000638895017 353055846 /nfs/dbraw/zinc/05/58/46/353055846.db2.gz QSJDCYYBXCDVEE-ZYHUDNBSSA-N 1 3 239.363 0.381 20 0 BCADHO N[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000638937219 353110334 /nfs/dbraw/zinc/11/03/34/353110334.db2.gz ITQCLHJYEGGNDK-AXFHLTTASA-N 1 3 223.320 0.077 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919163 353083727 /nfs/dbraw/zinc/08/37/27/353083727.db2.gz JTPKPDJSSSLLCH-UMNHJUIQSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)CN1CCC(C)CC1 ZINC000638930939 353092050 /nfs/dbraw/zinc/09/20/50/353092050.db2.gz ISMCOZXTWFBMMP-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638930900 353092132 /nfs/dbraw/zinc/09/21/32/353092132.db2.gz UDZURRZOVMMYRU-SRVKXCTJSA-N 1 3 237.347 0.434 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638935602 353099408 /nfs/dbraw/zinc/09/94/08/353099408.db2.gz OAHHKTSIXLCPQK-VHSXEESVSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937042 353100462 /nfs/dbraw/zinc/10/04/62/353100462.db2.gz DWMHTJOZKOHLPX-NNYUYHANSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000356392452 188065013 /nfs/dbraw/zinc/06/50/13/188065013.db2.gz QLBZGAMJKGFWJE-WRWGMCAJSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373044006 188075798 /nfs/dbraw/zinc/07/57/98/188075798.db2.gz RWVOHIQVKYIYEI-SDDRHHMPSA-N 1 3 239.363 0.570 20 0 BCADHO COc1ccccc1CNCCN1CC[NH2+]CC1 ZINC000040537890 188082868 /nfs/dbraw/zinc/08/28/68/188082868.db2.gz VULSSXPWZPDMLP-UHFFFAOYSA-N 1 3 249.358 0.690 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967247 353175134 /nfs/dbraw/zinc/17/51/34/353175134.db2.gz LHOWVNZGLMEPMA-HAQNSBGRSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357320552 188120010 /nfs/dbraw/zinc/12/00/10/188120010.db2.gz YJUCRSIBSRLXBD-NTZNESFSSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000036984194 188151837 /nfs/dbraw/zinc/15/18/37/188151837.db2.gz ILJOFXPINIVXNQ-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[NH+](CCNC(=O)CN)C(C)C ZINC000019510162 188173102 /nfs/dbraw/zinc/17/31/02/188173102.db2.gz VQGLQAMIPMAJKP-UHFFFAOYSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)[NH+](CCNC(=O)[C@@H](C)N)C(C)C ZINC000019503796 188173166 /nfs/dbraw/zinc/17/31/66/188173166.db2.gz OEEWAQSZJRUJKY-SNVBAGLBSA-N 1 3 215.341 0.569 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000019502586 188173209 /nfs/dbraw/zinc/17/32/09/188173209.db2.gz IRBLKUBDMHSQRS-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000121387111 324010374 /nfs/dbraw/zinc/01/03/74/324010374.db2.gz KQPFQVJKHMNPSU-MRVPVSSYSA-N 1 3 201.314 0.086 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364599345 188176525 /nfs/dbraw/zinc/17/65/25/188176525.db2.gz KYQSRQNDJPDTDX-LMLFDSFASA-N 1 3 239.363 0.841 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996967 353242393 /nfs/dbraw/zinc/24/23/93/353242393.db2.gz SELASMYKTIBYES-QMMMGPOBSA-N 1 3 249.305 0.747 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000294929952 188213732 /nfs/dbraw/zinc/21/37/32/188213732.db2.gz DCVCSFGHKQBHGR-LLVKDONJSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000250067200 353267514 /nfs/dbraw/zinc/26/75/14/353267514.db2.gz NPEHFRDXZYORBE-MXWKQRLJSA-N 1 3 225.336 0.243 20 0 BCADHO CCN(C)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000250094973 353267528 /nfs/dbraw/zinc/26/75/28/353267528.db2.gz XQFSPHINTJASGN-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021272 353279242 /nfs/dbraw/zinc/27/92/42/353279242.db2.gz GEVYUZODZZZQRQ-NAKRPEOUSA-N 1 3 227.352 0.746 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000250204589 353269762 /nfs/dbraw/zinc/26/97/62/353269762.db2.gz BUONTMXCURYTAB-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336559306 188230613 /nfs/dbraw/zinc/23/06/13/188230613.db2.gz DRJAFJLYVRGSSG-NWDGAFQWSA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639026131 353285867 /nfs/dbraw/zinc/28/58/67/353285867.db2.gz XSZIJIUNLAFHQC-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165323037 353299926 /nfs/dbraw/zinc/29/99/26/353299926.db2.gz YUSDQYLSNVRRIO-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165323037 353299927 /nfs/dbraw/zinc/29/99/27/353299927.db2.gz YUSDQYLSNVRRIO-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000165322925 353299937 /nfs/dbraw/zinc/29/99/37/353299937.db2.gz YUSDQYLSNVRRIO-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000165322925 353299940 /nfs/dbraw/zinc/29/99/40/353299940.db2.gz YUSDQYLSNVRRIO-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCN1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000165323067 353300036 /nfs/dbraw/zinc/30/00/36/353300036.db2.gz FSHLWTHCSNXGKC-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO C([C@@H]1CCCOC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282301 538115984 /nfs/dbraw/zinc/11/59/84/538115984.db2.gz HDJHWINSFNOYIX-QJPTWQEYSA-N 1 3 210.321 0.564 20 0 BCADHO COCCN(C)CCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000343301769 353467162 /nfs/dbraw/zinc/46/71/62/353467162.db2.gz JFKLYYRADOPARY-STQMWFEESA-N 1 3 243.395 0.494 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000192096139 353541719 /nfs/dbraw/zinc/54/17/19/353541719.db2.gz YKMNVTKAWBMLKZ-GRYCIOLGSA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192108987 353542456 /nfs/dbraw/zinc/54/24/56/353542456.db2.gz AAWDSAKXXYMWMI-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CCNC(=O)[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000192108328 353542529 /nfs/dbraw/zinc/54/25/29/353542529.db2.gz FXERRLMPWAGLDD-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO COCCCN(C)CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192120234 353544435 /nfs/dbraw/zinc/54/44/35/353544435.db2.gz KSANWLZMZJMFJR-WDEREUQCSA-N 1 3 245.367 0.054 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000193309873 353590924 /nfs/dbraw/zinc/59/09/24/353590924.db2.gz NKQBHHFIDNAJBQ-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000193545519 353600301 /nfs/dbraw/zinc/60/03/01/353600301.db2.gz ALTKNOAHQHZACR-AXFHLTTASA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)[C@@H](C(=O)NC1CC([NH+](C)C)C1)N(C)C ZINC000622009262 370661326 /nfs/dbraw/zinc/66/13/26/370661326.db2.gz PEGIDMFFKRLBCY-MCIGGMRASA-N 1 3 241.379 0.781 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000627096239 363253301 /nfs/dbraw/zinc/25/33/01/363253301.db2.gz SWIFHCUXDYBTIH-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO CC[C@H](C(=O)NC1CC([NH+](C)C)C1)N(C)C ZINC000622009027 370661097 /nfs/dbraw/zinc/66/10/97/370661097.db2.gz HFXRIPPENOBMPG-VQXHTEKXSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)N(C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000354402785 188513262 /nfs/dbraw/zinc/51/32/62/188513262.db2.gz YMHMNWQYVYCWHU-UHFFFAOYSA-N 1 3 229.368 0.783 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(CC)CC[NH3+])C1 ZINC000627117711 363283998 /nfs/dbraw/zinc/28/39/98/363283998.db2.gz WBBQXBIHIXZCBB-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CC[N@H+](C)CCCN(C)CCN(C)C ZINC000344023181 354084588 /nfs/dbraw/zinc/08/45/88/354084588.db2.gz HRSOEQDLWUHJJT-UHFFFAOYSA-N 1 3 201.358 0.822 20 0 BCADHO CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344023181 354084591 /nfs/dbraw/zinc/08/45/91/354084591.db2.gz HRSOEQDLWUHJJT-UHFFFAOYSA-N 1 3 201.358 0.822 20 0 BCADHO CC(C)[NH2+]CCCCN1CCN(CCO)CC1 ZINC000344147601 354154638 /nfs/dbraw/zinc/15/46/38/354154638.db2.gz SVTTXAIIGMZBLZ-UHFFFAOYSA-N 1 3 243.395 0.375 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734022 202010158 /nfs/dbraw/zinc/01/01/58/202010158.db2.gz LIIJDAKBMRQYJI-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000334583860 354205530 /nfs/dbraw/zinc/20/55/30/354205530.db2.gz SOEMOJRDHJFJNP-BDAKNGLRSA-N 1 3 247.289 0.242 20 0 BCADHO CNC(=O)[C@H]1CCCN(CCC[NH2+]C)C1 ZINC000232298205 363366349 /nfs/dbraw/zinc/36/63/49/363366349.db2.gz VZECSWINFVXTHI-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CNC(=O)[C@@H]1CCCN(CCC[NH2+]C)C1 ZINC000232298203 363366657 /nfs/dbraw/zinc/36/66/57/363366657.db2.gz VZECSWINFVXTHI-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO FC1(F)CNCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000334614744 354300180 /nfs/dbraw/zinc/30/01/80/354300180.db2.gz DRBVYCBUOKVIMB-QWRGUYRKSA-N 1 3 247.333 0.963 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000334614744 354300185 /nfs/dbraw/zinc/30/01/85/354300185.db2.gz DRBVYCBUOKVIMB-QWRGUYRKSA-N 1 3 247.333 0.963 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178855919 366171973 /nfs/dbraw/zinc/17/19/73/366171973.db2.gz RHUOPVYFGGCSNK-FOGDFJRCSA-N 1 3 241.379 0.946 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750227 202019526 /nfs/dbraw/zinc/01/95/26/202019526.db2.gz IBQJKFUFVUEMEG-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334659858 354456871 /nfs/dbraw/zinc/45/68/71/354456871.db2.gz HEVHZMLYXDWWMA-MNOVXSKESA-N 1 3 225.336 0.147 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000334697946 354490177 /nfs/dbraw/zinc/49/01/77/354490177.db2.gz DHNHQCWYVKZNFN-VXGBXAGGSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)CC(F)F)C1CC1 ZINC000345690768 354733149 /nfs/dbraw/zinc/73/31/49/354733149.db2.gz KXXBQJZZBMZNCM-IUCAKERBSA-N 1 3 249.305 0.425 20 0 BCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N ZINC000166026431 354811665 /nfs/dbraw/zinc/81/16/65/354811665.db2.gz XZJXJPHWHVAZMN-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)N ZINC000166026431 354811666 /nfs/dbraw/zinc/81/16/66/354811666.db2.gz XZJXJPHWHVAZMN-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NCCC[NH3+] ZINC000232808943 363384265 /nfs/dbraw/zinc/38/42/65/363384265.db2.gz LLBWJDPRZPSWBY-SECBINFHSA-N 1 3 213.325 0.230 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NCCC[NH3+] ZINC000232932123 363389533 /nfs/dbraw/zinc/38/95/33/363389533.db2.gz LLBWJDPRZPSWBY-VIFPVBQESA-N 1 3 213.325 0.230 20 0 BCADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)C[C@H](C)O ZINC000398644111 363393332 /nfs/dbraw/zinc/39/33/32/363393332.db2.gz WANSXFPBASAWFQ-FRRDWIJNSA-N 1 3 244.379 0.440 20 0 BCADHO Cc1ccc(CCCNC[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000345999679 354836259 /nfs/dbraw/zinc/83/62/59/354836259.db2.gz WQNUBHKZXZWDRG-ZIAGYGMSSA-N 1 3 249.358 0.493 20 0 BCADHO C[C@H](NCC12CC(C1)CO2)[C@@H]1CC[NH2+]C1 ZINC000530217805 324535086 /nfs/dbraw/zinc/53/50/86/324535086.db2.gz CLIFNEDPWBIRPK-UZEXVOJHSA-N 1 3 210.321 0.753 20 0 BCADHO CN(CCC[NH3+])C(=O)C1(N)CC2(CCC2)C1 ZINC000659291943 491072736 /nfs/dbraw/zinc/07/27/36/491072736.db2.gz VLLMPLQEXITWEQ-UHFFFAOYSA-N 1 3 225.336 0.455 20 0 BCADHO CN(C)C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CCO1 ZINC000346844094 355134305 /nfs/dbraw/zinc/13/43/05/355134305.db2.gz YTCCNBGUPKFKQZ-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO CC[C@@H]1CN(CC(C)(C)[NH3+])CCN1C[C@@H](C)O ZINC000346844848 355135582 /nfs/dbraw/zinc/13/55/82/355135582.db2.gz LWQDZXSZQVDQOW-VXGBXAGGSA-N 1 3 243.395 0.501 20 0 BCADHO CC1(C)CN(C(=O)NC[C@@H]([NH3+])C2CC2)CCN1 ZINC000335240771 355152512 /nfs/dbraw/zinc/15/25/12/355152512.db2.gz PDKUCIJAIGMFJF-SNVBAGLBSA-N 1 3 240.351 0.117 20 0 BCADHO CCCCCN(CC(N)=O)CC1CC[NH2+]CC1 ZINC000346970940 355207463 /nfs/dbraw/zinc/20/74/63/355207463.db2.gz GNYDQKXKRUWBSZ-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000346966095 355173446 /nfs/dbraw/zinc/17/34/46/355173446.db2.gz DFNNYBYBTJLFTM-LLVKDONJSA-N 1 3 237.351 0.727 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000346966095 355173450 /nfs/dbraw/zinc/17/34/50/355173450.db2.gz DFNNYBYBTJLFTM-LLVKDONJSA-N 1 3 237.351 0.727 20 0 BCADHO NC(=O)C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000347002295 355200666 /nfs/dbraw/zinc/20/06/66/355200666.db2.gz ITEJVSYYUJIXGT-RYUDHWBXSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000347002295 355200667 /nfs/dbraw/zinc/20/06/67/355200667.db2.gz ITEJVSYYUJIXGT-RYUDHWBXSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000347002295 355200668 /nfs/dbraw/zinc/20/06/68/355200668.db2.gz ITEJVSYYUJIXGT-RYUDHWBXSA-N 1 3 239.363 0.573 20 0 BCADHO CC[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513507 355250225 /nfs/dbraw/zinc/25/02/25/355250225.db2.gz UDNHERKTVFTECZ-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C)CC[C@@H]1C ZINC000335288092 355258229 /nfs/dbraw/zinc/25/82/29/355258229.db2.gz LAGCQBROKFVYKJ-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO O[C@H]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623748934 355297285 /nfs/dbraw/zinc/29/72/85/355297285.db2.gz OJWXEDZOSYKUIN-NDBYEHHHSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623748934 355297289 /nfs/dbraw/zinc/29/72/89/355297289.db2.gz OJWXEDZOSYKUIN-NDBYEHHHSA-N 1 3 224.348 0.974 20 0 BCADHO COc1ccccc1[C@H]1CNCCN1CCC[NH3+] ZINC000414734828 191556734 /nfs/dbraw/zinc/55/67/34/191556734.db2.gz LGFPDYZLFUXZBI-CYBMUJFWSA-N 1 3 249.358 0.990 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000349950912 355534639 /nfs/dbraw/zinc/53/46/39/355534639.db2.gz KQGABVQDCRJQBE-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)CC[NH3+])N(CC)CC ZINC000349967550 355546762 /nfs/dbraw/zinc/54/67/62/355546762.db2.gz UGJKGCJQWUQUDY-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC1CC1 ZINC000112332701 181198876 /nfs/dbraw/zinc/19/88/76/181198876.db2.gz HVBDGFPKGVLCJU-WDEREUQCSA-N 1 3 238.335 0.126 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)CC[NH3+])N(CC)CC ZINC000349967549 355547013 /nfs/dbraw/zinc/54/70/13/355547013.db2.gz UGJKGCJQWUQUDY-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CN)C[C@H]1C ZINC000335840528 355584108 /nfs/dbraw/zinc/58/41/08/355584108.db2.gz NOUYRNHHXIAQIU-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CN)C[C@H]1C ZINC000335840528 355584112 /nfs/dbraw/zinc/58/41/12/355584112.db2.gz NOUYRNHHXIAQIU-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000349984341 355569959 /nfs/dbraw/zinc/56/99/59/355569959.db2.gz DCOUWQNABKRDJC-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)CC(F)F)[C@@H](C)CN1 ZINC000583565518 355647814 /nfs/dbraw/zinc/64/78/14/355647814.db2.gz BKFOTGCODNCZQG-GJMOJQLCSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)[C@@H](C)CN1 ZINC000583565518 355647816 /nfs/dbraw/zinc/64/78/16/355647816.db2.gz BKFOTGCODNCZQG-GJMOJQLCSA-N 1 3 235.278 0.178 20 0 BCADHO CC[NH+](CC)[C@@H](C)CNC(=O)NCCN(C)C ZINC000350732703 355752771 /nfs/dbraw/zinc/75/27/71/355752771.db2.gz RPMBPWIRYFNMFP-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO CC(C)(O)C[NH+]1CCC(N[C@H]2C[C@H](O)C2)CC1 ZINC000639335631 355767462 /nfs/dbraw/zinc/76/74/62/355767462.db2.gz WDIGQEFKDLPIED-HAQNSBGRSA-N 1 3 242.363 0.335 20 0 BCADHO CC(C)(C)N1CCC([NH+](CCO)CCO)CC1 ZINC000628369844 355878347 /nfs/dbraw/zinc/87/83/47/355878347.db2.gz FQPCWEFMINLRGC-UHFFFAOYSA-N 1 3 244.379 0.536 20 0 BCADHO NC(=O)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000043493496 181216019 /nfs/dbraw/zinc/21/60/19/181216019.db2.gz ZQJQDOUXUFMOJC-SNVBAGLBSA-N 1 3 225.336 0.183 20 0 BCADHO NC(=O)C1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000043493496 181216021 /nfs/dbraw/zinc/21/60/21/181216021.db2.gz ZQJQDOUXUFMOJC-SNVBAGLBSA-N 1 3 225.336 0.183 20 0 BCADHO [NH3+][C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000336059649 134067527 /nfs/dbraw/zinc/06/75/27/134067527.db2.gz XAPFYMJUNYQTOA-CYBMUJFWSA-N 1 3 245.326 0.853 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418005062 191951602 /nfs/dbraw/zinc/95/16/02/191951602.db2.gz OYYAFTFSVZBKEY-GARJFASQSA-N 1 3 242.367 0.506 20 0 BCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000617551740 356107773 /nfs/dbraw/zinc/10/77/73/356107773.db2.gz YHDRZQGIYSGOQP-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000617551740 356107774 /nfs/dbraw/zinc/10/77/74/356107774.db2.gz YHDRZQGIYSGOQP-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351745965 356078880 /nfs/dbraw/zinc/07/88/80/356078880.db2.gz DESLHMPHWOMHPE-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351745962 356079300 /nfs/dbraw/zinc/07/93/00/356079300.db2.gz DESLHMPHWOMHPE-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351771641 356082940 /nfs/dbraw/zinc/08/29/40/356082940.db2.gz VTKWCRZHPKLIGK-AXFHLTTASA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000584352295 356092496 /nfs/dbraw/zinc/09/24/96/356092496.db2.gz LAGKJCJKYFVSGU-WZRBSPASSA-N 1 3 249.358 0.798 20 0 BCADHO C[NH2+]CCCNC(=O)N1CCN(C)CC[C@H]1C ZINC000418306610 192021290 /nfs/dbraw/zinc/02/12/90/192021290.db2.gz KOMGZUURSWXACM-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CCN1CCCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000331922746 356204922 /nfs/dbraw/zinc/20/49/22/356204922.db2.gz VJWSLMOMPGDWJS-NSHDSACASA-N 1 3 242.367 0.318 20 0 BCADHO CC(C)OC(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420299671 192207455 /nfs/dbraw/zinc/20/74/55/192207455.db2.gz BGFVJVVUQSUFBK-SDDRHHMPSA-N 1 3 240.347 0.997 20 0 BCADHO CC1(C)CN(C(=O)N[C@H]2CCC[NH2+]C2)CCN1 ZINC000333742106 356304431 /nfs/dbraw/zinc/30/44/31/356304431.db2.gz XSKKZBZWLHNBBE-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO CCCN(C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617751762 356310958 /nfs/dbraw/zinc/31/09/58/356310958.db2.gz CGUYRWAGFRYXND-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CC[C@H](C(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000617755118 356313956 /nfs/dbraw/zinc/31/39/56/356313956.db2.gz IFIGXACUMZBHMT-WDEREUQCSA-N 1 3 229.368 0.783 20 0 BCADHO CCN(C)C(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420294129 192202639 /nfs/dbraw/zinc/20/26/39/192202639.db2.gz SLIWOBNOTXABAX-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCOC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000420291930 192202805 /nfs/dbraw/zinc/20/28/05/192202805.db2.gz OPFFSRDJMUQDAM-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO CCOC(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000420293555 192202895 /nfs/dbraw/zinc/20/28/95/192202895.db2.gz RGBGYLVCDSPYJU-NSHDSACASA-N 1 3 214.309 0.657 20 0 BCADHO CC[C@H](C(N)=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338210 192216564 /nfs/dbraw/zinc/21/65/64/192216564.db2.gz XNGFBNQYWAVMRA-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(CCN[C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353396 192217626 /nfs/dbraw/zinc/21/76/26/192217626.db2.gz BUZZADHEZVKPKP-VXGBXAGGSA-N 1 3 243.395 0.670 20 0 BCADHO CCOC(=O)[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000420353692 192218487 /nfs/dbraw/zinc/21/84/87/192218487.db2.gz BXBCEOHNKCRNGS-NSHDSACASA-N 1 3 244.335 0.237 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000420309691 192210668 /nfs/dbraw/zinc/21/06/68/192210668.db2.gz FBOOAVCIVIXEDD-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000420309691 192210671 /nfs/dbraw/zinc/21/06/71/192210671.db2.gz FBOOAVCIVIXEDD-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000420309691 192210674 /nfs/dbraw/zinc/21/06/74/192210674.db2.gz FBOOAVCIVIXEDD-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)C(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420371524 192227808 /nfs/dbraw/zinc/22/78/08/192227808.db2.gz XBDGTQAHQIDMPC-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CCN(C)C(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420371524 192227810 /nfs/dbraw/zinc/22/78/10/192227810.db2.gz XBDGTQAHQIDMPC-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO COC(=O)CCCN[C@](C)(C[NH3+])C(C)C ZINC000420327275 192228837 /nfs/dbraw/zinc/22/88/37/192228837.db2.gz YBSLVXLALKUNEV-LLVKDONJSA-N 1 3 216.325 0.903 20 0 BCADHO CCNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329522 192228999 /nfs/dbraw/zinc/22/89/99/192228999.db2.gz OMOGCSYQJDKUAY-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCn1cccn1 ZINC000420363835 192224772 /nfs/dbraw/zinc/22/47/72/192224772.db2.gz OFSQEDDGDPLYQP-JTQLQIEISA-N 1 3 210.325 0.846 20 0 BCADHO C[NH2+]CCCN(C)CCCN1CCOCC1 ZINC000420383029 192235577 /nfs/dbraw/zinc/23/55/77/192235577.db2.gz AZYWIUXMQGKWFE-UHFFFAOYSA-N 1 3 229.368 0.250 20 0 BCADHO [NH3+]C[C@H]1CN(CC[C@H]2CCCCO2)CCCO1 ZINC000420389688 192235772 /nfs/dbraw/zinc/23/57/72/192235772.db2.gz MIIZWWZEGVSXSZ-OLZOCXBDSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@H]1C[N@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389688 192235774 /nfs/dbraw/zinc/23/57/74/192235774.db2.gz MIIZWWZEGVSXSZ-OLZOCXBDSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@H]1C[N@@H+](CC[C@H]2CCCCO2)CCCO1 ZINC000420389688 192235776 /nfs/dbraw/zinc/23/57/76/192235776.db2.gz MIIZWWZEGVSXSZ-OLZOCXBDSA-N 1 3 242.363 0.995 20 0 BCADHO CCOC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420418596 192241148 /nfs/dbraw/zinc/24/11/48/192241148.db2.gz XAHWVMOAWHTMNA-MNOVXSKESA-N 1 3 228.336 0.856 20 0 BCADHO CCOC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420378831 192232759 /nfs/dbraw/zinc/23/27/59/192232759.db2.gz QQZGTBYSMITHQR-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO CCOC(=O)CCCC[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420378831 192232761 /nfs/dbraw/zinc/23/27/61/192232761.db2.gz QQZGTBYSMITHQR-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000573322693 491092673 /nfs/dbraw/zinc/09/26/73/491092673.db2.gz ZUSBUZASAPSAIR-TUAOUCFPSA-N 1 3 239.363 0.474 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCCCC2)CCC1 ZINC000336209888 134133627 /nfs/dbraw/zinc/13/36/27/134133627.db2.gz KLOBOFHSLNOSTG-UHFFFAOYSA-N 1 3 225.336 0.646 20 0 BCADHO OCCC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639682239 356592598 /nfs/dbraw/zinc/59/25/98/356592598.db2.gz OORVWTGCQSZGAX-UHFFFAOYSA-N 1 3 235.331 0.976 20 0 BCADHO OCCC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639682239 356592601 /nfs/dbraw/zinc/59/26/01/356592601.db2.gz OORVWTGCQSZGAX-UHFFFAOYSA-N 1 3 235.331 0.976 20 0 BCADHO CC(C)[C@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761938 356680204 /nfs/dbraw/zinc/68/02/04/356680204.db2.gz IBGZQFRUPZSOOE-OLZOCXBDSA-N 1 3 244.379 0.392 20 0 BCADHO C[C@H]1CC[N@H+](CC(C)(C)O)C[C@@H]1CN ZINC000167671132 134153726 /nfs/dbraw/zinc/15/37/26/134153726.db2.gz FQHIFZZBPMDKBC-UWVGGRQHSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@H]1CC[N@@H+](CC(C)(C)O)C[C@@H]1CN ZINC000167671132 134153727 /nfs/dbraw/zinc/15/37/27/134153727.db2.gz FQHIFZZBPMDKBC-UWVGGRQHSA-N 1 3 200.326 0.674 20 0 BCADHO CCOCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762933 356687584 /nfs/dbraw/zinc/68/75/84/356687584.db2.gz PIHFUHLCBWQGBP-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000034754765 356703229 /nfs/dbraw/zinc/70/32/29/356703229.db2.gz QNCTYLPLEIVUAZ-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000034754765 356703234 /nfs/dbraw/zinc/70/32/34/356703234.db2.gz QNCTYLPLEIVUAZ-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC1(C)CN(C(=O)[C@]2(F)CCNC2)CC[C@@H]1[NH3+] ZINC000367187866 356746262 /nfs/dbraw/zinc/74/62/62/356746262.db2.gz SQZDSLYXRINYMA-CABZTGNLSA-N 1 3 243.326 0.274 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000357245508 356820418 /nfs/dbraw/zinc/82/04/18/356820418.db2.gz VDFVQQYQTLQBDF-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623373257 356882901 /nfs/dbraw/zinc/88/29/01/356882901.db2.gz YJRDYOPIXZDDFC-ZJUUUORDSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623373257 356882906 /nfs/dbraw/zinc/88/29/06/356882906.db2.gz YJRDYOPIXZDDFC-ZJUUUORDSA-N 1 3 200.326 0.830 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679576 358513026 /nfs/dbraw/zinc/51/30/26/358513026.db2.gz JXLLGZBFHVEUFR-MNOVXSKESA-N 1 3 229.368 0.818 20 0 BCADHO [NH3+]CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418114710 356953669 /nfs/dbraw/zinc/95/36/69/356953669.db2.gz MGMPILQINPHFPS-LLVKDONJSA-N 1 3 240.351 0.261 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000389615401 357004967 /nfs/dbraw/zinc/00/49/67/357004967.db2.gz GHLLRDLYWAUOMW-RKDXNWHRSA-N 1 3 201.314 0.357 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC000582359209 357103124 /nfs/dbraw/zinc/10/31/24/357103124.db2.gz XUCVTDBFJPZWHK-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CCOC(=O)CCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000610080246 357067302 /nfs/dbraw/zinc/06/73/02/357067302.db2.gz ICQZWVMYLQPKMN-VXGBXAGGSA-N 1 3 240.347 0.871 20 0 BCADHO CNC(=O)C[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000390419698 357092421 /nfs/dbraw/zinc/09/24/21/357092421.db2.gz JAEYPFWFROBRRP-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)C[C@@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000390419698 357092427 /nfs/dbraw/zinc/09/24/27/357092427.db2.gz JAEYPFWFROBRRP-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)C[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000390419697 357092495 /nfs/dbraw/zinc/09/24/95/357092495.db2.gz JAEYPFWFROBRRP-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CNC(=O)C[C@H](C)NCC[N@H+]1CC[C@H](C)C1 ZINC000390419697 357092500 /nfs/dbraw/zinc/09/25/00/357092500.db2.gz JAEYPFWFROBRRP-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000390407007 357097696 /nfs/dbraw/zinc/09/76/96/357097696.db2.gz VJQPYYAWIWLIMN-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582785159 357392548 /nfs/dbraw/zinc/39/25/48/357392548.db2.gz XBSHLKYHGCFLEF-GIPNMCIBSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583084447 357475176 /nfs/dbraw/zinc/47/51/76/357475176.db2.gz YAQQAZLSDNSLLH-MXWKQRLJSA-N 1 3 227.352 0.557 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)CCCCOC ZINC000397457824 357514586 /nfs/dbraw/zinc/51/45/86/357514586.db2.gz OEIRUWIOGYDWRG-GFCCVEGCSA-N 1 3 232.368 0.657 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)CCCCOC ZINC000397457824 357514589 /nfs/dbraw/zinc/51/45/89/357514589.db2.gz OEIRUWIOGYDWRG-GFCCVEGCSA-N 1 3 232.368 0.657 20 0 BCADHO CCC[C@H](C(=O)N1CCN[C@H](C)C1)[NH+](C)C ZINC000189004835 357600885 /nfs/dbraw/zinc/60/08/85/357600885.db2.gz WKGTXAWPENGWID-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](N)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190743327 357729817 /nfs/dbraw/zinc/72/98/17/357729817.db2.gz SRRXUKCOCCIZDL-ONGXEEELSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000086064875 357808367 /nfs/dbraw/zinc/80/83/67/357808367.db2.gz HLORIGKXXJLWDE-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000086066969 357810149 /nfs/dbraw/zinc/81/01/49/357810149.db2.gz SRNOAJDSBCWREZ-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000086068854 357815522 /nfs/dbraw/zinc/81/55/22/357815522.db2.gz PSPWIKJLYQBVMW-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO O=C1CC[C@@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC000168572401 134226968 /nfs/dbraw/zinc/22/69/68/134226968.db2.gz QHMAEPNGKSNXPF-GFCCVEGCSA-N 1 3 237.347 0.293 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@](C)(CO)C(C)C ZINC000398526127 357887497 /nfs/dbraw/zinc/88/74/97/357887497.db2.gz VPTSGEPKCSYDEL-NWDGAFQWSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@](C)(CO)C(C)C ZINC000398526127 357887501 /nfs/dbraw/zinc/88/75/01/357887501.db2.gz VPTSGEPKCSYDEL-NWDGAFQWSA-N 1 3 232.368 0.296 20 0 BCADHO C[C@H]1C[C@H](C(=O)NCCN(C)C2CC2)CC[NH2+]1 ZINC000235678326 357928127 /nfs/dbraw/zinc/92/81/27/357928127.db2.gz IXQMZZOYVCLSAY-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000584408572 357913165 /nfs/dbraw/zinc/91/31/65/357913165.db2.gz HGYUNELYNRMODO-MVWJERBFSA-N 1 3 239.363 0.748 20 0 BCADHO COC[C@](C)(CO)[NH2+]CCCN1CCCCC1 ZINC000639958521 357983831 /nfs/dbraw/zinc/98/38/31/357983831.db2.gz UNXUPAGDHKYOIG-ZDUSSCGKSA-N 1 3 244.379 0.849 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000584473254 357990435 /nfs/dbraw/zinc/99/04/35/357990435.db2.gz VHIMYNIOGKOSRX-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000584473254 357990439 /nfs/dbraw/zinc/99/04/39/357990439.db2.gz VHIMYNIOGKOSRX-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000334458323 491118893 /nfs/dbraw/zinc/11/88/93/491118893.db2.gz JVSMCMGEHPNNTC-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CCN(CCNC(=O)CC[NH2+]C1CC1)C1CC1 ZINC000219924869 358011160 /nfs/dbraw/zinc/01/11/60/358011160.db2.gz UXIBSAZXAHEEHK-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO COC(=O)CCC[N@H+](C)C1CCNCC1 ZINC000036300871 358019041 /nfs/dbraw/zinc/01/90/41/358019041.db2.gz WFYXWJWWPQYVJI-UHFFFAOYSA-N 1 3 214.309 0.623 20 0 BCADHO COC(=O)CCC[N@@H+](C)C1CCNCC1 ZINC000036300871 358019043 /nfs/dbraw/zinc/01/90/43/358019043.db2.gz WFYXWJWWPQYVJI-UHFFFAOYSA-N 1 3 214.309 0.623 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999120 358063840 /nfs/dbraw/zinc/06/38/40/358063840.db2.gz YTODLUAVJVWCBK-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO O=C(CNC1CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649673 358084756 /nfs/dbraw/zinc/08/47/56/358084756.db2.gz BPPPJKGCDSUQHM-JTQLQIEISA-N 1 3 237.347 0.339 20 0 BCADHO O=C(CNC1CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649673 358084766 /nfs/dbraw/zinc/08/47/66/358084766.db2.gz BPPPJKGCDSUQHM-JTQLQIEISA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000221635337 358101298 /nfs/dbraw/zinc/10/12/98/358101298.db2.gz DCSYDWVBKSIEFD-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000584665371 358126720 /nfs/dbraw/zinc/12/67/20/358126720.db2.gz KCXVPOPUVSSQFP-QJPTWQEYSA-N 1 3 230.352 0.633 20 0 BCADHO COC[C@](C)(O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000584665371 358126724 /nfs/dbraw/zinc/12/67/24/358126724.db2.gz KCXVPOPUVSSQFP-QJPTWQEYSA-N 1 3 230.352 0.633 20 0 BCADHO C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000223039453 358214010 /nfs/dbraw/zinc/21/40/10/358214010.db2.gz FEZLVVSPIUOKEM-GMTAPVOTSA-N 1 3 200.326 0.864 20 0 BCADHO C[NH2+]C[C@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000040601624 358242907 /nfs/dbraw/zinc/24/29/07/358242907.db2.gz OAFWLECCLFEVPE-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CNCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232482 491128505 /nfs/dbraw/zinc/12/85/05/491128505.db2.gz CBTHRVVCKBWRNQ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@@H](C)COC)C1 ZINC000226640304 358342937 /nfs/dbraw/zinc/34/29/37/358342937.db2.gz UZTBHLPWMZOPCH-MNOVXSKESA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@@H](C)COC)C1 ZINC000226640304 358342938 /nfs/dbraw/zinc/34/29/38/358342938.db2.gz UZTBHLPWMZOPCH-MNOVXSKESA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@@H](C)COC)C1 ZINC000226640304 358342939 /nfs/dbraw/zinc/34/29/39/358342939.db2.gz UZTBHLPWMZOPCH-MNOVXSKESA-N 1 3 200.326 0.810 20 0 BCADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000042308780 358346875 /nfs/dbraw/zinc/34/68/75/358346875.db2.gz KMNPAJQDDSHUGX-LBPRGKRZSA-N 1 3 227.352 0.002 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000228309876 358373604 /nfs/dbraw/zinc/37/36/04/358373604.db2.gz BANGPYYPQDYHQL-LNFKQOIKSA-N 1 3 232.393 0.958 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCCCCC1 ZINC000043605812 358384539 /nfs/dbraw/zinc/38/45/39/358384539.db2.gz MGHFBLAEUSIAPI-UHFFFAOYSA-N 1 3 227.352 0.588 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538933 358390502 /nfs/dbraw/zinc/39/05/02/358390502.db2.gz YRRBAEBKCVGKKH-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538933 358390507 /nfs/dbraw/zinc/39/05/07/358390507.db2.gz YRRBAEBKCVGKKH-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000044538949 358390746 /nfs/dbraw/zinc/39/07/46/358390746.db2.gz ORJBPYUBWUAQRZ-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@@H]1CCOC1 ZINC000219316932 134281145 /nfs/dbraw/zinc/28/11/45/134281145.db2.gz HOSRBAFHSCJIJY-VXGBXAGGSA-N 1 3 230.352 0.579 20 0 BCADHO CO[C@@H](C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219314777 134281612 /nfs/dbraw/zinc/28/16/12/134281612.db2.gz CIOXDEZEOFIFMJ-MNOVXSKESA-N 1 3 218.341 0.578 20 0 BCADHO C[C@H](NCCOCC[NH+](C)C)c1ccnn1C ZINC000219305918 134281651 /nfs/dbraw/zinc/28/16/51/134281651.db2.gz QAOQBGIRWQXIIW-NSHDSACASA-N 1 3 240.351 0.649 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044808503 358555307 /nfs/dbraw/zinc/55/53/07/358555307.db2.gz NNTYKIKJIUBFHF-JQWIXIFHSA-N 1 3 239.363 0.570 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000086271851 358573651 /nfs/dbraw/zinc/57/36/51/358573651.db2.gz ZMTSMNAXMBASTK-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO [NH3+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000131205532 358666223 /nfs/dbraw/zinc/66/62/23/358666223.db2.gz ZKKALDHEBSCLAA-ONGXEEELSA-N 1 3 229.299 0.028 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCCN1 ZINC000049559646 358695453 /nfs/dbraw/zinc/69/54/53/358695453.db2.gz VYWYJENXRJJBEP-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCCCN(CC[C@H]1CCC[NH2+]C1)CC(N)=O ZINC000051919346 358767409 /nfs/dbraw/zinc/76/74/09/358767409.db2.gz LWRRLTXNGFYKQW-GFCCVEGCSA-N 1 3 241.379 0.964 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132878611 358738032 /nfs/dbraw/zinc/73/80/32/358738032.db2.gz WIYLSNZGYAVMHG-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132878611 358738034 /nfs/dbraw/zinc/73/80/34/358738034.db2.gz WIYLSNZGYAVMHG-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000578240109 366468402 /nfs/dbraw/zinc/46/84/02/366468402.db2.gz HOXJHKLGBVDTNR-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000578240109 366468409 /nfs/dbraw/zinc/46/84/09/366468409.db2.gz HOXJHKLGBVDTNR-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO COCCOCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086402446 358966977 /nfs/dbraw/zinc/96/69/77/358966977.db2.gz IKTZXWSAAMQJPN-NEPJUHHUSA-N 1 3 230.352 0.899 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCCn2cccn2)C1 ZINC000086403566 358967446 /nfs/dbraw/zinc/96/74/46/358967446.db2.gz IXCQEDLFJKORDB-QWRGUYRKSA-N 1 3 208.309 0.743 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000578351364 366533731 /nfs/dbraw/zinc/53/37/31/366533731.db2.gz UMPITGKKBJTUAE-JQWIXIFHSA-N 1 3 228.336 0.234 20 0 BCADHO C[C@H]1CN(CCOCC[NH3+])C[C@H](C)S1 ZINC000086435821 358977103 /nfs/dbraw/zinc/97/71/03/358977103.db2.gz XFGMRRKKCNYIJT-UWVGGRQHSA-N 1 3 218.366 0.788 20 0 BCADHO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000247076693 359192745 /nfs/dbraw/zinc/19/27/45/359192745.db2.gz HRDOBUXIRUCKIB-QWHCGFSZSA-N 1 3 244.379 0.656 20 0 BCADHO CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000247076693 359192750 /nfs/dbraw/zinc/19/27/50/359192750.db2.gz HRDOBUXIRUCKIB-QWHCGFSZSA-N 1 3 244.379 0.656 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247944452 359250004 /nfs/dbraw/zinc/25/00/04/359250004.db2.gz HCXAGAROAJLFSV-VXGBXAGGSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000247944452 359250008 /nfs/dbraw/zinc/25/00/08/359250008.db2.gz HCXAGAROAJLFSV-VXGBXAGGSA-N 1 3 240.347 0.966 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C ZINC000379605830 359565190 /nfs/dbraw/zinc/56/51/90/359565190.db2.gz QAHAFEBFGZSFAP-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C ZINC000379605830 359565196 /nfs/dbraw/zinc/56/51/96/359565196.db2.gz QAHAFEBFGZSFAP-GHMZBOCLSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](CC(N)=O)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454902 359616170 /nfs/dbraw/zinc/61/61/70/359616170.db2.gz SZUJMUSPYWWFGH-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](CC(N)=O)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454902 359616172 /nfs/dbraw/zinc/61/61/72/359616172.db2.gz SZUJMUSPYWWFGH-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO COC(=O)[C@@H]1CCCN1CC1CC[NH2+]CC1 ZINC000141514771 359603802 /nfs/dbraw/zinc/60/38/02/359603802.db2.gz QWHJUWUCVOARMY-NSHDSACASA-N 1 3 226.320 0.623 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423949944 192849168 /nfs/dbraw/zinc/84/91/68/192849168.db2.gz NNOAAPLCBAEDGI-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000578356971 366537039 /nfs/dbraw/zinc/53/70/39/366537039.db2.gz NCPBRZGDNJYOBE-RNFRBKRXSA-N 1 3 223.267 0.068 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000578356970 366537171 /nfs/dbraw/zinc/53/71/71/366537171.db2.gz NCPBRZGDNJYOBE-NKWVEPMBSA-N 1 3 223.267 0.068 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)CCC[NH3+] ZINC000578442147 366569804 /nfs/dbraw/zinc/56/98/04/366569804.db2.gz AFCZGMIJJOXPNX-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO N[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000578507582 366582817 /nfs/dbraw/zinc/58/28/17/366582817.db2.gz WGZRMWBMYVLHFJ-DYEKYZERSA-N 1 3 245.326 0.555 20 0 BCADHO CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C(=O)NC ZINC000578522772 366589664 /nfs/dbraw/zinc/58/96/64/366589664.db2.gz WQJBOHXNGXJCLS-UTLUCORTSA-N 1 3 213.325 0.371 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000578524618 366590659 /nfs/dbraw/zinc/59/06/59/366590659.db2.gz LWEIALYXRIFJDQ-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612875061 360135239 /nfs/dbraw/zinc/13/52/39/360135239.db2.gz BWHGQQDWAIHYRG-ZYHUDNBSSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@H](O)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000306588950 360494750 /nfs/dbraw/zinc/49/47/50/360494750.db2.gz WGPXBAIVRMIXDW-RCWTZXSCSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@H](O)C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000306588950 360494754 /nfs/dbraw/zinc/49/47/54/360494754.db2.gz WGPXBAIVRMIXDW-RCWTZXSCSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCCN1C ZINC000626950236 360529930 /nfs/dbraw/zinc/52/99/30/360529930.db2.gz NKKRQOZNICVOBU-GARJFASQSA-N 1 3 240.351 0.130 20 0 BCADHO COC(=O)CCCC[N@@H+]1CCCNCC1 ZINC000238327002 360875983 /nfs/dbraw/zinc/87/59/83/360875983.db2.gz XNIMKGJRAMTTDK-UHFFFAOYSA-N 1 3 214.309 0.625 20 0 BCADHO COC(=O)CCCC[N@H+]1CCCNCC1 ZINC000238327002 360875987 /nfs/dbraw/zinc/87/59/87/360875987.db2.gz XNIMKGJRAMTTDK-UHFFFAOYSA-N 1 3 214.309 0.625 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407436 361056398 /nfs/dbraw/zinc/05/63/98/361056398.db2.gz ACXDNYALSGTKEW-LYIQGSDWSA-N 1 3 223.364 0.809 20 0 BCADHO [NH3+]C1(CN[C@@H]2CCCSC2)CCOCC1 ZINC000629388219 361040282 /nfs/dbraw/zinc/04/02/82/361040282.db2.gz OTUVBASBGJELPS-SNVBAGLBSA-N 1 3 230.377 0.980 20 0 BCADHO CN(C)CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424141436 200866064 /nfs/dbraw/zinc/86/60/64/200866064.db2.gz COIRBPFWKZJHTF-OLZOCXBDSA-N 1 3 247.342 0.928 20 0 BCADHO CO[C@@H](C)[C@@H](C)NCC1([NH3+])CCOCC1 ZINC000629521075 361117663 /nfs/dbraw/zinc/11/76/63/361117663.db2.gz KZLILTQILAWTFV-ZJUUUORDSA-N 1 3 216.325 0.507 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCOC2CCOCC2)C1 ZINC000629519622 361120704 /nfs/dbraw/zinc/12/07/04/361120704.db2.gz DVLDIWJCWKBQBC-VXGBXAGGSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184983 200881032 /nfs/dbraw/zinc/88/10/32/200881032.db2.gz YXFJVGNWGXUEEV-CHWFTXMASA-N 1 3 225.336 0.132 20 0 BCADHO NC1(C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000336504699 181323741 /nfs/dbraw/zinc/32/37/41/181323741.db2.gz GLZAMGLSNHEPPU-UHFFFAOYSA-N 1 3 237.347 0.470 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@H]1CCCN1C ZINC000629519872 361120422 /nfs/dbraw/zinc/12/04/22/361120422.db2.gz RRVPKEYWBUVIMU-LOWDOPEQSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@](C[NH3+])(NCCOC1CCOCC1)C1CC1 ZINC000629515581 361114473 /nfs/dbraw/zinc/11/44/73/361114473.db2.gz SWEJBAIHDUMDNK-ZDUSSCGKSA-N 1 3 242.363 0.899 20 0 BCADHO [NH3+]C1(C(=O)N2CCN3CCC[C@H]3C2)CCCC1 ZINC000037812674 181324789 /nfs/dbraw/zinc/32/47/89/181324789.db2.gz FBJVKZARVRRAPM-NSHDSACASA-N 1 3 237.347 0.565 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1cn(C)nc1C ZINC000629528707 361137466 /nfs/dbraw/zinc/13/74/66/361137466.db2.gz HFLPKUMXYHODSQ-SNVBAGLBSA-N 1 3 240.351 0.615 20 0 BCADHO CCn1cc([C@H](C)NCCOCC[NH2+]C)cn1 ZINC000629528959 361138253 /nfs/dbraw/zinc/13/82/53/361138253.db2.gz OAKGLSICXPTEEM-NSHDSACASA-N 1 3 240.351 0.790 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1ccnn1C ZINC000629530266 361144434 /nfs/dbraw/zinc/14/44/34/361144434.db2.gz BBQWXXOBWNQBKD-JTQLQIEISA-N 1 3 226.324 0.307 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1ccnn1C ZINC000629530267 361144467 /nfs/dbraw/zinc/14/44/67/361144467.db2.gz BBQWXXOBWNQBKD-SNVBAGLBSA-N 1 3 226.324 0.307 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629532591 361152413 /nfs/dbraw/zinc/15/24/13/361152413.db2.gz IEMZBVURZQCCSX-FRRDWIJNSA-N 1 3 241.379 0.424 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000629532591 361152416 /nfs/dbraw/zinc/15/24/16/361152416.db2.gz IEMZBVURZQCCSX-FRRDWIJNSA-N 1 3 241.379 0.424 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000629532592 361152864 /nfs/dbraw/zinc/15/28/64/361152864.db2.gz IEMZBVURZQCCSX-RWMBFGLXSA-N 1 3 241.379 0.424 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000629532592 361152871 /nfs/dbraw/zinc/15/28/71/361152871.db2.gz IEMZBVURZQCCSX-RWMBFGLXSA-N 1 3 241.379 0.424 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000629532744 361154469 /nfs/dbraw/zinc/15/44/69/361154469.db2.gz PKFGCALQFHNEOC-SDDRHHMPSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CN ZINC000629532744 361154471 /nfs/dbraw/zinc/15/44/71/361154471.db2.gz PKFGCALQFHNEOC-SDDRHHMPSA-N 1 3 227.352 0.034 20 0 BCADHO CC[C@H](COC)NCC1([NH3+])CCOCC1 ZINC000629521990 361121589 /nfs/dbraw/zinc/12/15/89/361121589.db2.gz UTDFTIRYSHCQNH-SNVBAGLBSA-N 1 3 216.325 0.509 20 0 BCADHO CC(C)CC[C@@H](CO)N[C@@H](C)C1C[NH2+]C1 ZINC000629523297 361124576 /nfs/dbraw/zinc/12/45/76/361124576.db2.gz LDJDFDLIRVHZPB-JQWIXIFHSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)C1CNC1 ZINC000629523297 361124580 /nfs/dbraw/zinc/12/45/80/361124580.db2.gz LDJDFDLIRVHZPB-JQWIXIFHSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000428195255 201001288 /nfs/dbraw/zinc/00/12/88/201001288.db2.gz HNJAUJLZAJBEEV-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO CCCN(C)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000428313448 201008013 /nfs/dbraw/zinc/00/80/13/201008013.db2.gz QLNHBVQRZXBAHU-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC(C)(O)C[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000579241625 366743421 /nfs/dbraw/zinc/74/34/21/366743421.db2.gz XRURSMACUXSPMT-LLVKDONJSA-N 1 3 242.363 0.445 20 0 BCADHO CC(C)(O)C[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000579241625 366743431 /nfs/dbraw/zinc/74/34/31/366743431.db2.gz XRURSMACUXSPMT-LLVKDONJSA-N 1 3 242.363 0.445 20 0 BCADHO C[C@H]([NH3+])CCN[C@H]1CCC(=O)NC1(C)C ZINC000622044848 370674093 /nfs/dbraw/zinc/67/40/93/370674093.db2.gz VCMAQNNVRNFUIK-IUCAKERBSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](N)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000622044848 370674097 /nfs/dbraw/zinc/67/40/97/370674097.db2.gz VCMAQNNVRNFUIK-IUCAKERBSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H](NCC[C@H](C)[NH3+])c1cnccc1N ZINC000622044966 370674371 /nfs/dbraw/zinc/67/43/71/370674371.db2.gz YXDBVQKZFGSQQC-DTWKUNHWSA-N 1 3 208.309 0.882 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000622044921 370678100 /nfs/dbraw/zinc/67/81/00/370678100.db2.gz XXCZAWVZCTUSIH-IQJOONFLSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](C(=O)NCCC[NH3+])N(CC)CC ZINC000428491723 201026263 /nfs/dbraw/zinc/02/62/63/201026263.db2.gz ZJUWWOHJPQEFEL-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCCN(C)CC(=O)NC1CC[NH2+]CC1 ZINC000428731726 201038980 /nfs/dbraw/zinc/03/89/80/201038980.db2.gz MKKGFRRHWUTPGY-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CCCN(C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000429112241 201068807 /nfs/dbraw/zinc/06/88/07/201068807.db2.gz ILDPTWLGRTYAMZ-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000428978121 201055071 /nfs/dbraw/zinc/05/50/71/201055071.db2.gz NLMLVSYQMKALSZ-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429141567 201073213 /nfs/dbraw/zinc/07/32/13/201073213.db2.gz KOILLEFETFHLCS-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428975273 201056114 /nfs/dbraw/zinc/05/61/14/201056114.db2.gz HENVMAJQPWKKOZ-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)NCC[C@@H](C)[NH3+])N(CC)CC ZINC000429035052 201061488 /nfs/dbraw/zinc/06/14/88/201061488.db2.gz LKLCPBWYWQTAHB-GHMZBOCLSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429101016 201065336 /nfs/dbraw/zinc/06/53/36/201065336.db2.gz VWPIFNYVKCPJIQ-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(CC)CC ZINC000429082174 201066019 /nfs/dbraw/zinc/06/60/19/201066019.db2.gz RHJBSFSLCIBXBM-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN(C)CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000429098063 201066394 /nfs/dbraw/zinc/06/63/94/201066394.db2.gz JPNOUEIKMQSVIF-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)N(CC)CC ZINC000429066478 201066648 /nfs/dbraw/zinc/06/66/48/201066648.db2.gz UMVOBXWRSIQFIK-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429104436 201067601 /nfs/dbraw/zinc/06/76/01/201067601.db2.gz OULCBUMIQJMFGQ-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](CC)N(CC)CC ZINC000429095498 201068166 /nfs/dbraw/zinc/06/81/66/201068166.db2.gz MZWAELIKCMVDTD-LLVKDONJSA-N 1 3 229.368 0.833 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429101011 201068431 /nfs/dbraw/zinc/06/84/31/201068431.db2.gz VWPIFNYVKCPJIQ-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000429454394 201109099 /nfs/dbraw/zinc/10/90/99/201109099.db2.gz TXKZJABWEKOZMS-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429554770 201113951 /nfs/dbraw/zinc/11/39/51/201113951.db2.gz CGMVEMKBCXYAJZ-FOGDFJRCSA-N 1 3 239.363 0.713 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429556876 201114322 /nfs/dbraw/zinc/11/43/22/201114322.db2.gz ZEWMPQSUWCNWRK-OLZOCXBDSA-N 1 3 244.379 0.800 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429556876 201114326 /nfs/dbraw/zinc/11/43/26/201114326.db2.gz ZEWMPQSUWCNWRK-OLZOCXBDSA-N 1 3 244.379 0.800 20 0 BCADHO N[C@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543424 361410983 /nfs/dbraw/zinc/41/09/83/361410983.db2.gz BECVGFBLDWRCDW-FRRDWIJNSA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629543424 361410990 /nfs/dbraw/zinc/41/09/90/361410990.db2.gz BECVGFBLDWRCDW-FRRDWIJNSA-N 1 3 241.379 0.303 20 0 BCADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543423 361411699 /nfs/dbraw/zinc/41/16/99/361411699.db2.gz BECVGFBLDWRCDW-AGIUHOORSA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629543423 361411701 /nfs/dbraw/zinc/41/17/01/361411701.db2.gz BECVGFBLDWRCDW-AGIUHOORSA-N 1 3 241.379 0.303 20 0 BCADHO CCCN(C)CC(=O)NCC([NH3+])(CC)CC ZINC000429661768 201124213 /nfs/dbraw/zinc/12/42/13/201124213.db2.gz XLBVKEAOATZDIS-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC1(C)CC[NH2+]CC1 ZINC000579475082 366822333 /nfs/dbraw/zinc/82/23/33/366822333.db2.gz IXTHELQBNZRDJM-SECBINFHSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629546177 361427430 /nfs/dbraw/zinc/42/74/30/361427430.db2.gz OXUHRYAHHXSKNE-UPJWGTAASA-N 1 3 241.379 0.031 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1N[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000629548502 361432542 /nfs/dbraw/zinc/43/25/42/361432542.db2.gz ZVTKXPKQDDBMCB-ZBAXXZLZSA-N 1 3 239.363 0.093 20 0 BCADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000629554681 361435148 /nfs/dbraw/zinc/43/51/48/361435148.db2.gz NDLIVJIMNJPYGU-CMPLNLGQSA-N 1 3 234.347 0.861 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629556388 361449656 /nfs/dbraw/zinc/44/96/56/361449656.db2.gz OXUHRYAHHXSKNE-AVGNSLFASA-N 1 3 241.379 0.031 20 0 BCADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555710 361448111 /nfs/dbraw/zinc/44/81/11/361448111.db2.gz BECVGFBLDWRCDW-YNEHKIRRSA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629555710 361448115 /nfs/dbraw/zinc/44/81/15/361448115.db2.gz BECVGFBLDWRCDW-YNEHKIRRSA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629556129 361448248 /nfs/dbraw/zinc/44/82/48/361448248.db2.gz KMLIQQBINDZTAG-RWMBFGLXSA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556129 361448253 /nfs/dbraw/zinc/44/82/53/361448253.db2.gz KMLIQQBINDZTAG-RWMBFGLXSA-N 1 3 241.379 0.160 20 0 BCADHO Cc1n[nH]cc1[C@H](C)NCCOCCC[NH3+] ZINC000629541924 361418541 /nfs/dbraw/zinc/41/85/41/361418541.db2.gz UEVYINQPFCTJRV-VIFPVBQESA-N 1 3 226.324 0.734 20 0 BCADHO O[C@@H](CN[C@H]1[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000629579683 361466512 /nfs/dbraw/zinc/46/65/12/361466512.db2.gz OZFVHXOOVZCCDU-WUHRBBMRSA-N 1 3 224.348 0.831 20 0 BCADHO CN(CCOCC[NH3+])CCO[C@H]1CC1(F)F ZINC000629580689 361469684 /nfs/dbraw/zinc/46/96/84/361469684.db2.gz DNZBKXBICLPYTH-VIFPVBQESA-N 1 3 238.278 0.318 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000432510982 201162213 /nfs/dbraw/zinc/16/22/13/201162213.db2.gz BNSAPEQLJIOMHQ-GRYCIOLGSA-N 1 3 241.379 0.687 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000433179520 201162644 /nfs/dbraw/zinc/16/26/44/201162644.db2.gz YJUYTPCDQPHQHX-MXWKQRLJSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C)C1)N(C)C ZINC000629612336 361498264 /nfs/dbraw/zinc/49/82/64/361498264.db2.gz CSKMZXNTKARYLD-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000629612447 361498800 /nfs/dbraw/zinc/49/88/00/361498800.db2.gz CUTIGWUFOQZFSJ-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)N(C)C ZINC000629612823 361498855 /nfs/dbraw/zinc/49/88/55/361498855.db2.gz IJWMXDOBISQJJF-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N(C)C ZINC000629612499 361498891 /nfs/dbraw/zinc/49/88/91/361498891.db2.gz DLPULAFFFLUOKT-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N(C)C ZINC000629612450 361499002 /nfs/dbraw/zinc/49/90/02/361499002.db2.gz CUTIGWUFOQZFSJ-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)N(C)C ZINC000629612464 361499209 /nfs/dbraw/zinc/49/92/09/361499209.db2.gz DCIKYSOAYMFIJY-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]C)C1)N(C)C ZINC000629610672 361499892 /nfs/dbraw/zinc/49/98/92/361499892.db2.gz DUNWZHTXGJHJRT-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NC1CC[NH2+]CC1)N(C)C ZINC000629610495 361500043 /nfs/dbraw/zinc/50/00/43/361500043.db2.gz DUMFGTMPYXPWEX-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H](C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000629610973 361500083 /nfs/dbraw/zinc/50/00/83/361500083.db2.gz KOMYHQNEYMWRKU-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC000629610483 361500458 /nfs/dbraw/zinc/50/04/58/361500458.db2.gz DSCNYTZQSJGUEH-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@H](C(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000629613013 361501075 /nfs/dbraw/zinc/50/10/75/361501075.db2.gz HOXSCYWRVKUMHC-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)N(C)C ZINC000629611736 361501399 /nfs/dbraw/zinc/50/13/99/361501399.db2.gz CXRHNIXTXZXWOW-YPMHNXCESA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](C(=O)NCC1=CC[NH2+]CC1)N(C)C ZINC000629611928 361502683 /nfs/dbraw/zinc/50/26/83/361502683.db2.gz KKFLOODBJKQFLT-NSHDSACASA-N 1 3 225.336 0.363 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000629612035 361502821 /nfs/dbraw/zinc/50/28/21/361502821.db2.gz PPYGFXCBZMWBOP-WOPDTQHZSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C ZINC000629612231 361502891 /nfs/dbraw/zinc/50/28/91/361502891.db2.gz YLXUINAYXMTUNS-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)NCC(C)(C)[NH3+])N(C)C ZINC000629614881 361504162 /nfs/dbraw/zinc/50/41/62/361504162.db2.gz PKHNGSWIDJVVSL-MRVPVSSYSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)N(C)C ZINC000629613798 361508380 /nfs/dbraw/zinc/50/83/80/361508380.db2.gz SXBIZNJXPSTPRP-JGVFFNPUSA-N 1 3 237.294 0.425 20 0 BCADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)N(C)C ZINC000629614364 361509518 /nfs/dbraw/zinc/50/95/18/361509518.db2.gz HDDRQZYAROFELA-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000629614427 361509704 /nfs/dbraw/zinc/50/97/04/361509704.db2.gz JPNGBVUOYNPKPM-GARJFASQSA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000629614553 361509715 /nfs/dbraw/zinc/50/97/15/361509715.db2.gz HVPQOKGXJJUTDS-VIFPVBQESA-N 1 3 215.341 0.522 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)CC[NH3+])N(C)C ZINC000629612265 361498053 /nfs/dbraw/zinc/49/80/53/361498053.db2.gz ZWBZDJPTFNZDSF-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000163738688 361566173 /nfs/dbraw/zinc/56/61/73/361566173.db2.gz CPASRYJVBXTINR-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000163738688 361566180 /nfs/dbraw/zinc/56/61/80/361566180.db2.gz CPASRYJVBXTINR-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000163738688 361566184 /nfs/dbraw/zinc/56/61/84/361566184.db2.gz CPASRYJVBXTINR-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000163738688 361566189 /nfs/dbraw/zinc/56/61/89/361566189.db2.gz CPASRYJVBXTINR-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)N1 ZINC000153798541 201249080 /nfs/dbraw/zinc/24/90/80/201249080.db2.gz KVZSSWXBTSTQAQ-KXUCPTDWSA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000434682310 201235234 /nfs/dbraw/zinc/23/52/34/201235234.db2.gz VUJQZIQAQDETFM-JQWIXIFHSA-N 1 3 239.363 0.809 20 0 BCADHO [NH3+]C1CCC(NC(=O)[C@H]2CCCCN2)CC1 ZINC000051694783 181341823 /nfs/dbraw/zinc/34/18/23/181341823.db2.gz WKJVHFVOADFGPE-VQXHTEKXSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000195158009 361639002 /nfs/dbraw/zinc/63/90/02/361639002.db2.gz GKTJZADZFFNCFZ-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000195158009 361639005 /nfs/dbraw/zinc/63/90/05/361639005.db2.gz GKTJZADZFFNCFZ-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+]C1CCC(NC(=O)[C@@H]2CCCCN2)CC1 ZINC000051694782 181341162 /nfs/dbraw/zinc/34/11/62/181341162.db2.gz WKJVHFVOADFGPE-ILDUYXDCSA-N 1 3 225.336 0.515 20 0 BCADHO C[NH2+]CCCN1CC[C@@H](CN2CCOCC2)C1 ZINC000435878742 201292269 /nfs/dbraw/zinc/29/22/69/201292269.db2.gz FROFKINDPQJYTN-CYBMUJFWSA-N 1 3 241.379 0.250 20 0 BCADHO C[NH2+]CCCN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000435883637 201294634 /nfs/dbraw/zinc/29/46/34/201294634.db2.gz LWXFQZQBSXSLMD-NSHDSACASA-N 1 3 237.351 0.902 20 0 BCADHO NCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364182653 181350693 /nfs/dbraw/zinc/35/06/93/181350693.db2.gz NKRBDNRILTUOIE-WDEREUQCSA-N 1 3 237.278 0.038 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC(C)(C)CN(C)C ZINC000627245433 363850987 /nfs/dbraw/zinc/85/09/87/363850987.db2.gz GQHSRHBHFZHGSM-VHSXEESVSA-N 1 3 242.367 0.376 20 0 BCADHO NCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000237968431 181351191 /nfs/dbraw/zinc/35/11/91/181351191.db2.gz BBFSKPVKHSRQOV-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653111936 541310535 /nfs/dbraw/zinc/31/05/35/541310535.db2.gz HBLHHICKVRLEQO-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CN(C)CCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604569 364328953 /nfs/dbraw/zinc/32/89/53/364328953.db2.gz BKMVEVLVKSJESN-SNVBAGLBSA-N 1 3 223.324 0.134 20 0 BCADHO [NH3+]CC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336298304 181365496 /nfs/dbraw/zinc/36/54/96/181365496.db2.gz GMFKHLCPWONUSY-GFCCVEGCSA-N 1 3 237.347 0.420 20 0 BCADHO [NH3+]CCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973478 181366246 /nfs/dbraw/zinc/36/62/46/181366246.db2.gz ORHDYLGGZZQCSW-NSHDSACASA-N 1 3 225.336 0.422 20 0 BCADHO CN1CCN(C[C@H]2CC[NH2+]C2)CC1(C)C ZINC000250806470 364659586 /nfs/dbraw/zinc/65/95/86/364659586.db2.gz RMIBTMJFYUEESC-NSHDSACASA-N 1 3 211.353 0.622 20 0 BCADHO CC(C)N1CCCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000573368580 364812053 /nfs/dbraw/zinc/81/20/53/364812053.db2.gz NPVFCLNWHTZWQU-NSHDSACASA-N 1 3 227.352 0.666 20 0 BCADHO COC[C@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000573479235 364840627 /nfs/dbraw/zinc/84/06/27/364840627.db2.gz UTCFRUGCHXGKIO-SDDRHHMPSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000573479235 364840634 /nfs/dbraw/zinc/84/06/34/364840634.db2.gz UTCFRUGCHXGKIO-SDDRHHMPSA-N 1 3 230.352 0.456 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000573488002 364845679 /nfs/dbraw/zinc/84/56/79/364845679.db2.gz MCPMLMIFBOKFJX-WEDXCCLWSA-N 1 3 201.314 0.356 20 0 BCADHO [NH3+]CCCC(=O)N1CCN(C2CCCC2)CC1 ZINC000019688027 181371521 /nfs/dbraw/zinc/37/15/21/181371521.db2.gz NIRPKOSZWFUIIN-UHFFFAOYSA-N 1 3 239.363 0.812 20 0 BCADHO [NH3+]CCCC(=O)N1CCN2CCC[C@H]2C1 ZINC000037812626 181371823 /nfs/dbraw/zinc/37/18/23/181371823.db2.gz XNYJLDFKTGFSTE-JTQLQIEISA-N 1 3 211.309 0.032 20 0 BCADHO C[C@H](CCS(C)(=O)=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573862042 364934423 /nfs/dbraw/zinc/93/44/23/364934423.db2.gz CAFJLQOAXKPNJN-OUAUKWLOSA-N 1 3 248.392 0.669 20 0 BCADHO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000573862042 364934428 /nfs/dbraw/zinc/93/44/28/364934428.db2.gz CAFJLQOAXKPNJN-OUAUKWLOSA-N 1 3 248.392 0.669 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@H](CN)c1ccccc1 ZINC000669511996 541422140 /nfs/dbraw/zinc/42/21/40/541422140.db2.gz RBGHGWBIBHVASG-GFCCVEGCSA-N 1 3 235.331 0.536 20 0 BCADHO CN[C@H](C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000574172775 365003767 /nfs/dbraw/zinc/00/37/67/365003767.db2.gz WAQIBYQTTWXAHI-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC000574204476 365009312 /nfs/dbraw/zinc/00/93/12/365009312.db2.gz HYGCVQDZZFEUBL-UHFFFAOYSA-N 1 3 235.331 0.697 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C)CC1(C)C ZINC000574581708 365095943 /nfs/dbraw/zinc/09/59/43/365095943.db2.gz PLKASUYELFGZOM-GFCCVEGCSA-N 1 3 243.395 0.325 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C)CC1(C)C ZINC000574581708 365095948 /nfs/dbraw/zinc/09/59/48/365095948.db2.gz PLKASUYELFGZOM-GFCCVEGCSA-N 1 3 243.395 0.325 20 0 BCADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)CN(C)C ZINC000554219147 325710340 /nfs/dbraw/zinc/71/03/40/325710340.db2.gz AWCHVLTXLHIVKD-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574690954 365122112 /nfs/dbraw/zinc/12/21/12/365122112.db2.gz PXTAJSHUDUOMEL-GRYCIOLGSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000157751427 193023299 /nfs/dbraw/zinc/02/32/99/193023299.db2.gz BVHONIOSPQITJS-UTUOFQBUSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000575122265 365211070 /nfs/dbraw/zinc/21/10/70/365211070.db2.gz FBNOQJRCJYOQOT-OUAUKWLOSA-N 1 3 227.352 0.474 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000575198652 365240562 /nfs/dbraw/zinc/24/05/62/365240562.db2.gz SAVGMAOLCZUZBI-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000575198652 365240565 /nfs/dbraw/zinc/24/05/65/365240565.db2.gz SAVGMAOLCZUZBI-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444166016 193039536 /nfs/dbraw/zinc/03/95/36/193039536.db2.gz AUOCLZPORVFSPF-GARJFASQSA-N 1 3 223.320 0.043 20 0 BCADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444183515 193040306 /nfs/dbraw/zinc/04/03/06/193040306.db2.gz NNLWTDPFCFBRDT-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCC[C@H](C)C1 ZINC000444191665 193040892 /nfs/dbraw/zinc/04/08/92/193040892.db2.gz XVFYDXGVKXAUFX-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO NC1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCCC1 ZINC000444262143 193042007 /nfs/dbraw/zinc/04/20/07/193042007.db2.gz JEVDZFXCMWGBHZ-LLVKDONJSA-N 1 3 239.363 0.906 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260750 193042755 /nfs/dbraw/zinc/04/27/55/193042755.db2.gz BQTWQQDKKRQDHH-PWSUYJOCSA-N 1 3 227.352 0.762 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000444269715 193043865 /nfs/dbraw/zinc/04/38/65/193043865.db2.gz MAGMWZFKCRNAIG-GARJFASQSA-N 1 3 225.336 0.289 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CN1C1CC1 ZINC000444272484 193043885 /nfs/dbraw/zinc/04/38/85/193043885.db2.gz XKAHCUHZQKEFRT-ATZCPNFKSA-N 1 3 223.320 0.090 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000575354440 365299804 /nfs/dbraw/zinc/29/98/04/365299804.db2.gz QJFZSACOUCTGJX-GMTAPVOTSA-N 1 3 227.352 0.605 20 0 BCADHO CSC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000575377976 365304678 /nfs/dbraw/zinc/30/46/78/365304678.db2.gz WSHJSTURYAUSCR-FGNRJIRKSA-N 1 3 244.404 0.925 20 0 BCADHO CSC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000575377976 365304683 /nfs/dbraw/zinc/30/46/83/365304683.db2.gz WSHJSTURYAUSCR-FGNRJIRKSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@H](CN1CCOCC1)N1CCC[C@@H](C[NH3+])C1 ZINC000575923539 365415231 /nfs/dbraw/zinc/41/52/31/365415231.db2.gz VLZIKTJCOHZRKN-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](CN1CCOCC1)N1CCC[C@H](C[NH3+])C1 ZINC000575923538 365415285 /nfs/dbraw/zinc/41/52/85/365415285.db2.gz VLZIKTJCOHZRKN-CHWSQXEVSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000575923851 365416196 /nfs/dbraw/zinc/41/61/96/365416196.db2.gz NNLHJLDZCQHOGT-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000575923851 365416201 /nfs/dbraw/zinc/41/62/01/365416201.db2.gz NNLHJLDZCQHOGT-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000575868746 365396483 /nfs/dbraw/zinc/39/64/83/365396483.db2.gz KLPFCMOZVWIHHS-STQMWFEESA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[C@@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000575868746 365396484 /nfs/dbraw/zinc/39/64/84/365396484.db2.gz KLPFCMOZVWIHHS-STQMWFEESA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000576158750 365502723 /nfs/dbraw/zinc/50/27/23/365502723.db2.gz YELOQAXMLKIRKE-UHFFFAOYSA-N 1 3 249.314 0.844 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000579714090 366989245 /nfs/dbraw/zinc/98/92/45/366989245.db2.gz VFYDRVVTPHLJRC-VIFPVBQESA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000580726685 367150812 /nfs/dbraw/zinc/15/08/12/367150812.db2.gz ZTTZAMPYQVXOFH-NEPJUHHUSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000580726688 367150851 /nfs/dbraw/zinc/15/08/51/367150851.db2.gz ZTTZAMPYQVXOFH-VXGBXAGGSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[C@H]1[NH3+] ZINC000580891974 367199381 /nfs/dbraw/zinc/19/93/81/367199381.db2.gz VDSYBHCJLMUEEQ-FBIMIBRVSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCC(N)=O)C1 ZINC000581126898 367270096 /nfs/dbraw/zinc/27/00/96/367270096.db2.gz FXEXJDRHGOEKIZ-LBPRGKRZSA-N 1 3 241.379 0.819 20 0 BCADHO CC(C)C[N@H+]1CCC[C@@H](CNCCC(N)=O)C1 ZINC000581126898 367270102 /nfs/dbraw/zinc/27/01/02/367270102.db2.gz FXEXJDRHGOEKIZ-LBPRGKRZSA-N 1 3 241.379 0.819 20 0 BCADHO CC(C)CN1CCC[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000581126898 367270110 /nfs/dbraw/zinc/27/01/10/367270110.db2.gz FXEXJDRHGOEKIZ-LBPRGKRZSA-N 1 3 241.379 0.819 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000581019570 367238972 /nfs/dbraw/zinc/23/89/72/367238972.db2.gz JGROOQMXOUYWPG-AVGNSLFASA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H]1CC[C@H](O)CC1 ZINC000581019570 367238978 /nfs/dbraw/zinc/23/89/78/367238978.db2.gz JGROOQMXOUYWPG-AVGNSLFASA-N 1 3 244.379 0.534 20 0 BCADHO NC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC1 ZINC000581071194 367252645 /nfs/dbraw/zinc/25/26/45/367252645.db2.gz MOKDMJBHPPTXBV-VIFPVBQESA-N 1 3 211.309 0.065 20 0 BCADHO FC(F)[C@@H]1CNCCN1CC[C@H]1CC[NH2+]C1 ZINC000581311180 367339225 /nfs/dbraw/zinc/33/92/25/367339225.db2.gz MAJWEXBSXPUUJV-ZJUUUORDSA-N 1 3 233.306 0.525 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000581250581 367308899 /nfs/dbraw/zinc/30/88/99/367308899.db2.gz QGVVLFNKJIEBFS-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000381354462 367386696 /nfs/dbraw/zinc/38/66/96/367386696.db2.gz CLGBUYFRONGRME-DTWKUNHWSA-N 1 3 213.325 0.310 20 0 BCADHO CNCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000381381838 367392018 /nfs/dbraw/zinc/39/20/18/367392018.db2.gz LNUKWXNQIOQRDQ-MGCOHNPYSA-N 1 3 213.325 0.087 20 0 BCADHO CNCC(=O)Nc1ccccc1C[NH2+]C ZINC000381510147 367422047 /nfs/dbraw/zinc/42/20/47/367422047.db2.gz VTNSHLWZMOEGEX-UHFFFAOYSA-N 1 3 207.277 0.564 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)[C@H](C)N)CC1 ZINC000381225913 367368138 /nfs/dbraw/zinc/36/81/38/367368138.db2.gz JVJHZBMVKCDQIB-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000382547444 367535985 /nfs/dbraw/zinc/53/59/85/367535985.db2.gz GHFLPXKSNIVANU-IJLUTSLNSA-N 1 3 230.352 0.491 20 0 BCADHO C[C@H](N(C)C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)O ZINC000382865947 367564976 /nfs/dbraw/zinc/56/49/76/367564976.db2.gz NYNSPOBPORGDDY-CMPLNLGQSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@H](N(C)C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)O ZINC000382865947 367564979 /nfs/dbraw/zinc/56/49/79/367564979.db2.gz NYNSPOBPORGDDY-CMPLNLGQSA-N 1 3 244.379 0.533 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](C)NC1CC1)C1CC1 ZINC000383329795 367613607 /nfs/dbraw/zinc/61/36/07/367613607.db2.gz KAEHSKZKHJRCNP-SNVBAGLBSA-N 1 3 239.363 0.727 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](C)NC1CC1)C1CC1 ZINC000383329795 367613612 /nfs/dbraw/zinc/61/36/12/367613612.db2.gz KAEHSKZKHJRCNP-SNVBAGLBSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](CNC(=O)[C@H](C)NC1CC1)[NH+](C)C ZINC000383359386 367617015 /nfs/dbraw/zinc/61/70/15/367617015.db2.gz MZMAQVXOTYVYIU-IUCAKERBSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC000581665747 367666013 /nfs/dbraw/zinc/66/60/13/367666013.db2.gz FEARBOWUHPQWOC-UKKRHICBSA-N 1 3 242.367 0.504 20 0 BCADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH2+]1 ZINC000384781563 367731275 /nfs/dbraw/zinc/73/12/75/367731275.db2.gz CEAOVYXCZMRNTM-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CN(CCNC(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000384779442 367731314 /nfs/dbraw/zinc/73/13/14/367731314.db2.gz APZLOXSGBHNVQO-CYBMUJFWSA-N 1 3 247.342 0.597 20 0 BCADHO CC[NH2+]CCCN[C@H]1CCC(=O)NC1(C)C ZINC000566088202 325991723 /nfs/dbraw/zinc/99/17/23/325991723.db2.gz KDESJCSMJPYLKM-JTQLQIEISA-N 1 3 227.352 0.633 20 0 BCADHO COC[C@@H](C)C[NH2+]C[C@H]1CCCNC1 ZINC000087647038 367948895 /nfs/dbraw/zinc/94/88/95/367948895.db2.gz GUVXRXVIEWWPQA-QWRGUYRKSA-N 1 3 200.326 0.858 20 0 BCADHO C[C@@H](C(=O)NCC[NH3+])[C@@H](N)c1ccccc1 ZINC000087645624 367951491 /nfs/dbraw/zinc/95/14/91/367951491.db2.gz VPYUKDVKTRFKIU-MWLCHTKSSA-N 1 3 221.304 0.397 20 0 BCADHO C[C@H]1CCN(CC(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000615505588 368080956 /nfs/dbraw/zinc/08/09/56/368080956.db2.gz HEMOUONEDYQSBL-NSHDSACASA-N 1 3 239.363 0.348 20 0 BCADHO C[C@@H](CC(N)=O)NCc1ccc(C[NH3+])cc1 ZINC000566562246 326064328 /nfs/dbraw/zinc/06/43/28/326064328.db2.gz QDJXZGLSKAFNOS-VIFPVBQESA-N 1 3 221.304 0.499 20 0 BCADHO [NH3+]C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000082259251 368661906 /nfs/dbraw/zinc/66/19/06/368661906.db2.gz HZGOJJKBUZPAGD-JTQLQIEISA-N 1 3 211.309 0.078 20 0 BCADHO CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154396658 326142602 /nfs/dbraw/zinc/14/26/02/326142602.db2.gz WZCKWVKGGRPNCP-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000309823348 326170549 /nfs/dbraw/zinc/17/05/49/326170549.db2.gz WVEWHSHMXFQGAX-AGIUHOORSA-N 1 3 225.380 0.868 20 0 BCADHO C[C@@H]1C[N@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1CN ZINC000631837271 369095206 /nfs/dbraw/zinc/09/52/06/369095206.db2.gz QMBRGXJYFHNQBJ-NOOOWODRSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCO[C@H]2C)C[C@H]1CN ZINC000631837271 369095210 /nfs/dbraw/zinc/09/52/10/369095210.db2.gz QMBRGXJYFHNQBJ-NOOOWODRSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000458756612 203194920 /nfs/dbraw/zinc/19/49/20/203194920.db2.gz KDJLADKWJXEERG-JTQLQIEISA-N 1 3 244.383 0.576 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000567683672 326244794 /nfs/dbraw/zinc/24/47/94/326244794.db2.gz UTCFRUGCHXGKIO-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000567683672 326244795 /nfs/dbraw/zinc/24/47/95/326244795.db2.gz UTCFRUGCHXGKIO-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO CN(CC[N@H+](C)CCc1cncn1C)C1CC1 ZINC000459415748 203278127 /nfs/dbraw/zinc/27/81/27/203278127.db2.gz XAVRZBSWMATHNE-UHFFFAOYSA-N 1 3 236.363 0.989 20 0 BCADHO CN(CC[N@@H+](C)CCc1cncn1C)C1CC1 ZINC000459415748 203278131 /nfs/dbraw/zinc/27/81/31/203278131.db2.gz XAVRZBSWMATHNE-UHFFFAOYSA-N 1 3 236.363 0.989 20 0 BCADHO COC(=O)C[C@@H]1CCCN1C[C@@H]1CC[NH2+]C1 ZINC000259913051 370955165 /nfs/dbraw/zinc/95/51/65/370955165.db2.gz GODONDJBEMPMLO-MNOVXSKESA-N 1 3 226.320 0.623 20 0 BCADHO CO[C@@H]1COC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000459821899 203375244 /nfs/dbraw/zinc/37/52/44/203375244.db2.gz GJZCLELUUQXCIF-QWHCGFSZSA-N 1 3 242.363 0.866 20 0 BCADHO Cn1nccc1[C@H]1CCCN(CCC[NH3+])C1 ZINC000567990593 326292552 /nfs/dbraw/zinc/29/25/52/326292552.db2.gz LQHSCEGQQQPWBA-NSHDSACASA-N 1 3 222.336 0.948 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CN(C)C(C)C)CC[NH2+]1 ZINC000621152216 370124440 /nfs/dbraw/zinc/12/44/40/370124440.db2.gz RWBQBMLYIRLPTG-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621153019 370125430 /nfs/dbraw/zinc/12/54/30/370125430.db2.gz JCMKNOFKDFBWIR-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000252852068 370137219 /nfs/dbraw/zinc/13/72/19/370137219.db2.gz IIMMJBYBGQKDOM-NAKRPEOUSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)(N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000621490959 370370614 /nfs/dbraw/zinc/37/06/14/370370614.db2.gz CAVXSZZAOVABTK-UHFFFAOYSA-N 1 3 248.330 0.468 20 0 BCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000621683864 370433752 /nfs/dbraw/zinc/43/37/52/370433752.db2.gz CUGGFKHRARXNLR-LOWVWBTDSA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621693576 370441113 /nfs/dbraw/zinc/44/11/13/370441113.db2.gz YDWKPPNDACBFIF-DGCLKSJQSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)CNC1CC1)C2 ZINC000621698528 370443957 /nfs/dbraw/zinc/44/39/57/370443957.db2.gz ZYCPYNNHYNNONE-CABZTGNLSA-N 1 3 223.320 0.078 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690549 370439269 /nfs/dbraw/zinc/43/92/69/370439269.db2.gz VVCIDAKGUUTPGH-DGCLKSJQSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)NCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000568770228 326376796 /nfs/dbraw/zinc/37/67/96/326376796.db2.gz YIUPNPZDZXVOFC-NSHDSACASA-N 1 3 225.336 0.337 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000162073684 371608376 /nfs/dbraw/zinc/60/83/76/371608376.db2.gz LZMPBGQNMXCZNP-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)C1CCN(C)CC1 ZINC000631748594 372549490 /nfs/dbraw/zinc/54/94/90/372549490.db2.gz BCDYXCHVMBCIJG-RAIGVLPGSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631823507 372602250 /nfs/dbraw/zinc/60/22/50/372602250.db2.gz GIOJSSSNXMXXOV-AXFHLTTASA-N 1 3 235.335 0.435 20 0 BCADHO C[N@H+](C[C@H]1CCc2ncnn21)C1(CN)CCC1 ZINC000631827761 372607634 /nfs/dbraw/zinc/60/76/34/372607634.db2.gz WFUJANUWIKIUNT-SNVBAGLBSA-N 1 3 235.335 0.579 20 0 BCADHO C[N@@H+](C[C@H]1CCc2ncnn21)C1(CN)CCC1 ZINC000631827761 372607635 /nfs/dbraw/zinc/60/76/35/372607635.db2.gz WFUJANUWIKIUNT-SNVBAGLBSA-N 1 3 235.335 0.579 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1CCc2ncnn21 ZINC000631827559 372607792 /nfs/dbraw/zinc/60/77/92/372607792.db2.gz QKJJMZPPDHETDZ-UWVGGRQHSA-N 1 3 237.351 0.728 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1CCCO[C@@H](C[NH3+])C1 ZINC000631828751 372608817 /nfs/dbraw/zinc/60/88/17/372608817.db2.gz XIFPKEYTYRNZGT-TUAOUCFPSA-N 1 3 228.336 0.461 20 0 BCADHO FCCC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000631836705 372624767 /nfs/dbraw/zinc/62/47/67/372624767.db2.gz FJOCAQXOZOGUEA-UHFFFAOYSA-N 1 3 243.370 0.963 20 0 BCADHO CCOCCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839191 372634009 /nfs/dbraw/zinc/63/40/09/372634009.db2.gz BQOKTBCBSJQOAW-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO CCOCCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839191 372634018 /nfs/dbraw/zinc/63/40/18/372634018.db2.gz BQOKTBCBSJQOAW-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO C[C@H]1C[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000631839704 372636994 /nfs/dbraw/zinc/63/69/94/372636994.db2.gz JTWNXBQRIPXPCI-CMPLNLGQSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000631839704 372636998 /nfs/dbraw/zinc/63/69/98/372636998.db2.gz JTWNXBQRIPXPCI-CMPLNLGQSA-N 1 3 212.337 0.940 20 0 BCADHO COCCC[NH+]1CCC(NCCO)CC1 ZINC000631861992 372663694 /nfs/dbraw/zinc/66/36/94/372663694.db2.gz CMSGSIUKEQNWBO-UHFFFAOYSA-N 1 3 216.325 0.069 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(C)(F)CC1 ZINC000631866973 372668355 /nfs/dbraw/zinc/66/83/55/372668355.db2.gz FOEXPUFOPSACTL-NSHDSACASA-N 1 3 218.316 0.781 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000631880501 372679872 /nfs/dbraw/zinc/67/98/72/372679872.db2.gz WSUMUKQSEUAJFT-CHWSQXEVSA-N 1 3 243.395 0.229 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCCNCC1 ZINC000336307018 182019632 /nfs/dbraw/zinc/01/96/32/182019632.db2.gz SNTVIAXRJYFYBQ-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000062114023 182116522 /nfs/dbraw/zinc/11/65/22/182116522.db2.gz MSYHTPLWJLTIIJ-SNVBAGLBSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)c1ccc2c(c1)CNC2 ZINC000336538623 182237690 /nfs/dbraw/zinc/23/76/90/182237690.db2.gz KESWKZXYEMEUBV-CYBMUJFWSA-N 1 3 245.326 0.772 20 0 BCADHO COCCOCCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000155884528 206072195 /nfs/dbraw/zinc/07/21/95/206072195.db2.gz YXTCKQAQXUHLQB-NWDGAFQWSA-N 1 3 230.352 0.722 20 0 BCADHO COCCOCCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000155884528 206072200 /nfs/dbraw/zinc/07/22/00/206072200.db2.gz YXTCKQAQXUHLQB-NWDGAFQWSA-N 1 3 230.352 0.722 20 0 BCADHO O=C(Nc1ccc2c(c1F)CCNC2)C1C[NH2+]C1 ZINC000367639329 182365522 /nfs/dbraw/zinc/36/55/22/182365522.db2.gz VAGBAHBHDLCQOT-UHFFFAOYSA-N 1 3 249.289 0.629 20 0 BCADHO C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H](C)N1 ZINC000178409902 134310010 /nfs/dbraw/zinc/31/00/10/134310010.db2.gz CTUAVQKKMACZPN-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000309017597 169007205 /nfs/dbraw/zinc/00/72/05/169007205.db2.gz VEGOCFMUVUXJOB-BDAKNGLRSA-N 1 3 201.314 0.215 20 0 BCADHO CCCN(C)CC(=O)NCC[N@H+](C)C(C)C ZINC000359260424 169070994 /nfs/dbraw/zinc/07/09/94/169070994.db2.gz IJCUHLPSKDXNII-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO CCCN(C)CC(=O)NCC[N@@H+](C)C(C)C ZINC000359260424 169070995 /nfs/dbraw/zinc/07/09/95/169070995.db2.gz IJCUHLPSKDXNII-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)C[NH3+] ZINC000336648608 169074461 /nfs/dbraw/zinc/07/44/61/169074461.db2.gz CSDBLAHNRKRJCY-SECBINFHSA-N 1 3 201.314 0.039 20 0 BCADHO CCCN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336679238 169077310 /nfs/dbraw/zinc/07/73/10/169077310.db2.gz FVJOEDFFVYPXNY-LLVKDONJSA-N 1 3 200.326 0.783 20 0 BCADHO CCCN(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336679238 169077311 /nfs/dbraw/zinc/07/73/11/169077311.db2.gz FVJOEDFFVYPXNY-LLVKDONJSA-N 1 3 200.326 0.783 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359398421 169067220 /nfs/dbraw/zinc/06/72/20/169067220.db2.gz XRLBDMXLIUMPMW-QWRGUYRKSA-N 1 3 225.336 0.006 20 0 BCADHO CCCN(CC(=O)N(C)C)CC1CC[NH2+]CC1 ZINC000043497685 169093616 /nfs/dbraw/zinc/09/36/16/169093616.db2.gz XDIKDFVECUFXDH-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(CC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC000356974955 169158518 /nfs/dbraw/zinc/15/85/18/169158518.db2.gz BXTITOHDDAFNJW-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN1CCC([NH2+][C@H](C)C(=O)NCC)CC1 ZINC000035136285 169189815 /nfs/dbraw/zinc/18/98/15/169189815.db2.gz BVAXHLGFALFTQB-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000367650971 169192380 /nfs/dbraw/zinc/19/23/80/169192380.db2.gz MHEILCNJWZICJA-LLVKDONJSA-N 1 3 227.352 0.526 20 0 BCADHO CCCN1CCCN(C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000370782828 169192757 /nfs/dbraw/zinc/19/27/57/169192757.db2.gz VKMNYLPMQHSDOZ-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000125996998 169194555 /nfs/dbraw/zinc/19/45/55/169194555.db2.gz RMFHSQFVUOTJPI-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000236764453 169195730 /nfs/dbraw/zinc/19/57/30/169195730.db2.gz MOYWJKUGABZMNW-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)CC(=O)NC ZINC000353986957 169196520 /nfs/dbraw/zinc/19/65/20/169196520.db2.gz LSMVZXBLDDNLSV-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)CC(=O)NC ZINC000353986957 169196522 /nfs/dbraw/zinc/19/65/22/169196522.db2.gz LSMVZXBLDDNLSV-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000236766102 169197975 /nfs/dbraw/zinc/19/79/75/169197975.db2.gz MOYWJKUGABZMNW-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C ZINC000358828132 169198446 /nfs/dbraw/zinc/19/84/46/169198446.db2.gz JZVGGEPQCBZSAI-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C ZINC000358828132 169198447 /nfs/dbraw/zinc/19/84/47/169198447.db2.gz JZVGGEPQCBZSAI-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCCC[NH2+]C ZINC000120960505 169198574 /nfs/dbraw/zinc/19/85/74/169198574.db2.gz YBEXBYJAOPRQTJ-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000236783145 169258317 /nfs/dbraw/zinc/25/83/17/169258317.db2.gz SPFQGVSVPKRFQM-ZJUUUORDSA-N 1 3 215.341 0.476 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)CC(C)C ZINC000236782968 169258654 /nfs/dbraw/zinc/25/86/54/169258654.db2.gz KRRZRDSLPRAQCQ-JTQLQIEISA-N 1 3 215.341 0.476 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000236800221 169259348 /nfs/dbraw/zinc/25/93/48/169259348.db2.gz ALUQCKFLZAIRIO-CYBMUJFWSA-N 1 3 249.358 0.672 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000111612162 169241403 /nfs/dbraw/zinc/24/14/03/169241403.db2.gz MVHHJZGASYNTQI-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812640 169388408 /nfs/dbraw/zinc/38/84/08/169388408.db2.gz BCJNEUKROUPJDA-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812640 169388409 /nfs/dbraw/zinc/38/84/09/169388409.db2.gz BCJNEUKROUPJDA-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCCN(CC)C1 ZINC000040503645 169392376 /nfs/dbraw/zinc/39/23/76/169392376.db2.gz WXLANANQACWFBT-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H](C)N1 ZINC000180897468 134332195 /nfs/dbraw/zinc/33/21/95/134332195.db2.gz CCXSHRITHOQCED-WZRBSPASSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169318 134359288 /nfs/dbraw/zinc/35/92/88/134359288.db2.gz HRBPVSHWAQVMQC-SNVBAGLBSA-N 1 3 221.304 0.321 20 0 BCADHO CC(C)C[NH+]1CCC(N[C@H](C)CC(N)=O)CC1 ZINC000226313343 134360143 /nfs/dbraw/zinc/36/01/43/134360143.db2.gz LQIWPUORTMXDJG-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000648124747 383844137 /nfs/dbraw/zinc/84/41/37/383844137.db2.gz BQPKTWLVLRGTTR-GARJFASQSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824280 383866444 /nfs/dbraw/zinc/86/64/44/383866444.db2.gz ZFJVESJGNFMFFK-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000449148488 384016468 /nfs/dbraw/zinc/01/64/68/384016468.db2.gz TWVMDNAFDHJIBU-TUAOUCFPSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186830224 384026468 /nfs/dbraw/zinc/02/64/68/384026468.db2.gz RUCUIRFNAMFXMQ-MNOVXSKESA-N 1 3 227.352 0.441 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186843894 384053740 /nfs/dbraw/zinc/05/37/40/384053740.db2.gz LZYDPAJLMKJWID-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO Cn1cncc1CCN1CC[C@@H](C[NH3+])C1 ZINC000401812730 384055834 /nfs/dbraw/zinc/05/58/34/384055834.db2.gz VIDDOGCTMMNCBU-JTQLQIEISA-N 1 3 208.309 0.243 20 0 BCADHO CCCC[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304749 384063776 /nfs/dbraw/zinc/06/37/76/384063776.db2.gz LVGBHENZCPNJQB-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO CCCC[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000077304749 384063781 /nfs/dbraw/zinc/06/37/81/384063781.db2.gz LVGBHENZCPNJQB-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO NCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142303 384174002 /nfs/dbraw/zinc/17/40/02/384174002.db2.gz MZSQRLOJXSPCGP-MNOVXSKESA-N 1 3 225.336 0.183 20 0 BCADHO COC[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000081069214 384180307 /nfs/dbraw/zinc/18/03/07/384180307.db2.gz ULDUAJMHCCCXMW-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357320553 384203327 /nfs/dbraw/zinc/20/33/27/384203327.db2.gz YJUCRSIBSRLXBD-WZRBSPASSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC[NH3+])CN1C1CC1 ZINC000237439110 384199330 /nfs/dbraw/zinc/19/93/30/384199330.db2.gz KMUMTAGCFPKNHL-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)C)CC1 ZINC000082475026 384230126 /nfs/dbraw/zinc/23/01/26/384230126.db2.gz DZPPXPVITAZPNC-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H](NC(=O)C1(N)CC1)C(C)(C)C[NH+](C)C ZINC000237488315 384236869 /nfs/dbraw/zinc/23/68/69/384236869.db2.gz AEOYYXBXOBBPNX-SECBINFHSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000644155470 384222156 /nfs/dbraw/zinc/22/21/56/384222156.db2.gz IMXLCRQGBPOCLT-IUCAKERBSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C1(N)CCCCC1 ZINC000648144399 384248290 /nfs/dbraw/zinc/24/82/90/384248290.db2.gz YDDYEGKIDXYTTI-SNVBAGLBSA-N 1 3 227.352 0.892 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000309419953 384259692 /nfs/dbraw/zinc/25/96/92/384259692.db2.gz JSRPWSHJEHBYNT-JGVFFNPUSA-N 1 3 207.277 0.992 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000401937468 384313832 /nfs/dbraw/zinc/31/38/32/384313832.db2.gz CXPVYJBADZEOSL-WDEREUQCSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000401937466 384314077 /nfs/dbraw/zinc/31/40/77/384314077.db2.gz CXPVYJBADZEOSL-MNOVXSKESA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H](CN[C@@H]1CO[C@H](C)C1)C[NH+](C)C ZINC000401936146 384314458 /nfs/dbraw/zinc/31/44/58/384314458.db2.gz MSJFKHRPOADUNF-MXWKQRLJSA-N 1 3 200.326 0.951 20 0 BCADHO CC1(C)[C@H](NCCN2CCCC2=O)C[C@@H]1[NH3+] ZINC000405429530 384317534 /nfs/dbraw/zinc/31/75/34/384317534.db2.gz IZPBSHAQFOLWQL-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C)[C@H]([NH2+]CCN2CCCC2=O)C[C@@H]1N ZINC000405429530 384317537 /nfs/dbraw/zinc/31/75/37/384317537.db2.gz IZPBSHAQFOLWQL-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC(CC[NH2+]C)CC1 ZINC000069730508 384317849 /nfs/dbraw/zinc/31/78/49/384317849.db2.gz TUKAORZQACGHLE-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773194 384294167 /nfs/dbraw/zinc/29/41/67/384294167.db2.gz NAVSNAVGFMAKOW-FIQHERPVSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773194 384294169 /nfs/dbraw/zinc/29/41/69/384294169.db2.gz NAVSNAVGFMAKOW-FIQHERPVSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773193 384294270 /nfs/dbraw/zinc/29/42/70/384294270.db2.gz NAVSNAVGFMAKOW-BJDJZHNGSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370773193 384294273 /nfs/dbraw/zinc/29/42/73/384294273.db2.gz NAVSNAVGFMAKOW-BJDJZHNGSA-N 1 3 237.347 0.276 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648179180 384300329 /nfs/dbraw/zinc/30/03/29/384300329.db2.gz ONQDVFAOXDXHPA-VXGBXAGGSA-N 1 3 245.326 0.655 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000237589501 384303212 /nfs/dbraw/zinc/30/32/12/384303212.db2.gz FKNVQCUKBXYISZ-MXWKQRLJSA-N 1 3 237.347 0.337 20 0 BCADHO NC1(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000083834090 384336801 /nfs/dbraw/zinc/33/68/01/384336801.db2.gz PJEBAKOGTPSNJR-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000069792111 384350146 /nfs/dbraw/zinc/35/01/46/384350146.db2.gz SPCGXLOLACSIRP-JTQLQIEISA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000335558309 384323360 /nfs/dbraw/zinc/32/33/60/384323360.db2.gz AVFLDLVFBZWUHW-GFCCVEGCSA-N 1 3 239.363 0.680 20 0 BCADHO Cn1cncc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000082605315 384434181 /nfs/dbraw/zinc/43/41/81/384434181.db2.gz FASSJBUZQMKEAH-NSHDSACASA-N 1 3 222.336 0.852 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248631216 384434067 /nfs/dbraw/zinc/43/40/67/384434067.db2.gz PDUURGHFJVLASK-BJDJZHNGSA-N 1 3 239.363 0.556 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000082645451 384438668 /nfs/dbraw/zinc/43/86/68/384438668.db2.gz XYBLZQQHYSDWIU-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180586 384476139 /nfs/dbraw/zinc/47/61/39/384476139.db2.gz ITIPILGKDUMDGG-MNOVXSKESA-N 1 3 239.363 0.761 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCCn1cccn1 ZINC000163726718 384499553 /nfs/dbraw/zinc/49/95/53/384499553.db2.gz OVYVEFKIJPVTPL-VXGBXAGGSA-N 1 3 222.336 0.990 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NCCN(C)C ZINC000037481170 384504083 /nfs/dbraw/zinc/50/40/83/384504083.db2.gz NLIDAHSZGVWGRO-SNVBAGLBSA-N 1 3 201.314 0.182 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@H]2C1 ZINC000648169115 384518613 /nfs/dbraw/zinc/51/86/13/384518613.db2.gz YEQXMUFETLDFFY-IEECTRCBSA-N 1 3 249.358 0.004 20 0 BCADHO NC1(C(=O)NCCC[C@H]2CCC[NH2+]2)CCCC1 ZINC000648147387 384527928 /nfs/dbraw/zinc/52/79/28/384527928.db2.gz UATZSJIXCBTHIP-LLVKDONJSA-N 1 3 239.363 0.906 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236649042 384542263 /nfs/dbraw/zinc/54/22/63/384542263.db2.gz GCNFKSUVZGAKQQ-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCOC1 ZINC000354406193 384550298 /nfs/dbraw/zinc/55/02/98/384550298.db2.gz JTPULUJFMYVBIX-NEPJUHHUSA-N 1 3 242.363 0.458 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262772543 384556050 /nfs/dbraw/zinc/55/60/50/384556050.db2.gz MOYWJKUGABZMNW-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH3+])N(C)C ZINC000236719962 384557495 /nfs/dbraw/zinc/55/74/95/384557495.db2.gz LKLIFBYWLBFRAT-NXEZZACHSA-N 1 3 215.341 0.284 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)CN(C)C(C)C ZINC000236759005 384561991 /nfs/dbraw/zinc/56/19/91/384561991.db2.gz HAMRSSHYFTYRBW-UHFFFAOYSA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)CN(C)C(C)C ZINC000236841265 384590263 /nfs/dbraw/zinc/59/02/63/384590263.db2.gz IEMZVEDCPAOTMG-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCCCN1 ZINC000236763944 384574279 /nfs/dbraw/zinc/57/42/79/384574279.db2.gz IGIHOGLBEDLOEK-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)N1CCC([NH2+]C)CC1 ZINC000236837458 384590474 /nfs/dbraw/zinc/59/04/74/384590474.db2.gz DRNIROXOVLFXFA-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000236843088 384590904 /nfs/dbraw/zinc/59/09/04/384590904.db2.gz IOGLUQNORGYFMR-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N(C)C1CC[NH2+]CC1 ZINC000236836977 384590931 /nfs/dbraw/zinc/59/09/31/384590931.db2.gz BMNAHWJXIXVTAZ-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000309786998 384609190 /nfs/dbraw/zinc/60/91/90/384609190.db2.gz OIYXQJZKXPUITQ-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449595559 384653397 /nfs/dbraw/zinc/65/33/97/384653397.db2.gz UPIPMFDCNKRXJO-CIUDSAMLSA-N 1 3 201.314 0.212 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+](C)CCO ZINC000049633840 384678339 /nfs/dbraw/zinc/67/83/39/384678339.db2.gz BLIOOKLMKAGJCI-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCO ZINC000049633840 384678345 /nfs/dbraw/zinc/67/83/45/384678345.db2.gz BLIOOKLMKAGJCI-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444175834 384680948 /nfs/dbraw/zinc/68/09/48/384680948.db2.gz MFUBIUSLUBFCLG-SCDSUCTJSA-N 1 3 249.358 0.339 20 0 BCADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CN)OC ZINC000300386511 384743180 /nfs/dbraw/zinc/74/31/80/384743180.db2.gz ZDLVHQVBAORZDT-GRYCIOLGSA-N 1 3 230.352 0.755 20 0 BCADHO COC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])OC ZINC000300386511 384743186 /nfs/dbraw/zinc/74/31/86/384743186.db2.gz ZDLVHQVBAORZDT-GRYCIOLGSA-N 1 3 230.352 0.755 20 0 BCADHO COC(=O)CCCC[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327208 384765972 /nfs/dbraw/zinc/76/59/72/384765972.db2.gz SLWOVJPURIINBS-GHMZBOCLSA-N 1 3 228.336 0.856 20 0 BCADHO COC(=O)CCCC[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000601327208 384765976 /nfs/dbraw/zinc/76/59/76/384765976.db2.gz SLWOVJPURIINBS-GHMZBOCLSA-N 1 3 228.336 0.856 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368381330 384825187 /nfs/dbraw/zinc/82/51/87/384825187.db2.gz XNVNLUYSKNLHMS-CMPLNLGQSA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382923 384831761 /nfs/dbraw/zinc/83/17/61/384831761.db2.gz BLHCZHVSOZRBSI-YTWAJWBKSA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368382920 384832175 /nfs/dbraw/zinc/83/21/75/384832175.db2.gz BLHCZHVSOZRBSI-LMLFDSFASA-N 1 3 225.336 0.180 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000236900086 384788143 /nfs/dbraw/zinc/78/81/43/384788143.db2.gz WKVAFKDLIZUCSB-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000236902879 384800016 /nfs/dbraw/zinc/80/00/16/384800016.db2.gz WKVAFKDLIZUCSB-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000648188010 384801196 /nfs/dbraw/zinc/80/11/96/384801196.db2.gz LAGKJCJKYFVSGU-NTZNESFSSA-N 1 3 249.358 0.798 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)CNC1CC1 ZINC000557190355 384871907 /nfs/dbraw/zinc/87/19/07/384871907.db2.gz MBUQXHCRWCRQEI-SECBINFHSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000370798440 384880745 /nfs/dbraw/zinc/88/07/45/384880745.db2.gz NVCMBTQMNIVZHF-ONGXEEELSA-N 1 3 231.315 0.178 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N[C@H]1CNCCC1(F)F ZINC000449661080 384841957 /nfs/dbraw/zinc/84/19/57/384841957.db2.gz ZAMNIGUKKGZCCA-WPRPVWTQSA-N 1 3 249.305 0.617 20 0 BCADHO CN(C[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1)C1CC1 ZINC000644548013 384951844 /nfs/dbraw/zinc/95/18/44/384951844.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548013 384951849 /nfs/dbraw/zinc/95/18/49/384951849.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548013 384951854 /nfs/dbraw/zinc/95/18/54/384951854.db2.gz KIQWOZGGVRVEMF-YPMHNXCESA-N 1 3 241.379 0.125 20 0 BCADHO NC[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178531031 384957076 /nfs/dbraw/zinc/95/70/76/384957076.db2.gz NUSSYEPFHJLROF-WCQYABFASA-N 1 3 247.342 0.536 20 0 BCADHO O[C@H](CN[C@@H]1CCCC[C@H]1O)C[NH+]1CCCC1 ZINC000251291207 384914385 /nfs/dbraw/zinc/91/43/85/384914385.db2.gz NREYEYKDUKTLQO-JHJVBQTASA-N 1 3 242.363 0.336 20 0 BCADHO [NH3+]C1CCN(C(=O)[C@H]2CNCCC2(F)F)CC1 ZINC000647603263 384920411 /nfs/dbraw/zinc/92/04/11/384920411.db2.gz KZUGAGGAUYKUMX-SECBINFHSA-N 1 3 247.289 0.181 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000226086335 384932328 /nfs/dbraw/zinc/93/23/28/384932328.db2.gz YRGDUHRTSZKUQO-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000156741899 384945552 /nfs/dbraw/zinc/94/55/52/384945552.db2.gz IVOOXPXOLGONRH-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000129090580 384974014 /nfs/dbraw/zinc/97/40/14/384974014.db2.gz XAPHNVWAYSPLNZ-NXEZZACHSA-N 1 3 215.341 0.556 20 0 BCADHO CCCC[NH+]1CCC(NC(=O)[C@H](C)N)CC1 ZINC000037005026 384988513 /nfs/dbraw/zinc/98/85/13/384988513.db2.gz NXOMNXGKHFXOLV-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1C[NH2+]C1 ZINC000164474088 384997165 /nfs/dbraw/zinc/99/71/65/384997165.db2.gz PQBYOKNTKILGRZ-GXSJLCMTSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)C[NH3+])N(C)C1CC1 ZINC000226398883 385007548 /nfs/dbraw/zinc/00/75/48/385007548.db2.gz IAOMCVWFVBYGKY-SECBINFHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000404807362 385078475 /nfs/dbraw/zinc/07/84/75/385078475.db2.gz ZYUZFNPERBVRJV-WOPDTQHZSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@H](CC(=O)NCCN(C)C)[C@H]1CCC[NH2+]C1 ZINC000156981748 385030948 /nfs/dbraw/zinc/03/09/48/385030948.db2.gz NKBUXQDENUBBRI-NEPJUHHUSA-N 1 3 241.379 0.690 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCn1cccn1 ZINC000404855745 385107903 /nfs/dbraw/zinc/10/79/03/385107903.db2.gz SDMKFSHHPGKPAX-NXEZZACHSA-N 1 3 208.309 0.599 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCn1cccn1 ZINC000404855745 385107909 /nfs/dbraw/zinc/10/79/09/385107909.db2.gz SDMKFSHHPGKPAX-NXEZZACHSA-N 1 3 208.309 0.599 20 0 BCADHO CC1([NH3+])CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000646993368 385123476 /nfs/dbraw/zinc/12/34/76/385123476.db2.gz SXGUZSZLRPTQNF-LURJTMIESA-N 1 3 239.241 0.216 20 0 BCADHO CC[C@H]1CN(C(=O)CNC2CC2)CC[C@@H]1[NH3+] ZINC000647001885 385136816 /nfs/dbraw/zinc/13/68/16/385136816.db2.gz CFCUUJSLFKUUAK-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000647001667 385138138 /nfs/dbraw/zinc/13/81/38/385138138.db2.gz JBELOHLLVKOTMH-UTLUCORTSA-N 1 3 225.336 0.099 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@H]1[NH3+] ZINC000647015764 385139597 /nfs/dbraw/zinc/13/95/97/385139597.db2.gz ZGLUGEZKZAMJRS-HBNTYKKESA-N 1 3 227.352 0.556 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000530832001 385102950 /nfs/dbraw/zinc/10/29/50/385102950.db2.gz RYEJKSFMPHGGGY-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000530832001 385102953 /nfs/dbraw/zinc/10/29/53/385102953.db2.gz RYEJKSFMPHGGGY-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO CN(C[C@@H](O)C[NH3+])C[C@H]1CCC(F)(F)C1 ZINC000308820444 385191262 /nfs/dbraw/zinc/19/12/62/385191262.db2.gz BUCSCEMCEOFQOY-IUCAKERBSA-N 1 3 222.279 0.673 20 0 BCADHO N[C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056273 385196766 /nfs/dbraw/zinc/19/67/66/385196766.db2.gz YOIIVJCVFVNNCH-MNOVXSKESA-N 1 3 237.347 0.372 20 0 BCADHO N[C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)C1CCC1 ZINC000647056274 385197937 /nfs/dbraw/zinc/19/79/37/385197937.db2.gz YOIIVJCVFVNNCH-QWRGUYRKSA-N 1 3 237.347 0.372 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647011700 385145731 /nfs/dbraw/zinc/14/57/31/385145731.db2.gz JAFHMLUIZREBNJ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000647022758 385155803 /nfs/dbraw/zinc/15/58/03/385155803.db2.gz DUJRJFCODSDYKX-KOLCDFICSA-N 1 3 221.304 0.540 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000647023224 385155843 /nfs/dbraw/zinc/15/58/43/385155843.db2.gz SVFYOBSCTHZREP-ONGXEEELSA-N 1 3 221.304 0.192 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000449482612 385155939 /nfs/dbraw/zinc/15/59/39/385155939.db2.gz ZAONBEQBARQUCE-NXEZZACHSA-N 1 3 225.336 0.385 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026381 385159806 /nfs/dbraw/zinc/15/98/06/385159806.db2.gz GRLSKMQDXFIXIS-QWRGUYRKSA-N 1 3 239.363 0.572 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000647026380 385160321 /nfs/dbraw/zinc/16/03/21/385160321.db2.gz GRLSKMQDXFIXIS-MNOVXSKESA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058103 385200805 /nfs/dbraw/zinc/20/08/05/385200805.db2.gz MWYWLKZKXYNFBG-UWVGGRQHSA-N 1 3 231.315 0.191 20 0 BCADHO CC[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526675 385208877 /nfs/dbraw/zinc/20/88/77/385208877.db2.gz IEOBGHRYOZMTSU-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)CC(F)F ZINC000308849320 385211254 /nfs/dbraw/zinc/21/12/54/385211254.db2.gz QPXYRKNSYMFZMT-ZETCQYMHSA-N 1 3 223.267 0.037 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)CC(F)F ZINC000308849320 385211255 /nfs/dbraw/zinc/21/12/55/385211255.db2.gz QPXYRKNSYMFZMT-ZETCQYMHSA-N 1 3 223.267 0.037 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647072048 385219825 /nfs/dbraw/zinc/21/98/25/385219825.db2.gz YTQYEQHRIXOYBW-BQBZGAKWSA-N 1 3 235.278 0.083 20 0 BCADHO COCCOCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164670950 385225644 /nfs/dbraw/zinc/22/56/44/385225644.db2.gz LUYVQBQPOCSJOK-NEPJUHHUSA-N 1 3 230.352 0.566 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246747283 385227843 /nfs/dbraw/zinc/22/78/43/385227843.db2.gz ZMLYDHBTEYQVGX-AXFHLTTASA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246747283 385227846 /nfs/dbraw/zinc/22/78/46/385227846.db2.gz ZMLYDHBTEYQVGX-AXFHLTTASA-N 1 3 227.352 0.665 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374232 385232870 /nfs/dbraw/zinc/23/28/70/385232870.db2.gz IVKLSXFBVQASSL-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO NC1(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)CC1 ZINC000364195096 385241554 /nfs/dbraw/zinc/24/15/54/385241554.db2.gz BIUUHCMMDWLDLI-GXSJLCMTSA-N 1 3 223.320 0.208 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])N(C)C ZINC000157689129 385247266 /nfs/dbraw/zinc/24/72/66/385247266.db2.gz BVHONIOSPQITJS-GRYCIOLGSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)C[C@H]1C[NH3+] ZINC000647086753 385251825 /nfs/dbraw/zinc/25/18/25/385251825.db2.gz BRGICRXIXBOWJH-IWSPIJDZSA-N 1 3 249.305 0.412 20 0 BCADHO CCCCN(C)CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000166641358 385266881 /nfs/dbraw/zinc/26/68/81/385266881.db2.gz FXPMQDUWIFDDCV-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CCC[C@H](C)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000308957627 385323191 /nfs/dbraw/zinc/32/31/91/385323191.db2.gz XXSACYMKEGZAGW-HBNTYKKESA-N 1 3 200.326 0.593 20 0 BCADHO CCC[C@H](C)C[NH2+]C[C@@H]1CNC[C@H]1O ZINC000308957627 385323194 /nfs/dbraw/zinc/32/31/94/385323194.db2.gz XXSACYMKEGZAGW-HBNTYKKESA-N 1 3 200.326 0.593 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000367497536 385291087 /nfs/dbraw/zinc/29/10/87/385291087.db2.gz MCWCIFNRCUZIBW-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@H+](CCn2cncn2)[C@@H]1C ZINC000316800867 385330195 /nfs/dbraw/zinc/33/01/95/385330195.db2.gz HFOTYJRANAIMCP-IJLUTSLNSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@@H+](CCn2cncn2)[C@@H]1C ZINC000316800867 385330201 /nfs/dbraw/zinc/33/02/01/385330201.db2.gz HFOTYJRANAIMCP-IJLUTSLNSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@H+](CCn2cncn2)[C@H]1C ZINC000316800872 385330369 /nfs/dbraw/zinc/33/03/69/385330369.db2.gz HFOTYJRANAIMCP-WOPDTQHZSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCn2cncn2)[C@H]1C ZINC000316800872 385330373 /nfs/dbraw/zinc/33/03/73/385330373.db2.gz HFOTYJRANAIMCP-WOPDTQHZSA-N 1 3 237.351 0.726 20 0 BCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000259355364 385336949 /nfs/dbraw/zinc/33/69/49/385336949.db2.gz ZAKOHJVXVMVFCN-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@H+]1CC[C@H](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000259355364 385336953 /nfs/dbraw/zinc/33/69/53/385336953.db2.gz ZAKOHJVXVMVFCN-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CNCc1ccccc1NC(=O)CC[NH2+]C ZINC000647657367 385361962 /nfs/dbraw/zinc/36/19/62/385361962.db2.gz ZQTXHONTYMVTAU-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178406400 385367644 /nfs/dbraw/zinc/36/76/44/385367644.db2.gz GZQSHSCCIZROTM-OLZOCXBDSA-N 1 3 247.342 0.425 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000644080410 385424740 /nfs/dbraw/zinc/42/47/40/385424740.db2.gz MEXZVDQULNMGTK-UWVGGRQHSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]([NH3+])CCNC(=O)[C@@]1(C)CCCCN1 ZINC000180896627 385397472 /nfs/dbraw/zinc/39/74/72/385397472.db2.gz ZFVBTQZANSDKTI-MWLCHTKSSA-N 1 3 213.325 0.372 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639567 385403729 /nfs/dbraw/zinc/40/37/29/385403729.db2.gz NACZGKGFOFYYJN-LNFKQOIKSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000336091937 385439827 /nfs/dbraw/zinc/43/98/27/385439827.db2.gz RKRCBMRXAWPVBS-GXSJLCMTSA-N 1 3 227.352 0.556 20 0 BCADHO COc1ccccc1[C@H](N)CNC(=O)[C@H]1CC[NH2+]1 ZINC000644092162 385444483 /nfs/dbraw/zinc/44/44/83/385444483.db2.gz INZMNQDXOLZIGF-GHMZBOCLSA-N 1 3 249.314 0.173 20 0 BCADHO CCCN(C(=O)[C@@H]1NCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000644085363 385430878 /nfs/dbraw/zinc/43/08/78/385430878.db2.gz XYDUNQSJJDJYJX-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1NCC1(C)C ZINC000644100467 385474382 /nfs/dbraw/zinc/47/43/82/385474382.db2.gz DYHYHBXCTMLORP-KXUCPTDWSA-N 1 3 225.336 0.180 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1CNCCC1(F)F ZINC000644122276 385500420 /nfs/dbraw/zinc/50/04/20/385500420.db2.gz TXINQZFEHJGINN-RKDXNWHRSA-N 1 3 249.305 0.345 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309258584 385502549 /nfs/dbraw/zinc/50/25/49/385502549.db2.gz HENBABPJPLEPTA-SECBINFHSA-N 1 3 213.325 0.311 20 0 BCADHO CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000644811870 385517301 /nfs/dbraw/zinc/51/73/01/385517301.db2.gz BHJGNUJXBTYKEZ-SDDRHHMPSA-N 1 3 237.347 0.101 20 0 BCADHO CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000644811870 385517304 /nfs/dbraw/zinc/51/73/04/385517304.db2.gz BHJGNUJXBTYKEZ-SDDRHHMPSA-N 1 3 237.347 0.101 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000364870285 385531923 /nfs/dbraw/zinc/53/19/23/385531923.db2.gz ATDJFUGQGKCXAU-JBLDHEPKSA-N 1 3 243.326 0.274 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142162 385526060 /nfs/dbraw/zinc/52/60/60/385526060.db2.gz DMRWPVCRGZNCCK-RCWTZXSCSA-N 1 3 243.326 0.191 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000309466586 385595748 /nfs/dbraw/zinc/59/57/48/385595748.db2.gz QCMZNZXZPLOVAQ-VHSXEESVSA-N 1 3 213.325 0.167 20 0 BCADHO CN(CCNC(=O)CCC[NH3+])Cc1ccccc1 ZINC000263265971 385664812 /nfs/dbraw/zinc/66/48/12/385664812.db2.gz NRSOFPHLQYXRIM-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC1CC1 ZINC000182297019 385644999 /nfs/dbraw/zinc/64/49/99/385644999.db2.gz NVFUAVBVSMXLGC-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC1CC1 ZINC000182297019 385645004 /nfs/dbraw/zinc/64/50/04/385645004.db2.gz NVFUAVBVSMXLGC-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](NC(=O)C(C)(C)N)[C@@H]1CCC[NH2+]C1 ZINC000309512123 385646972 /nfs/dbraw/zinc/64/69/72/385646972.db2.gz XPYZBZPQRJRABX-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CN(CCCc1ccccc1)C[C@@H](O)C[NH3+] ZINC000336737824 385647768 /nfs/dbraw/zinc/64/77/68/385647768.db2.gz JSUFIRCMTPXYQS-ZDUSSCGKSA-N 1 3 222.332 0.871 20 0 BCADHO C[N@H+](CCCc1ccccc1)C[C@@H](O)CN ZINC000336737824 385647774 /nfs/dbraw/zinc/64/77/74/385647774.db2.gz JSUFIRCMTPXYQS-ZDUSSCGKSA-N 1 3 222.332 0.871 20 0 BCADHO C[N@@H+](CCCc1ccccc1)C[C@@H](O)CN ZINC000336737824 385647781 /nfs/dbraw/zinc/64/77/81/385647781.db2.gz JSUFIRCMTPXYQS-ZDUSSCGKSA-N 1 3 222.332 0.871 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000337433567 385657472 /nfs/dbraw/zinc/65/74/72/385657472.db2.gz BMXSCUASBPLHGH-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000337433567 385657479 /nfs/dbraw/zinc/65/74/79/385657479.db2.gz BMXSCUASBPLHGH-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)CC[NH3+] ZINC000309522178 385659018 /nfs/dbraw/zinc/65/90/18/385659018.db2.gz BWRQVXYVEUFWFT-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645263118 385701723 /nfs/dbraw/zinc/70/17/23/385701723.db2.gz HPPNRUWMQZLXNJ-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645263119 385701955 /nfs/dbraw/zinc/70/19/55/385701955.db2.gz HPPNRUWMQZLXNJ-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCC[NH+]1CCCC1 ZINC000336684463 385671199 /nfs/dbraw/zinc/67/11/99/385671199.db2.gz ZMAHAAJEGDSQCB-QMMMGPOBSA-N 1 3 235.278 0.181 20 0 BCADHO CCn1ncnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647797134 385765062 /nfs/dbraw/zinc/76/50/62/385765062.db2.gz ZUFOZCYDZYPPGD-GRYCIOLGSA-N 1 3 249.362 0.776 20 0 BCADHO CCC[NH2+]CCNC1CCN(CCOC)CC1 ZINC000414866938 385788022 /nfs/dbraw/zinc/78/80/22/385788022.db2.gz HYGBWIYVKHPDHV-UHFFFAOYSA-N 1 3 243.395 0.686 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000186812067 385799562 /nfs/dbraw/zinc/79/95/62/385799562.db2.gz NPRVIAIRUDJRLB-OPRDCNLKSA-N 1 3 227.352 0.474 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645287958 385804846 /nfs/dbraw/zinc/80/48/46/385804846.db2.gz DPXJCNDKGBKVPC-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)C[C@@H](N)c1ccccc1 ZINC000261615307 385824231 /nfs/dbraw/zinc/82/42/31/385824231.db2.gz AQBNACFAHFWVOL-CMPLNLGQSA-N 1 3 235.331 0.801 20 0 BCADHO Cc1ccc(O)c(CNC[C@H](C)C[NH3+])n1 ZINC000414869748 385838136 /nfs/dbraw/zinc/83/81/36/385838136.db2.gz BFNCILNQVOYIRO-MRVPVSSYSA-N 1 3 209.293 0.780 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)CCN1C ZINC000638114385 385848663 /nfs/dbraw/zinc/84/86/63/385848663.db2.gz IGXGTRUSQJWWCJ-USWWRNFRSA-N 1 3 237.347 0.633 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000638114145 385849137 /nfs/dbraw/zinc/84/91/37/385849137.db2.gz HLDBLCCNLJHGQV-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H](C[NH3+])CNCc1ccc2c(c1)nnn2C ZINC000414871555 385853395 /nfs/dbraw/zinc/85/33/95/385853395.db2.gz DCVLCRIYPCWLFY-VIFPVBQESA-N 1 3 233.319 0.653 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000186809139 385797077 /nfs/dbraw/zinc/79/70/77/385797077.db2.gz NPEHFRDXZYORBE-GARJFASQSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CNCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000647841278 385890112 /nfs/dbraw/zinc/89/01/12/385890112.db2.gz FXGYGKRZSCBZKE-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO O=C([C@H]1CCC[NH2+]C1)N1CCN2CCC1CC2 ZINC000335037211 385928885 /nfs/dbraw/zinc/92/88/85/385928885.db2.gz HCMGMUSQMYQWAB-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000413852423 385900099 /nfs/dbraw/zinc/90/00/99/385900099.db2.gz ABIQHHYMJDMGHC-SNVBAGLBSA-N 1 3 229.368 0.783 20 0 BCADHO COC(C)(C)[C@@H](C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000340200713 385905314 /nfs/dbraw/zinc/90/53/14/385905314.db2.gz RDDJKOZQFVZQHE-VXGBXAGGSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335032299 385921125 /nfs/dbraw/zinc/92/11/25/385921125.db2.gz NQDWFLFNIQKKCO-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000414004920 385922143 /nfs/dbraw/zinc/92/21/43/385922143.db2.gz KTMNMIZCBJMQDJ-GRYCIOLGSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000414004920 385922146 /nfs/dbraw/zinc/92/21/46/385922146.db2.gz KTMNMIZCBJMQDJ-GRYCIOLGSA-N 1 3 239.363 0.395 20 0 BCADHO Cc1csc(=O)n1CC[NH2+]CC1(N)CCC1 ZINC000342116393 385930306 /nfs/dbraw/zinc/93/03/06/385930306.db2.gz FSVIPMLSEOQUHZ-UHFFFAOYSA-N 1 3 241.360 0.689 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000647732456 385862553 /nfs/dbraw/zinc/86/25/53/385862553.db2.gz IOWXJSWNPSDPAT-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000647732459 385862932 /nfs/dbraw/zinc/86/29/32/385862932.db2.gz IOWXJSWNPSDPAT-VWYCJHECSA-N 1 3 225.336 0.182 20 0 BCADHO CN(C)C(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814851 385868616 /nfs/dbraw/zinc/86/86/16/385868616.db2.gz INWGHJVJLAMLOP-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)C(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000647814851 385868619 /nfs/dbraw/zinc/86/86/19/385868619.db2.gz INWGHJVJLAMLOP-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)C(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814851 385868622 /nfs/dbraw/zinc/86/86/22/385868622.db2.gz INWGHJVJLAMLOP-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000647816977 385871407 /nfs/dbraw/zinc/87/14/07/385871407.db2.gz TWMLEGSDEBGMII-KXNHARMFSA-N 1 3 239.363 0.570 20 0 BCADHO c1cncc(CNCCC[NH2+][C@H]2CCCNC2)c1 ZINC000414881389 385991829 /nfs/dbraw/zinc/99/18/29/385991829.db2.gz RGCATVVHDSEPCG-AWEZNQCLSA-N 1 3 248.374 0.903 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1cn[nH]c1 ZINC000309009026 385933420 /nfs/dbraw/zinc/93/34/20/385933420.db2.gz OHJNQYHJDQDRHQ-MWLCHTKSSA-N 1 3 208.309 0.621 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000335051637 385948387 /nfs/dbraw/zinc/94/83/87/385948387.db2.gz STVCZEHDFXWFSA-GHMZBOCLSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(O)CCC1 ZINC000335051637 385948389 /nfs/dbraw/zinc/94/83/89/385948389.db2.gz STVCZEHDFXWFSA-GHMZBOCLSA-N 1 3 212.337 0.879 20 0 BCADHO COCCNCCNC[C@@H]([NH3+])CC(C)C ZINC000414879830 385958154 /nfs/dbraw/zinc/95/81/54/385958154.db2.gz IICCHMLZRDHBDO-NSHDSACASA-N 1 3 217.357 0.185 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251247861 385961399 /nfs/dbraw/zinc/96/13/99/385961399.db2.gz BKXQUSIPXXHKRM-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000251247861 385961406 /nfs/dbraw/zinc/96/14/06/385961406.db2.gz BKXQUSIPXXHKRM-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000638574911 385998724 /nfs/dbraw/zinc/99/87/24/385998724.db2.gz YUEASSWUCQWJKK-KXNHARMFSA-N 1 3 239.363 0.631 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000638574912 386000456 /nfs/dbraw/zinc/00/04/56/386000456.db2.gz YUEASSWUCQWJKK-NNYUYHANSA-N 1 3 239.363 0.631 20 0 BCADHO CC[N@H+](C)CCNC(=O)NC[C@H]1CCCN1C ZINC000338462596 386011008 /nfs/dbraw/zinc/01/10/08/386011008.db2.gz LXUXDWWEKXXGJO-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1C ZINC000338462596 386011011 /nfs/dbraw/zinc/01/10/11/386011011.db2.gz LXUXDWWEKXXGJO-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336752440 386017206 /nfs/dbraw/zinc/01/72/06/386017206.db2.gz GWINDRADFMBPPB-IJLUTSLNSA-N 1 3 213.369 0.866 20 0 BCADHO N[C@@H]1Cc2ccccc2N(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000335061291 386026350 /nfs/dbraw/zinc/02/63/50/386026350.db2.gz MEOXOGVLPCEQBT-NWDGAFQWSA-N 1 3 245.326 0.513 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335062076 386030415 /nfs/dbraw/zinc/03/04/15/386030415.db2.gz NGDYZLQYNOTOKQ-QWRGUYRKSA-N 1 3 233.315 0.640 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1CCCCN1 ZINC000054133506 386109863 /nfs/dbraw/zinc/10/98/63/386109863.db2.gz XZZNENGXDKXBNS-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCCCN1 ZINC000054133506 386109867 /nfs/dbraw/zinc/10/98/67/386109867.db2.gz XZZNENGXDKXBNS-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(CCN(C)C)C1CCCC1 ZINC000054342109 386120447 /nfs/dbraw/zinc/12/04/47/386120447.db2.gz MHLZKDZLQCPWSN-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO Cc1nccn1CC[N@H+]1CCN(C)C[C@@H]1C ZINC000334451042 386088994 /nfs/dbraw/zinc/08/89/94/386088994.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CC[N@@H+]1CCN(C)C[C@@H]1C ZINC000334451042 386088997 /nfs/dbraw/zinc/08/89/97/386088997.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@@H+](C)C[C@@H]1C ZINC000334451042 386089004 /nfs/dbraw/zinc/08/90/04/386089004.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@H+](C)C[C@@H]1C ZINC000334451042 386089010 /nfs/dbraw/zinc/08/90/10/386089010.db2.gz UOFFRXHVJHRLKX-NSHDSACASA-N 1 3 222.336 0.827 20 0 BCADHO COCCNCCN[C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000414892433 386149168 /nfs/dbraw/zinc/14/91/68/386149168.db2.gz XAXPTQDRQKJTHB-RYUDHWBXSA-N 1 3 229.368 0.343 20 0 BCADHO CCN(C)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055131827 386158764 /nfs/dbraw/zinc/15/87/64/386158764.db2.gz XQFSPHINTJASGN-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346141774 386166298 /nfs/dbraw/zinc/16/62/98/386166298.db2.gz RJYATBBAACWZIA-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1C[C@@H](CN(C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681951 386167924 /nfs/dbraw/zinc/16/79/24/386167924.db2.gz QELOQRSUYHVZFS-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346187619 386182136 /nfs/dbraw/zinc/18/21/36/386182136.db2.gz FHHYKDREZGACTB-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO COc1ccc2c(c1)[C@@H](N)CCN2C(=O)CC[NH3+] ZINC000365492631 386130695 /nfs/dbraw/zinc/13/06/95/386130695.db2.gz NGFXOZVHSSCNOP-NSHDSACASA-N 1 3 249.314 0.781 20 0 BCADHO CCN(CCNC(=O)N[C@H](C)CC[NH3+])C1CC1 ZINC000417487098 386141262 /nfs/dbraw/zinc/14/12/62/386141262.db2.gz NKLVVSHYUOOFDU-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@H](N)CC(C)C)C1 ZINC000414702229 386207619 /nfs/dbraw/zinc/20/76/19/386207619.db2.gz UVUORUODCMBLLM-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](N)CC(C)C)C1 ZINC000414702229 386207623 /nfs/dbraw/zinc/20/76/23/386207623.db2.gz UVUORUODCMBLLM-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H](N)CC(C)C ZINC000414712676 386230987 /nfs/dbraw/zinc/23/09/87/386230987.db2.gz TUSGINIARYDDGE-MNOVXSKESA-N 1 3 229.368 0.674 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](N)CC(C)C ZINC000414712676 386230990 /nfs/dbraw/zinc/23/09/90/386230990.db2.gz TUSGINIARYDDGE-MNOVXSKESA-N 1 3 229.368 0.674 20 0 BCADHO NC(=O)C[C@@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000647882662 386234034 /nfs/dbraw/zinc/23/40/34/386234034.db2.gz LBBIYJQVMSVUBU-MNOVXSKESA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1SCCN(CCN2CC[NH2+]CC2)[C@@H]1C ZINC000132419802 386235136 /nfs/dbraw/zinc/23/51/36/386235136.db2.gz VRNGDZONYRYKGI-VXGBXAGGSA-N 1 3 243.420 0.717 20 0 BCADHO NC(=O)C[C@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000647882664 386237512 /nfs/dbraw/zinc/23/75/12/386237512.db2.gz LBBIYJQVMSVUBU-WDEREUQCSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873644 386257741 /nfs/dbraw/zinc/25/77/41/386257741.db2.gz HFNDKUBMEPMVOU-TUAOUCFPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873644 386257747 /nfs/dbraw/zinc/25/77/47/386257747.db2.gz HFNDKUBMEPMVOU-TUAOUCFPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN[C@@H]1CNCCC1(F)F ZINC000414998411 386199157 /nfs/dbraw/zinc/19/91/57/386199157.db2.gz IZANJZWUYRDNFI-NXEZZACHSA-N 1 3 235.322 0.947 20 0 BCADHO C[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000211696448 386280836 /nfs/dbraw/zinc/28/08/36/386280836.db2.gz KCGIYIVTOJXTEM-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000211696448 386280840 /nfs/dbraw/zinc/28/08/40/386280840.db2.gz KCGIYIVTOJXTEM-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO Cc1nc([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988412 386304192 /nfs/dbraw/zinc/30/41/92/386304192.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1n[nH]c([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647988412 386304197 /nfs/dbraw/zinc/30/41/97/386304197.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1nnc([C@@H]2CCCN(C[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988412 386304203 /nfs/dbraw/zinc/30/42/03/386304203.db2.gz FWXPFLOVJSKIIA-VXGBXAGGSA-N 1 3 249.362 0.902 20 0 BCADHO CCCN(C)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416305098 386266042 /nfs/dbraw/zinc/26/60/42/386266042.db2.gz WFIJCBLECBRJSI-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@@H]1CC2(CN1CC(N)=O)CC[NH2+]CC2 ZINC000335277508 386344213 /nfs/dbraw/zinc/34/42/13/386344213.db2.gz IUIMNGXMOUIFJG-SECBINFHSA-N 1 3 211.309 0.986 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000265599045 386349342 /nfs/dbraw/zinc/34/93/42/386349342.db2.gz BZISLKLBPTZCTI-SGUJLRQBSA-N 1 3 225.336 0.172 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000265599045 386349349 /nfs/dbraw/zinc/34/93/49/386349349.db2.gz BZISLKLBPTZCTI-SGUJLRQBSA-N 1 3 225.336 0.172 20 0 BCADHO C[NH+](C)Cc1cccc(CNC(=O)C2(N)CC2)c1 ZINC000237056562 386351038 /nfs/dbraw/zinc/35/10/38/386351038.db2.gz KMQYBZWNPYYNHI-UHFFFAOYSA-N 1 3 247.342 0.856 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC000336691245 386361232 /nfs/dbraw/zinc/36/12/32/386361232.db2.gz FICCZYXKJQDVPJ-GFCCVEGCSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC000336691245 386361235 /nfs/dbraw/zinc/36/12/35/386361235.db2.gz FICCZYXKJQDVPJ-GFCCVEGCSA-N 1 3 236.363 0.846 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)[N@@H+]1CCC[C@@H](C)C1 ZINC000237400933 386376062 /nfs/dbraw/zinc/37/60/62/386376062.db2.gz SVSRWUUKHTVIFT-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)[N@H+]1CCC[C@@H](C)C1 ZINC000237400933 386376067 /nfs/dbraw/zinc/37/60/67/386376067.db2.gz SVSRWUUKHTVIFT-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000417550811 386376294 /nfs/dbraw/zinc/37/62/94/386376294.db2.gz MJOLDJPKBULCTI-NXEZZACHSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)N(C[C@@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336684157 386331254 /nfs/dbraw/zinc/33/12/54/386331254.db2.gz FODDOUYFMLYXDG-DGCLKSJQSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C[C@@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336684157 386331257 /nfs/dbraw/zinc/33/12/57/386331257.db2.gz FODDOUYFMLYXDG-DGCLKSJQSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@@H](C)CN1C ZINC000647989049 386334034 /nfs/dbraw/zinc/33/40/34/386334034.db2.gz BOLBIWGLRPDUGO-WOPDTQHZSA-N 1 3 211.353 0.620 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H](C)C[NH2+]C)CC1 ZINC000092132762 386334360 /nfs/dbraw/zinc/33/43/60/386334360.db2.gz JRQZAATTYUUEKI-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cccn3)C[C@@H]21 ZINC000230045545 386335786 /nfs/dbraw/zinc/33/57/86/386335786.db2.gz HPLZQRKEVJVMPY-RWMBFGLXSA-N 1 3 234.347 0.942 20 0 BCADHO CN(C)Cc1cccc(CNC(=O)CC[NH3+])c1 ZINC000237038265 386339386 /nfs/dbraw/zinc/33/93/86/386339386.db2.gz NCBOJCROGWOQRR-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000356394798 386436795 /nfs/dbraw/zinc/43/67/95/386436795.db2.gz SLHXBBZLYOCEQQ-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+]CCNC(=O)N[C@H](C)CN1CCCCC1 ZINC000417036996 386439306 /nfs/dbraw/zinc/43/93/06/386439306.db2.gz TUFUGLWICXYJMJ-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCNC1=O ZINC000414767273 386440992 /nfs/dbraw/zinc/44/09/92/386440992.db2.gz SIAHNQMEDGSPOE-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000414755364 386395012 /nfs/dbraw/zinc/39/50/12/386395012.db2.gz HKMTWVRHUNSPQD-DCAQKATOSA-N 1 3 200.326 0.815 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000414755364 386395016 /nfs/dbraw/zinc/39/50/16/386395016.db2.gz HKMTWVRHUNSPQD-DCAQKATOSA-N 1 3 200.326 0.815 20 0 BCADHO [NH3+]CC1(CC(=O)NCCNc2ccncc2)CC1 ZINC000519393600 386428595 /nfs/dbraw/zinc/42/85/95/386428595.db2.gz YHASYCMTVPOUES-UHFFFAOYSA-N 1 3 248.330 0.161 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CCNC[C@@](C)(F)C1 ZINC000414766191 386432493 /nfs/dbraw/zinc/43/24/93/386432493.db2.gz DHLRTJIYFUWXCI-VXGBXAGGSA-N 1 3 231.359 0.993 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000238010346 386434214 /nfs/dbraw/zinc/43/42/14/386434214.db2.gz DSYXWGJIFXNVBJ-NWDGAFQWSA-N 1 3 233.315 0.555 20 0 BCADHO O[C@@H]1C[NH2+]C[C@@H]1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414773453 386466585 /nfs/dbraw/zinc/46/65/85/386466585.db2.gz AKJNNQWATMFGBP-ZQDZILKHSA-N 1 3 246.354 0.960 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000417287572 386475405 /nfs/dbraw/zinc/47/54/05/386475405.db2.gz PAQODDKOGYATHE-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NC[C@H]1CCCN1C ZINC000417287954 386475438 /nfs/dbraw/zinc/47/54/38/386475438.db2.gz PYSDBVJMUHMESN-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[NH2+]CC1CC1 ZINC000061645023 386475823 /nfs/dbraw/zinc/47/58/23/386475823.db2.gz IVXGRRRLHCNSHB-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCN(CC[NH2+][C@H]2CCOC2)CC1(C)C ZINC000441375548 386487286 /nfs/dbraw/zinc/48/72/86/386487286.db2.gz BPSFTQDSEXTHFL-LBPRGKRZSA-N 1 3 241.379 0.391 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NCCN(C)C1CC1 ZINC000062010210 386489549 /nfs/dbraw/zinc/48/95/49/386489549.db2.gz BRRCHAHFFOUQPM-GFCCVEGCSA-N 1 3 227.352 0.714 20 0 BCADHO CNCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000335441586 386501141 /nfs/dbraw/zinc/50/11/41/386501141.db2.gz DSAAPXPZEWXLSL-QWRGUYRKSA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113123 386502967 /nfs/dbraw/zinc/50/29/67/386502967.db2.gz MWPBPHAZQDQRBD-RYUDHWBXSA-N 1 3 241.379 0.688 20 0 BCADHO N[C@@H](CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000366465374 386513184 /nfs/dbraw/zinc/51/31/84/386513184.db2.gz XENFQWVDOJJYAQ-KZVDOYCCSA-N 1 3 245.326 0.411 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460114 386453239 /nfs/dbraw/zinc/45/32/39/386453239.db2.gz BKXQUSIPXXHKRM-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460114 386453249 /nfs/dbraw/zinc/45/32/49/386453249.db2.gz BKXQUSIPXXHKRM-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000204154478 386455464 /nfs/dbraw/zinc/45/54/64/386455464.db2.gz UJMISRFJRVADQM-GXSJLCMTSA-N 1 3 221.304 0.020 20 0 BCADHO CN(CCNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000417620075 386459089 /nfs/dbraw/zinc/45/90/89/386459089.db2.gz CKUVEZSPFKXUPI-LLVKDONJSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)C1CCC1)[NH+](C)C ZINC000399223149 386461042 /nfs/dbraw/zinc/46/10/42/386461042.db2.gz LKUFORIRDMWYOF-WCBMZHEXSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C ZINC000638422374 386463057 /nfs/dbraw/zinc/46/30/57/386463057.db2.gz AWOWWUPGQVGHPQ-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)C[NH+]1CCCC1 ZINC000059931040 386463672 /nfs/dbraw/zinc/46/36/72/386463672.db2.gz PCJFODZNTORGRZ-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CCN(CC)CC(=O)N1CCN[C@H](C)C1 ZINC000188453478 386581310 /nfs/dbraw/zinc/58/13/10/386581310.db2.gz MYCTUIVPMILQHC-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCN[C@H](C)C1 ZINC000188453478 386581319 /nfs/dbraw/zinc/58/13/19/386581319.db2.gz MYCTUIVPMILQHC-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO O=C(NC[C@H]1CC[NH2+]C1)C12CCCN1CCC2 ZINC000335415656 386581870 /nfs/dbraw/zinc/58/18/70/386581870.db2.gz VFMBNKWXSKYPSB-NSHDSACASA-N 1 3 237.347 0.341 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000335416559 386585306 /nfs/dbraw/zinc/58/53/06/386585306.db2.gz HOJKBKFDTAFJFX-WCQYABFASA-N 1 3 245.326 0.433 20 0 BCADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000335419580 386589208 /nfs/dbraw/zinc/58/92/08/386589208.db2.gz VYBCYVNOBCLALZ-LBPRGKRZSA-N 1 3 239.363 0.526 20 0 BCADHO CC1CCN(CC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000335419578 386589782 /nfs/dbraw/zinc/58/97/82/386589782.db2.gz VYBCYVNOBCLALZ-GFCCVEGCSA-N 1 3 239.363 0.526 20 0 BCADHO C[C@@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH2+]C1 ZINC000062902556 386531157 /nfs/dbraw/zinc/53/11/57/386531157.db2.gz LXBXADPUNNTOBY-ZWNOBZJWSA-N 1 3 237.347 0.339 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)CNC2CC2)CC1 ZINC000519691123 386533886 /nfs/dbraw/zinc/53/38/86/386533886.db2.gz MABJKBXJSDHTMR-XYPYZODXSA-N 1 3 239.363 0.620 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000062972553 386536422 /nfs/dbraw/zinc/53/64/22/386536422.db2.gz KLHBXSRYUHKBSO-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417681831 386538611 /nfs/dbraw/zinc/53/86/11/386538611.db2.gz KDYCPSHGSCQPFA-VHSXEESVSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417681829 386539301 /nfs/dbraw/zinc/53/93/01/386539301.db2.gz KDYCPSHGSCQPFA-NXEZZACHSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H]([NH3+])CN1CCc2ccccc2[C@H]1CN ZINC000335405056 386561773 /nfs/dbraw/zinc/56/17/73/386561773.db2.gz CATRXFYHMXUVQE-ZWNOBZJWSA-N 1 3 219.332 0.892 20 0 BCADHO CC1(C)CN(CC[NH2+]C2CCNCC2)CCO1 ZINC000415074806 386567562 /nfs/dbraw/zinc/56/75/62/386567562.db2.gz AIHXOYMQPOSAPF-UHFFFAOYSA-N 1 3 241.379 0.439 20 0 BCADHO CN(C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062851752 386636061 /nfs/dbraw/zinc/63/60/61/386636061.db2.gz IXEVTNCRPHDYQM-LLVKDONJSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@@H]1CN(C(=O)C23CCCN2CCC3)C[C@@H]1[NH3+] ZINC000335511859 386646636 /nfs/dbraw/zinc/64/66/36/386646636.db2.gz AWIOJXHPSYTNSK-MNOVXSKESA-N 1 3 237.347 0.420 20 0 BCADHO C[C@H]1CN(C(=O)C23CCCN2CCC3)C[C@H]1[NH3+] ZINC000335511861 386646913 /nfs/dbraw/zinc/64/69/13/386646913.db2.gz AWIOJXHPSYTNSK-WDEREUQCSA-N 1 3 237.347 0.420 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335515060 386652419 /nfs/dbraw/zinc/65/24/19/386652419.db2.gz GGTIDRRGOWLBPU-NXEZZACHSA-N 1 3 213.325 0.132 20 0 BCADHO CC(C)C[C@@H](C)CN(C)C[C@@H](O)C[NH3+] ZINC000336644900 386600044 /nfs/dbraw/zinc/60/00/44/386600044.db2.gz AUXOINLHSQEBFO-MNOVXSKESA-N 1 3 202.342 0.920 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000335522469 386665041 /nfs/dbraw/zinc/66/50/41/386665041.db2.gz VOOORLGSESFFMK-TXEJJXNPSA-N 1 3 239.363 0.524 20 0 BCADHO CC1(C)CN(C(=O)C2(C[NH3+])CCCC2)CCN1 ZINC000335526079 386670251 /nfs/dbraw/zinc/67/02/51/386670251.db2.gz TYRWZZILXWZNCR-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CCN(CCN1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000042308886 386679384 /nfs/dbraw/zinc/67/93/84/386679384.db2.gz TXZCQXYIKAVAQL-CYBMUJFWSA-N 1 3 241.379 0.393 20 0 BCADHO CC(C)N1CCCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000335520124 386656864 /nfs/dbraw/zinc/65/68/64/386656864.db2.gz DWAQCQMTHQCHLX-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@]1(F)CNCCN(CC2(C[NH3+])CC2)C1 ZINC000335480243 386707205 /nfs/dbraw/zinc/70/72/05/386707205.db2.gz MOUXXJFBSHRGFE-JTQLQIEISA-N 1 3 215.316 0.359 20 0 BCADHO C[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335480631 386708013 /nfs/dbraw/zinc/70/80/13/386708013.db2.gz RERHAMKZFGLFKB-KPPDAEKUSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645105484 386724965 /nfs/dbraw/zinc/72/49/65/386724965.db2.gz RLXZMFGTWBLDPX-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(C[NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044752375 386727816 /nfs/dbraw/zinc/72/78/16/386727816.db2.gz JEJHJKADJAQLKB-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509542 386746232 /nfs/dbraw/zinc/74/62/32/386746232.db2.gz SRZFATARVMFJQC-SNVBAGLBSA-N 1 3 223.320 0.139 20 0 BCADHO NC1(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000638508635 386749061 /nfs/dbraw/zinc/74/90/61/386749061.db2.gz OOMWGZNJKAZQTH-VIFPVBQESA-N 1 3 223.320 0.269 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000357253945 386749354 /nfs/dbraw/zinc/74/93/54/386749354.db2.gz XOUNVTPTMWGLGA-GXSJLCMTSA-N 1 3 225.336 0.276 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357302121 386756625 /nfs/dbraw/zinc/75/66/25/386756625.db2.gz PSFIRIYGJSIHLQ-VPOLOUISSA-N 1 3 227.352 0.617 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC000336664327 386761832 /nfs/dbraw/zinc/76/18/32/386761832.db2.gz DVHZPVHCWZHVMS-VIFPVBQESA-N 1 3 201.314 0.051 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417800894 386762727 /nfs/dbraw/zinc/76/27/27/386762727.db2.gz TXMHPXRZOCGYFH-GARJFASQSA-N 1 3 227.352 0.346 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000417828624 386790691 /nfs/dbraw/zinc/79/06/91/386790691.db2.gz FQWAZZHIRCIPBR-GZMMTYOYSA-N 1 3 225.336 0.323 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417837157 386795987 /nfs/dbraw/zinc/79/59/87/386795987.db2.gz XLYANVNXFKMXNN-AXFHLTTASA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000417827136 386784671 /nfs/dbraw/zinc/78/46/71/386784671.db2.gz CVAPQGDUEUNYCU-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C[C@@H]1C[NH3+] ZINC000417827146 386784943 /nfs/dbraw/zinc/78/49/43/386784943.db2.gz CVAPQGDUEUNYCU-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418000672 386818607 /nfs/dbraw/zinc/81/86/07/386818607.db2.gz JRPMIOZISLCSCU-OUAUKWLOSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417841521 386800256 /nfs/dbraw/zinc/80/02/56/386800256.db2.gz XLXMFAZIWHHQSB-RHYQMDGZSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417841823 386800577 /nfs/dbraw/zinc/80/05/77/386800577.db2.gz UGZSROQCRDBSLF-BXKDBHETSA-N 1 3 239.363 0.761 20 0 BCADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)C1(N)CC1 ZINC000417843858 386800599 /nfs/dbraw/zinc/80/05/99/386800599.db2.gz VVXXVDIWUIHASB-LBPRGKRZSA-N 1 3 247.342 0.856 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417847420 386804198 /nfs/dbraw/zinc/80/41/98/386804198.db2.gz UQOWEOKDLFITBD-RCWTZXSCSA-N 1 3 225.336 0.323 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000417847091 386804967 /nfs/dbraw/zinc/80/49/67/386804967.db2.gz ZBBNBESUPPDURA-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](CN)c1ccccc1 ZINC000417845532 386805305 /nfs/dbraw/zinc/80/53/05/386805305.db2.gz RZEYPEPDJJOOSS-UHTWSYAYSA-N 1 3 247.342 0.677 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](CN)c1ccccc1 ZINC000417845531 386805891 /nfs/dbraw/zinc/80/58/91/386805891.db2.gz RZEYPEPDJJOOSS-DRZSPHRISA-N 1 3 247.342 0.677 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCCN1C ZINC000417993828 386810424 /nfs/dbraw/zinc/81/04/24/386810424.db2.gz BBMYQEVVBLNDOX-GMTAPVOTSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(C)CC1 ZINC000349526604 386853087 /nfs/dbraw/zinc/85/30/87/386853087.db2.gz QJDZBMLCYWXOEC-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366554727 386831040 /nfs/dbraw/zinc/83/10/40/386831040.db2.gz KVHSDMZGRGLWEH-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366555787 386834161 /nfs/dbraw/zinc/83/41/61/386834161.db2.gz NLEHUBXBLGVQFM-UWVGGRQHSA-N 1 3 231.315 0.144 20 0 BCADHO C[C@H]1[C@@H](NC(=O)N(C)CC[NH3+])CCCN1C ZINC000418009663 386884230 /nfs/dbraw/zinc/88/42/30/386884230.db2.gz UYIWQYBNIRAZBR-UWVGGRQHSA-N 1 3 228.340 0.069 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852659 386902766 /nfs/dbraw/zinc/90/27/66/386902766.db2.gz XDEIIEYJVORAAF-RYUDHWBXSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000334852659 386902769 /nfs/dbraw/zinc/90/27/69/386902769.db2.gz XDEIIEYJVORAAF-RYUDHWBXSA-N 1 3 224.348 0.927 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418012779 386907476 /nfs/dbraw/zinc/90/74/76/386907476.db2.gz YKNSVOBQXYXWLB-OPRDCNLKSA-N 1 3 228.340 0.116 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368104196 386942737 /nfs/dbraw/zinc/94/27/37/386942737.db2.gz CKZWEUFBNMBPNI-RYUDHWBXSA-N 1 3 239.363 0.396 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000368261041 386955349 /nfs/dbraw/zinc/95/53/49/386955349.db2.gz AGTILRWZKHFUMX-ZRUFSTJUSA-N 1 3 225.336 0.310 20 0 BCADHO [NH3+]CC1(CC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000514598980 387007267 /nfs/dbraw/zinc/00/72/67/387007267.db2.gz HJKLRLKVZMTTBS-SNVBAGLBSA-N 1 3 237.347 0.468 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@]1(F)CCNC1 ZINC000368453513 386974729 /nfs/dbraw/zinc/97/47/29/386974729.db2.gz KPUSQIHRWAEXBN-KOLCDFICSA-N 1 3 231.315 0.144 20 0 BCADHO C[C@H](C[NH2+][C@H](C)CC(N)=O)CN1CCCCC1 ZINC000341888828 386983738 /nfs/dbraw/zinc/98/37/38/386983738.db2.gz NGXAERZNAXLGEZ-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CN[C@H](C)CC(N)=O)C[NH+]1CCCCC1 ZINC000341888828 386983741 /nfs/dbraw/zinc/98/37/41/386983741.db2.gz NGXAERZNAXLGEZ-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]([NH3+])C1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000104444674 387004878 /nfs/dbraw/zinc/00/48/78/387004878.db2.gz YAZJZORKRNRJDS-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCNC(C)(C)C1 ZINC000334953672 387030376 /nfs/dbraw/zinc/03/03/76/387030376.db2.gz SVPGWFKTRLQYGJ-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398998474 387037306 /nfs/dbraw/zinc/03/73/06/387037306.db2.gz BKLDRYRWUGVMHR-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398998474 387037310 /nfs/dbraw/zinc/03/73/10/387037310.db2.gz BKLDRYRWUGVMHR-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO COCC[C@@H](C)N1CCCO[C@H](C[NH3+])C1 ZINC000313388937 387051186 /nfs/dbraw/zinc/05/11/86/387051186.db2.gz LWLHCIULHGENBD-GHMZBOCLSA-N 1 3 216.325 0.461 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCC(C)(C)[NH3+] ZINC000648107967 387051971 /nfs/dbraw/zinc/05/19/71/387051971.db2.gz HTJMBUZECWCALG-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)C1CCC1 ZINC000399085609 387054441 /nfs/dbraw/zinc/05/44/41/387054441.db2.gz RCUVZCWXJNYRQT-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CC1(C)CN(C(=O)NCC2([NH3+])CCC2)CCN1 ZINC000334934302 387010218 /nfs/dbraw/zinc/01/02/18/387010218.db2.gz YJWQAZBBEDTZRI-UHFFFAOYSA-N 1 3 240.351 0.261 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000368806466 387012219 /nfs/dbraw/zinc/01/22/19/387012219.db2.gz NZPVEXIRFFKWPM-JQWIXIFHSA-N 1 3 225.336 0.054 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1CNCCC1(F)F ZINC000648105470 387024239 /nfs/dbraw/zinc/02/42/39/387024239.db2.gz BDBRBEWWMRTXEJ-SECBINFHSA-N 1 3 249.305 0.347 20 0 BCADHO CCN(CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000417427480 387090755 /nfs/dbraw/zinc/09/07/55/387090755.db2.gz JCUVMXKRIYZZJO-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370664558 387131239 /nfs/dbraw/zinc/13/12/39/387131239.db2.gz IFGYPZCEIDVALY-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000068107079 387100211 /nfs/dbraw/zinc/10/02/11/387100211.db2.gz DJICZZUVICSGQK-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228543454 387103295 /nfs/dbraw/zinc/10/32/95/387103295.db2.gz GKGTVZTYFKPGBH-QJPTWQEYSA-N 1 3 240.347 0.999 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000370661001 387131782 /nfs/dbraw/zinc/13/17/82/387131782.db2.gz ZSIJTCFBGZLGRM-RKDXNWHRSA-N 1 3 248.330 0.649 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000334950431 387114704 /nfs/dbraw/zinc/11/47/04/387114704.db2.gz LHEXOOJTABRGAE-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423308048 387142656 /nfs/dbraw/zinc/14/26/56/387142656.db2.gz XENIDKKPRFSLPM-GMXVVIOVSA-N 1 3 223.364 0.811 20 0 BCADHO COCCNCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000423314145 387154868 /nfs/dbraw/zinc/15/48/68/387154868.db2.gz GRSAELUKEUIUJG-JHJVBQTASA-N 1 3 243.395 0.541 20 0 BCADHO C[NH+](C)[C@]1(CNC(=O)C2(N)CC2)CCSC1 ZINC000353211650 387158709 /nfs/dbraw/zinc/15/87/09/387158709.db2.gz IMEGWQUXJRCFHV-JTQLQIEISA-N 1 3 243.376 0.031 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261763 387184190 /nfs/dbraw/zinc/18/41/90/387184190.db2.gz CRMCSGUUJVWIQA-GARJFASQSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371261763 387184193 /nfs/dbraw/zinc/18/41/93/387184193.db2.gz CRMCSGUUJVWIQA-GARJFASQSA-N 1 3 225.336 0.419 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972440 387189621 /nfs/dbraw/zinc/18/96/21/387189621.db2.gz YYUFRSWATSGNFV-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H]1CCCCN1CC ZINC000571879958 387191502 /nfs/dbraw/zinc/19/15/02/387191502.db2.gz DUJSTDNMMIMELF-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@H](C[NH3+])CN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423305004 387139149 /nfs/dbraw/zinc/13/91/49/387139149.db2.gz ZXECVMNEDAPHCW-MXWKQRLJSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C(N)C(F)(F)F ZINC000353447013 387205354 /nfs/dbraw/zinc/20/53/54/387205354.db2.gz KTVKRJOOLLTZCR-RQJHMYQMSA-N 1 3 241.257 0.332 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000300409846 387205682 /nfs/dbraw/zinc/20/56/82/387205682.db2.gz BZBKUXGHTDSPSR-MROQNXINSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000300409846 387205686 /nfs/dbraw/zinc/20/56/86/387205686.db2.gz BZBKUXGHTDSPSR-MROQNXINSA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000353461099 387206497 /nfs/dbraw/zinc/20/64/97/387206497.db2.gz ADSLTUHQEINCHR-XVMARJQXSA-N 1 3 239.241 0.133 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000353461098 387206584 /nfs/dbraw/zinc/20/65/84/387206584.db2.gz ADSLTUHQEINCHR-RRKCRQDMSA-N 1 3 239.241 0.133 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000353476122 387209438 /nfs/dbraw/zinc/20/94/38/387209438.db2.gz YLFZATRSEHQYNK-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1C[C@@H](C)[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423361226 387212396 /nfs/dbraw/zinc/21/23/96/387212396.db2.gz RIFYWLYSTIMCIR-UTUOFQBUSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000418203805 387216999 /nfs/dbraw/zinc/21/69/99/387216999.db2.gz KQAMLLGCMHOSPE-QWRGUYRKSA-N 1 3 244.383 0.609 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418206147 387220411 /nfs/dbraw/zinc/22/04/11/387220411.db2.gz OCXUSVOSVMDUIR-DCAQKATOSA-N 1 3 242.367 0.315 20 0 BCADHO COCC[C@@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423428014 387253170 /nfs/dbraw/zinc/25/31/70/387253170.db2.gz IVHIEWAJPITYDJ-IEECTRCBSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H](N)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000353574842 387228969 /nfs/dbraw/zinc/22/89/69/387228969.db2.gz DFEVBKWXABMSIF-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO CC[NH2+][C@H](C)CN[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000423399511 387233904 /nfs/dbraw/zinc/23/39/04/387233904.db2.gz WHJOXRMGOQRFGA-WXHSDQCUSA-N 1 3 241.379 0.341 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000572122232 387239697 /nfs/dbraw/zinc/23/96/97/387239697.db2.gz WKRGGXWKJYIHDQ-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)[C@H](C)[NH3+] ZINC000230216538 387250032 /nfs/dbraw/zinc/25/00/32/387250032.db2.gz WAYFBENRTKQFMQ-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1C1CC1 ZINC000423425031 387251850 /nfs/dbraw/zinc/25/18/50/387251850.db2.gz GIMQLTKHBLGZIO-RPLXWKFWSA-N 1 3 221.348 0.419 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCN[C@@H]2C)C1 ZINC000423374256 387196553 /nfs/dbraw/zinc/19/65/53/387196553.db2.gz JQXUMFAMCDVNGZ-FRRDWIJNSA-N 1 3 241.379 0.437 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000372595157 387314691 /nfs/dbraw/zinc/31/46/91/387314691.db2.gz YFJKCUOUOHCYBA-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188185941 387256526 /nfs/dbraw/zinc/25/65/26/387256526.db2.gz WGVUUHQKFQPAIC-ZRUFSTJUSA-N 1 3 243.326 0.272 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188186845 387257654 /nfs/dbraw/zinc/25/76/54/387257654.db2.gz PZAGXJSBVHYKOH-HBNTYKKESA-N 1 3 245.342 0.518 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000648119978 387262741 /nfs/dbraw/zinc/26/27/41/387262741.db2.gz HYPOGRBTDRMZEI-MXWKQRLJSA-N 1 3 227.352 0.618 20 0 BCADHO C[NH+](C)CC1CCC(NC(=O)C2(N)CC2)CC1 ZINC000353743137 387266839 /nfs/dbraw/zinc/26/68/39/387266839.db2.gz HELLTQDFXNGPOC-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000645684961 387270226 /nfs/dbraw/zinc/27/02/26/387270226.db2.gz PARJQVVLACRSEW-DMDPSCGWSA-N 1 3 237.347 0.196 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000645684863 387270393 /nfs/dbraw/zinc/27/03/93/387270393.db2.gz JSOMRTBYEPSAAP-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000372099015 387273095 /nfs/dbraw/zinc/27/30/95/387273095.db2.gz PZTXZLKKSMIIAH-PWSUYJOCSA-N 1 3 243.326 0.241 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000372099013 387273391 /nfs/dbraw/zinc/27/33/91/387273391.db2.gz PZTXZLKKSMIIAH-CMPLNLGQSA-N 1 3 243.326 0.241 20 0 BCADHO CC1([NH3+])CCN(C(=O)C2(N)CCCCC2)CC1 ZINC000648120870 387281301 /nfs/dbraw/zinc/28/13/01/387281301.db2.gz ULLBBOBDZBRDAB-UHFFFAOYSA-N 1 3 239.363 0.988 20 0 BCADHO CC1([NH3+])CCN(C(=O)C2(N)CCCC2)CC1 ZINC000648120847 387281945 /nfs/dbraw/zinc/28/19/45/387281945.db2.gz SRUWWUSOJQDPAY-UHFFFAOYSA-N 1 3 225.336 0.598 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423438556 387287720 /nfs/dbraw/zinc/28/77/20/387287720.db2.gz VAUPXQNCFWQKOJ-RNJOBUHISA-N 1 3 242.363 0.362 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CNC[C@@H]1O ZINC000423438556 387287723 /nfs/dbraw/zinc/28/77/23/387287723.db2.gz VAUPXQNCFWQKOJ-RNJOBUHISA-N 1 3 242.363 0.362 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000514789790 387287833 /nfs/dbraw/zinc/28/78/33/387287833.db2.gz SLAVQAYVLWAXJM-VWYCJHECSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423438097 387288788 /nfs/dbraw/zinc/28/87/88/387288788.db2.gz GTKOIQLCEFAWHK-RCWTZXSCSA-N 1 3 211.353 0.937 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423438097 387288791 /nfs/dbraw/zinc/28/87/91/387288791.db2.gz GTKOIQLCEFAWHK-RCWTZXSCSA-N 1 3 211.353 0.937 20 0 BCADHO C[C@@H](CC(N)=O)NC1CC[NH+](C2CCC2)CC1 ZINC000360496613 387298783 /nfs/dbraw/zinc/29/87/83/387298783.db2.gz UJINEAKXUKOVTB-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1C1CC1 ZINC000423451331 387299012 /nfs/dbraw/zinc/29/90/12/387299012.db2.gz GIMQLTKHBLGZIO-WXDOIIRRSA-N 1 3 221.348 0.419 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000514865436 387302322 /nfs/dbraw/zinc/30/23/22/387302322.db2.gz UWKANUWXIDWLQF-UTUOFQBUSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502088 387355895 /nfs/dbraw/zinc/35/58/95/387355895.db2.gz XFFOKQRVZSBIKP-IJLUTSLNSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)N(C)CC(=O)NCCC[NH+]1CCCC1 ZINC000354325673 387358969 /nfs/dbraw/zinc/35/89/69/387358969.db2.gz WWRWROBBKPCIKY-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCCCN1 ZINC000643502232 387364027 /nfs/dbraw/zinc/36/40/27/387364027.db2.gz AQBZTJKMRCHJHK-FRRDWIJNSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)NC[C@@H]1CCCC[NH2+]1 ZINC000643502232 387364031 /nfs/dbraw/zinc/36/40/31/387364031.db2.gz AQBZTJKMRCHJHK-FRRDWIJNSA-N 1 3 241.379 0.485 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000423548279 387369792 /nfs/dbraw/zinc/36/97/92/387369792.db2.gz MKXHQXKGAVAWHX-IJLUTSLNSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](NC[C@H]1CNCCO1)[C@H]1CCCC[NH2+]1 ZINC000423571216 387380270 /nfs/dbraw/zinc/38/02/70/387380270.db2.gz NGSPENQVFLFISB-QJPTWQEYSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423589287 387382206 /nfs/dbraw/zinc/38/22/06/387382206.db2.gz HDQRYWGUCFOPTD-ONGXEEELSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@H](N)CC1CCCCC1 ZINC000423589285 387382389 /nfs/dbraw/zinc/38/23/89/387382389.db2.gz HDQRYWGUCFOPTD-GXSJLCMTSA-N 1 3 227.352 0.748 20 0 BCADHO Cn1nncc1CNC1CCC([NH+](C)C)CC1 ZINC000352581759 387342325 /nfs/dbraw/zinc/34/23/25/387342325.db2.gz YXNPQBFSMIYUKT-UHFFFAOYSA-N 1 3 237.351 0.778 20 0 BCADHO NCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000515174115 387344147 /nfs/dbraw/zinc/34/41/47/387344147.db2.gz GJWYTAJGGHSNQD-UHFFFAOYSA-N 1 3 248.330 0.373 20 0 BCADHO C[C@@H](NC[C@H]1CNCCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507099 387344726 /nfs/dbraw/zinc/34/47/26/387344726.db2.gz HPJYHWYXOZNWIF-JHJVBQTASA-N 1 3 240.395 0.010 20 0 BCADHO CCC[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)N(C)C ZINC000423581279 387383812 /nfs/dbraw/zinc/38/38/12/387383812.db2.gz BUWXGGCFJXNBBL-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572378714 387352112 /nfs/dbraw/zinc/35/21/12/387352112.db2.gz PERKYIYQUCQUNR-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)(C)CC[N@H+]1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572378714 387352117 /nfs/dbraw/zinc/35/21/17/387352117.db2.gz PERKYIYQUCQUNR-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572378712 387352470 /nfs/dbraw/zinc/35/24/70/387352470.db2.gz PERKYIYQUCQUNR-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)(C)CC[N@H+]1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572378712 387352477 /nfs/dbraw/zinc/35/24/77/387352477.db2.gz PERKYIYQUCQUNR-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423844577 387435089 /nfs/dbraw/zinc/43/50/89/387435089.db2.gz JDQPQCHMQXOTHW-VHSXEESVSA-N 1 3 227.352 0.522 20 0 BCADHO C[NH2+]CCC(=O)N(C)CCN(C)C1CC1 ZINC000423847191 387435398 /nfs/dbraw/zinc/43/53/98/387435398.db2.gz MDBLMQYLCNABKN-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CC[N@H+](C)CCNC(=O)NCCN(C)C1CC1 ZINC000352686463 387438402 /nfs/dbraw/zinc/43/84/02/387438402.db2.gz ZYILXLZHEGELSJ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[N@@H+](C)CCNC(=O)NCCN(C)C1CC1 ZINC000352686463 387438407 /nfs/dbraw/zinc/43/84/07/387438407.db2.gz ZYILXLZHEGELSJ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084215776 387441505 /nfs/dbraw/zinc/44/15/05/387441505.db2.gz WNDHGJBZHXQZDZ-OUAUKWLOSA-N 1 3 200.326 0.864 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423954549 387458223 /nfs/dbraw/zinc/45/82/23/387458223.db2.gz KIJBKHLSMUAXRK-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423957784 387458276 /nfs/dbraw/zinc/45/82/76/387458276.db2.gz PUIYXGRFZOVWDT-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(C)C ZINC000423971796 387459156 /nfs/dbraw/zinc/45/91/56/387459156.db2.gz HKBNZTWGCVWLFK-MXWKQRLJSA-N 1 3 227.352 0.378 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423963312 387459888 /nfs/dbraw/zinc/45/98/88/387459888.db2.gz PNRNDJDCUAZLMA-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)C ZINC000423611896 387388132 /nfs/dbraw/zinc/38/81/32/387388132.db2.gz ORZFXTZULBWUQB-YPMHNXCESA-N 1 3 241.379 0.914 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]C)N(C)C ZINC000423625430 387388960 /nfs/dbraw/zinc/38/89/60/387388960.db2.gz FPWBQVCSXYTWIU-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCN(C)C)cc1 ZINC000423628829 387389234 /nfs/dbraw/zinc/38/92/34/387389234.db2.gz AYZFNNYYPWQDLM-SNVBAGLBSA-N 1 3 235.331 0.998 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423656641 387392638 /nfs/dbraw/zinc/39/26/38/387392638.db2.gz XICAELQFNMYBCA-SDDRHHMPSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000423740689 387404666 /nfs/dbraw/zinc/40/46/66/387404666.db2.gz JESZPWSFXPSACW-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCc1ccc(CN(C)C)cc1 ZINC000423736555 387404731 /nfs/dbraw/zinc/40/47/31/387404731.db2.gz SNKZKCULCYNQCD-LLVKDONJSA-N 1 3 249.358 0.959 20 0 BCADHO CNC[C@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515649842 387413735 /nfs/dbraw/zinc/41/37/35/387413735.db2.gz BZXMEXFIXLDARR-RYUDHWBXSA-N 1 3 230.352 0.098 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000040924905 387500562 /nfs/dbraw/zinc/50/05/62/387500562.db2.gz YQRJJVJXAYZDDE-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000040924905 387500565 /nfs/dbraw/zinc/50/05/65/387500565.db2.gz YQRJJVJXAYZDDE-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000122050038 387462844 /nfs/dbraw/zinc/46/28/44/387462844.db2.gz WYHQPIJZFQEASI-LLVKDONJSA-N 1 3 229.368 0.641 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC000122050038 387462848 /nfs/dbraw/zinc/46/28/48/387462848.db2.gz WYHQPIJZFQEASI-LLVKDONJSA-N 1 3 229.368 0.641 20 0 BCADHO CC(C)[C@H](C(=O)N(C)CC[NH3+])N1CCCCC1 ZINC000424002160 387463702 /nfs/dbraw/zinc/46/37/02/387463702.db2.gz IGGCOKXQLDHSMR-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423997940 387463716 /nfs/dbraw/zinc/46/37/16/387463716.db2.gz MABJEPWHWUAXAH-NEPJUHHUSA-N 1 3 241.379 0.772 20 0 BCADHO C[NH2+]CCCN(C)C(=O)CN1CCC(C)CC1 ZINC000424019074 387466980 /nfs/dbraw/zinc/46/69/80/387466980.db2.gz KVJXHFPPBIDYEV-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424083328 387482168 /nfs/dbraw/zinc/48/21/68/387482168.db2.gz WZGWGMVDYXWGLZ-CKYFFXLPSA-N 1 3 227.352 0.761 20 0 BCADHO C(C[NH2+]C1CC1)N[C@H](C1CC1)[C@H]1CNCCO1 ZINC000643508119 387483463 /nfs/dbraw/zinc/48/34/63/387483463.db2.gz MJDHTYUAOXWVHW-CHWSQXEVSA-N 1 3 239.363 0.095 20 0 BCADHO C(C[NH2+]C1CC1)N[C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000643508122 387483785 /nfs/dbraw/zinc/48/37/85/387483785.db2.gz MJDHTYUAOXWVHW-STQMWFEESA-N 1 3 239.363 0.095 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000040831325 387583930 /nfs/dbraw/zinc/58/39/30/387583930.db2.gz XGRXEPLRDKFOKA-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO CN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1C1CC1 ZINC000426686566 387585918 /nfs/dbraw/zinc/58/59/18/387585918.db2.gz GAOZNKKHGVPZTD-LBPRGKRZSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)C1CCC1 ZINC000422539432 387596357 /nfs/dbraw/zinc/59/63/57/387596357.db2.gz KJSGPXVSAJDQAL-ZJUUUORDSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)C1CCC1 ZINC000422539430 387596604 /nfs/dbraw/zinc/59/66/04/387596604.db2.gz KJSGPXVSAJDQAL-UWVGGRQHSA-N 1 3 213.325 0.213 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000422541425 387596784 /nfs/dbraw/zinc/59/67/84/387596784.db2.gz OFUHMAJZSURALS-QWRGUYRKSA-N 1 3 227.352 0.748 20 0 BCADHO CNCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422541076 387597239 /nfs/dbraw/zinc/59/72/39/387597239.db2.gz NIOAFTHCXGPQKH-UTLUCORTSA-N 1 3 213.325 0.038 20 0 BCADHO C[NH+](C)CC1CCN(CCOCCO)CC1 ZINC000042396138 387628807 /nfs/dbraw/zinc/62/88/07/387628807.db2.gz IPRRSHAWZWFYSI-UHFFFAOYSA-N 1 3 230.352 0.269 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422599962 387604509 /nfs/dbraw/zinc/60/45/09/387604509.db2.gz SFAOZTKUQQJEIV-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO C[NH2+]CCCNC(=O)N(C)C[C@H]1CCCN1C ZINC000422605589 387605493 /nfs/dbraw/zinc/60/54/93/387605493.db2.gz GITNZPJEXQEMGB-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N(C)C[C@@H]1CCCN1C ZINC000422614449 387606595 /nfs/dbraw/zinc/60/65/95/387606595.db2.gz YQVCKGUWZKYXKO-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N(C)C[C@H]1CCCN1C ZINC000422610833 387607548 /nfs/dbraw/zinc/60/75/48/387607548.db2.gz QWPONOHWQKLKKO-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CC1(C)COCCN1CCN[C@@H]1CCC[C@H]1[NH3+] ZINC000422716974 387629446 /nfs/dbraw/zinc/62/94/46/387629446.db2.gz VBEWELUKZXXHDK-VXGBXAGGSA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCOCC1(C)C ZINC000422712278 387624950 /nfs/dbraw/zinc/62/49/50/387624950.db2.gz NUMWMEXKYOPOJN-NEPJUHHUSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCSCC1 ZINC000422712496 387626184 /nfs/dbraw/zinc/62/61/84/387626184.db2.gz OILJVMSZYZYFTK-QWRGUYRKSA-N 1 3 231.409 0.751 20 0 BCADHO [NH3+]Cc1ccc(C(=O)N2CCCNCC2)cc1 ZINC000035738377 387553226 /nfs/dbraw/zinc/55/32/26/387553226.db2.gz UAVYASSYWWRLPE-UHFFFAOYSA-N 1 3 233.315 0.581 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000355741509 387574627 /nfs/dbraw/zinc/57/46/27/387574627.db2.gz MIOZFNSKQAPWRP-NSHDSACASA-N 1 3 229.368 0.642 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422728366 387638906 /nfs/dbraw/zinc/63/89/06/387638906.db2.gz FYRFVDFOVVCCTO-VXGBXAGGSA-N 1 3 241.379 0.880 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)C1(N)CCCC1)C1CC1 ZINC000430690573 387640525 /nfs/dbraw/zinc/64/05/25/387640525.db2.gz IKHARPVHOACPQD-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCN1CCOCC1 ZINC000422735626 387642694 /nfs/dbraw/zinc/64/26/94/387642694.db2.gz WJKBNCBPLXCSDR-STQMWFEESA-N 1 3 241.379 0.296 20 0 BCADHO CC[C@H](N)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000430721983 387645256 /nfs/dbraw/zinc/64/52/56/387645256.db2.gz MBKXPMZCWBFQCQ-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO COC[C@](C)(CCO)NCC[C@@H]1CCC[N@@H+]1C ZINC000125181312 387646404 /nfs/dbraw/zinc/64/64/04/387646404.db2.gz PVDJRJMRUIUHRJ-STQMWFEESA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@](C)(CCO)NCC[C@@H]1CCC[N@H+]1C ZINC000125181312 387646409 /nfs/dbraw/zinc/64/64/09/387646409.db2.gz PVDJRJMRUIUHRJ-STQMWFEESA-N 1 3 244.379 0.848 20 0 BCADHO COC[C@](C)(CCO)[NH2+]CC[C@@H]1CCCN1C ZINC000125181312 387646414 /nfs/dbraw/zinc/64/64/14/387646414.db2.gz PVDJRJMRUIUHRJ-STQMWFEESA-N 1 3 244.379 0.848 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430749852 387647892 /nfs/dbraw/zinc/64/78/92/387647892.db2.gz XQBUVZPRLSIDPC-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000430749852 387647896 /nfs/dbraw/zinc/64/78/96/387647896.db2.gz XQBUVZPRLSIDPC-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422740214 387648785 /nfs/dbraw/zinc/64/87/85/387648785.db2.gz BCFQGCDJZBLEHL-GHMZBOCLSA-N 1 3 239.363 0.749 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC)C[C@H]1C ZINC000430796235 387651533 /nfs/dbraw/zinc/65/15/33/387651533.db2.gz KBFMNTYSUZPYOJ-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC)C[C@H]1C ZINC000430796235 387651537 /nfs/dbraw/zinc/65/15/37/387651537.db2.gz KBFMNTYSUZPYOJ-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N(C)C ZINC000422746813 387651874 /nfs/dbraw/zinc/65/18/74/387651874.db2.gz OIVWZNUIRXRZAR-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO COCCCN(C)CCNC(=O)C(C)(C)C[NH3+] ZINC000430805947 387654632 /nfs/dbraw/zinc/65/46/32/387654632.db2.gz BAAOOTFCKXKJJS-UHFFFAOYSA-N 1 3 245.367 0.056 20 0 BCADHO C[C@H](NC[C@@H](O)CC(C)(C)C)C1C[NH2+]C1 ZINC000422752269 387655653 /nfs/dbraw/zinc/65/56/53/387655653.db2.gz CMFLOPXREWRJPV-ONGXEEELSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C1CNC1 ZINC000422752269 387655658 /nfs/dbraw/zinc/65/56/58/387655658.db2.gz CMFLOPXREWRJPV-ONGXEEELSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H](NC[C@@H](O)CC(C)(C)C)C1C[NH2+]C1 ZINC000422752267 387656442 /nfs/dbraw/zinc/65/64/42/387656442.db2.gz CMFLOPXREWRJPV-KOLCDFICSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)C1CNC1 ZINC000422752267 387656446 /nfs/dbraw/zinc/65/64/46/387656446.db2.gz CMFLOPXREWRJPV-KOLCDFICSA-N 1 3 214.353 0.981 20 0 BCADHO CCC[C@@H](C(=O)NCC[NH2+]CC)N(C)C ZINC000422788725 387656477 /nfs/dbraw/zinc/65/64/77/387656477.db2.gz RHCQPOAIEBVQHY-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430899995 387659029 /nfs/dbraw/zinc/65/90/29/387659029.db2.gz OCAGDRRPDXBYEN-MNOVXSKESA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422761698 387663177 /nfs/dbraw/zinc/66/31/77/387663177.db2.gz RMDAKBBSBGKIKI-VXGBXAGGSA-N 1 3 241.379 0.736 20 0 BCADHO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@H]1CCCCN1 ZINC000422765327 387666802 /nfs/dbraw/zinc/66/68/02/387666802.db2.gz OVSFSHHCVITDHH-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@H](O)CCN[C@H]1CCC[C@@H]1[NH3+] ZINC000422776546 387674693 /nfs/dbraw/zinc/67/46/93/387674693.db2.gz CWEZACPAHWDGFH-GARJFASQSA-N 1 3 200.326 0.863 20 0 BCADHO c1cn(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nn1 ZINC000126522816 387685965 /nfs/dbraw/zinc/68/59/65/387685965.db2.gz KNMWYYHRIHHEKP-QWHCGFSZSA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1 ZINC000126522816 387685966 /nfs/dbraw/zinc/68/59/66/387685966.db2.gz KNMWYYHRIHHEKP-QWHCGFSZSA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)nn1 ZINC000126522816 387685970 /nfs/dbraw/zinc/68/59/70/387685970.db2.gz KNMWYYHRIHHEKP-QWHCGFSZSA-N 1 3 249.362 0.885 20 0 BCADHO CN(C)CCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422743140 387690404 /nfs/dbraw/zinc/69/04/04/387690404.db2.gz HZRHXBWSIYJMEF-OLZOCXBDSA-N 1 3 241.379 0.295 20 0 BCADHO CCN(CC)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422744804 387692925 /nfs/dbraw/zinc/69/29/25/387692925.db2.gz KVRGBBLGFMLRSB-VXGBXAGGSA-N 1 3 213.369 0.916 20 0 BCADHO CCN(CC)CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422744803 387693708 /nfs/dbraw/zinc/69/37/08/387693708.db2.gz KVRGBBLGFMLRSB-RYUDHWBXSA-N 1 3 213.369 0.916 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377810642 387748593 /nfs/dbraw/zinc/74/85/93/387748593.db2.gz CPXXBLVDOCFUPG-DCAQKATOSA-N 1 3 225.336 0.038 20 0 BCADHO CCN(CC[NH2+][C@@H]1CCC[C@@H]1N)C1CC1 ZINC000422875911 387753431 /nfs/dbraw/zinc/75/34/31/387753431.db2.gz DKYISKXJWZSAJT-NWDGAFQWSA-N 1 3 211.353 0.940 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000127354430 387713110 /nfs/dbraw/zinc/71/31/10/387713110.db2.gz WLHYWHWVEBRPEG-NWDGAFQWSA-N 1 3 230.352 0.267 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC000127354430 387713115 /nfs/dbraw/zinc/71/31/15/387713115.db2.gz WLHYWHWVEBRPEG-NWDGAFQWSA-N 1 3 230.352 0.267 20 0 BCADHO CC(=O)NCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000377390499 387714030 /nfs/dbraw/zinc/71/40/30/387714030.db2.gz JVSMREPSQNGFOH-ZDUSSCGKSA-N 1 3 241.379 0.929 20 0 BCADHO CC(=O)NCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000377390499 387714036 /nfs/dbraw/zinc/71/40/36/387714036.db2.gz JVSMREPSQNGFOH-ZDUSSCGKSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCn1cccn1 ZINC000422815712 387715208 /nfs/dbraw/zinc/71/52/08/387715208.db2.gz YDJLBKTUAMATON-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000629614214 387716612 /nfs/dbraw/zinc/71/66/12/387716612.db2.gz IDLOYQMCPHTULZ-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000356784140 387718878 /nfs/dbraw/zinc/71/88/78/387718878.db2.gz MCFOXHRQKNMGNC-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000422843122 387731620 /nfs/dbraw/zinc/73/16/20/387731620.db2.gz HCNMOAPVLULSNA-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C12CCCN1CCC2 ZINC000422847679 387735261 /nfs/dbraw/zinc/73/52/61/387735261.db2.gz IRXVWVSFNJRQMD-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CNCC[C@H]2C)C1 ZINC000422890339 387763835 /nfs/dbraw/zinc/76/38/35/387763835.db2.gz RSRNZORJSDVXEV-FRRDWIJNSA-N 1 3 241.379 0.295 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129284113 387765719 /nfs/dbraw/zinc/76/57/19/387765719.db2.gz YTBJIQMEKJBCIB-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129284113 387765724 /nfs/dbraw/zinc/76/57/24/387765724.db2.gz YTBJIQMEKJBCIB-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+][C@@H](C)CCN1CCOCC1 ZINC000422913159 387771432 /nfs/dbraw/zinc/77/14/32/387771432.db2.gz PCXIFBUIEQZHTO-AVGNSLFASA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000441619186 387772126 /nfs/dbraw/zinc/77/21/26/387772126.db2.gz ZLRPFXZTKNFSPB-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000441621887 387773030 /nfs/dbraw/zinc/77/30/30/387773030.db2.gz PLWFFDPDUCOWKE-JQWIXIFHSA-N 1 3 235.331 0.440 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH3+])N(CC)CC ZINC000441628514 387773044 /nfs/dbraw/zinc/77/30/44/387773044.db2.gz RCEYBPQYVINNBZ-QWRGUYRKSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000157355222 387788761 /nfs/dbraw/zinc/78/87/61/387788761.db2.gz AHLIZCMHGWHKRJ-BBBLOLIVSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000157355222 387788763 /nfs/dbraw/zinc/78/87/63/387788763.db2.gz AHLIZCMHGWHKRJ-BBBLOLIVSA-N 1 3 213.325 0.132 20 0 BCADHO COC(C)(C)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309469735 387801649 /nfs/dbraw/zinc/80/16/49/387801649.db2.gz UDMVBBZHJJUYBF-LLVKDONJSA-N 1 3 230.352 0.456 20 0 BCADHO COC(C)(C)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309469735 387801656 /nfs/dbraw/zinc/80/16/56/387801656.db2.gz UDMVBBZHJJUYBF-LLVKDONJSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@@H]1CN(C[C@H](C)[NH3+])CCN1C[C@@H](C)O ZINC000442654292 387808306 /nfs/dbraw/zinc/80/83/06/387808306.db2.gz AYDFZLNEGSLGPZ-QJPTWQEYSA-N 1 3 229.368 0.111 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442616243 387808494 /nfs/dbraw/zinc/80/84/94/387808494.db2.gz AUVFBAKZIGLTLJ-QJPTWQEYSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](CCO)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422974148 387824609 /nfs/dbraw/zinc/82/46/09/387824609.db2.gz DHSISHFMTAGSET-HBNTYKKESA-N 1 3 200.326 0.735 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000423008752 387831399 /nfs/dbraw/zinc/83/13/99/387831399.db2.gz UMZKTGMIJSGXFM-SDDRHHMPSA-N 1 3 244.404 0.962 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CN1C1CC1 ZINC000643537565 387873505 /nfs/dbraw/zinc/87/35/05/387873505.db2.gz LTQMSUYWXIRTEM-FIQHERPVSA-N 1 3 241.354 0.901 20 0 BCADHO C[C@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CN1C1CC1 ZINC000643537565 387873509 /nfs/dbraw/zinc/87/35/09/387873509.db2.gz LTQMSUYWXIRTEM-FIQHERPVSA-N 1 3 241.354 0.901 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000424160552 387838982 /nfs/dbraw/zinc/83/89/82/387838982.db2.gz XDRASCIILMKKCD-DVVUODLYSA-N 1 3 246.314 0.183 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424160763 387839647 /nfs/dbraw/zinc/83/96/47/387839647.db2.gz UPAJEBBNTMWIGX-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[C@H](O)C1 ZINC000423074322 387873669 /nfs/dbraw/zinc/87/36/69/387873669.db2.gz UNQJKNAKTOZMGL-WYUUTHIRSA-N 1 3 212.337 0.735 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCC(C)CC1 ZINC000424163095 387847018 /nfs/dbraw/zinc/84/70/18/387847018.db2.gz XIZYNBDGCQKHGR-UTUOFQBUSA-N 1 3 239.363 0.570 20 0 BCADHO COC[C@@H](C[NH2+][C@@H](C)[C@H]1CCCCN1)OC ZINC000423038471 387853573 /nfs/dbraw/zinc/85/35/73/387853573.db2.gz CWQZUZILKJPMAU-QJPTWQEYSA-N 1 3 230.352 0.768 20 0 BCADHO CSCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193653577 387858753 /nfs/dbraw/zinc/85/87/53/387858753.db2.gz LIKBAHBAIWXJRV-AOOOYVTPSA-N 1 3 200.351 0.843 20 0 BCADHO CSCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193653577 387858755 /nfs/dbraw/zinc/85/87/55/387858755.db2.gz LIKBAHBAIWXJRV-AOOOYVTPSA-N 1 3 200.351 0.843 20 0 BCADHO CC[C@@H](CO)[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423058338 387864797 /nfs/dbraw/zinc/86/47/97/387864797.db2.gz JKQNAEWUIIHKES-GARJFASQSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](CO)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423058338 387864800 /nfs/dbraw/zinc/86/48/00/387864800.db2.gz JKQNAEWUIIHKES-GARJFASQSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@H]([NH3+])CN1CCC(CN2CCOCC2)CC1 ZINC000442663117 387817782 /nfs/dbraw/zinc/81/77/82/387817782.db2.gz ITQQFTVZIFIBIB-LBPRGKRZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]([NH3+])CN1CCC(CN2CCOCC2)CC1 ZINC000442663115 387817951 /nfs/dbraw/zinc/81/79/51/387817951.db2.gz ITQQFTVZIFIBIB-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO CC(C)[C@H](CO)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423113619 387896166 /nfs/dbraw/zinc/89/61/66/387896166.db2.gz URDDIACRLQAHNO-GARJFASQSA-N 1 3 200.326 0.720 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537239 387875043 /nfs/dbraw/zinc/87/50/43/387875043.db2.gz BOHUJULCLFQLRP-ZPFDUUQYSA-N 1 3 241.354 0.759 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CC[C@@H](O)C1 ZINC000423074319 387875239 /nfs/dbraw/zinc/87/52/39/387875239.db2.gz UNQJKNAKTOZMGL-KKOKHZNYSA-N 1 3 212.337 0.735 20 0 BCADHO C[C@H](NC[C@@H]1C[C@H](F)CN1)[C@H]1CCCC[NH2+]1 ZINC000643538249 387877371 /nfs/dbraw/zinc/87/73/71/387877371.db2.gz CIKDSYBYQAVNON-FIQHERPVSA-N 1 3 229.343 0.807 20 0 BCADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538660 387877575 /nfs/dbraw/zinc/87/75/75/387877575.db2.gz QYBPMWUVBVQBAT-YFKTTZPYSA-N 1 3 229.343 0.936 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCC(F)F ZINC000236216842 387879753 /nfs/dbraw/zinc/87/97/53/387879753.db2.gz VPVUMRCDPGSVQE-DTWKUNHWSA-N 1 3 222.279 0.985 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000236216842 387879756 /nfs/dbraw/zinc/87/97/56/387879756.db2.gz VPVUMRCDPGSVQE-DTWKUNHWSA-N 1 3 222.279 0.985 20 0 BCADHO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000423086140 387880773 /nfs/dbraw/zinc/88/07/73/387880773.db2.gz LJYUMCJDKAOAAI-CQLXCSJHSA-N 1 3 242.363 0.633 20 0 BCADHO CCOC1CC(O)(C[NH2+][C@H]2CCC[C@H]2CN)C1 ZINC000423086143 387880801 /nfs/dbraw/zinc/88/08/01/387880801.db2.gz LJYUMCJDKAOAAI-QCXCNERSSA-N 1 3 242.363 0.633 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236648322 387900342 /nfs/dbraw/zinc/90/03/42/387900342.db2.gz HTDLMFBHSQZXGD-MNOVXSKESA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236648322 387900345 /nfs/dbraw/zinc/90/03/45/387900345.db2.gz HTDLMFBHSQZXGD-MNOVXSKESA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236648322 387900347 /nfs/dbraw/zinc/90/03/47/387900347.db2.gz HTDLMFBHSQZXGD-MNOVXSKESA-N 1 3 227.352 0.535 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131532 387908855 /nfs/dbraw/zinc/90/88/55/387908855.db2.gz OBONBMMTLOZYBT-QNWHQSFQSA-N 1 3 242.363 0.633 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195231381 387911977 /nfs/dbraw/zinc/91/19/77/387911977.db2.gz WKLVPPFEEACCCR-AXFHLTTASA-N 1 3 225.336 0.038 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147595 387924683 /nfs/dbraw/zinc/92/46/83/387924683.db2.gz DAVDOMCELHXEIT-ZDEQEGDKSA-N 1 3 241.379 0.565 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCC1(CO)CC1 ZINC000423161124 387944009 /nfs/dbraw/zinc/94/40/09/387944009.db2.gz NJBQEDXICIGUPO-GHMZBOCLSA-N 1 3 212.337 0.737 20 0 BCADHO CC(C)[C@H](CO)CN[C@H]1C[NH2+]CC[C@H]1C ZINC000423107963 387945055 /nfs/dbraw/zinc/94/50/55/387945055.db2.gz LTVFHOBPWRFGCA-WOPDTQHZSA-N 1 3 214.353 0.839 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[C@H]1O ZINC000423163613 387945837 /nfs/dbraw/zinc/94/58/37/387945837.db2.gz MZQQMJLIHAPEBA-NOOOWODRSA-N 1 3 212.337 0.735 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCC(C)(C)CO ZINC000423165125 387948753 /nfs/dbraw/zinc/94/87/53/387948753.db2.gz XWXNQZZKXSKQFI-QWRGUYRKSA-N 1 3 214.353 0.983 20 0 BCADHO Cn1cc(CCN[C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424301552 387962729 /nfs/dbraw/zinc/96/27/29/387962729.db2.gz XPJAWASVCJGEOK-VXGBXAGGSA-N 1 3 222.336 0.822 20 0 BCADHO CCN1C[C@@H](C)[C@H](NC2CC[NH2+]CC2)C1 ZINC000423185898 387970174 /nfs/dbraw/zinc/97/01/74/387970174.db2.gz NUUPLMWZJGSOAO-ZYHUDNBSSA-N 1 3 211.353 0.668 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545402 387957363 /nfs/dbraw/zinc/95/73/63/387957363.db2.gz UFJRPAWHTQKHSN-XQQFMLRXSA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545402 387957366 /nfs/dbraw/zinc/95/73/66/387957366.db2.gz UFJRPAWHTQKHSN-XQQFMLRXSA-N 1 3 244.379 0.656 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)CC[C@H]1CCC[N@@H+]1C ZINC000245695533 387973680 /nfs/dbraw/zinc/97/36/80/387973680.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)CC[C@H]1CCC[N@H+]1C ZINC000245695533 387973683 /nfs/dbraw/zinc/97/36/83/387973683.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)CC[C@H]1CCCN1C ZINC000245695533 387973686 /nfs/dbraw/zinc/97/36/86/387973686.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000245695533 387973691 /nfs/dbraw/zinc/97/36/91/387973691.db2.gz QTDUDCQSQJPJMQ-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000423204702 387988934 /nfs/dbraw/zinc/98/89/34/387988934.db2.gz DKIDIZYCENBQPT-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000423204702 387988937 /nfs/dbraw/zinc/98/89/37/387988937.db2.gz DKIDIZYCENBQPT-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1N ZINC000424370988 387997009 /nfs/dbraw/zinc/99/70/09/387997009.db2.gz FLPMIKUPOMHMRF-QCNOEVLYSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424376504 387998728 /nfs/dbraw/zinc/99/87/28/387998728.db2.gz PKUIKMKCCRREMK-OPRDCNLKSA-N 1 3 234.365 0.279 20 0 BCADHO C[C@H]([NH3+])CCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423222218 388002604 /nfs/dbraw/zinc/00/26/04/388002604.db2.gz AGGZSVGZUHACJC-AXFHLTTASA-N 1 3 211.353 0.939 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446262304 388010080 /nfs/dbraw/zinc/01/00/80/388010080.db2.gz KWNQBFIIPHERSF-VHSXEESVSA-N 1 3 231.315 0.144 20 0 BCADHO CC[C@H](Cn1cncn1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424371797 387996729 /nfs/dbraw/zinc/99/67/29/387996729.db2.gz GPXPLPVOXKYQPD-IJLUTSLNSA-N 1 3 237.351 0.916 20 0 BCADHO CC1(C)C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000082475443 388035713 /nfs/dbraw/zinc/03/57/13/388035713.db2.gz RLAIVXCGNKAMGY-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO Cn1nncc1CNCC1CC[NH+](C2CC2)CC1 ZINC000446884760 388044430 /nfs/dbraw/zinc/04/44/30/388044430.db2.gz RECFXECAVIRGJP-UHFFFAOYSA-N 1 3 249.362 0.779 20 0 BCADHO NC1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000083834688 388064056 /nfs/dbraw/zinc/06/40/56/388064056.db2.gz ZJVRBCNEHVFSTB-SECBINFHSA-N 1 3 223.320 0.078 20 0 BCADHO NC1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000083834688 388064060 /nfs/dbraw/zinc/06/40/60/388064060.db2.gz ZJVRBCNEHVFSTB-SECBINFHSA-N 1 3 223.320 0.078 20 0 BCADHO CNCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907649 388064707 /nfs/dbraw/zinc/06/47/07/388064707.db2.gz WPHWLNWGUIJOEL-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)N)CC1 ZINC000083889459 388065657 /nfs/dbraw/zinc/06/56/57/388065657.db2.gz PFQDAVZBYXCPCT-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H](C)C[NH3+] ZINC000423293840 388076112 /nfs/dbraw/zinc/07/61/12/388076112.db2.gz AVWZBVQWWSKIQY-QWRGUYRKSA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)CN ZINC000423293840 388076114 /nfs/dbraw/zinc/07/61/14/388076114.db2.gz AVWZBVQWWSKIQY-QWRGUYRKSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)C1CCOCC1 ZINC000447602347 388081437 /nfs/dbraw/zinc/08/14/37/388081437.db2.gz UJRWDAUGPJVBOE-LBPRGKRZSA-N 1 3 244.379 0.969 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)[C@@H]1CCCOC1 ZINC000447598157 388081918 /nfs/dbraw/zinc/08/19/18/388081918.db2.gz UOKLKBSLBKFDRW-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447914267 388102704 /nfs/dbraw/zinc/10/27/04/388102704.db2.gz OSFHEUMKXGXGKL-FRRDWIJNSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N ZINC000086932264 388111188 /nfs/dbraw/zinc/11/11/88/388111188.db2.gz NFMISMLWBUSGDI-VHSXEESVSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N ZINC000086932264 388111189 /nfs/dbraw/zinc/11/11/89/388111189.db2.gz NFMISMLWBUSGDI-VHSXEESVSA-N 1 3 225.336 0.419 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](C)NC1CC1 ZINC000449371859 388184885 /nfs/dbraw/zinc/18/48/85/388184885.db2.gz ZKEIWSRRAKPEEX-SECBINFHSA-N 1 3 213.325 0.243 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070706 388137104 /nfs/dbraw/zinc/13/71/04/388137104.db2.gz KTBMNYFTNPNLAK-GHMZBOCLSA-N 1 3 241.379 0.912 20 0 BCADHO COC(=O)COC[C@H](C)NCCC[NH+](C)C ZINC000449060876 388137215 /nfs/dbraw/zinc/13/72/15/388137215.db2.gz DZYVJJXZOJDHKH-JTQLQIEISA-N 1 3 232.324 0.106 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000449105801 388143058 /nfs/dbraw/zinc/14/30/58/388143058.db2.gz IWKBUSAVRLLYIB-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000449105799 388143079 /nfs/dbraw/zinc/14/30/79/388143079.db2.gz IWKBUSAVRLLYIB-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449119333 388145368 /nfs/dbraw/zinc/14/53/68/388145368.db2.gz YDJRYGGQAAAVLX-KOLCDFICSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449125745 388146355 /nfs/dbraw/zinc/14/63/55/388146355.db2.gz TZWOAVUBLKBWIM-BXKDBHETSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000449142492 388147956 /nfs/dbraw/zinc/14/79/56/388147956.db2.gz TUMGFSTZTSFNNP-PWSUYJOCSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000449143633 388148359 /nfs/dbraw/zinc/14/83/59/388148359.db2.gz WZQLOQDZSYWJPS-SECBINFHSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000449148487 388149302 /nfs/dbraw/zinc/14/93/02/388149302.db2.gz TWVMDNAFDHJIBU-QJPTWQEYSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000449179717 388154257 /nfs/dbraw/zinc/15/42/57/388154257.db2.gz WOGZAPKQANRIEJ-OPRDCNLKSA-N 1 3 225.336 0.336 20 0 BCADHO CCC[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000489519760 388220951 /nfs/dbraw/zinc/22/09/51/388220951.db2.gz YDIPJENQJNEMSG-SNVBAGLBSA-N 1 3 227.352 0.892 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000449546145 388228809 /nfs/dbraw/zinc/22/88/09/388228809.db2.gz UVWCZBZCNNUXKK-QFOLPQNPSA-N 1 3 239.363 0.630 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CCCC[NH3+])CCN1 ZINC000646327765 388229478 /nfs/dbraw/zinc/22/94/78/388229478.db2.gz UCWCDIQKXQTESA-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449569500 388236059 /nfs/dbraw/zinc/23/60/59/388236059.db2.gz HMBMDVQETPBJRC-WHOHXGKFSA-N 1 3 237.347 0.195 20 0 BCADHO CN(C)CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000490449945 388239473 /nfs/dbraw/zinc/23/94/73/388239473.db2.gz BBBGYKMUQIFLSM-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449599738 388239861 /nfs/dbraw/zinc/23/98/61/388239861.db2.gz HRVNKSKRYZKYNB-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449599348 388239924 /nfs/dbraw/zinc/23/99/24/388239924.db2.gz GJDFLTWLFAIZTA-YIZRAAEISA-N 1 3 201.314 0.356 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]([NH3+])CC ZINC000449605365 388240435 /nfs/dbraw/zinc/24/04/35/388240435.db2.gz ZEOJTKWURORHQU-WPRPVWTQSA-N 1 3 201.314 0.357 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])N(C)C ZINC000449605911 388240813 /nfs/dbraw/zinc/24/08/13/388240813.db2.gz XHKGTFPDGFIANV-OPRDCNLKSA-N 1 3 215.341 0.425 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000449611388 388242573 /nfs/dbraw/zinc/24/25/73/388242573.db2.gz VLTXYVVPVMNAKN-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449617980 388244164 /nfs/dbraw/zinc/24/41/64/388244164.db2.gz ALRTVBUCAUGBGF-QMMMGPOBSA-N 1 3 237.294 0.427 20 0 BCADHO CCCN(C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449621555 388244414 /nfs/dbraw/zinc/24/44/14/388244414.db2.gz HUCCGKCJVLVWHF-MRVPVSSYSA-N 1 3 237.294 0.427 20 0 BCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H]1CCOC1)C2 ZINC000629585642 388283118 /nfs/dbraw/zinc/28/31/18/388283118.db2.gz ZVABNHPZNXJVQT-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO C[NH+](C)C/C=C\C(=O)N1CCN2CCC1CC2 ZINC000492028543 388332118 /nfs/dbraw/zinc/33/21/18/388332118.db2.gz DPTJBSKUFLTHAJ-ARJAWSKDSA-N 1 3 237.347 0.411 20 0 BCADHO COC1(C[NH2+]C[C@H](C)CN(C)C)CCOCC1 ZINC000491596733 388304717 /nfs/dbraw/zinc/30/47/17/388304717.db2.gz NJUCNDFOHVVICL-LBPRGKRZSA-N 1 3 244.379 0.969 20 0 BCADHO CN(C)C/C=C\C(=O)NCCC[NH+](C)C ZINC000491875640 388325817 /nfs/dbraw/zinc/32/58/17/388325817.db2.gz ZLTQJVKWLQVABF-ALCCZGGFSA-N 1 3 213.325 0.172 20 0 BCADHO CN(C)C/C=C/C(=O)NCC(C)(C)[NH+](C)C ZINC000491893129 388326818 /nfs/dbraw/zinc/32/68/18/388326818.db2.gz NILWIARCTAWHHM-BQYQJAHWSA-N 1 3 227.352 0.561 20 0 BCADHO CCN1CCC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000491910864 388327355 /nfs/dbraw/zinc/32/73/55/388327355.db2.gz ZGMFSYQGNWFOGO-XYLWRLHESA-N 1 3 239.363 0.705 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336003 388261549 /nfs/dbraw/zinc/26/15/49/388261549.db2.gz FMCHKZOETMXOMY-GARJFASQSA-N 1 3 225.336 0.180 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336313 388262136 /nfs/dbraw/zinc/26/21/36/388262136.db2.gz NQAQQKDDOVQAEF-HBNTYKKESA-N 1 3 237.347 0.195 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953452 388269284 /nfs/dbraw/zinc/26/92/84/388269284.db2.gz UPTXHVOSRLVBEX-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953485 388269421 /nfs/dbraw/zinc/26/94/21/388269421.db2.gz VUUINCBMAJPNDP-RYUDHWBXSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953485 388269424 /nfs/dbraw/zinc/26/94/24/388269424.db2.gz VUUINCBMAJPNDP-RYUDHWBXSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C(=O)N[C@@H]2CCN(CC3CC3)C2)C[NH2+]C1 ZINC000645953380 388269526 /nfs/dbraw/zinc/26/95/26/388269526.db2.gz RKYYGHVHZXVGLC-LLVKDONJSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646373755 388347059 /nfs/dbraw/zinc/34/70/59/388347059.db2.gz ZUQGNOOTLZFFIB-SRVKXCTJSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@@H](C)N1 ZINC000131861869 388353586 /nfs/dbraw/zinc/35/35/86/388353586.db2.gz JBQFACQAFQCAER-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000646427826 388356920 /nfs/dbraw/zinc/35/69/20/388356920.db2.gz TZNFBRWVGWAPRW-MNOVXSKESA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000572713991 388369555 /nfs/dbraw/zinc/36/95/55/388369555.db2.gz RGVIHGZDIJEWJV-VIFPVBQESA-N 1 3 245.392 0.325 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000572780235 388373526 /nfs/dbraw/zinc/37/35/26/388373526.db2.gz DKHHASSGPZNYNJ-ONGXEEELSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000572760865 388374814 /nfs/dbraw/zinc/37/48/14/388374814.db2.gz GNRHGJZPPGJFDJ-KWBADKCTSA-N 1 3 247.342 0.725 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000519597489 256652132 /nfs/dbraw/zinc/65/21/32/256652132.db2.gz APRXDRUMTFPHAH-WEDXCCLWSA-N 1 3 211.309 0.075 20 0 BCADHO N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C1CCC1 ZINC000519601099 256653097 /nfs/dbraw/zinc/65/30/97/256653097.db2.gz NGWZIHYIMRLKFZ-WOPDTQHZSA-N 1 3 237.347 0.324 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000236762863 388382412 /nfs/dbraw/zinc/38/24/12/388382412.db2.gz WKNPBLWPMSTMNS-NXEZZACHSA-N 1 3 215.341 0.476 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C)C[NH3+] ZINC000236842346 388384282 /nfs/dbraw/zinc/38/42/82/388384282.db2.gz JJHLBNVKSMFUFT-SECBINFHSA-N 1 3 201.314 0.039 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000236824842 388384823 /nfs/dbraw/zinc/38/48/23/388384823.db2.gz VUCIBXMDWXQCRU-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)CCOC2CNC2)c1 ZINC000646578752 388388880 /nfs/dbraw/zinc/38/88/80/388388880.db2.gz CVIMGAUEGMIYNB-UHFFFAOYSA-N 1 3 249.314 0.462 20 0 BCADHO CO[C@@H]1CN(CCOCC[NH3+])CC[C@H]1C ZINC000261530528 135158073 /nfs/dbraw/zinc/15/80/73/135158073.db2.gz CQEFDPHIXYKQNH-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609043 388394472 /nfs/dbraw/zinc/39/44/72/388394472.db2.gz HCVZYPMYEQSWBB-JTQLQIEISA-N 1 3 225.336 0.182 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646650866 388402886 /nfs/dbraw/zinc/40/28/86/388402886.db2.gz MADWMDQELLVNQV-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000167337595 388440199 /nfs/dbraw/zinc/44/01/99/388440199.db2.gz XGCLLQDBPDVCCU-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000646732573 388440754 /nfs/dbraw/zinc/44/07/54/388440754.db2.gz STBFLVOKHJRBEK-SNVBAGLBSA-N 1 3 225.336 0.195 20 0 BCADHO C[N@H+](CCCN)C[C@@H]1CCCC[C@H]1O ZINC000336904833 388442490 /nfs/dbraw/zinc/44/24/90/388442490.db2.gz WLJOBFGDMUATQM-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCCN)C[C@@H]1CCCC[C@H]1O ZINC000336904833 388442492 /nfs/dbraw/zinc/44/24/92/388442492.db2.gz WLJOBFGDMUATQM-WDEREUQCSA-N 1 3 200.326 0.818 20 0 BCADHO N[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045262 388448192 /nfs/dbraw/zinc/44/81/92/388448192.db2.gz MXHKVNHBKUZTNN-VXGBXAGGSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045262 388448194 /nfs/dbraw/zinc/44/81/94/388448194.db2.gz MXHKVNHBKUZTNN-VXGBXAGGSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC[NH2+]C1CC1 ZINC000649270769 388480857 /nfs/dbraw/zinc/48/08/57/388480857.db2.gz SRQVUMRQHJCKAX-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO CN(C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134463239 388475969 /nfs/dbraw/zinc/47/59/69/388475969.db2.gz RMIISCDPHVVXGN-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000517139851 388540036 /nfs/dbraw/zinc/54/00/36/388540036.db2.gz KNOGCDBRFPOZQI-GARJFASQSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CC[C@H]1[NH3+] ZINC000646762920 388486419 /nfs/dbraw/zinc/48/64/19/388486419.db2.gz DSBMWTKFGSZUGQ-OPRDCNLKSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CC[C@@H]1[NH3+] ZINC000646762921 388487042 /nfs/dbraw/zinc/48/70/42/388487042.db2.gz DSBMWTKFGSZUGQ-UTLUCORTSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[NH2+]CC1(C)C ZINC000649273359 388488261 /nfs/dbraw/zinc/48/82/61/388488261.db2.gz FEMSCCQBIJCPTO-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@]1([NH2+]C[C@@H](O)CN(C)C(C)C)CCOC1 ZINC000378736174 388490294 /nfs/dbraw/zinc/49/02/94/388490294.db2.gz GGVYBIXAQMQDTM-OLZOCXBDSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000646769960 388493215 /nfs/dbraw/zinc/49/32/15/388493215.db2.gz NPZXQJNSESOAOR-GARJFASQSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](COC)C1CC1 ZINC000397968751 388513490 /nfs/dbraw/zinc/51/34/90/388513490.db2.gz SGRFIWIYLUOFDO-GXSJLCMTSA-N 1 3 200.326 0.857 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](CCCO)C1 ZINC000516876461 388522936 /nfs/dbraw/zinc/52/29/36/388522936.db2.gz YJXGYMZSRYGIOY-STQMWFEESA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](CCCO)C1 ZINC000516876461 388522937 /nfs/dbraw/zinc/52/29/37/388522937.db2.gz YJXGYMZSRYGIOY-STQMWFEESA-N 1 3 244.379 0.393 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649284797 388533608 /nfs/dbraw/zinc/53/36/08/388533608.db2.gz ZXMLCZYFSGKJKG-WQAKAFBOSA-N 1 3 249.358 0.480 20 0 BCADHO Cc1noc(CCN[C@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000358021498 388553671 /nfs/dbraw/zinc/55/36/71/388553671.db2.gz HPKRINVWULLNNM-ONGXEEELSA-N 1 3 238.335 0.850 20 0 BCADHO Cc1noc(CCN[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000358021498 388553675 /nfs/dbraw/zinc/55/36/75/388553675.db2.gz HPKRINVWULLNNM-ONGXEEELSA-N 1 3 238.335 0.850 20 0 BCADHO C[C@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@@H+]1C ZINC000183576050 388570166 /nfs/dbraw/zinc/57/01/66/388570166.db2.gz PQZYHVPJENPPFM-RVMXOQNASA-N 1 3 224.348 0.996 20 0 BCADHO C[C@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC[N@H+]1C ZINC000183576050 388570168 /nfs/dbraw/zinc/57/01/68/388570168.db2.gz PQZYHVPJENPPFM-RVMXOQNASA-N 1 3 224.348 0.996 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000521998461 388674044 /nfs/dbraw/zinc/67/40/44/388674044.db2.gz LCLPJHNWUPHCFO-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CCn1ncc(CNC2CCC(C[NH3+])CC2)n1 ZINC000530207636 388626124 /nfs/dbraw/zinc/62/61/24/388626124.db2.gz DIGOVSQTZNNZBJ-UHFFFAOYSA-N 1 3 237.351 0.905 20 0 BCADHO CCOC[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000530205210 388626294 /nfs/dbraw/zinc/62/62/94/388626294.db2.gz DQRZVRINRWVGKY-ZDUSSCGKSA-N 1 3 242.363 0.723 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1CCCCN1 ZINC000521876950 388638214 /nfs/dbraw/zinc/63/82/14/388638214.db2.gz LKEHTVMRNSYUIF-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1COCCN1 ZINC000530247401 388639741 /nfs/dbraw/zinc/63/97/41/388639741.db2.gz RTXFCRZYWAGGRK-IJLUTSLNSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1COCCN1 ZINC000530247400 388639773 /nfs/dbraw/zinc/63/97/73/388639773.db2.gz RTXFCRZYWAGGRK-GRYCIOLGSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@H](CCO)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000223039577 388646961 /nfs/dbraw/zinc/64/69/61/388646961.db2.gz FEZLVVSPIUOKEM-MXWKQRLJSA-N 1 3 200.326 0.864 20 0 BCADHO COC(=O)[C@H]1CC[N@H+](CC(C)(C)N)[C@@H]1C ZINC000261587030 135228567 /nfs/dbraw/zinc/22/85/67/135228567.db2.gz ROIRNQGLVYZCBK-BDAKNGLRSA-N 1 3 214.309 0.607 20 0 BCADHO COC(=O)[C@H]1CC[N@@H+](CC(C)(C)N)[C@@H]1C ZINC000261587030 135228568 /nfs/dbraw/zinc/22/85/68/135228568.db2.gz ROIRNQGLVYZCBK-BDAKNGLRSA-N 1 3 214.309 0.607 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251202433 388746027 /nfs/dbraw/zinc/74/60/27/388746027.db2.gz KZBUNNCWHGWCDJ-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251202433 388746029 /nfs/dbraw/zinc/74/60/29/388746029.db2.gz KZBUNNCWHGWCDJ-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000564211029 388725550 /nfs/dbraw/zinc/72/55/50/388725550.db2.gz MTWFKYWOPJQAOY-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000564211029 388725552 /nfs/dbraw/zinc/72/55/52/388725552.db2.gz MTWFKYWOPJQAOY-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](C(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000540517404 388807264 /nfs/dbraw/zinc/80/72/64/388807264.db2.gz LVJMEZRZGNHAGX-NSHDSACASA-N 1 3 229.368 0.737 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000068195924 388766196 /nfs/dbraw/zinc/76/61/96/388766196.db2.gz XZBSWCNZJLWMAF-NSHDSACASA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000068195924 388766200 /nfs/dbraw/zinc/76/62/00/388766200.db2.gz XZBSWCNZJLWMAF-NSHDSACASA-N 1 3 241.379 0.926 20 0 BCADHO CCN(C)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000553816425 388790717 /nfs/dbraw/zinc/79/07/17/388790717.db2.gz QTOSELGVOVMCNA-UHFFFAOYSA-N 1 3 244.383 0.483 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC[N@@H+]1C ZINC000648771139 388861289 /nfs/dbraw/zinc/86/12/89/388861289.db2.gz FLYLPTJDHCHGSX-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC[N@H+]1C ZINC000648771139 388861293 /nfs/dbraw/zinc/86/12/93/388861293.db2.gz FLYLPTJDHCHGSX-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000564956778 388900833 /nfs/dbraw/zinc/90/08/33/388900833.db2.gz SCVXTOXHTFCQNP-MXWKQRLJSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000564955824 388901857 /nfs/dbraw/zinc/90/18/57/388901857.db2.gz ATBIWUYFPLIHKJ-JFGNBEQYSA-N 1 3 227.352 0.413 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000564569589 388878346 /nfs/dbraw/zinc/87/83/46/388878346.db2.gz FIDOZZWGOIRLOA-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000564569588 388878927 /nfs/dbraw/zinc/87/89/27/388878927.db2.gz FIDOZZWGOIRLOA-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000564996903 388906750 /nfs/dbraw/zinc/90/67/50/388906750.db2.gz ZRPNEFGEESNPFT-YUMQZZPRSA-N 1 3 249.305 0.473 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000262160934 388907685 /nfs/dbraw/zinc/90/76/85/388907685.db2.gz VBQKYYZICIBDFB-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000262160934 388907688 /nfs/dbraw/zinc/90/76/88/388907688.db2.gz VBQKYYZICIBDFB-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000565003618 388907988 /nfs/dbraw/zinc/90/79/88/388907988.db2.gz LAGKJCJKYFVSGU-GMXVVIOVSA-N 1 3 249.358 0.798 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000565302520 388935927 /nfs/dbraw/zinc/93/59/27/388935927.db2.gz KCWZGNAZNGLOBD-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCCC[NH2+]CC ZINC000565033290 388909961 /nfs/dbraw/zinc/90/99/61/388909961.db2.gz ACDZTPCLXRIDEG-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)CNC2CC2)C1 ZINC000565039841 388910091 /nfs/dbraw/zinc/91/00/91/388910091.db2.gz FDQBKAWTDMCALM-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)CNC2CC2)C1 ZINC000565039841 388910094 /nfs/dbraw/zinc/91/00/94/388910094.db2.gz FDQBKAWTDMCALM-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000163126399 388922874 /nfs/dbraw/zinc/92/28/74/388922874.db2.gz LFUYLIJVKBITGJ-MNOVXSKESA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000163126399 388922876 /nfs/dbraw/zinc/92/28/76/388922876.db2.gz LFUYLIJVKBITGJ-MNOVXSKESA-N 1 3 227.352 0.761 20 0 BCADHO CC[C@H](C)C[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565233681 388924697 /nfs/dbraw/zinc/92/46/97/388924697.db2.gz OJNHYPCGUDIDPF-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565233681 388924695 /nfs/dbraw/zinc/92/46/95/388924695.db2.gz OJNHYPCGUDIDPF-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000565302521 388934693 /nfs/dbraw/zinc/93/46/93/388934693.db2.gz KCWZGNAZNGLOBD-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO CC[C@H]1CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000565308787 388935359 /nfs/dbraw/zinc/93/53/59/388935359.db2.gz DPHIMRIEVPMNTD-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000565308787 388935366 /nfs/dbraw/zinc/93/53/66/388935366.db2.gz DPHIMRIEVPMNTD-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@H]1CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000565308787 388935362 /nfs/dbraw/zinc/93/53/62/388935362.db2.gz DPHIMRIEVPMNTD-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO COC[C@H](O)CNCC1(C[NH+](C)C)CCCC1 ZINC000565654100 388960262 /nfs/dbraw/zinc/96/02/62/388960262.db2.gz OJLDSZLVEQAERL-GFCCVEGCSA-N 1 3 244.379 0.705 20 0 BCADHO CN[C@@H](C)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000565312841 388937818 /nfs/dbraw/zinc/93/78/18/388937818.db2.gz CURBPBYIIFOOIX-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000565421351 388942982 /nfs/dbraw/zinc/94/29/82/388942982.db2.gz WNBQSMZQINMSTN-PWSUYJOCSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCN1CCO[C@H](C)C1 ZINC000566069133 388986057 /nfs/dbraw/zinc/98/60/57/388986057.db2.gz WRIUHTPNRSHROP-JHJVBQTASA-N 1 3 241.379 0.376 20 0 BCADHO CN1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2N)CC1=O ZINC000566091316 388987403 /nfs/dbraw/zinc/98/74/03/388987403.db2.gz XFFYOTIXNJLCIJ-GMTAPVOTSA-N 1 3 225.336 0.467 20 0 BCADHO COC[C@H](O)CNC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000566111690 388987715 /nfs/dbraw/zinc/98/77/15/388987715.db2.gz FGJDAOLIDUMIAY-QWHCGFSZSA-N 1 3 244.379 0.561 20 0 BCADHO COC[C@H](O)CNC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000566111690 388987717 /nfs/dbraw/zinc/98/77/17/388987717.db2.gz FGJDAOLIDUMIAY-QWHCGFSZSA-N 1 3 244.379 0.561 20 0 BCADHO COC[C@H](O)CNC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000566111687 388988119 /nfs/dbraw/zinc/98/81/19/388988119.db2.gz FGJDAOLIDUMIAY-CHWSQXEVSA-N 1 3 244.379 0.561 20 0 BCADHO COC[C@H](O)CNC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000566111687 388988115 /nfs/dbraw/zinc/98/81/15/388988115.db2.gz FGJDAOLIDUMIAY-CHWSQXEVSA-N 1 3 244.379 0.561 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000335345023 136065867 /nfs/dbraw/zinc/06/58/67/136065867.db2.gz FXLUMYKYBCKADF-DTWKUNHWSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000494654083 533536703 /nfs/dbraw/zinc/53/67/03/533536703.db2.gz MPEMFELXFQQALF-QWRGUYRKSA-N 1 3 227.352 0.762 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NCCCC[NH3+] ZINC000040832441 322834288 /nfs/dbraw/zinc/83/42/88/322834288.db2.gz LSQFXKRYXUAOKN-GFCCVEGCSA-N 1 3 235.331 0.412 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)CNC1CC1 ZINC000041680168 322836207 /nfs/dbraw/zinc/83/62/07/322836207.db2.gz KDBCKZJKMVNOIE-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361761814 132280310 /nfs/dbraw/zinc/28/03/10/132280310.db2.gz FAIQCKADASIABZ-SECBINFHSA-N 1 3 233.315 0.772 20 0 BCADHO OCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000034978941 132337383 /nfs/dbraw/zinc/33/73/83/132337383.db2.gz UJGBRHWZNNXNNJ-UHFFFAOYSA-N 1 3 221.304 0.632 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000335426863 133843086 /nfs/dbraw/zinc/84/30/86/133843086.db2.gz CTWSABBVTMNCDH-MFKMUULPSA-N 1 3 247.342 0.808 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335963673 134027868 /nfs/dbraw/zinc/02/78/68/134027868.db2.gz VFMWCSVIZIGRMZ-WDEREUQCSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@]1(CNC(=O)C2(N)CCC2)CCC[NH2+]C1 ZINC000336213776 134135877 /nfs/dbraw/zinc/13/58/77/134135877.db2.gz DOILYZZHDWFJRL-NSHDSACASA-N 1 3 225.336 0.374 20 0 BCADHO C[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H](C)N1 ZINC000336214410 134136157 /nfs/dbraw/zinc/13/61/57/134136157.db2.gz NUVPZMLHWLSMDV-DTORHVGOSA-N 1 3 211.309 0.077 20 0 BCADHO COC(=O)CCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000168557997 134226584 /nfs/dbraw/zinc/22/65/84/134226584.db2.gz PHDPTLVYRZWAPU-UWVGGRQHSA-N 1 3 214.309 0.609 20 0 BCADHO C[C@H](NCCOCC[NH+](C)C)c1cnn(C)c1 ZINC000219316227 134281305 /nfs/dbraw/zinc/28/13/05/134281305.db2.gz BWXZLZUMZLYYMO-NSHDSACASA-N 1 3 240.351 0.649 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCOC1 ZINC000219316991 134281643 /nfs/dbraw/zinc/28/16/43/134281643.db2.gz HOSRBAFHSCJIJY-NEPJUHHUSA-N 1 3 230.352 0.579 20 0 BCADHO CCN(CCNC(=O)[C@@H](C)C1C[NH2+]C1)C1CC1 ZINC000219907641 134297190 /nfs/dbraw/zinc/29/71/90/134297190.db2.gz YSTDIDGRFXOWKG-JTQLQIEISA-N 1 3 239.363 0.442 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178722414 134310693 /nfs/dbraw/zinc/31/06/93/134310693.db2.gz LQHMADYABUFWBH-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CN)[C@H](C)C1 ZINC000178814148 134315672 /nfs/dbraw/zinc/31/56/72/134315672.db2.gz LDJYNLHXHYCWKM-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CN)[C@H](C)C1 ZINC000178814148 134315673 /nfs/dbraw/zinc/31/56/73/134315673.db2.gz LDJYNLHXHYCWKM-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)C(C)C ZINC000178836146 134315900 /nfs/dbraw/zinc/31/59/00/134315900.db2.gz BFSFJXYBRDPNOU-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)C(C)C ZINC000178836146 134315901 /nfs/dbraw/zinc/31/59/01/134315901.db2.gz BFSFJXYBRDPNOU-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000178870881 134316233 /nfs/dbraw/zinc/31/62/33/134316233.db2.gz SBLMRGFNYCCZSL-JOYOIKCWSA-N 1 3 243.326 0.274 20 0 BCADHO NC1(C(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCCC1 ZINC000185204402 134375146 /nfs/dbraw/zinc/37/51/46/134375146.db2.gz WQJQLLRUZYXTMN-GMTAPVOTSA-N 1 3 237.347 0.454 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000227130961 134376530 /nfs/dbraw/zinc/37/65/30/134376530.db2.gz MWDXAOQTVWLLLE-IRCOFANPSA-N 1 3 230.352 0.312 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000227130961 134376531 /nfs/dbraw/zinc/37/65/31/134376531.db2.gz MWDXAOQTVWLLLE-IRCOFANPSA-N 1 3 230.352 0.312 20 0 BCADHO CO[C@H](CN)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000227351773 134378407 /nfs/dbraw/zinc/37/84/07/134378407.db2.gz AMYJLALQRYKJDY-GHMZBOCLSA-N 1 3 245.367 0.053 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000227881368 134394007 /nfs/dbraw/zinc/39/40/07/134394007.db2.gz FWOAMLOFZJKVCD-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000155234896 134687939 /nfs/dbraw/zinc/68/79/39/134687939.db2.gz XGCGMFLQBMKCAB-AEJSXWLSSA-N 1 3 213.325 0.310 20 0 BCADHO C[N@H+](CCNC(=O)C1(N)CC1)C1CCCCC1 ZINC000237141002 134845360 /nfs/dbraw/zinc/84/53/60/134845360.db2.gz PWQWJPHADPJESU-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[N@@H+](CCNC(=O)C1(N)CC1)C1CCCCC1 ZINC000237141002 134845362 /nfs/dbraw/zinc/84/53/62/134845362.db2.gz PWQWJPHADPJESU-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1CSCCN1CCOCC[NH3+] ZINC000086435815 135083996 /nfs/dbraw/zinc/08/39/96/135083996.db2.gz XZKUYFJJRZHDJO-VIFPVBQESA-N 1 3 204.339 0.399 20 0 BCADHO CN(CCOCC[NH3+])C[C@@H]1CCCCO1 ZINC000086435487 135084188 /nfs/dbraw/zinc/08/41/88/135084188.db2.gz XPIIXIOMMGYDFF-NSHDSACASA-N 1 3 216.325 0.463 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000252464841 135090900 /nfs/dbraw/zinc/09/09/00/135090900.db2.gz MWDXAOQTVWLLLE-NNYUYHANSA-N 1 3 230.352 0.312 20 0 BCADHO COC[C@H](O)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000252464841 135090901 /nfs/dbraw/zinc/09/09/01/135090901.db2.gz MWDXAOQTVWLLLE-NNYUYHANSA-N 1 3 230.352 0.312 20 0 BCADHO C[S@](=O)CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252703339 135097839 /nfs/dbraw/zinc/09/78/39/135097839.db2.gz WQBGQSDNBSSOLL-WQGACYEGSA-N 1 3 244.404 0.971 20 0 BCADHO C[S@](=O)CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252703339 135097841 /nfs/dbraw/zinc/09/78/41/135097841.db2.gz WQBGQSDNBSSOLL-WQGACYEGSA-N 1 3 244.404 0.971 20 0 BCADHO C[S@](=O)CCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000252703339 135097842 /nfs/dbraw/zinc/09/78/42/135097842.db2.gz WQBGQSDNBSSOLL-WQGACYEGSA-N 1 3 244.404 0.971 20 0 BCADHO CN1CCC(C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000257709704 135101029 /nfs/dbraw/zinc/10/10/29/135101029.db2.gz QKIWOISDTKVDIK-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CN(C)CCO1 ZINC000252730511 135103434 /nfs/dbraw/zinc/10/34/34/135103434.db2.gz LRKZTIXDQOWGIK-FRRDWIJNSA-N 1 3 241.379 0.247 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CN(C)CCO1 ZINC000252730511 135103435 /nfs/dbraw/zinc/10/34/35/135103435.db2.gz LRKZTIXDQOWGIK-FRRDWIJNSA-N 1 3 241.379 0.247 20 0 BCADHO CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000253019887 135119297 /nfs/dbraw/zinc/11/92/97/135119297.db2.gz JLSNINDNEPTXLR-DCAQKATOSA-N 1 3 200.326 0.864 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1 ZINC000087471656 135141347 /nfs/dbraw/zinc/14/13/47/135141347.db2.gz QOXXONKORJRHDJ-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CN(C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261529427 135155812 /nfs/dbraw/zinc/15/58/12/135155812.db2.gz ASCZPGPEADFTRH-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[N@H+](C[C@@H]1CCC[C@@H]1O)CC(C)(C)N ZINC000261531122 135159597 /nfs/dbraw/zinc/15/95/97/135159597.db2.gz FHBMDILLCFKVCD-UWVGGRQHSA-N 1 3 200.326 0.817 20 0 BCADHO C[N@@H+](C[C@@H]1CCC[C@@H]1O)CC(C)(C)N ZINC000261531122 135159599 /nfs/dbraw/zinc/15/95/99/135159599.db2.gz FHBMDILLCFKVCD-UWVGGRQHSA-N 1 3 200.326 0.817 20 0 BCADHO COC(=O)[C@@H](C)CN(C)C[C@H]1CCC[NH2+]C1 ZINC000261532459 135162781 /nfs/dbraw/zinc/16/27/81/135162781.db2.gz BWVILGDTDLKLMI-QWRGUYRKSA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCCNC1 ZINC000261532459 135162782 /nfs/dbraw/zinc/16/27/82/135162782.db2.gz BWVILGDTDLKLMI-QWRGUYRKSA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCCNC1 ZINC000261532459 135162784 /nfs/dbraw/zinc/16/27/84/135162784.db2.gz BWVILGDTDLKLMI-QWRGUYRKSA-N 1 3 228.336 0.727 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)C(C)(C)N ZINC000261534342 135166867 /nfs/dbraw/zinc/16/68/67/135166867.db2.gz MBHBZWWMNBEZSN-UHFFFAOYSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@H](O)C[C@@H]1CCCN1CC(C)(C)[NH3+] ZINC000261538574 135176660 /nfs/dbraw/zinc/17/66/60/135176660.db2.gz YPZASNNSXXQWSF-UWVGGRQHSA-N 1 3 200.326 0.959 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261539072 135177220 /nfs/dbraw/zinc/17/72/20/135177220.db2.gz BMFLYMBNADSPFX-AATLWQCWSA-N 1 3 213.325 0.179 20 0 BCADHO CC[C@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000261543103 135183724 /nfs/dbraw/zinc/18/37/24/135183724.db2.gz HKYJNQMILAJGFH-ONGXEEELSA-N 1 3 215.341 0.603 20 0 BCADHO C[N@H+](CCOCC(F)F)C1CCNCC1 ZINC000261543993 135185645 /nfs/dbraw/zinc/18/56/45/135185645.db2.gz IKKHFYHCMMYXCR-UHFFFAOYSA-N 1 3 222.279 0.952 20 0 BCADHO C[N@@H+](CCOCC(F)F)C1CCNCC1 ZINC000261543993 135185646 /nfs/dbraw/zinc/18/56/46/135185646.db2.gz IKKHFYHCMMYXCR-UHFFFAOYSA-N 1 3 222.279 0.952 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000261550416 135188934 /nfs/dbraw/zinc/18/89/34/135188934.db2.gz PKRRFVQVBMIXLM-ONGXEEELSA-N 1 3 213.325 0.372 20 0 BCADHO CCNC(=O)[C@H](C)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000084216106 135192164 /nfs/dbraw/zinc/19/21/64/135192164.db2.gz HNTZFDZMTXUWRW-AXFHLTTASA-N 1 3 227.352 0.618 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000084216430 135192481 /nfs/dbraw/zinc/19/24/81/135192481.db2.gz ZJYCTXMWQYJMGY-NWDGAFQWSA-N 1 3 222.336 0.990 20 0 BCADHO C[C@H](O)[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261560375 135200939 /nfs/dbraw/zinc/20/09/39/135200939.db2.gz ZULZKWFFQGOQOA-SRVKXCTJSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@](C[NH3+])(NCCOCC(F)F)C1CC1 ZINC000261564219 135206035 /nfs/dbraw/zinc/20/60/35/135206035.db2.gz CKERSVPTXHLCRA-SNVBAGLBSA-N 1 3 222.279 0.985 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000261570065 135211870 /nfs/dbraw/zinc/21/18/70/135211870.db2.gz GOELIICOPAXDHI-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000261570065 135211872 /nfs/dbraw/zinc/21/18/72/135211872.db2.gz GOELIICOPAXDHI-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)C1C[NH2+]C1 ZINC000164227858 135217287 /nfs/dbraw/zinc/21/72/87/135217287.db2.gz QAKWGDWYLJOSCB-ZYHUDNBSSA-N 1 3 237.347 0.149 20 0 BCADHO COC(=O)[C@H]1CC[N@H+](CC(C)(C)N)[C@H]1C ZINC000261587032 135228397 /nfs/dbraw/zinc/22/83/97/135228397.db2.gz ROIRNQGLVYZCBK-IUCAKERBSA-N 1 3 214.309 0.607 20 0 BCADHO COC(=O)[C@H]1CC[N@@H+](CC(C)(C)N)[C@H]1C ZINC000261587032 135228399 /nfs/dbraw/zinc/22/83/99/135228399.db2.gz ROIRNQGLVYZCBK-IUCAKERBSA-N 1 3 214.309 0.607 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261591121 135231850 /nfs/dbraw/zinc/23/18/50/135231850.db2.gz VBQALCPADZHATO-SFGNSQDASA-N 1 3 213.325 0.213 20 0 BCADHO CCCN(C)CC(=O)NCC1([NH3+])CCC1 ZINC000261593105 135233471 /nfs/dbraw/zinc/23/34/71/135233471.db2.gz WNGKRXURKQRUQN-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C(C1CCC1)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000261594283 135234422 /nfs/dbraw/zinc/23/44/22/135234422.db2.gz XKYULKBNKMTQNW-CYBMUJFWSA-N 1 3 223.364 0.766 20 0 BCADHO C(C1CCC1)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000261594283 135234423 /nfs/dbraw/zinc/23/44/23/135234423.db2.gz XKYULKBNKMTQNW-CYBMUJFWSA-N 1 3 223.364 0.766 20 0 BCADHO C[NH2+]CC1CCN(CCn2cncn2)CC1 ZINC000261597426 135236695 /nfs/dbraw/zinc/23/66/95/135236695.db2.gz ZBHBIGRIEHGCSU-UHFFFAOYSA-N 1 3 223.324 0.210 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000261547562 135240308 /nfs/dbraw/zinc/24/03/08/135240308.db2.gz MLXCNHDGTGHAPQ-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO CCN(CC1CC[NH2+]CC1)[C@H]1CCNC1=O ZINC000261729081 135248202 /nfs/dbraw/zinc/24/82/02/135248202.db2.gz KCTNTJCKSALJKJ-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@]1(CN2CC[C@@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772833 135251308 /nfs/dbraw/zinc/25/13/08/135251308.db2.gz MWNFWAOEOSJXDL-VXGBXAGGSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000261830893 135255988 /nfs/dbraw/zinc/25/59/88/135255988.db2.gz NDMSVVJZWIYGER-HBNTYKKESA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H](C(=O)NCC1C[NH2+]C1)N1CCCCCC1 ZINC000261883696 135259872 /nfs/dbraw/zinc/25/98/72/135259872.db2.gz ATLKRLXOWCZPKQ-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1NCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1C ZINC000261890816 135260876 /nfs/dbraw/zinc/26/08/76/135260876.db2.gz VDNATQLNZIQSBR-NOOOWODRSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN(C)Cc1ccccc1 ZINC000261926130 135263503 /nfs/dbraw/zinc/26/35/03/135263503.db2.gz YGJFETHYWIAECK-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000261958791 135266491 /nfs/dbraw/zinc/26/64/91/135266491.db2.gz MFZBVDHPIVWYML-TUAOUCFPSA-N 1 3 241.379 0.768 20 0 BCADHO C[C@@H]1C[N@H+](C[C@@H]2CCCNC2)C[C@H]1CO ZINC000262022169 135273761 /nfs/dbraw/zinc/27/37/61/135273761.db2.gz WHOCTODCQMKYLJ-UTUOFQBUSA-N 1 3 212.337 0.546 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCNC2)C[C@H]1CO ZINC000262022169 135273763 /nfs/dbraw/zinc/27/37/63/135273763.db2.gz WHOCTODCQMKYLJ-UTUOFQBUSA-N 1 3 212.337 0.546 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000262119697 135279657 /nfs/dbraw/zinc/27/96/57/135279657.db2.gz JGAPEMVVGGWZNH-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000262119697 135279659 /nfs/dbraw/zinc/27/96/59/135279659.db2.gz JGAPEMVVGGWZNH-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000262119695 135279840 /nfs/dbraw/zinc/27/98/40/135279840.db2.gz JGAPEMVVGGWZNH-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000262119695 135279841 /nfs/dbraw/zinc/27/98/41/135279841.db2.gz JGAPEMVVGGWZNH-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)C ZINC000262187227 135284560 /nfs/dbraw/zinc/28/45/60/135284560.db2.gz ZKERIBJVXGVVPZ-AAEUAGOBSA-N 1 3 241.379 0.770 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCCC[C@@H]1C ZINC000262314291 135291973 /nfs/dbraw/zinc/29/19/73/135291973.db2.gz DEDYXMKZSQMKHG-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]CCC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000262332796 135293744 /nfs/dbraw/zinc/29/37/44/135293744.db2.gz GWAWCYBVEZWQCC-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CCN(CC)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342619119 135295831 /nfs/dbraw/zinc/29/58/31/135295831.db2.gz MRIDPNDJVZHUGN-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262428013 135296210 /nfs/dbraw/zinc/29/62/10/135296210.db2.gz IKKKBHXJSLOECM-WOPDTQHZSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000262425479 135296342 /nfs/dbraw/zinc/29/63/42/135296342.db2.gz SFGJHJPUQLUNEX-MFKMUULPSA-N 1 3 247.342 0.584 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262428007 135296368 /nfs/dbraw/zinc/29/63/68/135296368.db2.gz IKKKBHXJSLOECM-GRYCIOLGSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)NCCN(C)C)CC[N@@H+]1C ZINC000342637654 135299086 /nfs/dbraw/zinc/29/90/86/135299086.db2.gz BQOJZUOKZTZBHW-GHMZBOCLSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)NCCN(C)C)CC[N@H+]1C ZINC000342637654 135299087 /nfs/dbraw/zinc/29/90/87/135299087.db2.gz BQOJZUOKZTZBHW-GHMZBOCLSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)C[NH3+])N1CCC(C)CC1 ZINC000262450240 135300690 /nfs/dbraw/zinc/30/06/90/135300690.db2.gz VUWOFWMCVLHIBO-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000262527344 135304231 /nfs/dbraw/zinc/30/42/31/135304231.db2.gz BDYSXLYGIBSWDA-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](C(=O)N[C@@H](C)C[NH3+])N1CCCCCC1 ZINC000262533772 135304575 /nfs/dbraw/zinc/30/45/75/135304575.db2.gz OVEPDLRWEJJSSW-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591321 135306943 /nfs/dbraw/zinc/30/69/43/135306943.db2.gz TXSWSACESAVJGX-ZJUUUORDSA-N 1 3 229.368 0.803 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262586421 135307279 /nfs/dbraw/zinc/30/72/79/135307279.db2.gz SOVFRBKNRGWGGD-PWSUYJOCSA-N 1 3 239.363 0.524 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262611960 135308610 /nfs/dbraw/zinc/30/86/10/135308610.db2.gz FBHBDHOBOYIPFV-NAKRPEOUSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)N(C)C ZINC000342711492 135313731 /nfs/dbraw/zinc/31/37/31/135313731.db2.gz LXYCRBULAPQKQN-MNOVXSKESA-N 1 3 227.352 0.298 20 0 BCADHO NC1(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000262710838 135314624 /nfs/dbraw/zinc/31/46/24/135314624.db2.gz QHMOIPPRBLICND-LLVKDONJSA-N 1 3 237.347 0.422 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342722493 135315088 /nfs/dbraw/zinc/31/50/88/135315088.db2.gz TWASYOTXBRKRPT-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)N(C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262839033 135320701 /nfs/dbraw/zinc/32/07/01/135320701.db2.gz WWWLVILRQAWCGA-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262839033 135320703 /nfs/dbraw/zinc/32/07/03/135320703.db2.gz WWWLVILRQAWCGA-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCN[C@H](C)[C@H]1C ZINC000262839033 135320705 /nfs/dbraw/zinc/32/07/05/135320705.db2.gz WWWLVILRQAWCGA-GHMZBOCLSA-N 1 3 227.352 0.535 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000262839099 135321281 /nfs/dbraw/zinc/32/12/81/135321281.db2.gz WZGWGMVDYXWGLZ-FOGDFJRCSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@@H](C(N)=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079492108 135327187 /nfs/dbraw/zinc/32/71/87/135327187.db2.gz VCMNWANZVICRFM-JTQLQIEISA-N 1 3 227.352 0.524 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263221671 135340477 /nfs/dbraw/zinc/34/04/77/135340477.db2.gz LYQGPCPBIBJDIO-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO CNCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000263227959 135341064 /nfs/dbraw/zinc/34/10/64/135341064.db2.gz BGCXGKDJLZAQJE-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000263227959 135341065 /nfs/dbraw/zinc/34/10/65/135341065.db2.gz BGCXGKDJLZAQJE-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1C[NH2+]C1 ZINC000164474178 135344287 /nfs/dbraw/zinc/34/42/87/135344287.db2.gz PQBYOKNTKILGRZ-MWLCHTKSSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(N)CCCCC1 ZINC000334325504 135354162 /nfs/dbraw/zinc/35/41/62/135354162.db2.gz KRGRDCQINLCVKK-MNOVXSKESA-N 1 3 239.363 0.844 20 0 BCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000334340484 135363507 /nfs/dbraw/zinc/36/35/07/135363507.db2.gz HIZPZXJENIVUOS-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1 ZINC000334340484 135363509 /nfs/dbraw/zinc/36/35/09/135363509.db2.gz HIZPZXJENIVUOS-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000334340482 135363859 /nfs/dbraw/zinc/36/38/59/135363859.db2.gz HIZPZXJENIVUOS-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1 ZINC000334340482 135363861 /nfs/dbraw/zinc/36/38/61/135363861.db2.gz HIZPZXJENIVUOS-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)NCCN1CCCCC1 ZINC000089747325 135541094 /nfs/dbraw/zinc/54/10/94/135541094.db2.gz ZWDCZRHJYIRJBW-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335283422 136001342 /nfs/dbraw/zinc/00/13/42/136001342.db2.gz HLFGVEFSKGJESS-WDEREUQCSA-N 1 3 237.347 0.326 20 0 BCADHO CCN1CCC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000335285055 136002187 /nfs/dbraw/zinc/00/21/87/136002187.db2.gz IOVCTQMLLVIIPY-MNOVXSKESA-N 1 3 240.351 0.213 20 0 BCADHO CNCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335322140 136050054 /nfs/dbraw/zinc/05/00/54/136050054.db2.gz PLJATPDWAURWSG-LLVKDONJSA-N 1 3 225.336 0.054 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(N)CCCC1 ZINC000335327681 136052860 /nfs/dbraw/zinc/05/28/60/136052860.db2.gz JRPDIKWXGBPFNA-UWVGGRQHSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CN1C1CC1 ZINC000335562880 136106567 /nfs/dbraw/zinc/10/65/67/136106567.db2.gz ZNJYGAMVZVBJCL-VHSXEESVSA-N 1 3 237.347 0.337 20 0 BCADHO CC1(C)CN(C(=O)CC2CC[NH2+]CC2)CCN1 ZINC000335599725 136114179 /nfs/dbraw/zinc/11/41/79/136114179.db2.gz WLXFCBBFCZOZTF-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1NCC1(C)C ZINC000381566318 397755483 /nfs/dbraw/zinc/75/54/83/397755483.db2.gz SQIZFXIZKCUPOT-DTWKUNHWSA-N 1 3 213.325 0.084 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000248858944 397766611 /nfs/dbraw/zinc/76/66/11/397766611.db2.gz LTWUUIMXVBYMTB-GARJFASQSA-N 1 3 239.363 0.855 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000370768069 397942156 /nfs/dbraw/zinc/94/21/56/397942156.db2.gz XSYMVEFIXRWUAJ-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@H+](C)CC ZINC000054133199 397903724 /nfs/dbraw/zinc/90/37/24/397903724.db2.gz SOSFHJFTKIUKQD-NXEZZACHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054133199 397903727 /nfs/dbraw/zinc/90/37/27/397903727.db2.gz SOSFHJFTKIUKQD-NXEZZACHSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000164994424 398001790 /nfs/dbraw/zinc/00/17/90/398001790.db2.gz PYPCRECCRQFSHS-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000164994424 398001793 /nfs/dbraw/zinc/00/17/93/398001793.db2.gz PYPCRECCRQFSHS-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953139 398010063 /nfs/dbraw/zinc/01/00/63/398010063.db2.gz DJZJXIBPBUQKTM-GXSJLCMTSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H](C)[NH3+] ZINC000645953098 398010103 /nfs/dbraw/zinc/01/01/03/398010103.db2.gz ANFHBZVGXMIKGG-SCVCMEIPSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953194 398010881 /nfs/dbraw/zinc/01/08/81/398010881.db2.gz HXUDMWLNGLACRR-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@@H]1CN(C[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000414705228 398021252 /nfs/dbraw/zinc/02/12/52/398021252.db2.gz NSCOJXBHMGSBRK-XQQFMLRXSA-N 1 3 242.363 0.722 20 0 BCADHO CC[NH2+]CCNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418320940 398035071 /nfs/dbraw/zinc/03/50/71/398035071.db2.gz XDVOOUHIPHWAGG-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000365049028 397987420 /nfs/dbraw/zinc/98/74/20/397987420.db2.gz RQXWERDHLXSZDF-PWSUYJOCSA-N 1 3 245.342 0.535 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000365049028 397987422 /nfs/dbraw/zinc/98/74/22/397987422.db2.gz RQXWERDHLXSZDF-PWSUYJOCSA-N 1 3 245.342 0.535 20 0 BCADHO C[N@H+](C[C@H](O)CNCCC1(O)CCC1)C1CC1 ZINC000397700934 398058455 /nfs/dbraw/zinc/05/84/55/398058455.db2.gz ITUDQDOMJFBTHJ-GFCCVEGCSA-N 1 3 242.363 0.336 20 0 BCADHO C[N@@H+](C[C@H](O)CNCCC1(O)CCC1)C1CC1 ZINC000397700934 398058459 /nfs/dbraw/zinc/05/84/59/398058459.db2.gz ITUDQDOMJFBTHJ-GFCCVEGCSA-N 1 3 242.363 0.336 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236929678 398117713 /nfs/dbraw/zinc/11/77/13/398117713.db2.gz YNMRECXAUZJGNW-UTUOFQBUSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000237626937 398112691 /nfs/dbraw/zinc/11/26/91/398112691.db2.gz AHLIZCMHGWHKRJ-LPEHRKFASA-N 1 3 213.325 0.132 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000237626937 398112694 /nfs/dbraw/zinc/11/26/94/398112694.db2.gz AHLIZCMHGWHKRJ-LPEHRKFASA-N 1 3 213.325 0.132 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CCOC1 ZINC000309202944 398114136 /nfs/dbraw/zinc/11/41/36/398114136.db2.gz BUMVYGQBNQLWKE-VXGBXAGGSA-N 1 3 230.352 0.267 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CCOC1 ZINC000309202944 398114139 /nfs/dbraw/zinc/11/41/39/398114139.db2.gz BUMVYGQBNQLWKE-VXGBXAGGSA-N 1 3 230.352 0.267 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+](C)CCCO ZINC000336691310 398132988 /nfs/dbraw/zinc/13/29/88/398132988.db2.gz PTKKXWHBUATZAA-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+](C)CCCO ZINC000336691310 398132990 /nfs/dbraw/zinc/13/29/90/398132990.db2.gz PTKKXWHBUATZAA-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC2([NH3+])CCC2)C1 ZINC000086853421 487566705 /nfs/dbraw/zinc/56/67/05/487566705.db2.gz PREPKLZGVZUNMT-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC(C)(C)[NH3+] ZINC000393768866 487580662 /nfs/dbraw/zinc/58/06/62/487580662.db2.gz DJEIIWQQMMDNBJ-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)C(F)F)C1 ZINC000300354837 487591164 /nfs/dbraw/zinc/59/11/64/487591164.db2.gz KCYBVTJIHAVQGW-CSMHCCOUSA-N 1 3 208.252 0.472 20 0 BCADHO CCO[C@H](CC[NH+](C)C)CNCc1cn[nH]c1 ZINC000674711144 487607834 /nfs/dbraw/zinc/60/78/34/487607834.db2.gz QNTNHDUPCDJZPN-GFCCVEGCSA-N 1 3 240.351 0.856 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662263835 409560867 /nfs/dbraw/zinc/56/08/67/409560867.db2.gz OUBKGUCVFQWMBJ-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662263835 409560878 /nfs/dbraw/zinc/56/08/78/409560878.db2.gz OUBKGUCVFQWMBJ-QWHCGFSZSA-N 1 3 241.379 0.248 20 0 BCADHO CCCN(C[C@@H]1CNCCO1)[C@H]1CC[NH2+]C1 ZINC000662244098 409535978 /nfs/dbraw/zinc/53/59/78/409535978.db2.gz BQGPSPBLSZFVLQ-RYUDHWBXSA-N 1 3 227.352 0.049 20 0 BCADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H]1CNCCO1)C2 ZINC000662286957 409619003 /nfs/dbraw/zinc/61/90/03/409619003.db2.gz UYJIAKUCZDELFN-XQQFMLRXSA-N 1 3 239.363 0.036 20 0 BCADHO OCC1([NH2+]C[C@@H]2CCC3(CNC3)O2)CCCC1 ZINC000662287105 409621896 /nfs/dbraw/zinc/62/18/96/409621896.db2.gz WAJXDQBDKSCSFI-NSHDSACASA-N 1 3 240.347 0.402 20 0 BCADHO NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294149 409625135 /nfs/dbraw/zinc/62/51/35/409625135.db2.gz PMFLXCUMPPULIA-NSHDSACASA-N 1 3 225.336 0.183 20 0 BCADHO CC[C@@H]1CN(C[C@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662270761 409572727 /nfs/dbraw/zinc/57/27/27/409572727.db2.gz MWJJVOMOZOFUFA-UTUOFQBUSA-N 1 3 227.352 0.034 20 0 BCADHO COC[C@H](CN1CC[C@](C)(C[NH3+])C1)OC ZINC000662273186 409580638 /nfs/dbraw/zinc/58/06/38/409580638.db2.gz MIMXXAMAFWSIRL-WDEREUQCSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@H](C[N@@H+]1CC[C@](C)(CN)C1)OC ZINC000662273186 409580645 /nfs/dbraw/zinc/58/06/45/409580645.db2.gz MIMXXAMAFWSIRL-WDEREUQCSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@H](C[N@H+]1CC[C@](C)(CN)C1)OC ZINC000662273186 409580650 /nfs/dbraw/zinc/58/06/50/409580650.db2.gz MIMXXAMAFWSIRL-WDEREUQCSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@@H](CN1CC[C@](C)(C[NH3+])C1)OC ZINC000662273183 409580893 /nfs/dbraw/zinc/58/08/93/409580893.db2.gz MIMXXAMAFWSIRL-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@@H](C[N@@H+]1CC[C@](C)(CN)C1)OC ZINC000662273183 409580898 /nfs/dbraw/zinc/58/08/98/409580898.db2.gz MIMXXAMAFWSIRL-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@@H](C[N@H+]1CC[C@](C)(CN)C1)OC ZINC000662273183 409580906 /nfs/dbraw/zinc/58/09/06/409580906.db2.gz MIMXXAMAFWSIRL-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO NCc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662393784 409695224 /nfs/dbraw/zinc/69/52/24/409695224.db2.gz XKSNATWXSUOPPD-MGCOHNPYSA-N 1 3 219.288 0.821 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000662421534 409705299 /nfs/dbraw/zinc/70/52/99/409705299.db2.gz FGTMOLGAUNKKHC-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662423879 409710122 /nfs/dbraw/zinc/71/01/22/409710122.db2.gz OXOGMZUIBLTNFL-LLVKDONJSA-N 1 3 239.363 0.761 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000662383483 409687477 /nfs/dbraw/zinc/68/74/77/409687477.db2.gz LKSWXTCAWMZALI-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000662515534 409743210 /nfs/dbraw/zinc/74/32/10/409743210.db2.gz VUFJITSQAUBIQQ-HBNTYKKESA-N 1 3 225.336 0.147 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000662552648 409755617 /nfs/dbraw/zinc/75/56/17/409755617.db2.gz CROYORMPTFMKIS-CYBMUJFWSA-N 1 3 247.342 0.904 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)CC[NH3+] ZINC000662691721 409838228 /nfs/dbraw/zinc/83/82/28/409838228.db2.gz AAZMCITUTPQCFE-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)CC[NH3+] ZINC000662691722 409838688 /nfs/dbraw/zinc/83/86/88/409838688.db2.gz AAZMCITUTPQCFE-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H](C)CN1 ZINC000653128576 409840922 /nfs/dbraw/zinc/84/09/22/409840922.db2.gz LWJXDLNDDQGEQU-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662623659 409795287 /nfs/dbraw/zinc/79/52/87/409795287.db2.gz ZOGIWTWRAARMEV-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623644 409795639 /nfs/dbraw/zinc/79/56/39/409795639.db2.gz ZOAARWSOHPGVHG-MNOVXSKESA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623644 409795646 /nfs/dbraw/zinc/79/56/46/409795646.db2.gz ZOAARWSOHPGVHG-MNOVXSKESA-N 1 3 241.379 0.959 20 0 BCADHO CN1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653105174 409799072 /nfs/dbraw/zinc/79/90/72/409799072.db2.gz JOMLKHRKXJFQAI-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO COCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000070543328 409802729 /nfs/dbraw/zinc/80/27/29/409802729.db2.gz KVXOOLBGQZFSIN-GFCCVEGCSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H](CCNC(=O)[C@@H](N)C1CCC1)[NH+](C)C ZINC000662632590 409803780 /nfs/dbraw/zinc/80/37/80/409803780.db2.gz FMZDAKIKQMDKLJ-ONGXEEELSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CCNC(=O)[C@@H]1NCC1(C)C)[NH+](C)C ZINC000662636506 409807372 /nfs/dbraw/zinc/80/73/72/409807372.db2.gz YVTXKVMOHIVNMR-ZJUUUORDSA-N 1 3 227.352 0.441 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653139378 409860604 /nfs/dbraw/zinc/86/06/04/409860604.db2.gz BYEJQEUCKCYFNU-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CCN(CCNC(=O)[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000662711924 409864802 /nfs/dbraw/zinc/86/48/02/409864802.db2.gz PJMJLQAMSKIAOE-MGCOHNPYSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000662720003 409868546 /nfs/dbraw/zinc/86/85/46/409868546.db2.gz NXJHRDLCKMTRTP-IJLUTSLNSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H](CCNC(=O)[C@@H]1C[C@H](C)CCN1)[NH+](C)C ZINC000662859125 409957723 /nfs/dbraw/zinc/95/77/23/409957723.db2.gz KCRSXNATCXDHRP-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000660925707 409974084 /nfs/dbraw/zinc/97/40/84/409974084.db2.gz FHVCEAUNOLJWIB-WCQYABFASA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C[C@H](C)O)C1CC1 ZINC000660925707 409974088 /nfs/dbraw/zinc/97/40/88/409974088.db2.gz FHVCEAUNOLJWIB-WCQYABFASA-N 1 3 244.379 0.533 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662835014 409947030 /nfs/dbraw/zinc/94/70/30/409947030.db2.gz KAYXFYLKSYZDIH-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000662969197 409998095 /nfs/dbraw/zinc/99/80/95/409998095.db2.gz YLVJPSCLUGVIFM-UTLUCORTSA-N 1 3 213.325 0.099 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662968449 409999371 /nfs/dbraw/zinc/99/93/71/409999371.db2.gz HWQQVSQMNLFYIU-GXFFZTMASA-N 1 3 247.342 0.598 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)C1(N)CC1 ZINC000653175806 410151680 /nfs/dbraw/zinc/15/16/80/410151680.db2.gz BOKNYFNUKKMSIU-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)C1(N)CC1 ZINC000653175806 410151686 /nfs/dbraw/zinc/15/16/86/410151686.db2.gz BOKNYFNUKKMSIU-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH2+]Cc1ccccc1CNC(=O)C1(N)CC1 ZINC000653211012 410165274 /nfs/dbraw/zinc/16/52/74/410165274.db2.gz OCGSRPKVIVQSJM-UHFFFAOYSA-N 1 3 233.315 0.514 20 0 BCADHO CNCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000653225724 410173879 /nfs/dbraw/zinc/17/38/79/410173879.db2.gz BBZISFGUENTUQZ-UHFFFAOYSA-N 1 3 225.267 0.120 20 0 BCADHO C[C@H]1CCCN(C(=O)CNC2CC2)[C@H]1CC[NH3+] ZINC000653239807 410181056 /nfs/dbraw/zinc/18/10/56/410181056.db2.gz FQEFGTVOLYQRKT-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653240096 410181102 /nfs/dbraw/zinc/18/11/02/410181102.db2.gz JWCVZVQRSFTVBU-HBNTYKKESA-N 1 3 227.352 0.700 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@H]1CN ZINC000650714655 410348525 /nfs/dbraw/zinc/34/85/25/410348525.db2.gz WTVMWMWIXYPZMX-NNYUYHANSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)C[C@H]1CN ZINC000650714655 410348529 /nfs/dbraw/zinc/34/85/29/410348529.db2.gz WTVMWMWIXYPZMX-NNYUYHANSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1CN(C[C@@H]2C[C@@H]2C)C[C@H]1C[NH3+] ZINC000650714655 410348536 /nfs/dbraw/zinc/34/85/36/410348536.db2.gz WTVMWMWIXYPZMX-NNYUYHANSA-N 1 3 212.337 0.938 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653267990 410318784 /nfs/dbraw/zinc/31/87/84/410318784.db2.gz ZBCHFGBVNONAOA-JQWIXIFHSA-N 1 3 241.379 0.866 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC[C@@H](C)[NH3+])C1 ZINC000389400394 487617137 /nfs/dbraw/zinc/61/71/37/487617137.db2.gz PLLCKDGOBGVMLV-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653272267 410540318 /nfs/dbraw/zinc/54/03/18/410540318.db2.gz GDDYYJPSMGKTKO-SNVBAGLBSA-N 1 3 213.325 0.230 20 0 BCADHO CN(CCN1CCCCC1)C(=O)C1(C)C[NH2+]C1 ZINC000653274310 410553630 /nfs/dbraw/zinc/55/36/30/410553630.db2.gz CNSHLASGXYSSGH-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@@H](C(=O)N(C)CCN1CCCCC1)[C@H](C)[NH3+] ZINC000653274634 410554675 /nfs/dbraw/zinc/55/46/75/410554675.db2.gz LEYJVRGTTUISLI-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000653274635 410555077 /nfs/dbraw/zinc/55/50/77/410555077.db2.gz LEYJVRGTTUISLI-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185089168 169764290 /nfs/dbraw/zinc/76/42/90/169764290.db2.gz RMXFKBHAUMKELA-TUAOUCFPSA-N 1 3 239.363 0.524 20 0 BCADHO CO[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCOC1 ZINC000665235367 410726270 /nfs/dbraw/zinc/72/62/70/410726270.db2.gz VAIIPUAZRAPBOV-UMSGYPCISA-N 1 3 242.363 0.897 20 0 BCADHO CC[C@H](Cn1cncn1)[NH2+]CC1(N)CCCC1 ZINC000665246450 410729576 /nfs/dbraw/zinc/72/95/76/410729576.db2.gz GCUFWBRGHOARBI-LLVKDONJSA-N 1 3 237.351 0.918 20 0 BCADHO CC[C@H](Cn1cncn1)NCC1([NH3+])CCCC1 ZINC000665246450 410729581 /nfs/dbraw/zinc/72/95/81/410729581.db2.gz GCUFWBRGHOARBI-LLVKDONJSA-N 1 3 237.351 0.918 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665262106 410734744 /nfs/dbraw/zinc/73/47/44/410734744.db2.gz UJIQVJNPPIRHIH-GWOFURMSSA-N 1 3 216.325 0.099 20 0 BCADHO C[C@H](NC[C@H](O)C[NH+](C)C)[C@H]1CCCCO1 ZINC000393883928 410762732 /nfs/dbraw/zinc/76/27/32/410762732.db2.gz RUIZYJYXOQDFPM-SDDRHHMPSA-N 1 3 230.352 0.456 20 0 BCADHO CN[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000655485710 410779527 /nfs/dbraw/zinc/77/95/27/410779527.db2.gz IZQGSINNLBBIBC-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489145 410795757 /nfs/dbraw/zinc/79/57/57/410795757.db2.gz MQHYFNUYPQPLIV-OUAUKWLOSA-N 1 3 227.352 0.426 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489385 410797873 /nfs/dbraw/zinc/79/78/73/410797873.db2.gz PUWOJHLFRDCYLS-NTZNESFSSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488855 410800338 /nfs/dbraw/zinc/80/03/38/410800338.db2.gz HQSLLAFUWNLJPD-AEJSXWLSSA-N 1 3 213.325 0.180 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000655489657 410800707 /nfs/dbraw/zinc/80/07/07/410800707.db2.gz YHSHRSBDSLEJQA-DTORHVGOSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488823 410801240 /nfs/dbraw/zinc/80/12/40/410801240.db2.gz GQAKYZLKINESJY-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)N1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332713365 167033644 /nfs/dbraw/zinc/03/36/44/167033644.db2.gz PISCDLQKLWIPOR-QJPTWQEYSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000078802650 167066851 /nfs/dbraw/zinc/06/68/51/167066851.db2.gz NYRGMMKLBLLPNM-UHFFFAOYSA-N 1 3 244.383 0.530 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000359384742 167342635 /nfs/dbraw/zinc/34/26/35/167342635.db2.gz SNZDQINYYSFLMC-TUAOUCFPSA-N 1 3 239.363 0.250 20 0 BCADHO CC(C)[C@@H](C(=O)NCCC[NH+](C)C)N(C)C ZINC000340953035 167343336 /nfs/dbraw/zinc/34/33/36/167343336.db2.gz LQEQDZXLMFEOPA-NSHDSACASA-N 1 3 229.368 0.641 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000236711371 167345670 /nfs/dbraw/zinc/34/56/70/167345670.db2.gz OCMQGSDZOOEWCP-MNOVXSKESA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037467319 167413392 /nfs/dbraw/zinc/41/33/92/167413392.db2.gz YAHCPCNXXNYGKM-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@H](C)[NH3+] ZINC000041680311 410933963 /nfs/dbraw/zinc/93/39/63/410933963.db2.gz OCIBFCYQPRPRHA-JTQLQIEISA-N 1 3 215.341 0.524 20 0 BCADHO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)N ZINC000390514145 411065876 /nfs/dbraw/zinc/06/58/76/411065876.db2.gz CNSSPEFCZZOCRQ-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000651939390 411155260 /nfs/dbraw/zinc/15/52/60/411155260.db2.gz DRVICHOOIYLWGY-WISYIIOYSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000651939390 411155264 /nfs/dbraw/zinc/15/52/64/411155264.db2.gz DRVICHOOIYLWGY-WISYIIOYSA-N 1 3 237.347 0.467 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](COC)OC)C1 ZINC000659989629 411159024 /nfs/dbraw/zinc/15/90/24/411159024.db2.gz PWYUNFPPFUIAAB-STQMWFEESA-N 1 3 244.379 0.921 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](COC)OC)C1 ZINC000659989629 411159029 /nfs/dbraw/zinc/15/90/29/411159029.db2.gz PWYUNFPPFUIAAB-STQMWFEESA-N 1 3 244.379 0.921 20 0 BCADHO C[C@H](CNC(=O)CCCC[NH3+])N(C)C ZINC000069733573 411159442 /nfs/dbraw/zinc/15/94/42/411159442.db2.gz QYCQOICMJZTRRL-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)([NH3+])CCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655504373 411114554 /nfs/dbraw/zinc/11/45/54/411114554.db2.gz AZTWNCLMSFQGFU-LURJTMIESA-N 1 3 241.257 0.510 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)N2C[C@H]1CC[NH2+]C1 ZINC000309544500 411168936 /nfs/dbraw/zinc/16/89/36/411168936.db2.gz ZFVPGBTUTIWAMC-WSMDXJOWSA-N 1 3 210.321 0.584 20 0 BCADHO Cn1ccnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401105745 411177094 /nfs/dbraw/zinc/17/70/94/411177094.db2.gz FIKNENHUGJUAFV-QJPTWQEYSA-N 1 3 234.347 0.898 20 0 BCADHO Cn1nnc2c1CC[C@H](N[C@@H]1CCC[NH2+]CC1)C2 ZINC000656193817 411199496 /nfs/dbraw/zinc/19/94/96/411199496.db2.gz UMEJQJMFAXWYFD-MNOVXSKESA-N 1 3 249.362 0.404 20 0 BCADHO Cn1nnc2c1CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000656193296 411200436 /nfs/dbraw/zinc/20/04/36/411200436.db2.gz FFPVIWYPLLDEHT-VWYCJHECSA-N 1 3 249.362 0.532 20 0 BCADHO Cn1nnc2c1CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000656193293 411201042 /nfs/dbraw/zinc/20/10/42/411201042.db2.gz FFPVIWYPLLDEHT-AXFHLTTASA-N 1 3 249.362 0.532 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424190567 411245208 /nfs/dbraw/zinc/24/52/08/411245208.db2.gz MQXDMBXNQMVQDA-NOOOWODRSA-N 1 3 237.347 0.182 20 0 BCADHO Cc1nc2n(n1)C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000656197487 411203216 /nfs/dbraw/zinc/20/32/16/411203216.db2.gz MJIPZXPYAOXRAZ-IJLUTSLNSA-N 1 3 249.362 0.761 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198330 411203356 /nfs/dbraw/zinc/20/33/56/411203356.db2.gz QHNVUZROYRFDSR-IRCOFANPSA-N 1 3 210.321 0.783 20 0 BCADHO NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000656200026 411203864 /nfs/dbraw/zinc/20/38/64/411203864.db2.gz DUEFXVLWASTMMU-AATLWQCWSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200026 411203867 /nfs/dbraw/zinc/20/38/67/411203867.db2.gz DUEFXVLWASTMMU-AATLWQCWSA-N 1 3 211.309 0.110 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2c(nnn2C)C1 ZINC000656200258 411203945 /nfs/dbraw/zinc/20/39/45/411203945.db2.gz KNLFDRZOKLHFKW-LPEHRKFASA-N 1 3 237.351 0.388 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000656200258 411203947 /nfs/dbraw/zinc/20/39/47/411203947.db2.gz KNLFDRZOKLHFKW-LPEHRKFASA-N 1 3 237.351 0.388 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2c(nnn2C)C1 ZINC000656200256 411204499 /nfs/dbraw/zinc/20/44/99/411204499.db2.gz KNLFDRZOKLHFKW-GUBZILKMSA-N 1 3 237.351 0.388 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000656200256 411204502 /nfs/dbraw/zinc/20/45/02/411204502.db2.gz KNLFDRZOKLHFKW-GUBZILKMSA-N 1 3 237.351 0.388 20 0 BCADHO COCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CC1 ZINC000656199714 411204732 /nfs/dbraw/zinc/20/47/32/411204732.db2.gz BIYHVEQQMHKSGQ-QJPTWQEYSA-N 1 3 242.363 0.755 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCCC[C@H](COC)C1 ZINC000652341542 411207085 /nfs/dbraw/zinc/20/70/85/411207085.db2.gz XPJFQJPCRPSFIO-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCCC[C@H](COC)C1 ZINC000652341542 411207086 /nfs/dbraw/zinc/20/70/86/411207086.db2.gz XPJFQJPCRPSFIO-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCCC[C@H](COC)C1 ZINC000652341542 411207087 /nfs/dbraw/zinc/20/70/87/411207087.db2.gz XPJFQJPCRPSFIO-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO C[C@@H](CO)C1CC[NH+](C[C@H](C)N)CC1 ZINC000652358539 411215005 /nfs/dbraw/zinc/21/50/05/411215005.db2.gz QDBSICUULLNIIR-UWVGGRQHSA-N 1 3 200.326 0.674 20 0 BCADHO CC[NH+]1CCC(NC[C@@](C)(CO)OC)CC1 ZINC000655785152 411225922 /nfs/dbraw/zinc/22/59/22/411225922.db2.gz HNMLFMILJPXLGF-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CNC(=O)[C@H]1CCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000396729299 411240483 /nfs/dbraw/zinc/24/04/83/411240483.db2.gz CUQVALHMGVSAOU-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO c1c(CNCC2CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656466736 411279302 /nfs/dbraw/zinc/27/93/02/411279302.db2.gz HNNMXDSOOMLCJM-NSHDSACASA-N 1 3 221.308 0.312 20 0 BCADHO c1c(CNC2CCCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656468737 411280863 /nfs/dbraw/zinc/28/08/63/411280863.db2.gz RLCBWVIGXOJWNR-GFCCVEGCSA-N 1 3 235.335 0.845 20 0 BCADHO CCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919201 411286316 /nfs/dbraw/zinc/28/63/16/411286316.db2.gz CAPUMUUZOIIBLW-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2CCC(=O)N2)CC1 ZINC000070680209 411299780 /nfs/dbraw/zinc/29/97/80/411299780.db2.gz OLMXJAOHTPBTGA-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1NCC1(C)C ZINC000653444816 411256019 /nfs/dbraw/zinc/25/60/19/411256019.db2.gz PXMGLVMRRWRTLC-OPRDCNLKSA-N 1 3 225.336 0.323 20 0 BCADHO CN(CCNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000061996773 411256705 /nfs/dbraw/zinc/25/67/05/411256705.db2.gz VKFCPLRAPFPETG-ZDUSSCGKSA-N 1 3 241.379 0.127 20 0 BCADHO CCCCNC(=O)CCN(C)CCC[NH3+] ZINC000309811240 411257250 /nfs/dbraw/zinc/25/72/50/411257250.db2.gz UFPPNKANYUDUCV-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000659325549 411353619 /nfs/dbraw/zinc/35/36/19/411353619.db2.gz UUUWFAHKVKYFJB-RYUDHWBXSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)(N)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656787213 411365669 /nfs/dbraw/zinc/36/56/69/411365669.db2.gz HBMWQRGFESRYEX-SNVBAGLBSA-N 1 3 223.324 0.337 20 0 BCADHO CC(C)(N)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656787213 411365672 /nfs/dbraw/zinc/36/56/72/411365672.db2.gz HBMWQRGFESRYEX-SNVBAGLBSA-N 1 3 223.324 0.337 20 0 BCADHO C[C@]1(CN2CC[C@@H](Cn3ccnn3)C2)CC[NH2+]C1 ZINC000656786837 411366263 /nfs/dbraw/zinc/36/62/63/411366263.db2.gz AZINWEUWBLLRMF-OLZOCXBDSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@]12COC[C@H]1C[N@H+](C[C@@H]1CCCNC1)C2 ZINC000656790901 411371153 /nfs/dbraw/zinc/37/11/53/411371153.db2.gz CGXWJBMYLJETTH-UPJWGTAASA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000656790901 411371155 /nfs/dbraw/zinc/37/11/55/411371155.db2.gz CGXWJBMYLJETTH-UPJWGTAASA-N 1 3 224.348 0.954 20 0 BCADHO CO[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848476 411340561 /nfs/dbraw/zinc/34/05/61/411340561.db2.gz AAZJYCXFODGAFJ-XQQFMLRXSA-N 1 3 224.348 0.953 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000659318714 411344411 /nfs/dbraw/zinc/34/44/11/411344411.db2.gz GPDDFQPFDJLZFA-VIFPVBQESA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)(N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000309262012 168028452 /nfs/dbraw/zinc/02/84/52/168028452.db2.gz BMFONWSZBRVMJW-UHFFFAOYSA-N 1 3 213.325 0.230 20 0 BCADHO CC1CC[NH+](CCCNC(=O)CN)CC1 ZINC000040832984 168179925 /nfs/dbraw/zinc/17/99/25/168179925.db2.gz BSYJJUXLLDLKFY-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCC(C)CC1 ZINC000054343523 168180794 /nfs/dbraw/zinc/18/07/94/168180794.db2.gz NJUDTNLTCNRRIJ-LLVKDONJSA-N 1 3 227.352 0.429 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCN1 ZINC000638196525 411457404 /nfs/dbraw/zinc/45/74/04/411457404.db2.gz AJEODJCPWJXURA-VXGBXAGGSA-N 1 3 237.347 0.490 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)CNC2CC2)CC1 ZINC000571163202 411394144 /nfs/dbraw/zinc/39/41/44/411394144.db2.gz XHSXRLVIKGFKGE-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000657071218 411402218 /nfs/dbraw/zinc/40/22/18/411402218.db2.gz JCCMCMRCQRWFBL-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000657071218 411402221 /nfs/dbraw/zinc/40/22/21/411402221.db2.gz JCCMCMRCQRWFBL-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659375192 411405572 /nfs/dbraw/zinc/40/55/72/411405572.db2.gz HSGYDWBZILYUTF-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])C1 ZINC000659551551 411434540 /nfs/dbraw/zinc/43/45/40/411434540.db2.gz VFRPCCOGCWUXQE-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](OC)CC1 ZINC000653612974 411439815 /nfs/dbraw/zinc/43/98/15/411439815.db2.gz OWGLBWCESCFOLD-CHWSQXEVSA-N 1 3 244.379 0.800 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](OC)CC1 ZINC000653612974 411439816 /nfs/dbraw/zinc/43/98/16/411439816.db2.gz OWGLBWCESCFOLD-CHWSQXEVSA-N 1 3 244.379 0.800 20 0 BCADHO CCCN1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])C1 ZINC000659611167 411441739 /nfs/dbraw/zinc/44/17/39/411441739.db2.gz QCMYHFBRDUBHSG-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO CCO[C@@H]1CN([C@H](C)CCOC)C[C@H]1C[NH3+] ZINC000405852820 411443414 /nfs/dbraw/zinc/44/34/14/411443414.db2.gz KFCWZQKPZHNZIR-IJLUTSLNSA-N 1 3 230.352 0.707 20 0 BCADHO CCO[C@@H]1C[N@@H+]([C@H](C)CCOC)C[C@H]1CN ZINC000405852820 411443419 /nfs/dbraw/zinc/44/34/19/411443419.db2.gz KFCWZQKPZHNZIR-IJLUTSLNSA-N 1 3 230.352 0.707 20 0 BCADHO CCO[C@@H]1C[N@H+]([C@H](C)CCOC)C[C@H]1CN ZINC000405852820 411443424 /nfs/dbraw/zinc/44/34/24/411443424.db2.gz KFCWZQKPZHNZIR-IJLUTSLNSA-N 1 3 230.352 0.707 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000659644956 411443796 /nfs/dbraw/zinc/44/37/96/411443796.db2.gz ICYHQEVUVTUWTH-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CCCN(C(=O)[C@@H](C)NCC)[C@@H]1CC[NH2+]C1 ZINC000637834025 411444147 /nfs/dbraw/zinc/44/41/47/411444147.db2.gz UIEIGMTUBRFMJY-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN(C(=O)[C@@H](CC)N(C)C)[C@H]1CC[NH2+]C1 ZINC000637834212 411444171 /nfs/dbraw/zinc/44/41/71/411444171.db2.gz YTJCEZZXAXCFOW-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C(=O)[C@H](CC)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000637834211 411444315 /nfs/dbraw/zinc/44/43/15/411444315.db2.gz YTJCEZZXAXCFOW-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)N(C)C ZINC000407298454 411477820 /nfs/dbraw/zinc/47/78/20/411477820.db2.gz AYLGKLKJKSQWLN-JLLWLGSASA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)N(C)C ZINC000407298456 411477834 /nfs/dbraw/zinc/47/78/34/411477834.db2.gz AYLGKLKJKSQWLN-YUSALJHKSA-N 1 3 239.363 0.583 20 0 BCADHO c1cncc([C@H]2CNCCN2C[C@@H]2CC[NH2+]C2)c1 ZINC000647952929 411494862 /nfs/dbraw/zinc/49/48/62/411494862.db2.gz FPCPAGLVGRLYSO-TZMCWYRMSA-N 1 3 246.358 0.637 20 0 BCADHO N[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000127648132 411499297 /nfs/dbraw/zinc/49/92/97/411499297.db2.gz BIDZBRYNWLVKAW-DGCLKSJQSA-N 1 3 247.342 0.802 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000236825946 169961188 /nfs/dbraw/zinc/96/11/88/169961188.db2.gz INDQVYNDVMPBDX-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cc[nH]n2)C1 ZINC000655826516 411529673 /nfs/dbraw/zinc/52/96/73/411529673.db2.gz GUUBWQOSIVZDAJ-JGZJWPJOSA-N 1 3 208.309 0.840 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000309028816 170007440 /nfs/dbraw/zinc/00/74/40/170007440.db2.gz CJEQMBPTFJRVEQ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(N)=O)C1 ZINC000309028816 170007441 /nfs/dbraw/zinc/00/74/41/170007441.db2.gz CJEQMBPTFJRVEQ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)CC(N)=O)C1 ZINC000309028816 170007442 /nfs/dbraw/zinc/00/74/42/170007442.db2.gz CJEQMBPTFJRVEQ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@@H]2C)C1 ZINC000336751571 170017043 /nfs/dbraw/zinc/01/70/43/170017043.db2.gz CIPUVJCXQGAHQB-YNEHKIRRSA-N 1 3 225.380 0.868 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335150624 170019590 /nfs/dbraw/zinc/01/95/90/170019590.db2.gz PBPOEQJBYLGKPQ-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335150624 170019591 /nfs/dbraw/zinc/01/95/91/170019591.db2.gz PBPOEQJBYLGKPQ-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CCNC(=O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000036794953 170095045 /nfs/dbraw/zinc/09/50/45/170095045.db2.gz BQPWJMTYJROLOE-YEJSDXFRSA-N 1 3 239.363 0.726 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)[C@H](C)CC ZINC000236931202 170114424 /nfs/dbraw/zinc/11/44/24/170114424.db2.gz XLEVIHIPQZEZJL-BDAKNGLRSA-N 1 3 201.314 0.086 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000358917517 170139559 /nfs/dbraw/zinc/13/95/59/170139559.db2.gz VDPDYGQPMWMOBM-AAEUAGOBSA-N 1 3 249.358 0.843 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000358917519 170139795 /nfs/dbraw/zinc/13/97/95/170139795.db2.gz VDPDYGQPMWMOBM-WCQYABFASA-N 1 3 249.358 0.843 20 0 BCADHO C[C@@H](Cn1cncn1)NCC(C)(C)C[NH+](C)C ZINC000657814978 411604063 /nfs/dbraw/zinc/60/40/63/411604063.db2.gz FQVOHXVMOXJSPR-NSHDSACASA-N 1 3 239.367 0.844 20 0 BCADHO C[C@@H](Cn1cncn1)NCCC[NH+](C)C ZINC000657816005 411604874 /nfs/dbraw/zinc/60/48/74/411604874.db2.gz HEHBBWMTNGSZFP-JTQLQIEISA-N 1 3 211.313 0.208 20 0 BCADHO CC(C)([NH3+])CNCc1nc2c(s1)CNCC2 ZINC000663492878 411670998 /nfs/dbraw/zinc/67/09/98/411670998.db2.gz DDRPUXLIQOMDNQ-UHFFFAOYSA-N 1 3 240.376 0.616 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766695 411879044 /nfs/dbraw/zinc/87/90/44/411879044.db2.gz HLSUSKYSHFYYSE-RWMBFGLXSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766695 411879046 /nfs/dbraw/zinc/87/90/46/411879046.db2.gz HLSUSKYSHFYYSE-RWMBFGLXSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662075139 411975600 /nfs/dbraw/zinc/97/56/00/411975600.db2.gz YQCYTOITBAPYMN-LBPRGKRZSA-N 1 3 242.363 0.410 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662075139 411975604 /nfs/dbraw/zinc/97/56/04/411975604.db2.gz YQCYTOITBAPYMN-LBPRGKRZSA-N 1 3 242.363 0.410 20 0 BCADHO Nc1ccc(CN2CCC(C[NH3+])CC2)cn1 ZINC000647482171 411976247 /nfs/dbraw/zinc/97/62/47/411976247.db2.gz AVDMTWWMLOATFV-UHFFFAOYSA-N 1 3 220.320 0.835 20 0 BCADHO Nc1cc(CN2CCC(C[NH3+])CC2)ccn1 ZINC000572880507 411976978 /nfs/dbraw/zinc/97/69/78/411976978.db2.gz AYHGHTJXJVVTEQ-UHFFFAOYSA-N 1 3 220.320 0.835 20 0 BCADHO C[C@@H](CO)C[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662153144 412009242 /nfs/dbraw/zinc/00/92/42/412009242.db2.gz OIGQVLOKSKXICT-DGCLKSJQSA-N 1 3 242.363 0.146 20 0 BCADHO C[C@H](CO)C[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662153142 412009642 /nfs/dbraw/zinc/00/96/42/412009642.db2.gz OIGQVLOKSKXICT-AAEUAGOBSA-N 1 3 242.363 0.146 20 0 BCADHO OCCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662157028 412011111 /nfs/dbraw/zinc/01/11/11/412011111.db2.gz NWVFVAVOGMHNPZ-ZDUSSCGKSA-N 1 3 242.363 0.290 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)N ZINC000664721544 412014776 /nfs/dbraw/zinc/01/47/76/412014776.db2.gz SCDFJOFSYXDNTJ-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)N ZINC000664721544 412014780 /nfs/dbraw/zinc/01/47/80/412014780.db2.gz SCDFJOFSYXDNTJ-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO Nc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccn1 ZINC000424299831 411943942 /nfs/dbraw/zinc/94/39/42/411943942.db2.gz VXZZUYYDZXCNGB-GHMZBOCLSA-N 1 3 220.320 1.023 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662245004 412040671 /nfs/dbraw/zinc/04/06/71/412040671.db2.gz KUDDVUYHBQVMOI-TUAOUCFPSA-N 1 3 227.352 0.034 20 0 BCADHO CCN1CC[C@H](N2CCC(C[NH2+]C)CC2)C1=O ZINC000662245573 412041180 /nfs/dbraw/zinc/04/11/80/412041180.db2.gz KZLOSASNRSUION-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](CN(C)CC(C)(C)C[NH3+])OC ZINC000662247773 412044238 /nfs/dbraw/zinc/04/42/38/412044238.db2.gz KKNNMWPPXIYLAS-JTQLQIEISA-N 1 3 218.341 0.565 20 0 BCADHO COC[C@H](C[N@H+](C)CC(C)(C)CN)OC ZINC000662247773 412044241 /nfs/dbraw/zinc/04/42/41/412044241.db2.gz KKNNMWPPXIYLAS-JTQLQIEISA-N 1 3 218.341 0.565 20 0 BCADHO COC[C@H](C[N@@H+](C)CC(C)(C)CN)OC ZINC000662247773 412044243 /nfs/dbraw/zinc/04/42/43/412044243.db2.gz KKNNMWPPXIYLAS-JTQLQIEISA-N 1 3 218.341 0.565 20 0 BCADHO CC(C)[C@@](C)(CN)[NH2+]C[C@H]1CCC2(CNC2)O1 ZINC000662247874 412044952 /nfs/dbraw/zinc/04/49/52/412044952.db2.gz NNGIJSGLGCVFLL-VXGBXAGGSA-N 1 3 241.379 0.470 20 0 BCADHO CCCC[N@H+](CCO)C[C@H]1CCC2(CNC2)O1 ZINC000662249932 412047492 /nfs/dbraw/zinc/04/74/92/412047492.db2.gz VNEOHXBERNPMSO-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO CCCC[N@@H+](CCO)C[C@H]1CCC2(CNC2)O1 ZINC000662249932 412047494 /nfs/dbraw/zinc/04/74/94/412047494.db2.gz VNEOHXBERNPMSO-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO COC[C@@H](CN[C@](C)(C[NH3+])C(C)C)OC ZINC000662248684 412047835 /nfs/dbraw/zinc/04/78/35/412047835.db2.gz AQURPOPJJQQPPK-GHMZBOCLSA-N 1 3 218.341 0.611 20 0 BCADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCCOCC1 ZINC000662253893 412048831 /nfs/dbraw/zinc/04/88/31/412048831.db2.gz YFCXICILJFQOHB-LLVKDONJSA-N 1 3 226.320 0.230 20 0 BCADHO C[C@@H](O)CC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254357 412049129 /nfs/dbraw/zinc/04/91/29/412049129.db2.gz HOCGWMVMCKKYEP-MNOVXSKESA-N 1 3 228.336 0.210 20 0 BCADHO C[C@@H](O)CC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254357 412049130 /nfs/dbraw/zinc/04/91/30/412049130.db2.gz HOCGWMVMCKKYEP-MNOVXSKESA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H](O)CC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254359 412049682 /nfs/dbraw/zinc/04/96/82/412049682.db2.gz HOCGWMVMCKKYEP-QWRGUYRKSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H](O)CC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254359 412049685 /nfs/dbraw/zinc/04/96/85/412049685.db2.gz HOCGWMVMCKKYEP-QWRGUYRKSA-N 1 3 228.336 0.210 20 0 BCADHO COC(C)(C)C[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257652 412051748 /nfs/dbraw/zinc/05/17/48/412051748.db2.gz FJMRWZHEFJEJKD-NSHDSACASA-N 1 3 242.363 0.864 20 0 BCADHO COC(C)(C)C[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662257652 412051750 /nfs/dbraw/zinc/05/17/50/412051750.db2.gz FJMRWZHEFJEJKD-NSHDSACASA-N 1 3 242.363 0.864 20 0 BCADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCOC1 ZINC000662258987 412053717 /nfs/dbraw/zinc/05/37/17/412053717.db2.gz ZSGYUXFAIQESNV-QWRGUYRKSA-N 1 3 226.320 0.228 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CNCCO3)C[C@@H]21 ZINC000662267518 412061022 /nfs/dbraw/zinc/06/10/22/412061022.db2.gz WFLOHYKUNCFMIR-MROQNXINSA-N 1 3 239.363 0.034 20 0 BCADHO CN1CCC[C@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662272134 412062119 /nfs/dbraw/zinc/06/21/19/412062119.db2.gz KMQNRGCOBHJNSB-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@@H]1CN(C[C@@H](COC)OC)CC[C@H]1[NH3+] ZINC000662273106 412066072 /nfs/dbraw/zinc/06/60/72/412066072.db2.gz SYSBDKGJUSAGNU-GRYCIOLGSA-N 1 3 230.352 0.707 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)N(C)C ZINC000353452801 171146715 /nfs/dbraw/zinc/14/67/15/171146715.db2.gz QZWHRXUPYZBDFL-VWYCJHECSA-N 1 3 227.352 0.441 20 0 BCADHO C[N@H+](CCCC1CCC1)C[C@@H](O)CN ZINC000662277779 412070053 /nfs/dbraw/zinc/07/00/53/412070053.db2.gz RWCUONHFQRXSHX-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCCC1CCC1)C[C@@H](O)CN ZINC000662277779 412070055 /nfs/dbraw/zinc/07/00/55/412070055.db2.gz RWCUONHFQRXSHX-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO CN(CCCC1CCC1)C[C@@H](O)C[NH3+] ZINC000662277779 412070056 /nfs/dbraw/zinc/07/00/56/412070056.db2.gz RWCUONHFQRXSHX-NSHDSACASA-N 1 3 200.326 0.818 20 0 BCADHO CC[C@H](CC(F)F)CN(C)C[C@@H](O)C[NH3+] ZINC000662278649 412071006 /nfs/dbraw/zinc/07/10/06/412071006.db2.gz ZYUKLVUNZWOBAI-BDAKNGLRSA-N 1 3 224.295 0.919 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000377789988 171225233 /nfs/dbraw/zinc/22/52/33/171225233.db2.gz VSQOTWYWAMQFDK-SDDRHHMPSA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N(C)C ZINC000373041640 171225432 /nfs/dbraw/zinc/22/54/32/171225432.db2.gz HFASKCNARXKUBC-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N(C)C ZINC000366282030 171226025 /nfs/dbraw/zinc/22/60/25/171226025.db2.gz FCOANYIFZPERPB-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)N(C)C ZINC000248587564 171226328 /nfs/dbraw/zinc/22/63/28/171226328.db2.gz GMTSEJAMHGJFDY-NNYUYHANSA-N 1 3 239.363 0.522 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N(C)C ZINC000366282033 171226356 /nfs/dbraw/zinc/22/63/56/171226356.db2.gz FCOANYIFZPERPB-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662283294 412074509 /nfs/dbraw/zinc/07/45/09/412074509.db2.gz HCJVMMTZUNCUHU-WOPDTQHZSA-N 1 3 239.363 0.319 20 0 BCADHO CC[C@H](C)N(CCO)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336732893 171314655 /nfs/dbraw/zinc/31/46/55/171314655.db2.gz ZWCWPPDZOOWMKP-WCQYABFASA-N 1 3 244.379 0.534 20 0 BCADHO CC[C@H](C)N(CCO)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336732893 171314657 /nfs/dbraw/zinc/31/46/57/171314657.db2.gz ZWCWPPDZOOWMKP-WCQYABFASA-N 1 3 244.379 0.534 20 0 BCADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H]1CNCCO1)C2 ZINC000662286956 412080437 /nfs/dbraw/zinc/08/04/37/412080437.db2.gz UYJIAKUCZDELFN-AVGNSLFASA-N 1 3 239.363 0.036 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526659 171371256 /nfs/dbraw/zinc/37/12/56/171371256.db2.gz LOCPKPORQOJDHK-CMPLNLGQSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037467309 171371425 /nfs/dbraw/zinc/37/14/25/171371425.db2.gz NMOJBYMXWNIQEV-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484905 171371457 /nfs/dbraw/zinc/37/14/57/171371457.db2.gz SFONRDQYIAQCBS-GARJFASQSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484905 171371458 /nfs/dbraw/zinc/37/14/58/171371458.db2.gz SFONRDQYIAQCBS-GARJFASQSA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368210737 171371539 /nfs/dbraw/zinc/37/15/39/171371539.db2.gz DFXIQIIYFADJNW-GARJFASQSA-N 1 3 239.363 0.618 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309404704 171394080 /nfs/dbraw/zinc/39/40/80/171394080.db2.gz HWKRLHGCGVHGSA-XKNYDFJKSA-N 1 3 213.325 0.308 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392899 171394095 /nfs/dbraw/zinc/39/40/95/171394095.db2.gz TWWFBWXKECPGTA-SRVKXCTJSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366498282 171394422 /nfs/dbraw/zinc/39/44/22/171394422.db2.gz ROHDMNIEJQPXAV-BJDJZHNGSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122733724 171395004 /nfs/dbraw/zinc/39/50/04/171395004.db2.gz SRNWKKZHIHTUGT-QCNOEVLYSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122733724 171395005 /nfs/dbraw/zinc/39/50/05/171395005.db2.gz SRNWKKZHIHTUGT-QCNOEVLYSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000247124316 171395136 /nfs/dbraw/zinc/39/51/36/171395136.db2.gz MYZPJUKICBEDCP-AEJSXWLSSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643907 171395871 /nfs/dbraw/zinc/39/58/71/171395871.db2.gz BPQCYDRJPUNHJE-XKNYDFJKSA-N 1 3 231.315 0.176 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000122733900 171397099 /nfs/dbraw/zinc/39/70/99/171397099.db2.gz SRNWKKZHIHTUGT-USZNOCQGSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122733900 171397101 /nfs/dbraw/zinc/39/71/01/171397101.db2.gz SRNWKKZHIHTUGT-USZNOCQGSA-N 1 3 241.379 0.959 20 0 BCADHO [NH3+]C1CCN(C(=O)C2(NC3CC3)CCC2)CC1 ZINC000662386996 412140228 /nfs/dbraw/zinc/14/02/28/412140228.db2.gz CZZLSICHFJKIAE-UHFFFAOYSA-N 1 3 237.347 0.611 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000662387169 412140443 /nfs/dbraw/zinc/14/04/43/412140443.db2.gz ITWWLEWYZVRGFT-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO COCC1(N(C)CCN2CC[NH2+]CC2)CC1 ZINC000662299174 412087239 /nfs/dbraw/zinc/08/72/39/412087239.db2.gz URUGQAVJXRMDPH-UHFFFAOYSA-N 1 3 227.352 0.002 20 0 BCADHO N[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323888 412102567 /nfs/dbraw/zinc/10/25/67/412102567.db2.gz TUJJKRWZJMAKGO-HBNTYKKESA-N 1 3 215.316 0.357 20 0 BCADHO O=C(NC1CC[NH2+]CC1)C1(NC2CC2)CCC1 ZINC000662390581 412142043 /nfs/dbraw/zinc/14/20/43/412142043.db2.gz NHGQQCDXRXFGBY-UHFFFAOYSA-N 1 3 237.347 0.529 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCCCCC1 ZINC000662379567 412130876 /nfs/dbraw/zinc/13/08/76/412130876.db2.gz DFOVHMGVTYXGSK-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNc1cnccn1 ZINC000361981272 412131891 /nfs/dbraw/zinc/13/18/91/412131891.db2.gz NSVGBIZGKKKGFF-NEPJUHHUSA-N 1 3 249.362 0.818 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNc1cnccn1 ZINC000361981272 412131895 /nfs/dbraw/zinc/13/18/95/412131895.db2.gz NSVGBIZGKKKGFF-NEPJUHHUSA-N 1 3 249.362 0.818 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNc1cnccn1 ZINC000361981281 412132581 /nfs/dbraw/zinc/13/25/81/412132581.db2.gz NSVGBIZGKKKGFF-VXGBXAGGSA-N 1 3 249.362 0.818 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNc1cnccn1 ZINC000361981281 412132584 /nfs/dbraw/zinc/13/25/84/412132584.db2.gz NSVGBIZGKKKGFF-VXGBXAGGSA-N 1 3 249.362 0.818 20 0 BCADHO COC[C@H](N[C@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236317 412176153 /nfs/dbraw/zinc/17/61/53/412176153.db2.gz KFUDDIMIISHEPU-MFKMUULPSA-N 1 3 242.363 0.626 20 0 BCADHO COC[C@H]([NH2+][C@H](C)C1CNC1)C1CCOCC1 ZINC000665236317 412176156 /nfs/dbraw/zinc/17/61/56/412176156.db2.gz KFUDDIMIISHEPU-MFKMUULPSA-N 1 3 242.363 0.626 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000662450910 412179425 /nfs/dbraw/zinc/17/94/25/412179425.db2.gz FLZWTPUXXBEIAS-NEPJUHHUSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665244058 412187141 /nfs/dbraw/zinc/18/71/41/412187141.db2.gz FSXANZXUBQVJPR-XWLWVQCSSA-N 1 3 216.325 0.363 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000662476188 412188238 /nfs/dbraw/zinc/18/82/38/412188238.db2.gz RILFEGRFEDBECX-VWYCJHECSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN(C)CCCOC ZINC000662477286 412189452 /nfs/dbraw/zinc/18/94/52/412189452.db2.gz XPJXVBUGVWBDNI-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000662486915 412190675 /nfs/dbraw/zinc/19/06/75/412190675.db2.gz YEJUGKXCNLILLO-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000662497428 412195374 /nfs/dbraw/zinc/19/53/74/412195374.db2.gz IESDRMMPOMUNOJ-ATZCPNFKSA-N 1 3 225.336 0.193 20 0 BCADHO [NH3+]C1(CNC(=O)c2cccc3c2CNC3)CCC1 ZINC000662516083 412201430 /nfs/dbraw/zinc/20/14/30/412201430.db2.gz ZRGHYAFJWMYDJY-UHFFFAOYSA-N 1 3 245.326 0.901 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000662515557 412201892 /nfs/dbraw/zinc/20/18/92/412201892.db2.gz WMIRVVQPLDWRBK-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000662520268 412202551 /nfs/dbraw/zinc/20/25/51/412202551.db2.gz HAUYOVMXBLLNNQ-QWRGUYRKSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000662520267 412203038 /nfs/dbraw/zinc/20/30/38/412203038.db2.gz HAUYOVMXBLLNNQ-MNOVXSKESA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000662539665 412208589 /nfs/dbraw/zinc/20/85/89/412208589.db2.gz HBKWPWNDDNTXHU-GUBZILKMSA-N 1 3 225.336 0.336 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCNc1ccncc1 ZINC000662395137 412144663 /nfs/dbraw/zinc/14/46/63/412144663.db2.gz QODXCQZVJCHNGF-LLVKDONJSA-N 1 3 236.319 0.030 20 0 BCADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCCNCC1 ZINC000662396327 412145433 /nfs/dbraw/zinc/14/54/33/412145433.db2.gz USAYEYRLPJYHRX-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000662397467 412147317 /nfs/dbraw/zinc/14/73/17/412147317.db2.gz FAOUMXDWLWXICG-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000662405607 412151449 /nfs/dbraw/zinc/15/14/49/412151449.db2.gz ZPMAILWHBRLGGS-KXUCPTDWSA-N 1 3 213.325 0.099 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277654 412215796 /nfs/dbraw/zinc/21/57/96/412215796.db2.gz HNDOBKNJDGTHRN-VOBJUBJWSA-N 1 3 209.337 0.278 20 0 BCADHO C[NH2+]CCNC(=O)c1cccc2c1CCNC2 ZINC000662408883 412154491 /nfs/dbraw/zinc/15/44/91/412154491.db2.gz CFDOYCNTXDSNEM-UHFFFAOYSA-N 1 3 233.315 0.282 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000662418839 412159500 /nfs/dbraw/zinc/15/95/00/412159500.db2.gz CFIWCRUVAZDXSW-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000662421529 412161631 /nfs/dbraw/zinc/16/16/31/412161631.db2.gz FGTMOLGAUNKKHC-AEJSXWLSSA-N 1 3 213.325 0.228 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000662420284 412161864 /nfs/dbraw/zinc/16/18/64/412161864.db2.gz SEXBVDATNWFZEW-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO [NH3+]C[C@@H](NC(=O)c1cccc2c1CNC2)C1CC1 ZINC000662422650 412162330 /nfs/dbraw/zinc/16/23/30/412162330.db2.gz YIRYFKOIJWSWRB-CYBMUJFWSA-N 1 3 245.326 0.757 20 0 BCADHO CC1(C)CNCCN1C(=O)CC1([NH3+])CC1 ZINC000662423348 412162387 /nfs/dbraw/zinc/16/23/87/412162387.db2.gz GUAJPDRPXXOTBE-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CC(C)NCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000662427339 412165236 /nfs/dbraw/zinc/16/52/36/412165236.db2.gz GJCWOQFKXGEVIN-NSHDSACASA-N 1 3 229.368 0.816 20 0 BCADHO COC[C@H](CC[NH2+][C@@H](C)C1CNC1)OC ZINC000665234459 412173430 /nfs/dbraw/zinc/17/34/30/412173430.db2.gz DCFOJQUUZKBGQH-ONGXEEELSA-N 1 3 216.325 0.235 20 0 BCADHO COC[C@H](CCN[C@@H](C)C1C[NH2+]C1)OC ZINC000665234459 412173433 /nfs/dbraw/zinc/17/34/33/412173433.db2.gz DCFOJQUUZKBGQH-ONGXEEELSA-N 1 3 216.325 0.235 20 0 BCADHO COC[C@H](CC[NH2+][C@H]1CCC[C@H](N)C1)OC ZINC000665235641 412173802 /nfs/dbraw/zinc/17/38/02/412173802.db2.gz XQODWRJMCFUYPU-SRVKXCTJSA-N 1 3 230.352 0.897 20 0 BCADHO CN1CCC(C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662683864 412269223 /nfs/dbraw/zinc/26/92/23/412269223.db2.gz WAEHBYXMKHBLIU-UHFFFAOYSA-N 1 3 237.347 0.278 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000662703509 412276584 /nfs/dbraw/zinc/27/65/84/412276584.db2.gz LBJZXNIAHCRHFX-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662713125 412280176 /nfs/dbraw/zinc/28/01/76/412280176.db2.gz UWSHWPSCPGOREM-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723076 412283473 /nfs/dbraw/zinc/28/34/73/412283473.db2.gz DOHHYLJFDKAAFH-YZRBJQDESA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662558464 412217839 /nfs/dbraw/zinc/21/78/39/412217839.db2.gz FYXJIALGJPVKPF-MRVPVSSYSA-N 1 3 219.288 0.367 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cccc2c1CNC2 ZINC000662563357 412220103 /nfs/dbraw/zinc/22/01/03/412220103.db2.gz FQSBUHYGTNOQGJ-ZANVPECISA-N 1 3 245.326 0.852 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000662570006 412224109 /nfs/dbraw/zinc/22/41/09/412224109.db2.gz FFWFRCUZXWLUDK-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592391 412233451 /nfs/dbraw/zinc/23/34/51/412233451.db2.gz FUGYABKEJUPCGC-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662592385 412233817 /nfs/dbraw/zinc/23/38/17/412233817.db2.gz FUGYABKEJUPCGC-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](N[C@H](C)C[NH2+]C)[C@@H]1CCOC1 ZINC000665295623 412243479 /nfs/dbraw/zinc/24/34/79/412243479.db2.gz GRKPHDPTRUQROY-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662619171 412244404 /nfs/dbraw/zinc/24/44/04/412244404.db2.gz JEFUGNBSWIVMGN-UWVGGRQHSA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619171 412244406 /nfs/dbraw/zinc/24/44/06/412244406.db2.gz JEFUGNBSWIVMGN-UWVGGRQHSA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619171 412244407 /nfs/dbraw/zinc/24/44/07/412244407.db2.gz JEFUGNBSWIVMGN-UWVGGRQHSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)S(C)(=O)=O ZINC000665298832 412247845 /nfs/dbraw/zinc/24/78/45/412247845.db2.gz ALLXJMWPVRBGPO-BBBLOLIVSA-N 1 3 234.365 0.137 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629668 412248488 /nfs/dbraw/zinc/24/84/88/412248488.db2.gz AXJPOCPVGKBLLE-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000662829000 412313875 /nfs/dbraw/zinc/31/38/75/412313875.db2.gz KEVNUMIGZBOTCC-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+]CCCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662838155 412316457 /nfs/dbraw/zinc/31/64/57/412316457.db2.gz MCIPNLXRLHLLKV-VXGBXAGGSA-N 1 3 239.363 0.858 20 0 BCADHO [NH3+]CCCC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662838152 412316650 /nfs/dbraw/zinc/31/66/50/412316650.db2.gz MCIPNLXRLHLLKV-RYUDHWBXSA-N 1 3 239.363 0.858 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H]1NCCCC1(C)C ZINC000662845474 412319464 /nfs/dbraw/zinc/31/94/64/412319464.db2.gz SGYUALLYVAORIT-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO NCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662844826 412319814 /nfs/dbraw/zinc/31/98/14/412319814.db2.gz BHUYFAWSWPWGCN-NSHDSACASA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H](CCNC(=O)[C@@H]1CCCCN1)[NH+](C)C ZINC000662860373 412328623 /nfs/dbraw/zinc/32/86/23/412328623.db2.gz RIZXYWCUSAYDCJ-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863345 412329668 /nfs/dbraw/zinc/32/96/68/412329668.db2.gz OVVGLMBMCPPTQU-QWRGUYRKSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876548 412332972 /nfs/dbraw/zinc/33/29/72/412332972.db2.gz ZWZASRFTZYNIQN-JJOYANBFSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H]1CCCN(C(=O)CN)[C@@H]1CCC[NH3+] ZINC000662890715 412337580 /nfs/dbraw/zinc/33/75/80/412337580.db2.gz NQSLOQMEZNEJLA-NXEZZACHSA-N 1 3 213.325 0.311 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000662911472 412343978 /nfs/dbraw/zinc/34/39/78/412343978.db2.gz UEECCSUXHLTYNJ-KXNHARMFSA-N 1 3 237.347 0.337 20 0 BCADHO N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CC[C@H]1F ZINC000662943911 412350738 /nfs/dbraw/zinc/35/07/38/412350738.db2.gz DRXKLXLSENIFIW-BBBLOLIVSA-N 1 3 229.299 0.026 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)C[NH2+]C ZINC000662953952 412352443 /nfs/dbraw/zinc/35/24/43/412352443.db2.gz RRGVELSHVZRWFY-WPRPVWTQSA-N 1 3 201.314 0.228 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000662954781 412354001 /nfs/dbraw/zinc/35/40/01/412354001.db2.gz ZRPPDHQHLQXMQH-HTQZYQBOSA-N 1 3 201.314 0.084 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C ZINC000662965729 412357969 /nfs/dbraw/zinc/35/79/69/412357969.db2.gz MRJBZXPBZJYLLZ-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662968657 412359446 /nfs/dbraw/zinc/35/94/46/412359446.db2.gz FYDUTRBNVXPBKB-JTQLQIEISA-N 1 3 247.342 0.670 20 0 BCADHO C[C@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973124 412361665 /nfs/dbraw/zinc/36/16/65/412361665.db2.gz WTVXKWQORTTYJU-JTQLQIEISA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000662746804 412289817 /nfs/dbraw/zinc/28/98/17/412289817.db2.gz RSCMTRZIJKAIEY-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CC2)CCN1C ZINC000662746227 412290120 /nfs/dbraw/zinc/29/01/20/412290120.db2.gz SBTFOVBRLNDWKA-GHMZBOCLSA-N 1 3 239.363 0.809 20 0 BCADHO N[C@@H]1CN(C(=O)CC[C@@H]2CC[NH2+]C2)CC[C@H]1F ZINC000662748359 412291212 /nfs/dbraw/zinc/29/12/12/412291212.db2.gz RFRBWZJFWNLWMN-GMTAPVOTSA-N 1 3 243.326 0.274 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662756919 412292798 /nfs/dbraw/zinc/29/27/98/412292798.db2.gz JHMXWYLCYDRLOB-SNVBAGLBSA-N 1 3 247.342 0.657 20 0 BCADHO O=C(NCC1=CC[NH2+]CC1)C1(NC2CC2)CCC1 ZINC000662769251 412297282 /nfs/dbraw/zinc/29/72/82/412297282.db2.gz IKZSVRXHCUZYII-UHFFFAOYSA-N 1 3 249.358 0.697 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662774802 412297910 /nfs/dbraw/zinc/29/79/10/412297910.db2.gz RTRYPIGDBBDSJG-MRVPVSSYSA-N 1 3 211.309 0.125 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNc1cnccn1 ZINC000422892011 412300882 /nfs/dbraw/zinc/30/08/82/412300882.db2.gz XITKYZHJTRQMKC-MNOVXSKESA-N 1 3 235.335 0.606 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000422892011 412300884 /nfs/dbraw/zinc/30/08/84/412300884.db2.gz XITKYZHJTRQMKC-MNOVXSKESA-N 1 3 235.335 0.606 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662784689 412301375 /nfs/dbraw/zinc/30/13/75/412301375.db2.gz VRJGEFNXOJOPPN-RKDXNWHRSA-N 1 3 225.336 0.513 20 0 BCADHO CCCN(C)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011298 412370309 /nfs/dbraw/zinc/37/03/09/412370309.db2.gz OUNGGUOSWCVGEF-NSHDSACASA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@]1(NC(=O)c2cccc3c2CNC3)CC[NH2+]C1 ZINC000663013960 412371214 /nfs/dbraw/zinc/37/12/14/412371214.db2.gz HWEXVZIWFNNHQN-CQSZACIVSA-N 1 3 245.326 0.772 20 0 BCADHO CN(C)C(=O)CCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000304633460 172358975 /nfs/dbraw/zinc/35/89/75/172358975.db2.gz VVHBGAHWODAVBM-LBPRGKRZSA-N 1 3 225.336 0.150 20 0 BCADHO CN(C)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037751803 172359945 /nfs/dbraw/zinc/35/99/45/172359945.db2.gz QSXHPBUHQFYNSZ-YOGCLGLASA-N 1 3 239.363 0.680 20 0 BCADHO CN(C)C(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000037751803 172359948 /nfs/dbraw/zinc/35/99/48/172359948.db2.gz QSXHPBUHQFYNSZ-YOGCLGLASA-N 1 3 239.363 0.680 20 0 BCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000309435400 172363436 /nfs/dbraw/zinc/36/34/36/172363436.db2.gz KFCLSFFZXIKHPO-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)C1(N)CCCC1 ZINC000040807264 172393495 /nfs/dbraw/zinc/39/34/95/172393495.db2.gz RVAWGMWFWBNWPL-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H](N)CC(F)F ZINC000309205966 172395566 /nfs/dbraw/zinc/39/55/66/172395566.db2.gz PXPAJWKOFYYPIW-ZETCQYMHSA-N 1 3 237.294 0.425 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@H](N)CC(F)F)CC1 ZINC000310363679 172986016 /nfs/dbraw/zinc/98/60/16/172986016.db2.gz LGMPKWCCEPWJQM-SECBINFHSA-N 1 3 249.305 0.427 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOCC2)CC1 ZINC000356676884 172999069 /nfs/dbraw/zinc/99/90/69/172999069.db2.gz DCAPUJSECTVENH-GFCCVEGCSA-N 1 3 242.363 0.602 20 0 BCADHO CN1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000134474968 173012542 /nfs/dbraw/zinc/01/25/42/173012542.db2.gz NRYGGEVPJODWTJ-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](CO)C1 ZINC000305621775 173027409 /nfs/dbraw/zinc/02/74/09/173027409.db2.gz IGSPECDIAYJOTE-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](CO)C1 ZINC000305621775 173027411 /nfs/dbraw/zinc/02/74/11/173027411.db2.gz IGSPECDIAYJOTE-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442809 173027883 /nfs/dbraw/zinc/02/78/83/173027883.db2.gz SBDTZXGZHJUFBS-NDBYEHHHSA-N 1 3 224.348 0.641 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442809 173027884 /nfs/dbraw/zinc/02/78/84/173027884.db2.gz SBDTZXGZHJUFBS-NDBYEHHHSA-N 1 3 224.348 0.641 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000333755443 173029957 /nfs/dbraw/zinc/02/99/57/173029957.db2.gz AQDFJSTWGBRMMW-GHMZBOCLSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H]1CC[N@H+](CCO)C1CC1 ZINC000305115250 173049457 /nfs/dbraw/zinc/04/94/57/173049457.db2.gz JWHIGELVCQWXPE-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+](CCO)C1CC1 ZINC000305115250 173049459 /nfs/dbraw/zinc/04/94/59/173049459.db2.gz JWHIGELVCQWXPE-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](CO)C1 ZINC000305621776 173053991 /nfs/dbraw/zinc/05/39/91/173053991.db2.gz IGSPECDIAYJOTE-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](CO)C1 ZINC000305621776 173053994 /nfs/dbraw/zinc/05/39/94/173053994.db2.gz IGSPECDIAYJOTE-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](CC(N)=O)C1 ZINC000377505926 173054557 /nfs/dbraw/zinc/05/45/57/173054557.db2.gz QWOYMGNZLHAJIA-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](CC(N)=O)C1 ZINC000377505926 173054559 /nfs/dbraw/zinc/05/45/59/173054559.db2.gz QWOYMGNZLHAJIA-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO CN1CCC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082284252 173057306 /nfs/dbraw/zinc/05/73/06/173057306.db2.gz AAMSQRCWCWTIRO-ZDUSSCGKSA-N 1 3 247.342 0.969 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336358744 173111010 /nfs/dbraw/zinc/11/10/10/173111010.db2.gz JIBZJBNGOMPNRF-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336358744 173111013 /nfs/dbraw/zinc/11/10/13/173111013.db2.gz JIBZJBNGOMPNRF-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000336450901 173140014 /nfs/dbraw/zinc/14/00/14/173140014.db2.gz IHFLTLGCOSEQEO-CYBMUJFWSA-N 1 3 239.363 0.492 20 0 BCADHO CN(C)C(=O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000336450901 173140017 /nfs/dbraw/zinc/14/00/17/173140017.db2.gz IHFLTLGCOSEQEO-CYBMUJFWSA-N 1 3 239.363 0.492 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)C2(N)CCCCC2)C1 ZINC000037647104 173145389 /nfs/dbraw/zinc/14/53/89/173145389.db2.gz ICLFUDYCUXWCEB-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)C2(N)CCCCC2)C1 ZINC000037647104 173145391 /nfs/dbraw/zinc/14/53/91/173145391.db2.gz ICLFUDYCUXWCEB-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CNC(=O)CCN(C)C1CC[NH+](C(C)C)CC1 ZINC000337697380 173247900 /nfs/dbraw/zinc/24/79/00/173247900.db2.gz YYOQKCOCDMRZSS-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CNC(=O)[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000226438241 173297856 /nfs/dbraw/zinc/29/78/56/173297856.db2.gz JECWZALUGMHDSD-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000226438241 173297857 /nfs/dbraw/zinc/29/78/57/173297857.db2.gz JECWZALUGMHDSD-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000226438241 173297858 /nfs/dbraw/zinc/29/78/58/173297858.db2.gz JECWZALUGMHDSD-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000250397375 173299141 /nfs/dbraw/zinc/29/91/41/173299141.db2.gz RIORFFPCVVBEKT-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371263363 173326805 /nfs/dbraw/zinc/32/68/05/173326805.db2.gz XWAGAMMZCPNGCH-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371263363 173326807 /nfs/dbraw/zinc/32/68/07/173326807.db2.gz XWAGAMMZCPNGCH-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237206438 173327558 /nfs/dbraw/zinc/32/75/58/173327558.db2.gz BKFVCLOBFPRCME-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO CNCC(=O)NCCC[NH+]1CCCCCC1 ZINC000237221572 173328557 /nfs/dbraw/zinc/32/85/57/173328557.db2.gz DZPUTEXZJICURO-UHFFFAOYSA-N 1 3 227.352 0.588 20 0 BCADHO CNCC(=O)NCC[NH+]1CCCCCC1 ZINC000040768277 173328610 /nfs/dbraw/zinc/32/86/10/173328610.db2.gz SZNHHEMABNYSKN-UHFFFAOYSA-N 1 3 213.325 0.198 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](C)N1CCCCC1 ZINC000038029501 173329228 /nfs/dbraw/zinc/32/92/28/173329228.db2.gz AICSBSAIFQHFQK-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670576 173330281 /nfs/dbraw/zinc/33/02/81/173330281.db2.gz HEHFASOARAUEDW-WCQYABFASA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CC(=O)NCc1ccccc1CN(C)C ZINC000040855267 173330590 /nfs/dbraw/zinc/33/05/90/173330590.db2.gz LZFNLSKVIWEJQB-UHFFFAOYSA-N 1 3 235.331 0.584 20 0 BCADHO C[NH2+]CC1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000063166197 173338710 /nfs/dbraw/zinc/33/87/10/173338710.db2.gz FKFICAUYJMWMNN-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCC(=O)N1CCN(C2CCCC2)CC1 ZINC000052062653 173339478 /nfs/dbraw/zinc/33/94/78/173339478.db2.gz MPLSXJZYKDYUSC-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH2+]CCC(=O)N(CCN(C)C)CC(C)C ZINC000043605394 173339558 /nfs/dbraw/zinc/33/95/58/173339558.db2.gz WYTCOTVAQAIGCD-UHFFFAOYSA-N 1 3 229.368 0.642 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000357252279 173339612 /nfs/dbraw/zinc/33/96/12/173339612.db2.gz WBPCZIIDKVMUPN-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H](C)N1CCCCC1 ZINC000038029525 173344608 /nfs/dbraw/zinc/34/46/08/173344608.db2.gz PTIHRXJWPXECOF-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000237217397 173345505 /nfs/dbraw/zinc/34/55/05/173345505.db2.gz IQJZOSRFTMQQPE-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)Cc1ccccc1 ZINC000124622577 173346494 /nfs/dbraw/zinc/34/64/94/173346494.db2.gz LTWJYNJDIVQZIA-CYBMUJFWSA-N 1 3 249.358 0.624 20 0 BCADHO C[NH2+]CCCN1CCCC[C@@H]1CC(N)=O ZINC000309630737 173346806 /nfs/dbraw/zinc/34/68/06/173346806.db2.gz KHGOXBUTAAELQS-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000309630737 173346808 /nfs/dbraw/zinc/34/68/08/173346808.db2.gz KHGOXBUTAAELQS-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CNCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000309630737 173346809 /nfs/dbraw/zinc/34/68/09/173346809.db2.gz KHGOXBUTAAELQS-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CC[C@@H]2CCOC2)C1 ZINC000234407060 173370641 /nfs/dbraw/zinc/37/06/41/173370641.db2.gz CCXWOSVGSYBAKA-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000234407060 173370642 /nfs/dbraw/zinc/37/06/42/173370642.db2.gz CCXWOSVGSYBAKA-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000234407060 173370643 /nfs/dbraw/zinc/37/06/43/173370643.db2.gz CCXWOSVGSYBAKA-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000132958464 173374915 /nfs/dbraw/zinc/37/49/15/173374915.db2.gz ZRSYQZAVMJVZQR-HBNTYKKESA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000367370352 173375160 /nfs/dbraw/zinc/37/51/60/173375160.db2.gz CPJWSWXSDNSPDC-VIFPVBQESA-N 1 3 248.330 0.521 20 0 BCADHO C[NH2+]C[C@H]1CCCN([C@H](C)COC)C1 ZINC000053199457 173379212 /nfs/dbraw/zinc/37/92/12/173379212.db2.gz PHXWYSLJSOAZLF-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000237212327 173379393 /nfs/dbraw/zinc/37/93/93/173379393.db2.gz ISAINIKVSFPRQF-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO COCC(C)(C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000336705892 174072861 /nfs/dbraw/zinc/07/28/61/174072861.db2.gz LHNRYAZMMAIVTM-GFCCVEGCSA-N 1 3 244.379 0.705 20 0 BCADHO COCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309037636 174179755 /nfs/dbraw/zinc/17/97/55/174179755.db2.gz JDPCAFKVLZJVOZ-TXEJJXNPSA-N 1 3 212.337 0.954 20 0 BCADHO COCCCN(CCC[NH3+])CCOC ZINC000042408686 174222236 /nfs/dbraw/zinc/22/22/36/174222236.db2.gz GAYSWHRSWIEOJM-UHFFFAOYSA-N 1 3 204.314 0.320 20 0 BCADHO COCCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228476305 174354495 /nfs/dbraw/zinc/35/44/95/174354495.db2.gz DFDJBXITIMRTCS-YNEHKIRRSA-N 1 3 242.363 0.709 20 0 BCADHO COCC[C@@H](CO)NC1CC[NH+](C(C)C)CC1 ZINC000302339167 174389441 /nfs/dbraw/zinc/38/94/41/174389441.db2.gz UPTGYLUTVYQTHG-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)C[NH3+])N(C)C ZINC000045108015 175720981 /nfs/dbraw/zinc/72/09/81/175720981.db2.gz PROBTVHUIHZLKD-QMMMGPOBSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)CN ZINC000077302140 176019802 /nfs/dbraw/zinc/01/98/02/176019802.db2.gz SUZKZFIPYJKDMC-CMPLNLGQSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)CN ZINC000077302140 176019804 /nfs/dbraw/zinc/01/98/04/176019804.db2.gz SUZKZFIPYJKDMC-CMPLNLGQSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)CC[NH3+] ZINC000237677702 176072357 /nfs/dbraw/zinc/07/23/57/176072357.db2.gz BRTFEPKMAKJZLQ-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(N)CC1 ZINC000237543870 176099034 /nfs/dbraw/zinc/09/90/34/176099034.db2.gz NBWWPAZRYQPODY-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(N)CC1 ZINC000237543870 176099036 /nfs/dbraw/zinc/09/90/36/176099036.db2.gz NBWWPAZRYQPODY-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1(N)CC1 ZINC000353575898 176115199 /nfs/dbraw/zinc/11/51/99/176115199.db2.gz GAUHKCQCDGERLP-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN2CCCC2)C1 ZINC000126124474 176186150 /nfs/dbraw/zinc/18/61/50/176186150.db2.gz WTXGSKGCDXAJCA-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000367509400 176187058 /nfs/dbraw/zinc/18/70/58/176187058.db2.gz ZCCZLRZWMCRNER-MWGHHZFTSA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)CN1CCC[NH2+]C1CC1 ZINC000042438672 176196855 /nfs/dbraw/zinc/19/68/55/176196855.db2.gz IIOYNAWEUYFHOI-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCNC1CC1 ZINC000042438672 176196857 /nfs/dbraw/zinc/19/68/57/176196857.db2.gz IIOYNAWEUYFHOI-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCNC1CC1 ZINC000042438672 176196859 /nfs/dbraw/zinc/19/68/59/176196859.db2.gz IIOYNAWEUYFHOI-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@H](C)CN1 ZINC000336519601 176243396 /nfs/dbraw/zinc/24/33/96/176243396.db2.gz LUUUHMISXXZGEF-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000356343310 176247874 /nfs/dbraw/zinc/24/78/74/176247874.db2.gz JYIKJYCETVDRBY-GMTAPVOTSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(C)C1 ZINC000336757933 176269598 /nfs/dbraw/zinc/26/95/98/176269598.db2.gz ZIEMXAUMDDANJW-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(C)C1 ZINC000336757933 176269600 /nfs/dbraw/zinc/26/96/00/176269600.db2.gz ZIEMXAUMDDANJW-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)N(C)C ZINC000362498296 176275845 /nfs/dbraw/zinc/27/58/45/176275845.db2.gz LLIMYRNIYVSNCS-OUAUKWLOSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)N(C)C ZINC000362498296 176275846 /nfs/dbraw/zinc/27/58/46/176275846.db2.gz LLIMYRNIYVSNCS-OUAUKWLOSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)N(C)C ZINC000362498294 176276395 /nfs/dbraw/zinc/27/63/95/176276395.db2.gz LLIMYRNIYVSNCS-GMTAPVOTSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)N(C)C ZINC000362498294 176276396 /nfs/dbraw/zinc/27/63/96/176276396.db2.gz LLIMYRNIYVSNCS-GMTAPVOTSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000246572433 176323593 /nfs/dbraw/zinc/32/35/93/176323593.db2.gz SSHLECNLALBECW-WOPDTQHZSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]1COCC[C@H]1[NH2+]CCOCCN(C)C ZINC000300859992 176344509 /nfs/dbraw/zinc/34/45/09/176344509.db2.gz NKAYJSVEMJZNGO-VXGBXAGGSA-N 1 3 230.352 0.579 20 0 BCADHO C[C@@H]1CSC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000309457667 176355608 /nfs/dbraw/zinc/35/56/08/176355608.db2.gz NZNWMGZEQSUTRU-GRYCIOLGSA-N 1 3 244.404 0.784 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CN1C1CC1 ZINC000237506744 176372414 /nfs/dbraw/zinc/37/24/14/176372414.db2.gz DHBLBGZYCREHLC-RKDXNWHRSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)CCN1C ZINC000358259721 176376144 /nfs/dbraw/zinc/37/61/44/176376144.db2.gz USEWWZSHMVCCSK-AGIUHOORSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1(N)CC1 ZINC000237508688 177075533 /nfs/dbraw/zinc/07/55/33/177075533.db2.gz UQVTYVMGWLAOJI-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCNC(=O)C1(N)CC1 ZINC000237508688 177075534 /nfs/dbraw/zinc/07/55/34/177075534.db2.gz UQVTYVMGWLAOJI-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H](N)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000237574872 177097409 /nfs/dbraw/zinc/09/74/09/177097409.db2.gz LKXQVZZCFGWZCB-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000237574872 177097410 /nfs/dbraw/zinc/09/74/10/177097410.db2.gz LKXQVZZCFGWZCB-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1(N)CC1 ZINC000353575900 177131111 /nfs/dbraw/zinc/13/11/11/177131111.db2.gz GAUHKCQCDGERLP-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1CCC[C@](CNC(=O)CN)([NH+](C)C)C1 ZINC000040670502 177143768 /nfs/dbraw/zinc/14/37/68/177143768.db2.gz NNFNRKIXHDZCIX-JQWIXIFHSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)NCCN2CCCC2)C1 ZINC000126124722 177175096 /nfs/dbraw/zinc/17/50/96/177175096.db2.gz WTXGSKGCDXAJCA-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCCC1 ZINC000186836677 177175240 /nfs/dbraw/zinc/17/52/40/177175240.db2.gz RRSNQJGBDHOSEU-VHSXEESVSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000237443439 177234330 /nfs/dbraw/zinc/23/43/30/177234330.db2.gz AHLIZCMHGWHKRJ-IVZWLZJFSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000237443439 177234331 /nfs/dbraw/zinc/23/43/31/177234331.db2.gz AHLIZCMHGWHKRJ-IVZWLZJFSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCN(C)C ZINC000362877202 177237509 /nfs/dbraw/zinc/23/75/09/177237509.db2.gz RZJVMQKHTCSWBW-WDEREUQCSA-N 1 3 227.352 0.204 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCN(C)C ZINC000362877202 177237510 /nfs/dbraw/zinc/23/75/10/177237510.db2.gz RZJVMQKHTCSWBW-WDEREUQCSA-N 1 3 227.352 0.204 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(C)C1CC1 ZINC000362615719 177237875 /nfs/dbraw/zinc/23/78/75/177237875.db2.gz JDIGBEVRYXCMIW-CMPLNLGQSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(C)C1CC1 ZINC000362615719 177237876 /nfs/dbraw/zinc/23/78/76/177237876.db2.gz JDIGBEVRYXCMIW-CMPLNLGQSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336752441 177238829 /nfs/dbraw/zinc/23/88/29/177238829.db2.gz GWINDRADFMBPPB-QJPTWQEYSA-N 1 3 213.369 0.866 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000357236387 177241133 /nfs/dbraw/zinc/24/11/33/177241133.db2.gz CVMZDWAVLXKZCK-YWVKMMECSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@H]1CN(CCN2CC[NH2+]CC2)CCCO1 ZINC000061918638 177251513 /nfs/dbraw/zinc/25/15/13/177251513.db2.gz HYURQFOQTBFWNA-LBPRGKRZSA-N 1 3 227.352 0.002 20 0 BCADHO C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1C[NH3+] ZINC000331470077 177322959 /nfs/dbraw/zinc/32/29/59/177322959.db2.gz VYYFGUJGVNTYOS-KJPMQGKISA-N 1 3 225.336 0.165 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CC2)CC[N@@H+]1C ZINC000132918582 177328748 /nfs/dbraw/zinc/32/87/48/177328748.db2.gz TYCFHPUPRDKBDP-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CC2)CC[N@H+]1C ZINC000132918582 177328749 /nfs/dbraw/zinc/32/87/49/177328749.db2.gz TYCFHPUPRDKBDP-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000132957356 177329484 /nfs/dbraw/zinc/32/94/84/177329484.db2.gz NHOBNWLZICSKHF-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCCC2)CC[NH2+]1 ZINC000336550411 177367353 /nfs/dbraw/zinc/36/73/53/177367353.db2.gz HAPCHQDLOZTUQK-WDEREUQCSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000357240659 177367731 /nfs/dbraw/zinc/36/77/31/177367731.db2.gz JTDHONXKKJOJJS-UTLUCORTSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000132956949 177368000 /nfs/dbraw/zinc/36/80/00/177368000.db2.gz NHOBNWLZICSKHF-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCn1cncn1 ZINC000358081095 177370965 /nfs/dbraw/zinc/37/09/65/177370965.db2.gz KNTBZNXPSNHCEC-WOPDTQHZSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCn1cncn1 ZINC000358081095 177370967 /nfs/dbraw/zinc/37/09/67/177370967.db2.gz KNTBZNXPSNHCEC-WOPDTQHZSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000377531828 177395921 /nfs/dbraw/zinc/39/59/21/177395921.db2.gz YRGDUHRTSZKUQO-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000494654082 226267526 /nfs/dbraw/zinc/26/75/26/226267526.db2.gz MPEMFELXFQQALF-MNOVXSKESA-N 1 3 227.352 0.762 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000494686992 226268193 /nfs/dbraw/zinc/26/81/93/226268193.db2.gz PWEPCHQQXJVDJW-NXEZZACHSA-N 1 3 229.368 0.994 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649519 226310791 /nfs/dbraw/zinc/31/07/91/226310791.db2.gz KQDZVOVHEXJEOD-GHMZBOCLSA-N 1 3 241.335 0.688 20 0 BCADHO CN(C(=O)[C@@H]1NCCCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000565765480 322937736 /nfs/dbraw/zinc/93/77/36/322937736.db2.gz QXZNKYMAZAYEMB-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775315 487673098 /nfs/dbraw/zinc/67/30/98/487673098.db2.gz OBEKIJRDXMKUDI-XQQFMLRXSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000383775315 487673100 /nfs/dbraw/zinc/67/31/00/487673100.db2.gz OBEKIJRDXMKUDI-XQQFMLRXSA-N 1 3 244.379 0.390 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000669403128 487705122 /nfs/dbraw/zinc/70/51/22/487705122.db2.gz LEKQRVAKGIUZEN-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO CC[NH2+]CCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403238 487705233 /nfs/dbraw/zinc/70/52/33/487705233.db2.gz PNIOFHLTCQUEFX-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCCN(C)C1 ZINC000669403273 487705717 /nfs/dbraw/zinc/70/57/17/487705717.db2.gz QVVHTMINWHQHJV-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000669403141 487705984 /nfs/dbraw/zinc/70/59/84/487705984.db2.gz LNNXRIFHCDYQRB-MNOVXSKESA-N 1 3 240.351 0.117 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403272 487706107 /nfs/dbraw/zinc/70/61/07/487706107.db2.gz QVVHTMINWHQHJV-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403342 487705932 /nfs/dbraw/zinc/70/59/32/487705932.db2.gz VZEUACGBKRUULL-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226394204 487730044 /nfs/dbraw/zinc/73/00/44/487730044.db2.gz ZSVCAHBWXVUQEP-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CNC(=O)CC(C)(C)[NH3+])N(C)C ZINC000082772120 487730585 /nfs/dbraw/zinc/73/05/85/487730585.db2.gz OKQIGQFQLAVGEG-MRVPVSSYSA-N 1 3 201.314 0.180 20 0 BCADHO CCN(CCNC(=O)CC(C)(C)[NH3+])C1CC1 ZINC000226397574 487731305 /nfs/dbraw/zinc/73/13/05/487731305.db2.gz NMLFGHGZAXBUAP-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000226403941 487734146 /nfs/dbraw/zinc/73/41/46/487734146.db2.gz SIHOOBDCXLALAL-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO CN1CCC[C@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250551003 487735370 /nfs/dbraw/zinc/73/53/70/487735370.db2.gz AEUVMGCPKAYJFZ-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250635485 487737360 /nfs/dbraw/zinc/73/73/60/487737360.db2.gz SADCWKMZYUOLLO-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@@H](C)O)C1 ZINC000076454652 487741803 /nfs/dbraw/zinc/74/18/03/487741803.db2.gz AHRNZIAWHHVKHU-VXGBXAGGSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC[C@@H](C)O)C1 ZINC000076454652 487741810 /nfs/dbraw/zinc/74/18/10/487741810.db2.gz AHRNZIAWHHVKHU-VXGBXAGGSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)CN1CC[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076454652 487741815 /nfs/dbraw/zinc/74/18/15/487741815.db2.gz AHRNZIAWHHVKHU-VXGBXAGGSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659516467 487764551 /nfs/dbraw/zinc/76/45/51/487764551.db2.gz IAKDPZFEYAARGO-OPRDCNLKSA-N 1 3 246.330 0.050 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C[C@H](N)c1ccccc1 ZINC000662964460 487772525 /nfs/dbraw/zinc/77/25/25/487772525.db2.gz BMYDBRIWFIMMHP-PWSUYJOCSA-N 1 3 235.331 0.801 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000662965775 487774664 /nfs/dbraw/zinc/77/46/64/487774664.db2.gz NVCNRWFCQFOBON-DCAQKATOSA-N 1 3 227.352 0.583 20 0 BCADHO Cn1nccc1CC[NH2+][C@@H]1CCNCC1(C)C ZINC000383121508 487775591 /nfs/dbraw/zinc/77/55/91/487775591.db2.gz HEXKQOQRTCTXKT-GFCCVEGCSA-N 1 3 236.363 0.940 20 0 BCADHO Cn1nccc1CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000383121508 487775597 /nfs/dbraw/zinc/77/55/97/487775597.db2.gz HEXKQOQRTCTXKT-GFCCVEGCSA-N 1 3 236.363 0.940 20 0 BCADHO CC(=O)NCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000394821975 487809232 /nfs/dbraw/zinc/80/92/32/487809232.db2.gz UOLDORFCXIABNG-MNOVXSKESA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@]1(CO)CCC[N@@H+]1CCCN ZINC000414759075 487822826 /nfs/dbraw/zinc/82/28/26/487822826.db2.gz NPKYPIIRPLQJQY-LLVKDONJSA-N 1 3 200.326 0.962 20 0 BCADHO CCC[C@]1(CO)CCC[N@H+]1CCCN ZINC000414759075 487822829 /nfs/dbraw/zinc/82/28/29/487822829.db2.gz NPKYPIIRPLQJQY-LLVKDONJSA-N 1 3 200.326 0.962 20 0 BCADHO Cc1ccc(C[C@H](CO)NCCC[NH3+])cc1 ZINC000415103866 487837868 /nfs/dbraw/zinc/83/78/68/487837868.db2.gz KFYSVPDLGACKOT-CYBMUJFWSA-N 1 3 222.332 0.837 20 0 BCADHO C[C@H](CNC(=[NH2+])N(C)C1CC1)CN(C)C ZINC000849030734 588442616 /nfs/dbraw/zinc/44/26/16/588442616.db2.gz VMCYWDLWELIFHD-SECBINFHSA-N 1 3 212.341 0.803 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCCCN1 ZINC000386382684 487842873 /nfs/dbraw/zinc/84/28/73/487842873.db2.gz DGFALWCJGAOWQR-GARJFASQSA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000212547691 487847434 /nfs/dbraw/zinc/84/74/34/487847434.db2.gz IHTAALPMXIMOJZ-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO CCNC(=O)CN(C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000666627477 487847204 /nfs/dbraw/zinc/84/72/04/487847204.db2.gz FCMDHEUMUCIPEZ-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089747454 487851733 /nfs/dbraw/zinc/85/17/33/487851733.db2.gz AEUVMGCPKAYJFZ-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000089747457 487851922 /nfs/dbraw/zinc/85/19/22/487851922.db2.gz AEUVMGCPKAYJFZ-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704847 487863085 /nfs/dbraw/zinc/86/30/85/487863085.db2.gz STFLCDFDCPZDFY-DGCLKSJQSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000666704847 487863088 /nfs/dbraw/zinc/86/30/88/487863088.db2.gz STFLCDFDCPZDFY-DGCLKSJQSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704851 487863113 /nfs/dbraw/zinc/86/31/13/487863113.db2.gz STFLCDFDCPZDFY-YPMHNXCESA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704851 487863116 /nfs/dbraw/zinc/86/31/16/487863116.db2.gz STFLCDFDCPZDFY-YPMHNXCESA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CCNC(=O)NC/C=C/C[NH3+])C1CC1 ZINC000669444679 487889223 /nfs/dbraw/zinc/88/92/23/487889223.db2.gz DUDPUUOOPSLIEU-ONEGZZNKSA-N 1 3 240.351 0.285 20 0 BCADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000666947964 487889508 /nfs/dbraw/zinc/88/95/08/487889508.db2.gz LXXHNWIAOJLKIU-KXNHARMFSA-N 1 3 229.343 0.807 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655516281 487897946 /nfs/dbraw/zinc/89/79/46/487897946.db2.gz RPGHBWORUAIKDS-SSDOTTSWSA-N 1 3 241.257 0.334 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCNC1(C)C ZINC000666966095 487920054 /nfs/dbraw/zinc/92/00/54/487920054.db2.gz KPYXYSQSIVWPSS-ZJUUUORDSA-N 1 3 200.326 0.999 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000157800264 487921369 /nfs/dbraw/zinc/92/13/69/487921369.db2.gz RXSKOXKTZIQRGW-NEPJUHHUSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000157800264 487921373 /nfs/dbraw/zinc/92/13/73/487921373.db2.gz RXSKOXKTZIQRGW-NEPJUHHUSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H](O)CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000235223419 487936405 /nfs/dbraw/zinc/93/64/05/487936405.db2.gz LOSDDKYUQRBPMB-MNOVXSKESA-N 1 3 212.337 0.831 20 0 BCADHO C[C@@H](O)C[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000235223419 487936409 /nfs/dbraw/zinc/93/64/09/487936409.db2.gz LOSDDKYUQRBPMB-MNOVXSKESA-N 1 3 212.337 0.831 20 0 BCADHO C[C@@H](O)C[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000235223419 487936412 /nfs/dbraw/zinc/93/64/12/487936412.db2.gz LOSDDKYUQRBPMB-MNOVXSKESA-N 1 3 212.337 0.831 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188754345 487949307 /nfs/dbraw/zinc/94/93/07/487949307.db2.gz UHEPEMQBTGNLRQ-HBNTYKKESA-N 1 3 243.326 0.239 20 0 BCADHO CC(C)([NH3+])CNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000561182307 322996581 /nfs/dbraw/zinc/99/65/81/322996581.db2.gz IDRZJDWMHSDNFL-LBPRGKRZSA-N 1 3 249.358 0.800 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000322804345 323036660 /nfs/dbraw/zinc/03/66/60/323036660.db2.gz RINFOGGGTRFZTP-LPEHRKFASA-N 1 3 213.325 0.371 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000322804345 323036661 /nfs/dbraw/zinc/03/66/61/323036661.db2.gz RINFOGGGTRFZTP-LPEHRKFASA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000570082162 323049361 /nfs/dbraw/zinc/04/93/61/323049361.db2.gz SAEGKPWNZXQTDF-UHTWSYAYSA-N 1 3 242.363 0.335 20 0 BCADHO CCCCN1CCC([NH2+]CCC(N)=O)CC1 ZINC000570155801 323051247 /nfs/dbraw/zinc/05/12/47/323051247.db2.gz QNTWDQFRLAWZKP-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCCC[NH+]1CCC(NCCC(N)=O)CC1 ZINC000570155801 323051248 /nfs/dbraw/zinc/05/12/48/323051248.db2.gz QNTWDQFRLAWZKP-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO NC1(C(=O)N2CC3CCC2(C[NH3+])CC3)CCC1 ZINC000570222327 323053226 /nfs/dbraw/zinc/05/32/26/323053226.db2.gz UPCONNYYQVLLRG-UHFFFAOYSA-N 1 3 237.347 0.598 20 0 BCADHO COC[C@@H](C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000570303577 323055736 /nfs/dbraw/zinc/05/57/36/323055736.db2.gz GFDPPAONRXSFPA-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CN1CCNC[C@@H]1CN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000570507427 323061314 /nfs/dbraw/zinc/06/13/14/323061314.db2.gz BKVDSSARRSILCM-FRRDWIJNSA-N 1 3 240.395 0.140 20 0 BCADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000570568756 323063433 /nfs/dbraw/zinc/06/34/33/323063433.db2.gz ILHAJMJLZRFUDA-DSYKOEDSSA-N 1 3 239.241 0.072 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CC[C@@H](C)C1 ZINC000570685966 323067205 /nfs/dbraw/zinc/06/72/05/323067205.db2.gz BUUFZTHEPRJPHS-NXEZZACHSA-N 1 3 213.325 0.039 20 0 BCADHO C[NH2+]CCC(=O)NC[C@H](N)c1ccccc1 ZINC000570716983 323068383 /nfs/dbraw/zinc/06/83/83/323068383.db2.gz ZHOWSGGPUIIKRU-NSHDSACASA-N 1 3 221.304 0.412 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)C1(N)CCC1 ZINC000570715796 323068399 /nfs/dbraw/zinc/06/83/99/323068399.db2.gz NLTGRVLEJXEWBP-UHFFFAOYSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H](CN1CCOCC1)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000570720939 323068546 /nfs/dbraw/zinc/06/85/46/323068546.db2.gz PTJHVCZYQCCSQN-FRRDWIJNSA-N 1 3 241.379 0.376 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000570738710 323068844 /nfs/dbraw/zinc/06/88/44/323068844.db2.gz KYTMKUSYBVSMBA-VHSXEESVSA-N 1 3 227.352 0.489 20 0 BCADHO CC[C@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000563014473 323079941 /nfs/dbraw/zinc/07/99/41/323079941.db2.gz WTEWEVHOTQBGRR-JQWIXIFHSA-N 1 3 212.337 0.997 20 0 BCADHO C[C@H](C(=O)N1C[C@@H](C)NC[C@H]1C)C1C[NH2+]C1 ZINC000563087790 323091254 /nfs/dbraw/zinc/09/12/54/323091254.db2.gz PYNYCWOWVCEQEE-BBBLOLIVSA-N 1 3 225.336 0.051 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000563100186 323092423 /nfs/dbraw/zinc/09/24/23/323092423.db2.gz UDITVOMDGMPZGL-JQWIXIFHSA-N 1 3 227.352 0.572 20 0 BCADHO NC1(C(=O)NCC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000563100445 323092441 /nfs/dbraw/zinc/09/24/41/323092441.db2.gz RKBFHJAPNWFFSC-JTQLQIEISA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000567848386 323092723 /nfs/dbraw/zinc/09/27/23/323092723.db2.gz ACJFRTACTKVZNK-PSASIEDQSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000563109008 323092871 /nfs/dbraw/zinc/09/28/71/323092871.db2.gz FUYIHEPGIXQSBW-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO N[C@@H](CC(=O)NCCCC[NH3+])Cc1ccccc1 ZINC000563110395 323092952 /nfs/dbraw/zinc/09/29/52/323092952.db2.gz UUNVJQUPNDMCMV-CYBMUJFWSA-N 1 3 249.358 0.802 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000563109161 323093090 /nfs/dbraw/zinc/09/30/90/323093090.db2.gz ZMFXUZICBYECDK-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563169273 323099706 /nfs/dbraw/zinc/09/97/06/323099706.db2.gz GJRLBAGUQXINQP-HLTSFMKQSA-N 1 3 201.314 0.212 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000563414299 323123422 /nfs/dbraw/zinc/12/34/22/323123422.db2.gz PIVUKKHBGICXPN-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO N[C@@H](CNC(=O)CC[NH2+]C1CC1)c1ccccc1 ZINC000563417362 323123595 /nfs/dbraw/zinc/12/35/95/323123595.db2.gz NUQWKNVGJAIZHO-ZDUSSCGKSA-N 1 3 247.342 0.945 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CNCCC2(F)F)C1 ZINC000563422845 323124282 /nfs/dbraw/zinc/12/42/82/323124282.db2.gz CRZUETNFEMIRQR-KXUCPTDWSA-N 1 3 233.306 0.843 20 0 BCADHO CC(C)NCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563451614 323126576 /nfs/dbraw/zinc/12/65/76/323126576.db2.gz NTWWFCQHGWLFSY-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)NCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563452216 323126612 /nfs/dbraw/zinc/12/66/12/323126612.db2.gz XBHFLKYFSYANNU-NSHDSACASA-N 1 3 227.352 0.490 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000563529170 323129225 /nfs/dbraw/zinc/12/92/25/323129225.db2.gz RLNIKHJEYNPKBG-FRRDWIJNSA-N 1 3 244.379 0.846 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000563529170 323129226 /nfs/dbraw/zinc/12/92/26/323129226.db2.gz RLNIKHJEYNPKBG-FRRDWIJNSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000563583047 323130508 /nfs/dbraw/zinc/13/05/08/323130508.db2.gz HNUWBOFVZGUSJJ-WOPDTQHZSA-N 1 3 239.363 0.490 20 0 BCADHO CN1CC[C@H](C[NH2+][C@H]2CCC[C@H](N)C2)CC1=O ZINC000563635633 323133174 /nfs/dbraw/zinc/13/31/74/323133174.db2.gz LBZWURHMUADQFJ-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC000571081331 323135043 /nfs/dbraw/zinc/13/50/43/323135043.db2.gz MCGBZFWVVJOTRD-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CCN1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000391624043 323179544 /nfs/dbraw/zinc/17/95/44/323179544.db2.gz VBXZJMSTKJWOEI-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000391624039 323179607 /nfs/dbraw/zinc/17/96/07/323179607.db2.gz VBXZJMSTKJWOEI-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC(O)(C[NH2+]CC2(F)CC2)CC1 ZINC000308948197 323182265 /nfs/dbraw/zinc/18/22/65/323182265.db2.gz OJNVEJGLBWZQIQ-UHFFFAOYSA-N 1 3 216.300 0.535 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CC1 ZINC000103211641 323246185 /nfs/dbraw/zinc/24/61/85/323246185.db2.gz RQJFZHSFJRHSEW-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CNC1CC1 ZINC000563945651 323330238 /nfs/dbraw/zinc/33/02/38/323330238.db2.gz CBHOVTLIIUVOLS-MWLCHTKSSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563945769 323330298 /nfs/dbraw/zinc/33/02/98/323330298.db2.gz NQPDUXFCDVNVBZ-CMPLNLGQSA-N 1 3 239.363 0.490 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000571683213 323346612 /nfs/dbraw/zinc/34/66/12/323346612.db2.gz GCWIPNJUJHAURL-SKDRFNHKSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000571683207 323346714 /nfs/dbraw/zinc/34/67/14/323346714.db2.gz GCWIPNJUJHAURL-BXKDBHETSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CNCCC1(F)F ZINC000571761353 323474198 /nfs/dbraw/zinc/47/41/98/323474198.db2.gz HOJXMOWAEDKGEE-HTQZYQBOSA-N 1 3 235.278 0.227 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000041680164 487958923 /nfs/dbraw/zinc/95/89/23/487958923.db2.gz QEIOTPZNIZKVBS-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680162 487959328 /nfs/dbraw/zinc/95/93/28/487959328.db2.gz QEIOTPZNIZKVBS-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679614 487959371 /nfs/dbraw/zinc/95/93/71/487959371.db2.gz WXNPDKANTURVLC-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CN)C1 ZINC000083889431 487960044 /nfs/dbraw/zinc/96/00/44/487960044.db2.gz OXBNGOAVAARVKY-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CN)C1 ZINC000083889431 487960047 /nfs/dbraw/zinc/96/00/47/487960047.db2.gz OXBNGOAVAARVKY-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000083889432 487959752 /nfs/dbraw/zinc/95/97/52/487959752.db2.gz AILVCSFMXVEHGX-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000083889432 487959756 /nfs/dbraw/zinc/95/97/56/487959756.db2.gz AILVCSFMXVEHGX-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218771 324537355 /nfs/dbraw/zinc/53/73/55/324537355.db2.gz HBLRMGDVRMRREV-BFUDSRACSA-N 1 3 210.321 0.882 20 0 BCADHO C[C@@H](N)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000131946326 325192877 /nfs/dbraw/zinc/19/28/77/325192877.db2.gz YSBBRSPIBIXADL-SNVBAGLBSA-N 1 3 227.352 0.762 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000554134846 325708197 /nfs/dbraw/zinc/70/81/97/325708197.db2.gz SUGRZBMCZUUYGI-SRVKXCTJSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000564933871 325828629 /nfs/dbraw/zinc/82/86/29/325828629.db2.gz ZBQXCEKXZOHUMR-ZYHUDNBSSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000564995700 325843369 /nfs/dbraw/zinc/84/33/69/325843369.db2.gz ONOJVSOAPALZGP-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO N[C@@H](C(=O)NCCNc1cc[nH+]cc1)C1CCC1 ZINC000566171207 326006196 /nfs/dbraw/zinc/00/61/96/326006196.db2.gz RPUJPWVGFFAFGG-GFCCVEGCSA-N 1 3 248.330 0.159 20 0 BCADHO NC1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566236924 326021246 /nfs/dbraw/zinc/02/12/46/326021246.db2.gz DXMPKFODHQZIPV-SNVBAGLBSA-N 1 3 219.288 0.294 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000566296315 326030251 /nfs/dbraw/zinc/03/02/51/326030251.db2.gz FJXUWACBEGVDDK-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000566296315 326030253 /nfs/dbraw/zinc/03/02/53/326030253.db2.gz FJXUWACBEGVDDK-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(COC)CC1 ZINC000566350907 326034882 /nfs/dbraw/zinc/03/48/82/326034882.db2.gz COGWWCMXOLCTMM-LBPRGKRZSA-N 1 3 230.352 0.315 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000566551348 326063268 /nfs/dbraw/zinc/06/32/68/326063268.db2.gz RMBWKUFHDRSXQH-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@H](C)N1 ZINC000566551353 326063290 /nfs/dbraw/zinc/06/32/90/326063290.db2.gz SDTXZBDBVUIIOO-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CC(N)=O)NCc1ccc(C[NH3+])cc1 ZINC000566562243 326064284 /nfs/dbraw/zinc/06/42/84/326064284.db2.gz QDJXZGLSKAFNOS-SECBINFHSA-N 1 3 221.304 0.499 20 0 BCADHO CC[C@@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566786672 326082561 /nfs/dbraw/zinc/08/25/61/326082561.db2.gz SIDCCXURFVPMFL-SNVBAGLBSA-N 1 3 227.352 0.892 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1CNCc2ccccc21 ZINC000566855184 326088400 /nfs/dbraw/zinc/08/84/00/326088400.db2.gz VLJWYAOQINOVQI-ZWNOBZJWSA-N 1 3 247.342 0.727 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918039 326093999 /nfs/dbraw/zinc/09/39/99/326093999.db2.gz DQOHWYQDWFGZMT-OUAUKWLOSA-N 1 3 200.326 0.545 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000566918039 326094000 /nfs/dbraw/zinc/09/40/00/326094000.db2.gz DQOHWYQDWFGZMT-OUAUKWLOSA-N 1 3 200.326 0.545 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000404880396 326101951 /nfs/dbraw/zinc/10/19/51/326101951.db2.gz JDESXNBBZXPWAF-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C(N)C(F)(F)F)CC[NH2+]1 ZINC000567047545 326106143 /nfs/dbraw/zinc/10/61/43/326106143.db2.gz IZPJJOVGFGTQJV-QYNIQEEDSA-N 1 3 239.241 0.133 20 0 BCADHO NC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000567179799 326130451 /nfs/dbraw/zinc/13/04/51/326130451.db2.gz VDPFFPPPJLMKEF-UKKRHICBSA-N 1 3 225.336 0.500 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CCSC ZINC000567232855 326147397 /nfs/dbraw/zinc/14/73/97/326147397.db2.gz NFJCMXCIKRVOGI-UWVGGRQHSA-N 1 3 247.408 0.701 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000567275377 326154367 /nfs/dbraw/zinc/15/43/67/326154367.db2.gz IACLIRCRGPZJJG-GRYCIOLGSA-N 1 3 237.347 0.420 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000155242349 326189620 /nfs/dbraw/zinc/18/96/20/326189620.db2.gz PTBQICOINHJXMK-JQWIXIFHSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000567469609 326198579 /nfs/dbraw/zinc/19/85/79/326198579.db2.gz PBMLGVJFVWNIMK-JQWIXIFHSA-N 1 3 227.352 0.701 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)N(C)C ZINC000156204349 326221771 /nfs/dbraw/zinc/22/17/71/326221771.db2.gz IQGBQAQNNDPRBW-NEPJUHHUSA-N 1 3 241.379 0.783 20 0 BCADHO COC[C@@H](O)CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000567683670 326244746 /nfs/dbraw/zinc/24/47/46/326244746.db2.gz UTCFRUGCHXGKIO-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000567683670 326244747 /nfs/dbraw/zinc/24/47/47/326244747.db2.gz UTCFRUGCHXGKIO-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@H]2CCCC[C@@H]2O)CCCO1 ZINC000313349201 326263962 /nfs/dbraw/zinc/26/39/62/326263962.db2.gz LLPAAIZVDDVYRB-UPJWGTAASA-N 1 3 242.363 0.587 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000567907877 326281614 /nfs/dbraw/zinc/28/16/14/326281614.db2.gz DGGWBGBMYRMYQO-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO CC[C@H](C)CN(C)C[C@@](C)(O)C[NH2+]C ZINC000568050902 326300388 /nfs/dbraw/zinc/30/03/88/326300388.db2.gz MQIQICZAOQIRCG-QWRGUYRKSA-N 1 3 202.342 0.935 20 0 BCADHO COCCN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000567990368 326292652 /nfs/dbraw/zinc/29/26/52/326292652.db2.gz XJBUKDPPBNFHGY-ZDUSSCGKSA-N 1 3 241.379 0.250 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CO)[C@@H]1C ZINC000568181187 326321790 /nfs/dbraw/zinc/32/17/90/326321790.db2.gz MZCXNXPJVVAYNQ-AVGNSLFASA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CO)[C@@H]1C ZINC000568181187 326321792 /nfs/dbraw/zinc/32/17/92/326321792.db2.gz MZCXNXPJVVAYNQ-AVGNSLFASA-N 1 3 244.379 0.392 20 0 BCADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCCC1 ZINC000568249090 326334616 /nfs/dbraw/zinc/33/46/16/326334616.db2.gz HFRTVWCTQKAJBV-WDEREUQCSA-N 1 3 239.363 0.892 20 0 BCADHO NC(=O)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000568249090 326334618 /nfs/dbraw/zinc/33/46/18/326334618.db2.gz HFRTVWCTQKAJBV-WDEREUQCSA-N 1 3 239.363 0.892 20 0 BCADHO CC[C@H]1CN(C)CCN1C[C@H](O)C[N@H+](C)CC ZINC000568527090 326362956 /nfs/dbraw/zinc/36/29/56/326362956.db2.gz KWAVDRFAYPRMIK-QWHCGFSZSA-N 1 3 243.395 0.325 20 0 BCADHO CC[C@H]1CN(C)CCN1C[C@H](O)C[N@@H+](C)CC ZINC000568527090 326362959 /nfs/dbraw/zinc/36/29/59/326362959.db2.gz KWAVDRFAYPRMIK-QWHCGFSZSA-N 1 3 243.395 0.325 20 0 BCADHO CC(=O)N1CC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000568651014 326371154 /nfs/dbraw/zinc/37/11/54/326371154.db2.gz GAKOZCLFBHLHEN-SRVKXCTJSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](C(=O)N(CCN(C)C)C1CC1)C1C[NH2+]C1 ZINC000568760237 326375508 /nfs/dbraw/zinc/37/55/08/326375508.db2.gz BYEKAEXVAMFURG-SNVBAGLBSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000568879362 326380963 /nfs/dbraw/zinc/38/09/63/326380963.db2.gz XOIOFOHYCSBEKW-VHSXEESVSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000568984805 326384750 /nfs/dbraw/zinc/38/47/50/326384750.db2.gz QYNOYNFNJOKJHO-BQBZGAKWSA-N 1 3 241.257 0.510 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)C1CCN(C)CC1 ZINC000568998441 326386004 /nfs/dbraw/zinc/38/60/04/326386004.db2.gz CXOXIQARVOGSED-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO NCC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000569104243 326390039 /nfs/dbraw/zinc/39/00/39/326390039.db2.gz AZNTUZNQDOXIMY-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH2+]CCCN1CCNC[C@H]1c1cccnc1 ZINC000569246153 326397681 /nfs/dbraw/zinc/39/76/81/326397681.db2.gz XJWJEILUVKBSSB-ZDUSSCGKSA-N 1 3 234.347 0.637 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[NH2+]C1CC1 ZINC000309507444 487979972 /nfs/dbraw/zinc/97/99/72/487979972.db2.gz WISLIDDJIHGNHJ-LLVKDONJSA-N 1 3 213.325 0.372 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000158869140 487981184 /nfs/dbraw/zinc/98/11/84/487981184.db2.gz GGIAELCFSFAUDJ-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000229934845 487999290 /nfs/dbraw/zinc/99/92/90/487999290.db2.gz UBEAHEFXPKXHMW-JTQLQIEISA-N 1 3 223.324 0.784 20 0 BCADHO C[NH+]1CCC(CCNC(=O)C2(N)CCC2)CC1 ZINC000229944433 488005872 /nfs/dbraw/zinc/00/58/72/488005872.db2.gz ACOLMZXCRAAFRV-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CCN(C[C@@H]1CC[NH2+]C1)C[C@@H]1CCOC1 ZINC000309646769 488009918 /nfs/dbraw/zinc/00/99/18/488009918.db2.gz QRYQIQLJVCXZHQ-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO O=C1C[C@H]([NH2+]CCCN2CCCC2)CCCN1 ZINC000111826969 488012302 /nfs/dbraw/zinc/01/23/02/488012302.db2.gz YWQMGABDYVZWKD-GFCCVEGCSA-N 1 3 239.363 0.731 20 0 BCADHO O=C1C[C@H](NCCC[NH+]2CCCC2)CCCN1 ZINC000111826969 488012311 /nfs/dbraw/zinc/01/23/11/488012311.db2.gz YWQMGABDYVZWKD-GFCCVEGCSA-N 1 3 239.363 0.731 20 0 BCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000310499352 488033460 /nfs/dbraw/zinc/03/34/60/488033460.db2.gz HMXQXMLUZWTKMO-JHJVBQTASA-N 1 3 244.379 0.845 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000655447304 488036104 /nfs/dbraw/zinc/03/61/04/488036104.db2.gz VKBOWGMFVLUJJC-ONGXEEELSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000655447301 488036718 /nfs/dbraw/zinc/03/67/18/488036718.db2.gz VKBOWGMFVLUJJC-GXSJLCMTSA-N 1 3 225.336 0.195 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000091395013 488049131 /nfs/dbraw/zinc/04/91/31/488049131.db2.gz GDVSWGRFPSCHLH-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCNC2=O)C1 ZINC000656200905 488067713 /nfs/dbraw/zinc/06/77/13/488067713.db2.gz YIGINSCMARBBCU-GMTAPVOTSA-N 1 3 225.336 0.372 20 0 BCADHO Cc1ncccc1CN1CCC(O)(C[NH3+])CC1 ZINC000397018734 488072138 /nfs/dbraw/zinc/07/21/38/488072138.db2.gz QKXNUYQOZHRVBB-UHFFFAOYSA-N 1 3 235.331 0.676 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](C)C[NH3+])C1 ZINC000389169803 488079399 /nfs/dbraw/zinc/07/93/99/488079399.db2.gz NNACNANAMJMRME-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC)C1 ZINC000389195347 488080453 /nfs/dbraw/zinc/08/04/53/488080453.db2.gz WZSUXHSHJBFXHA-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC)C1 ZINC000389195347 488080458 /nfs/dbraw/zinc/08/04/58/488080458.db2.gz WZSUXHSHJBFXHA-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000236766014 488088018 /nfs/dbraw/zinc/08/80/18/488088018.db2.gz NWVMCYOKKCUWMQ-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])C1 ZINC000389400396 488094579 /nfs/dbraw/zinc/09/45/79/488094579.db2.gz PLLCKDGOBGVMLV-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236938388 488099913 /nfs/dbraw/zinc/09/99/13/488099913.db2.gz HLJXHHUUKVYNTP-VWYCJHECSA-N 1 3 227.352 0.618 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000389650360 488104410 /nfs/dbraw/zinc/10/44/10/488104410.db2.gz NYSKIYLVBYFXED-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000389730812 488109569 /nfs/dbraw/zinc/10/95/69/488109569.db2.gz JQUFVOXHZGERBL-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000389730812 488109572 /nfs/dbraw/zinc/10/95/72/488109572.db2.gz JQUFVOXHZGERBL-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512038 488116840 /nfs/dbraw/zinc/11/68/40/488116840.db2.gz SPAPTGQOMUANKX-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC1(C)CNCCN1C(=O)CC1([NH3+])CCC1 ZINC000669512357 488117799 /nfs/dbraw/zinc/11/77/99/488117799.db2.gz IHYHYQXADINTFM-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@@H]1NCCCC1(C)C ZINC000669512129 488118115 /nfs/dbraw/zinc/11/81/15/488118115.db2.gz YBBSQHPFJJSIAO-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCNCC1(C)C ZINC000669512397 488118932 /nfs/dbraw/zinc/11/89/32/488118932.db2.gz OUWYCYHTDWHJLP-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000669512441 488118732 /nfs/dbraw/zinc/11/87/32/488118732.db2.gz VOBGOPYMYZEHPT-GXFFZTMASA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)[C@@H](C)CN1 ZINC000669513559 488121475 /nfs/dbraw/zinc/12/14/75/488121475.db2.gz JDIHFHLQHXPHIZ-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H](C)[C@H](C)[NH3+])CCN1 ZINC000669514699 488123766 /nfs/dbraw/zinc/12/37/66/488123766.db2.gz ADNCHCLYEQZWFQ-OUAUKWLOSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H](N)CC(C)C)CC[C@H]1[NH3+] ZINC000669516052 488125850 /nfs/dbraw/zinc/12/58/50/488125850.db2.gz PQWOCJKUDJZEPT-TUAOUCFPSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000669517865 488128631 /nfs/dbraw/zinc/12/86/31/488128631.db2.gz JPSOKVUTWIHEKT-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H](C)CO)C1 ZINC000121144754 490076760 /nfs/dbraw/zinc/07/67/60/490076760.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 1 3 214.353 0.888 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H](C)CO)C1 ZINC000121144754 490076764 /nfs/dbraw/zinc/07/67/64/490076764.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121144754 490076767 /nfs/dbraw/zinc/07/67/67/490076767.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121144754 490076770 /nfs/dbraw/zinc/07/67/70/490076770.db2.gz BPNXUTKZGRIRGC-VXGBXAGGSA-N 1 3 214.353 0.888 20 0 BCADHO COC[C@@H](CN[C@@H]1CC[NH2+]CC1(C)C)OC ZINC000300857404 487541349 /nfs/dbraw/zinc/54/13/49/487541349.db2.gz OQLKUTLQPMHSOR-GHMZBOCLSA-N 1 3 230.352 0.626 20 0 BCADHO COC[C@@H](C[NH2+][C@@H]1CCNCC1(C)C)OC ZINC000300857404 487541351 /nfs/dbraw/zinc/54/13/51/487541351.db2.gz OQLKUTLQPMHSOR-GHMZBOCLSA-N 1 3 230.352 0.626 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@H](C)N1CCCC1 ZINC000161041851 487473656 /nfs/dbraw/zinc/47/36/56/487473656.db2.gz NGTALKDOFBHBFQ-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000086067808 487477485 /nfs/dbraw/zinc/47/74/85/487477485.db2.gz ZGNWYABTMPDFPL-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO Cc1c[nH+]ccc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405458186 487484843 /nfs/dbraw/zinc/48/48/43/487484843.db2.gz IBWHAEQYAJLAIN-NWDGAFQWSA-N 1 3 233.315 0.645 20 0 BCADHO CN(C[C@H]1CCC[N@@H+]1C)C[C@@H]1CNCCO1 ZINC000086188768 487489762 /nfs/dbraw/zinc/48/97/62/487489762.db2.gz UANDYZQIPHZHPZ-NEPJUHHUSA-N 1 3 227.352 0.001 20 0 BCADHO CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1CNCCO1 ZINC000086188768 487489766 /nfs/dbraw/zinc/48/97/66/487489766.db2.gz UANDYZQIPHZHPZ-NEPJUHHUSA-N 1 3 227.352 0.001 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NC[C@@H]2CCC(=O)N2)C1 ZINC000086404427 487500893 /nfs/dbraw/zinc/50/08/93/487500893.db2.gz IMMZTIHIOJACTC-GUBZILKMSA-N 1 3 211.309 0.125 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404427 487500895 /nfs/dbraw/zinc/50/08/95/487500895.db2.gz IMMZTIHIOJACTC-GUBZILKMSA-N 1 3 211.309 0.125 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334341310 487501918 /nfs/dbraw/zinc/50/19/18/487501918.db2.gz IXYAIAJZNQOBPT-CMPLNLGQSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)(N)C(=O)Nc1cccc(C[NH3+])c1 ZINC000169811077 487508168 /nfs/dbraw/zinc/50/81/68/487508168.db2.gz STSKGCHECSEFCN-UHFFFAOYSA-N 1 3 207.277 0.821 20 0 BCADHO C[NH2+]CCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000381479634 487509517 /nfs/dbraw/zinc/50/95/17/487509517.db2.gz CDUJQRXCPGTTQH-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO CC1(C)CN(C(=O)CC2([NH3+])CCC2)CCN1 ZINC000669520963 488149529 /nfs/dbraw/zinc/14/95/29/488149529.db2.gz MHHQDKBHGHMEIT-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CCn1cc(CN[C@@H](C)CCCC[NH3+])nn1 ZINC000404412875 488156371 /nfs/dbraw/zinc/15/63/71/488156371.db2.gz ARBXLIQNHOAQSU-JTQLQIEISA-N 1 3 225.340 0.905 20 0 BCADHO O[C@H](CNC[C@@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689527 488138836 /nfs/dbraw/zinc/13/88/36/488138836.db2.gz DMRLJKQTDKEFHC-JHJVBQTASA-N 1 3 242.363 0.194 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CC(C)C ZINC000669520222 488139544 /nfs/dbraw/zinc/13/95/44/488139544.db2.gz BZQFCXNTWXDWDE-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]1CCN(CCc2ccnn2C)C[C@@H]1C[NH3+] ZINC000230775651 488156807 /nfs/dbraw/zinc/15/68/07/488156807.db2.gz UZTIIHPDGZEECP-NEPJUHHUSA-N 1 3 236.363 0.879 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)CCC[NH3+] ZINC000380157331 488175724 /nfs/dbraw/zinc/17/57/24/488175724.db2.gz ZMBGHLICWYIGRC-SNVBAGLBSA-N 1 3 201.314 0.311 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167527944 488175942 /nfs/dbraw/zinc/17/59/42/488175942.db2.gz XPYQBTPMGIMFMN-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167527944 488175945 /nfs/dbraw/zinc/17/59/45/488175945.db2.gz XPYQBTPMGIMFMN-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000162037526 490136945 /nfs/dbraw/zinc/13/69/45/490136945.db2.gz ODTYGLIAGVGRCG-MXWKQRLJSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)N(C)C ZINC000407298453 490245670 /nfs/dbraw/zinc/24/56/70/490245670.db2.gz AYLGKLKJKSQWLN-ADEWGFFLSA-N 1 3 239.363 0.583 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000662966706 490245940 /nfs/dbraw/zinc/24/59/40/490245940.db2.gz UWNLUWLISZUEMS-SECBINFHSA-N 1 3 233.315 0.628 20 0 BCADHO CN1CCC(O)(C[NH2+]C2CSC2)CC1 ZINC000306304329 490632823 /nfs/dbraw/zinc/63/28/23/490632823.db2.gz DCVXSDYFZZARNB-UHFFFAOYSA-N 1 3 216.350 0.148 20 0 BCADHO CN(CC[NH+]1CCCCC1)C[C@@H]1CNCCO1 ZINC000126615687 491131980 /nfs/dbraw/zinc/13/19/80/491131980.db2.gz WYPHJENVSPUAQX-ZDUSSCGKSA-N 1 3 241.379 0.393 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@@H](N)Cc1ccccc1 ZINC000131937296 491134281 /nfs/dbraw/zinc/13/42/81/491134281.db2.gz SSBAJSNHJZHQGO-LBPRGKRZSA-N 1 3 235.331 0.364 20 0 BCADHO C[C@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@@H+]1C ZINC000132209673 491134747 /nfs/dbraw/zinc/13/47/47/491134747.db2.gz MYAGVJIDDSEIBY-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H]1C[C@@H](NCCC(=O)N(C)C)CC[N@H+]1C ZINC000132209673 491134748 /nfs/dbraw/zinc/13/47/48/491134748.db2.gz MYAGVJIDDSEIBY-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H](CC[NH+](C)C)N[C@@H](C)Cn1cncn1 ZINC000309793162 491156693 /nfs/dbraw/zinc/15/66/93/491156693.db2.gz UUUCACBPGSZFMX-QWRGUYRKSA-N 1 3 225.340 0.596 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[NH2+]CC ZINC000261530798 535527766 /nfs/dbraw/zinc/52/77/66/535527766.db2.gz DDBBZESOTINKEE-SNVBAGLBSA-N 1 3 201.314 0.230 20 0 BCADHO CCOC[C@H](C)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000261530172 535689957 /nfs/dbraw/zinc/68/99/57/535689957.db2.gz XPVVRBQCGRBEDU-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO CCOC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000261530172 535689963 /nfs/dbraw/zinc/68/99/63/535689963.db2.gz XPVVRBQCGRBEDU-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CCCN1C ZINC000891438377 582685668 /nfs/dbraw/zinc/68/56/68/582685668.db2.gz QKVZAIHINBYQHR-OUAUKWLOSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)N1CCCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000335522241 517438941 /nfs/dbraw/zinc/43/89/41/517438941.db2.gz SPQUWZKHOPYQBM-UHFFFAOYSA-N 1 3 241.379 0.914 20 0 BCADHO COCCOCCN(C)CC(C)(C)C[NH3+] ZINC000086638093 536494998 /nfs/dbraw/zinc/49/49/98/536494998.db2.gz DFSFADBRBUUYBC-UHFFFAOYSA-N 1 3 218.341 0.566 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000494681295 528495559 /nfs/dbraw/zinc/49/55/59/528495559.db2.gz KLFUMUDNVRYOQQ-IJLUTSLNSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000494681295 528495566 /nfs/dbraw/zinc/49/55/66/528495566.db2.gz KLFUMUDNVRYOQQ-IJLUTSLNSA-N 1 3 241.379 0.911 20 0 BCADHO CCOC(=O)N1CC[C@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000496878523 529022559 /nfs/dbraw/zinc/02/25/59/529022559.db2.gz ZJBOAIDGZDWCPW-MXWKQRLJSA-N 1 3 243.351 0.933 20 0 BCADHO CC(C)(C)[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746013 535049424 /nfs/dbraw/zinc/04/94/24/535049424.db2.gz VEVLQBVWECOOAC-GWCFXTLKSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N(C)C ZINC000262637743 535130899 /nfs/dbraw/zinc/13/08/99/535130899.db2.gz QPKKDBWWTZNWSJ-QWRGUYRKSA-N 1 3 227.352 0.393 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000253034156 535161025 /nfs/dbraw/zinc/16/10/25/535161025.db2.gz VGRUQWMWBUBAKY-GARJFASQSA-N 1 3 200.326 0.720 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000261574577 535207694 /nfs/dbraw/zinc/20/76/94/535207694.db2.gz JILBOESVBQFCOV-LPEHRKFASA-N 1 3 213.325 0.084 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C ZINC000261806443 535322804 /nfs/dbraw/zinc/32/28/04/535322804.db2.gz MFZBVDHPIVWYML-IJLUTSLNSA-N 1 3 241.379 0.768 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](COC)OC)CC1 ZINC000227716068 535474249 /nfs/dbraw/zinc/47/42/49/535474249.db2.gz JTCQZYDMJIALPU-LBPRGKRZSA-N 1 3 230.352 0.722 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261544806 535528958 /nfs/dbraw/zinc/52/89/58/535528958.db2.gz JCUPIYJYTFLKEQ-GXSJLCMTSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471735 535652856 /nfs/dbraw/zinc/65/28/56/535652856.db2.gz QNVQYHUHSCOKHP-NXEZZACHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000261555489 535755002 /nfs/dbraw/zinc/75/50/02/535755002.db2.gz VBTPBPFKXVDSAC-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000261555489 535755006 /nfs/dbraw/zinc/75/50/06/535755006.db2.gz VBTPBPFKXVDSAC-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351759488 535759636 /nfs/dbraw/zinc/75/96/36/535759636.db2.gz CZDRLDBUXHSZLY-SCVCMEIPSA-N 1 3 227.352 0.700 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335939359 535959596 /nfs/dbraw/zinc/95/95/96/535959596.db2.gz FLAFIJACXINVNH-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335939359 535959601 /nfs/dbraw/zinc/95/96/01/535959601.db2.gz FLAFIJACXINVNH-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261745023 536391654 /nfs/dbraw/zinc/39/16/54/536391654.db2.gz MCMMPQZFQIMYKK-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CC[C@H](N2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000335396427 536478051 /nfs/dbraw/zinc/47/80/51/536478051.db2.gz PTOARCFLOAASKD-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO C[C@@]1(NC(=O)c2cccc(CN)c2)CC[NH2+]C1 ZINC000852929029 588714000 /nfs/dbraw/zinc/71/40/00/588714000.db2.gz XBOPSXJDNHLAHZ-CYBMUJFWSA-N 1 3 233.315 0.627 20 0 BCADHO C/C=C\C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346361 588828515 /nfs/dbraw/zinc/82/85/15/588828515.db2.gz YMBGPCASLKNAFQ-VFFGBVLKSA-N 1 3 241.379 0.951 20 0 BCADHO C/C=C\C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346361 588828516 /nfs/dbraw/zinc/82/85/16/588828516.db2.gz YMBGPCASLKNAFQ-VFFGBVLKSA-N 1 3 241.379 0.951 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N1CCNCCC12CCC2 ZINC000892063546 582780220 /nfs/dbraw/zinc/78/02/20/582780220.db2.gz MSWSPEXRROTSJS-SNVBAGLBSA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H]1C[C@@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000892673849 582948782 /nfs/dbraw/zinc/94/87/82/582948782.db2.gz OZRBUSACYUMDJV-PWSUYJOCSA-N 1 3 235.331 0.890 20 0 BCADHO C[C@@H]1C[C@@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000892673849 582948784 /nfs/dbraw/zinc/94/87/84/582948784.db2.gz OZRBUSACYUMDJV-PWSUYJOCSA-N 1 3 235.331 0.890 20 0 BCADHO CNC(=O)[C@@H]([NH2+]CC1CCN(C)CC1)C(C)C ZINC000893190659 583068186 /nfs/dbraw/zinc/06/81/86/583068186.db2.gz KCUCIWOOZFDVCD-LBPRGKRZSA-N 1 3 241.379 0.688 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CCCCC[NH3+] ZINC000224044388 583182797 /nfs/dbraw/zinc/18/27/97/583182797.db2.gz ZNIQKAGSKARXSC-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@@H]2COCCO2)CC1(C)C ZINC000858100891 583214390 /nfs/dbraw/zinc/21/43/90/583214390.db2.gz QZMVEKFJSHHAJT-VXGBXAGGSA-N 1 3 242.363 0.864 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@@H]2COCCO2)CC1(C)C ZINC000858100891 583214391 /nfs/dbraw/zinc/21/43/91/583214391.db2.gz QZMVEKFJSHHAJT-VXGBXAGGSA-N 1 3 242.363 0.864 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@]2(F)CCNC2)CC1 ZINC000877178977 583300376 /nfs/dbraw/zinc/30/03/76/583300376.db2.gz GGFAUUXAWBYRAW-NHCYSSNCSA-N 1 3 243.326 0.322 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C[C@@H]1C[NH3+] ZINC000841857260 583438584 /nfs/dbraw/zinc/43/85/84/583438584.db2.gz SONJYSRJRNCDAG-SCVCMEIPSA-N 1 3 243.326 0.131 20 0 BCADHO CN1CCC(C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000895087344 583584755 /nfs/dbraw/zinc/58/47/55/583584755.db2.gz IPMJNVMCUJIHDP-UHFFFAOYSA-N 1 3 225.336 0.135 20 0 BCADHO C[NH+]1CCC(CN2CC(C)(C(N)=O)C2)CC1 ZINC000895087344 583584756 /nfs/dbraw/zinc/58/47/56/583584756.db2.gz IPMJNVMCUJIHDP-UHFFFAOYSA-N 1 3 225.336 0.135 20 0 BCADHO CCN1CC[C@@H]1CNc1cc[nH+]cc1CO ZINC000895162552 583610806 /nfs/dbraw/zinc/61/08/06/583610806.db2.gz WXLONYLTSIXOAO-LLVKDONJSA-N 1 3 221.304 0.502 20 0 BCADHO C[C@@H](CC[NH2+][C@@H]1CCNC(=O)CC1)N(C)C ZINC000895294607 583638454 /nfs/dbraw/zinc/63/84/54/583638454.db2.gz XICNRTAJMDHIAV-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC(=O)OC[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895429520 583668974 /nfs/dbraw/zinc/66/89/74/583668974.db2.gz OYWDBSPUKIIFAD-NXEZZACHSA-N 1 3 216.325 0.868 20 0 BCADHO CCO[C@H](CNC[C@@H](OC)C1CC1)C[NH+](C)C ZINC000896876248 583844198 /nfs/dbraw/zinc/84/41/98/583844198.db2.gz CNHJURCBZOHIMO-CHWSQXEVSA-N 1 3 244.379 0.968 20 0 BCADHO C[N@@H+]1CC[C@H](N[C@@H]2CC[C@H]2O)CC1(C)C ZINC000858183042 588937573 /nfs/dbraw/zinc/93/75/73/588937573.db2.gz RANWUSCPMQQYLQ-HBNTYKKESA-N 1 3 212.337 0.972 20 0 BCADHO C[N@H+]1CC[C@H](N[C@@H]2CC[C@H]2O)CC1(C)C ZINC000858183042 588937574 /nfs/dbraw/zinc/93/75/74/588937574.db2.gz RANWUSCPMQQYLQ-HBNTYKKESA-N 1 3 212.337 0.972 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981532 583932945 /nfs/dbraw/zinc/93/29/45/583932945.db2.gz JGKAZQOBRMKGBL-UTUOFQBUSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981532 583932948 /nfs/dbraw/zinc/93/29/48/583932948.db2.gz JGKAZQOBRMKGBL-UTUOFQBUSA-N 1 3 239.363 0.522 20 0 BCADHO CN1CCC[C@@H]1C(=O)N(CC[NH+](C)C)C1CC1 ZINC000897423683 583964694 /nfs/dbraw/zinc/96/46/94/583964694.db2.gz RKKPYAAXZUWIKM-GFCCVEGCSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](N)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899742470 584234658 /nfs/dbraw/zinc/23/46/58/584234658.db2.gz XXJJYLBJHXLDMX-ZJUUUORDSA-N 1 3 223.324 0.688 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000900831618 584354699 /nfs/dbraw/zinc/35/46/99/584354699.db2.gz KCEDLNMJVPFPHL-SRVKXCTJSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000900831618 584354701 /nfs/dbraw/zinc/35/47/01/584354701.db2.gz KCEDLNMJVPFPHL-SRVKXCTJSA-N 1 3 241.379 0.926 20 0 BCADHO CN(C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000900926989 584366470 /nfs/dbraw/zinc/36/64/70/584366470.db2.gz LMHFFKWRGPSDRW-UHFFFAOYSA-N 1 3 225.336 0.102 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2COCCO2)C1 ZINC000902319801 584551476 /nfs/dbraw/zinc/55/14/76/584551476.db2.gz NCMQKQBHCFAKCD-RYUDHWBXSA-N 1 3 242.363 0.770 20 0 BCADHO CN(C)C[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365344 584573080 /nfs/dbraw/zinc/57/30/80/584573080.db2.gz ZGRIWBZLOIEINE-NWDGAFQWSA-N 1 3 243.395 0.277 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383200 584576818 /nfs/dbraw/zinc/57/68/18/584576818.db2.gz CZCZNKOSSVGNSW-WDEREUQCSA-N 1 3 230.352 0.362 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC[C@H]2CNCCO2)C1 ZINC000902394299 584584185 /nfs/dbraw/zinc/58/41/85/584584185.db2.gz UPPZYNJZCZDJJC-VXGBXAGGSA-N 1 3 241.379 0.343 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@H]1C[NH2+]CC1(C)C ZINC000902444835 584599192 /nfs/dbraw/zinc/59/91/92/584599192.db2.gz OTRYQAIEPKNACI-WOPDTQHZSA-N 1 3 241.379 0.341 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902515178 584629617 /nfs/dbraw/zinc/62/96/17/584629617.db2.gz SYTZTTPEDPDUTP-ZDEQEGDKSA-N 1 3 242.363 0.504 20 0 BCADHO C[C@H](CN[C@H]1CCO[C@]12CCOC2)C[NH+](C)C ZINC000903174916 584732722 /nfs/dbraw/zinc/73/27/22/584732722.db2.gz PCQOAVXWYSIPCX-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C)CC1(C)C ZINC000903464395 584767719 /nfs/dbraw/zinc/76/77/19/584767719.db2.gz LRVNQRFZYRGMNE-NEPJUHHUSA-N 1 3 225.380 0.868 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(F)F)CC2)C1 ZINC000903442619 584768160 /nfs/dbraw/zinc/76/81/60/584768160.db2.gz UTIHGHOLICNGGL-WDEREUQCSA-N 1 3 247.333 0.997 20 0 BCADHO COC[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000903456689 584773813 /nfs/dbraw/zinc/77/38/13/584773813.db2.gz IXWFPKSULUJNRC-NDBYEHHHSA-N 1 3 242.363 0.850 20 0 BCADHO F[C@@H]1CN[C@H](CN[C@H]2CC[NH2+]C23CCC3)C1 ZINC000903471468 584775167 /nfs/dbraw/zinc/77/51/67/584775167.db2.gz JOXPCUMWVNFELI-DCAQKATOSA-N 1 3 227.327 0.561 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCCn3nncc3C2)C1 ZINC000903482205 584778570 /nfs/dbraw/zinc/77/85/70/584778570.db2.gz ZGTDLDGCPFATNO-WDEREUQCSA-N 1 3 235.335 0.611 20 0 BCADHO CON1CC[C@H](N(C)CCCCCC[NH3+])C1=O ZINC000903482692 584778660 /nfs/dbraw/zinc/77/86/60/584778660.db2.gz PEXASRWXNKYBHG-NSHDSACASA-N 1 3 243.351 0.600 20 0 BCADHO CC1(C)CN(C[C@@H]2CCC3(CNC3)O2)C[C@H]1[NH3+] ZINC000903557321 584783005 /nfs/dbraw/zinc/78/30/05/584783005.db2.gz NORLXDQPGZVJNM-WDEREUQCSA-N 1 3 239.363 0.177 20 0 BCADHO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000903729721 584792950 /nfs/dbraw/zinc/79/29/50/584792950.db2.gz RHFQPHXWUQSNFW-FRRDWIJNSA-N 1 3 240.347 0.476 20 0 BCADHO O[C@@H]1CCN(CC2CC[NH2+]CC2)C[C@H]1F ZINC000903712927 584793430 /nfs/dbraw/zinc/79/34/30/584793430.db2.gz VPNAACSISLSICX-GHMZBOCLSA-N 1 3 216.300 0.391 20 0 BCADHO O[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903763005 584797470 /nfs/dbraw/zinc/79/74/70/584797470.db2.gz GORKFAZZJOEQJS-UPJWGTAASA-N 1 3 240.347 0.212 20 0 BCADHO CC[C@H](O)CN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805085 584803039 /nfs/dbraw/zinc/80/30/39/584803039.db2.gz LPZZGDBSZHLXNN-SDDRHHMPSA-N 1 3 212.337 0.961 20 0 BCADHO N[C@@H]1c2ccccc2C[C@H]1NCCC[NH3+] ZINC000903819866 584803514 /nfs/dbraw/zinc/80/35/14/584803514.db2.gz PAANNYZRHIOYNG-VXGBXAGGSA-N 1 3 205.305 0.550 20 0 BCADHO OCC[C@H]1COCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903830192 584805425 /nfs/dbraw/zinc/80/54/25/584805425.db2.gz VWRAMKHXQJUUNR-RYUDHWBXSA-N 1 3 228.336 0.069 20 0 BCADHO C[C@H]1CSCCCN1CCN1CC[NH2+]CC1 ZINC000903829390 584805539 /nfs/dbraw/zinc/80/55/39/584805539.db2.gz FQEDSPQLXKTIPM-LBPRGKRZSA-N 1 3 243.420 0.719 20 0 BCADHO O=C1CCN(C[C@@H]2CC[NH2+]C2)CCCCCN1 ZINC000903830349 584805608 /nfs/dbraw/zinc/80/56/08/584805608.db2.gz ZQIRDUYWPMYLIE-GFCCVEGCSA-N 1 3 239.363 0.588 20 0 BCADHO OCC[C@@H]1COCCN1CC[C@H]1CC[NH2+]C1 ZINC000903830193 584805675 /nfs/dbraw/zinc/80/56/75/584805675.db2.gz VWRAMKHXQJUUNR-VXGBXAGGSA-N 1 3 228.336 0.069 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCc1cn[nH]c1)C2 ZINC000903838235 584806682 /nfs/dbraw/zinc/80/66/82/584806682.db2.gz ABWBMJOBXXTNQP-TUAOUCFPSA-N 1 3 220.320 0.764 20 0 BCADHO CC[C@H]1C(=O)NCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903882576 584818344 /nfs/dbraw/zinc/81/83/44/584818344.db2.gz OFNCKWUQBYERRL-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO COCC(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC000903899779 584820655 /nfs/dbraw/zinc/82/06/55/584820655.db2.gz UXBHPWLXVZKPHI-ZETCQYMHSA-N 1 3 210.268 0.984 20 0 BCADHO C[C@@H](O)C(C)(C)NC[C@H]([NH3+])CC(F)F ZINC000903902525 584820989 /nfs/dbraw/zinc/82/09/89/584820989.db2.gz IPNRQNPAFGEOAW-RNFRBKRXSA-N 1 3 210.268 0.718 20 0 BCADHO C[C@H](O)C(C)(C)NC[C@@H]([NH3+])CC(F)F ZINC000903902523 584821061 /nfs/dbraw/zinc/82/10/61/584821061.db2.gz IPNRQNPAFGEOAW-BQBZGAKWSA-N 1 3 210.268 0.718 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](N)CC(F)F)C1 ZINC000903910563 584821480 /nfs/dbraw/zinc/82/14/80/584821480.db2.gz NWQFINJPISGBOC-GMSGAONNSA-N 1 3 235.278 0.166 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@H](N)CC(F)F)C1 ZINC000903910563 584821481 /nfs/dbraw/zinc/82/14/81/584821481.db2.gz NWQFINJPISGBOC-GMSGAONNSA-N 1 3 235.278 0.166 20 0 BCADHO CC(C)(C)[C@H](CO)NC[C@H]([NH3+])CC(F)F ZINC000903908580 584821512 /nfs/dbraw/zinc/82/15/12/584821512.db2.gz LKUSYMBYHUJDKE-SFYZADRCSA-N 1 3 224.295 0.966 20 0 BCADHO [NH3+][C@H](CN[C@H]1CNCCC1(F)F)CC(F)F ZINC000903918631 584822578 /nfs/dbraw/zinc/82/25/78/584822578.db2.gz DAPKAFVMVNNXIR-BQBZGAKWSA-N 1 3 243.248 0.556 20 0 BCADHO [NH3+][C@H](CN[C@@H]1CNCCC1(F)F)CC(F)F ZINC000903918632 584822774 /nfs/dbraw/zinc/82/27/74/584822774.db2.gz DAPKAFVMVNNXIR-NKWVEPMBSA-N 1 3 243.248 0.556 20 0 BCADHO COC(=O)C(C)(C)CNC[C@@H]([NH3+])CC(F)F ZINC000903928393 584824123 /nfs/dbraw/zinc/82/41/23/584824123.db2.gz YKEZYCNPDZACJM-ZETCQYMHSA-N 1 3 238.278 0.758 20 0 BCADHO COC[C@H]([NH2+]C1CCNCC1)[C@H]1CCCOC1 ZINC000903960167 584827912 /nfs/dbraw/zinc/82/79/12/584827912.db2.gz YDESOCUDDZHSJX-AAEUAGOBSA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@H](NC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903960167 584827913 /nfs/dbraw/zinc/82/79/13/584827913.db2.gz YDESOCUDDZHSJX-AAEUAGOBSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@H]1C[C@@H](CN2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951353 584830545 /nfs/dbraw/zinc/83/05/45/584830545.db2.gz WPGQUQMRBSIZJC-RYUDHWBXSA-N 1 3 249.362 0.872 20 0 BCADHO C[C@]1(CNCc2cc(N)ccn2)CC[NH2+]C1 ZINC000903953857 584831670 /nfs/dbraw/zinc/83/16/70/584831670.db2.gz LYRNPPXKPMTHTC-LBPRGKRZSA-N 1 3 220.320 0.753 20 0 BCADHO COC(=O)[C@@H]1CCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904307857 584862823 /nfs/dbraw/zinc/86/28/23/584862823.db2.gz XJVCSUOIMRQLAM-AEJSXWLSSA-N 1 3 212.293 0.361 20 0 BCADHO CC(C)[C@@H]1C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904316447 584863152 /nfs/dbraw/zinc/86/31/52/584863152.db2.gz PMSNUZVRVPJZPP-OUAUKWLOSA-N 1 3 225.336 0.180 20 0 BCADHO CCCN(CC(=O)N(C)C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313573 584863267 /nfs/dbraw/zinc/86/32/67/584863267.db2.gz WOIPXGGINWRZFY-PHIMTYICSA-N 1 3 227.352 0.524 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCN3C(=O)CC[C@@H]3C2)C1 ZINC000904336905 584863379 /nfs/dbraw/zinc/86/33/79/584863379.db2.gz XXRCUDODJAVWSJ-OUAUKWLOSA-N 1 3 223.320 0.030 20 0 BCADHO CCC(=O)N1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904313697 584863495 /nfs/dbraw/zinc/86/34/95/584863495.db2.gz XVRJMIDORKDZIG-TXEJJXNPSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C(N)=O)C1 ZINC000904340153 584866535 /nfs/dbraw/zinc/86/65/35/584866535.db2.gz FEEBGGWRLBBDJH-UKKRHICBSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C(N)=O)C1 ZINC000904340152 584866612 /nfs/dbraw/zinc/86/66/12/584866612.db2.gz FEEBGGWRLBBDJH-MMWGEVLESA-N 1 3 225.336 0.310 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCNC[C@H]2c2cccnc2)C1 ZINC000904334010 584866790 /nfs/dbraw/zinc/86/67/90/584866790.db2.gz JEAQXFBBZQRKDU-YUTCNCBUSA-N 1 3 246.358 0.765 20 0 BCADHO COC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000904342291 584867274 /nfs/dbraw/zinc/86/72/74/584867274.db2.gz CEMPNPIHEGGIOL-WYUUTHIRSA-N 1 3 228.336 0.459 20 0 BCADHO COC(=O)C1(CNC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904369054 584872644 /nfs/dbraw/zinc/87/26/44/584872644.db2.gz QPFDWUYVZYNODQ-LBPRGKRZSA-N 1 3 240.347 0.919 20 0 BCADHO COC(=O)C1(C[NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000904369054 584872645 /nfs/dbraw/zinc/87/26/45/584872645.db2.gz QPFDWUYVZYNODQ-LBPRGKRZSA-N 1 3 240.347 0.919 20 0 BCADHO [NH3+]Cc1ccc(CNC[C@H]2CNCCO2)cc1 ZINC000904371681 584873334 /nfs/dbraw/zinc/87/33/34/584873334.db2.gz QYKLLMGGYWXUJM-CYBMUJFWSA-N 1 3 235.331 0.223 20 0 BCADHO C[C@@]1(CNCCn2ccnc2)CCC[NH2+]C1 ZINC000904365295 584874983 /nfs/dbraw/zinc/87/49/83/584874983.db2.gz YNPGQLXNWTYTCS-GFCCVEGCSA-N 1 3 222.336 0.862 20 0 BCADHO C[C@@]1(C[NH2+]CCn2ccnc2)CCCNC1 ZINC000904365295 584874985 /nfs/dbraw/zinc/87/49/85/584874985.db2.gz YNPGQLXNWTYTCS-GFCCVEGCSA-N 1 3 222.336 0.862 20 0 BCADHO Nc1ccnc(CNC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000904385673 584878170 /nfs/dbraw/zinc/87/81/70/584878170.db2.gz BKMYJVOPTKYEBA-WAAGHKOSSA-N 1 3 206.293 0.491 20 0 BCADHO [NH3+]CC[C@H]1CCN(Cc2cnc3cnccn23)C1 ZINC000904405607 584878398 /nfs/dbraw/zinc/87/83/98/584878398.db2.gz KNQDSGQHINMIHY-NSHDSACASA-N 1 3 245.330 0.900 20 0 BCADHO CN(C)c1ncc(CN2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406018 584878475 /nfs/dbraw/zinc/87/84/75/584878475.db2.gz NNNAVSPWVJMDFK-NSHDSACASA-N 1 3 249.362 0.713 20 0 BCADHO Nc1ccc(CN2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406976 584878682 /nfs/dbraw/zinc/87/86/82/584878682.db2.gz ZHRZLJDLFSGSKF-SNVBAGLBSA-N 1 3 220.320 0.835 20 0 BCADHO Nc1ncc(CN2CC[C@H](CC[NH3+])C2)s1 ZINC000904407274 584879273 /nfs/dbraw/zinc/87/92/73/584879273.db2.gz SCKSREYESREWAC-QMMMGPOBSA-N 1 3 226.349 0.896 20 0 BCADHO C[C@H]1CN(Cc2cnc(N)cn2)CC[C@@H]1C[NH3+] ZINC000904409843 584879355 /nfs/dbraw/zinc/87/93/55/584879355.db2.gz JSIHHBJGDZLGKL-VHSXEESVSA-N 1 3 235.335 0.476 20 0 BCADHO C(C[N@@H+]1C[C@@H]2CCNC[C@@H]2C1)[C@H]1CCOC1 ZINC000904420214 584882304 /nfs/dbraw/zinc/88/23/04/584882304.db2.gz GTYXPTWUAJDRRU-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO C(C[N@H+]1C[C@@H]2CCNC[C@@H]2C1)[C@H]1CCOC1 ZINC000904420214 584882305 /nfs/dbraw/zinc/88/23/05/584882305.db2.gz GTYXPTWUAJDRRU-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000876506677 584885760 /nfs/dbraw/zinc/88/57/60/584885760.db2.gz XMXDPGJHBPPYQV-QMAVJUDZSA-N 1 3 237.347 0.364 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)CN1 ZINC000876796551 584887263 /nfs/dbraw/zinc/88/72/63/584887263.db2.gz GEXRNXRYDWKHHW-XGEHTFHBSA-N 1 3 247.289 0.035 20 0 BCADHO CCCN(C(=O)[C@H](N)CC1CC1)[C@@H]1CC[NH2+]C1 ZINC000884026632 584901062 /nfs/dbraw/zinc/90/10/62/584901062.db2.gz IGWWIRCWJHDMKB-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO COCC[C@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000884034739 584939499 /nfs/dbraw/zinc/93/94/99/584939499.db2.gz KSSMFPDOOFJNRY-JQWIXIFHSA-N 1 3 245.367 0.230 20 0 BCADHO CC[C@@]1(C(=O)NC[C@H](C)N(C)C)CCC[NH2+]1 ZINC000215297133 584953461 /nfs/dbraw/zinc/95/34/61/584953461.db2.gz MWEUWSNVIVAGAM-JQWIXIFHSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH+](C)C ZINC000763025429 585441656 /nfs/dbraw/zinc/44/16/56/585441656.db2.gz RXEUPTRENGUGRY-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000788327754 585922057 /nfs/dbraw/zinc/92/20/57/585922057.db2.gz RNQPHYPHRGVPAM-NEPJUHHUSA-N 1 3 235.331 0.973 20 0 BCADHO CC(C)N(CC(N)=O)CC1CC[NH+](C)CC1 ZINC000788467934 585924851 /nfs/dbraw/zinc/92/48/51/585924851.db2.gz BNPWOLDAKBWFSZ-UHFFFAOYSA-N 1 3 227.352 0.524 20 0 BCADHO Cn1cc(CC[N@H+]2CC[C@]3(CCN(C)C3)C2)nn1 ZINC000859313986 589030534 /nfs/dbraw/zinc/03/05/34/589030534.db2.gz AAQIGHVGVOPING-ZDUSSCGKSA-N 1 3 249.362 0.385 20 0 BCADHO Cn1cc(CC[N@@H+]2CC[C@]3(CCN(C)C3)C2)nn1 ZINC000859313986 589030536 /nfs/dbraw/zinc/03/05/36/589030536.db2.gz AAQIGHVGVOPING-ZDUSSCGKSA-N 1 3 249.362 0.385 20 0 BCADHO CC1(C[NH2+][C@H]2CCCCC[C@H]2N)OCCO1 ZINC000817918235 586832415 /nfs/dbraw/zinc/83/24/15/586832415.db2.gz XHHATTIVGBLZOD-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO CC(C)C[C@H](O)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000817906360 586836833 /nfs/dbraw/zinc/83/68/33/586836833.db2.gz YQEXRAIZUIPZJI-DCAQKATOSA-N 1 3 200.326 0.863 20 0 BCADHO CN(C(=O)c1cccc(CN)c1)[C@H]1CC[NH2+]C1 ZINC000818547466 586898858 /nfs/dbraw/zinc/89/88/58/586898858.db2.gz VFJNZJKINZIEJK-LBPRGKRZSA-N 1 3 233.315 0.579 20 0 BCADHO CCNCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000818567791 586901888 /nfs/dbraw/zinc/90/18/88/586901888.db2.gz NGUHAOCEKZPNLP-UHFFFAOYSA-N 1 3 237.303 0.572 20 0 BCADHO CCNCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000818574778 586902905 /nfs/dbraw/zinc/90/29/05/586902905.db2.gz NHGGLNMNTDZECX-HBNTYKKESA-N 1 3 225.336 0.182 20 0 BCADHO CCNCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000818592369 586904097 /nfs/dbraw/zinc/90/40/97/586904097.db2.gz SMTSJTACQNORNB-LBPRGKRZSA-N 1 3 225.336 0.198 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612718 586905696 /nfs/dbraw/zinc/90/56/96/586905696.db2.gz UONDCSIEMUAFJN-MFKMUULPSA-N 1 3 237.347 0.339 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000819987115 587011268 /nfs/dbraw/zinc/01/12/68/587011268.db2.gz OSJMILLESCOLKD-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cnnn1C ZINC000820810562 587074021 /nfs/dbraw/zinc/07/40/21/587074021.db2.gz ZGQDMIZZSQRFAT-QWRGUYRKSA-N 1 3 237.351 0.808 20 0 BCADHO CN(CC1CN(C)C1)C(=O)C[NH+]1CCCC1 ZINC000824496388 587272058 /nfs/dbraw/zinc/27/20/58/587272058.db2.gz MMHYHUMIZYXUJD-UHFFFAOYSA-N 1 3 225.336 0.102 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)CCC[NH3+] ZINC000831970598 587640228 /nfs/dbraw/zinc/64/02/28/587640228.db2.gz JHQJIVLZYMIHQF-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CCC[C@@H]1C ZINC000831970425 587640652 /nfs/dbraw/zinc/64/06/52/587640652.db2.gz HCLPMCACEOCPSV-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)CC1([NH3+])CCC1 ZINC000831970404 587640716 /nfs/dbraw/zinc/64/07/16/587640716.db2.gz GBNZTTYDJVUGJF-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCC[C@H]1C ZINC000831971450 587640790 /nfs/dbraw/zinc/64/07/90/587640790.db2.gz XTEBOWQVAWXULC-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)CCCC[NH3+] ZINC000831970289 587640840 /nfs/dbraw/zinc/64/08/40/587640840.db2.gz BROFNXQTAJNSQU-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000831970841 587640865 /nfs/dbraw/zinc/64/08/65/587640865.db2.gz NBMRSLMHUYIKQN-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CN(C)CCN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000832157916 587647117 /nfs/dbraw/zinc/64/71/17/587647117.db2.gz FEYSHOROISPKNC-GFCCVEGCSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832603864 587668514 /nfs/dbraw/zinc/66/85/14/587668514.db2.gz POPDKQVFQDTEDS-MRVPVSSYSA-N 1 3 223.276 0.310 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000834582551 587759874 /nfs/dbraw/zinc/75/98/74/587759874.db2.gz SDAMUXYXMVTDTL-NXEZZACHSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000834608867 587760481 /nfs/dbraw/zinc/76/04/81/587760481.db2.gz ZFTKXBJLFQIMSS-QMMMGPOBSA-N 1 3 219.288 0.367 20 0 BCADHO CC1(C)CN(C(=O)CCCCC[NH3+])CCN1 ZINC000834865916 587768905 /nfs/dbraw/zinc/76/89/05/587768905.db2.gz HTGJSEKSJSCKIZ-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@@](C)(CC(=O)OC)NCCC[NH3+] ZINC000841011273 587935548 /nfs/dbraw/zinc/93/55/48/587935548.db2.gz GTSTWGRCUYBAOL-JTQLQIEISA-N 1 3 202.298 0.657 20 0 BCADHO CC[C@@](C)(CC(=O)OC)[NH2+]CCCN ZINC000841011273 587935551 /nfs/dbraw/zinc/93/55/51/587935551.db2.gz GTSTWGRCUYBAOL-JTQLQIEISA-N 1 3 202.298 0.657 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000841851806 587976057 /nfs/dbraw/zinc/97/60/57/587976057.db2.gz XXJVCQKCBQRKEP-ZYHUDNBSSA-N 1 3 243.326 0.418 20 0 BCADHO N[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000841848028 587977318 /nfs/dbraw/zinc/97/73/18/587977318.db2.gz QRLYAEBCOZGWPZ-OLZOCXBDSA-N 1 3 247.342 0.930 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841845692 587977357 /nfs/dbraw/zinc/97/73/57/587977357.db2.gz GDHLTXMXPXPDFP-MWLCHTKSSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@]1(CNC(=O)[C@]2(F)CCNC2)CCC[NH2+]C1 ZINC000841849977 587977991 /nfs/dbraw/zinc/97/79/91/587977991.db2.gz RYIJUJSCEGDCHE-NEPJUHHUSA-N 1 3 243.326 0.194 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841849147 587978050 /nfs/dbraw/zinc/97/80/50/587978050.db2.gz WRMMUPWADRVLIT-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000841851804 587978369 /nfs/dbraw/zinc/97/83/69/587978369.db2.gz XXJVCQKCBQRKEP-JQWIXIFHSA-N 1 3 243.326 0.418 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(CN)c1 ZINC000841851757 587978403 /nfs/dbraw/zinc/97/84/03/587978403.db2.gz PHDDUNVHMZVMTM-GXFFZTMASA-N 1 3 247.342 0.873 20 0 BCADHO CNCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327338 588100331 /nfs/dbraw/zinc/10/03/31/588100331.db2.gz GZKNSGBCDHSZNH-UHFFFAOYSA-N 1 3 221.304 0.023 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000843455837 588111717 /nfs/dbraw/zinc/11/17/17/588111717.db2.gz WMIRVVQPLDWRBK-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO CCNCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000843452711 588111756 /nfs/dbraw/zinc/11/17/56/588111756.db2.gz MCMWTQLGTRZFHC-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO [NH3+]CCCCCCNC(=O)CNC1CC1 ZINC000843512765 588117940 /nfs/dbraw/zinc/11/79/40/588117940.db2.gz PPVMANMCVFSCMQ-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CCNCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000844176474 588172389 /nfs/dbraw/zinc/17/23/89/588172389.db2.gz TTXVEWSWKZPPJY-JTQLQIEISA-N 1 3 213.325 0.052 20 0 BCADHO CC[NH2+]CC(=O)NCCN1CCCC[C@H]1C ZINC000844172514 588170648 /nfs/dbraw/zinc/17/06/48/588170648.db2.gz VAYWKUSLLYDSGY-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CC[NH2+]CC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000844170963 588171755 /nfs/dbraw/zinc/17/17/55/588171755.db2.gz OLIWZJGCGSXKGE-LLVKDONJSA-N 1 3 245.392 0.149 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000844171894 588172061 /nfs/dbraw/zinc/17/20/61/588172061.db2.gz NZKAGLHUEIZYBR-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000844171894 588172063 /nfs/dbraw/zinc/17/20/63/588172063.db2.gz NZKAGLHUEIZYBR-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+]CC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000844183049 588172264 /nfs/dbraw/zinc/17/22/64/588172264.db2.gz ONGXFOVZEZVKJO-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO CCNCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000844175159 588172473 /nfs/dbraw/zinc/17/24/73/588172473.db2.gz BSERAGHKKXYGRD-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000844175159 588172474 /nfs/dbraw/zinc/17/24/74/588172474.db2.gz BSERAGHKKXYGRD-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000846694222 588283144 /nfs/dbraw/zinc/28/31/44/588283144.db2.gz UFVPIQQRSZBGKP-UHFFFAOYSA-N 1 3 239.294 0.510 20 0 BCADHO [NH3+]CCC1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000846699713 588283354 /nfs/dbraw/zinc/28/33/54/588283354.db2.gz QCVNZIZDDGVKMO-LBPRGKRZSA-N 1 3 243.326 0.275 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848720948 588408235 /nfs/dbraw/zinc/40/82/35/588408235.db2.gz FNCVICHUNBXJAW-AXFHLTTASA-N 1 3 239.319 0.439 20 0 BCADHO Cn1ncc(CCC[NH2+][C@H]2CCC[C@@H](N)C2)n1 ZINC000848720089 588408372 /nfs/dbraw/zinc/40/83/72/588408372.db2.gz JIBURTSHDGXDAR-MNOVXSKESA-N 1 3 237.351 0.607 20 0 BCADHO Cn1ncc(CCCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000848720089 588408374 /nfs/dbraw/zinc/40/83/74/588408374.db2.gz JIBURTSHDGXDAR-MNOVXSKESA-N 1 3 237.351 0.607 20 0 BCADHO C[C@H]1CN(C(=[NH2+])NCCCN(C)C)CCO1 ZINC000848980348 588423328 /nfs/dbraw/zinc/42/33/28/588423328.db2.gz CURURELPJJELQL-JTQLQIEISA-N 1 3 228.340 0.183 20 0 BCADHO [NH2+]=C(NCCCN1CCC(O)CC1)N1CCC1 ZINC000848987939 588426129 /nfs/dbraw/zinc/42/61/29/588426129.db2.gz QURWYRUBJINTGN-UHFFFAOYSA-N 1 3 240.351 0.063 20 0 BCADHO CCNC(=[NH2+])NCCCCN1CCN(C)CC1 ZINC000848989600 588426831 /nfs/dbraw/zinc/42/68/31/588426831.db2.gz ZGCSRAJOLXMTBF-UHFFFAOYSA-N 1 3 241.383 0.148 20 0 BCADHO CC(C)NC(=[NH2+])NCCNc1ccncc1 ZINC000848995201 588428653 /nfs/dbraw/zinc/42/86/53/588428653.db2.gz DRVOAYNNTSBLSA-UHFFFAOYSA-N 1 3 221.308 0.438 20 0 BCADHO CC(C)CCNC(=[NH2+])NC[C@]1(O)CCN(C)C1 ZINC000849019146 588438115 /nfs/dbraw/zinc/43/81/15/588438115.db2.gz LNBOYCVUQJNOAB-GFCCVEGCSA-N 1 3 242.367 0.213 20 0 BCADHO CC(C)CCNC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000849019147 588438268 /nfs/dbraw/zinc/43/82/68/588438268.db2.gz LNBOYCVUQJNOAB-LBPRGKRZSA-N 1 3 242.367 0.213 20 0 BCADHO CCCN1CCC[C@H]1CNC(=[NH2+])NCC ZINC000849027720 588441272 /nfs/dbraw/zinc/44/12/72/588441272.db2.gz ITWVNCZPCNGBPM-JTQLQIEISA-N 1 3 212.341 0.995 20 0 BCADHO C[C@@H](CNC(=[NH2+])N1CCSCC1)CN(C)C ZINC000849030712 588442678 /nfs/dbraw/zinc/44/26/78/588442678.db2.gz TYVKCAAXNFRNIT-JTQLQIEISA-N 1 3 244.408 0.757 20 0 BCADHO C[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)CN(C)C ZINC000849030822 588442707 /nfs/dbraw/zinc/44/27/07/588442707.db2.gz YEWQQFVSWBTXGE-QWRGUYRKSA-N 1 3 242.367 0.429 20 0 BCADHO C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)CN(C)C ZINC000849030611 588442875 /nfs/dbraw/zinc/44/28/75/588442875.db2.gz PPDGJXMARSEIFF-WDEREUQCSA-N 1 3 242.367 0.477 20 0 BCADHO CN(C)CCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000849137943 588454490 /nfs/dbraw/zinc/45/44/90/588454490.db2.gz UYKNFCDSFZSYMC-NSHDSACASA-N 1 3 237.351 0.382 20 0 BCADHO COCCN(C)CCCNC1=[NH+]CCCCN1 ZINC000849215578 588462430 /nfs/dbraw/zinc/46/24/30/588462430.db2.gz RIRMEOCJXQYPCI-UHFFFAOYSA-N 1 3 242.367 0.284 20 0 BCADHO C[C@H](CCNC(=S)NCCN(C)C)[NH+](C)C ZINC000849279838 588469227 /nfs/dbraw/zinc/46/92/27/588469227.db2.gz IVRGCOLLAXYJKC-SNVBAGLBSA-N 1 3 246.424 0.352 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)CC[NH2+]C)C1 ZINC000851676745 588614596 /nfs/dbraw/zinc/61/45/96/588614596.db2.gz MHHJNKSVJAMIOA-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CC1(C)OC[C@H](CCN2C[C@@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732059 588619428 /nfs/dbraw/zinc/61/94/28/588619428.db2.gz IJIOPNDIZDYLJZ-SRVKXCTJSA-N 1 3 240.347 0.679 20 0 BCADHO CC1(C)OC[C@@H](CCN2C[C@H]3C[NH2+]C[C@H]3C2)O1 ZINC000851732058 588619527 /nfs/dbraw/zinc/61/95/27/588619527.db2.gz IJIOPNDIZDYLJZ-GRYCIOLGSA-N 1 3 240.347 0.679 20 0 BCADHO COC(=O)[C@]1(F)CCN(CC2CC[NH2+]CC2)C1 ZINC000852729276 588698443 /nfs/dbraw/zinc/69/84/43/588698443.db2.gz CITRPIIIYSJFGJ-LBPRGKRZSA-N 1 3 244.310 0.573 20 0 BCADHO COC(=O)[C@@]1(F)CCN(CC2CC[NH2+]CC2)C1 ZINC000852729275 588698545 /nfs/dbraw/zinc/69/85/45/588698545.db2.gz CITRPIIIYSJFGJ-GFCCVEGCSA-N 1 3 244.310 0.573 20 0 BCADHO FC(F)OCCN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000852750357 588700287 /nfs/dbraw/zinc/70/02/87/588700287.db2.gz RMJDFJLNFSRBJD-JTQLQIEISA-N 1 3 249.305 0.205 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000852842537 588705913 /nfs/dbraw/zinc/70/59/13/588705913.db2.gz XQWOVEVMHXPRTK-QMMMGPOBSA-N 1 3 213.325 0.323 20 0 BCADHO O=C([C@H]1[NH2+]CC12CCCC2)N1CCCNCC1 ZINC000852826755 588706033 /nfs/dbraw/zinc/70/60/33/588706033.db2.gz XOIAEOLMSXAZHX-LLVKDONJSA-N 1 3 237.347 0.341 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)[C@H]1NCC12CCCC2 ZINC000852825150 588706062 /nfs/dbraw/zinc/70/60/62/588706062.db2.gz LAEJAXIMPUQZDT-GHMZBOCLSA-N 1 3 237.347 0.387 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000852830702 588706635 /nfs/dbraw/zinc/70/66/35/588706635.db2.gz JGLPMADWKUVLIF-QMMMGPOBSA-N 1 3 219.288 0.367 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000852851841 588708269 /nfs/dbraw/zinc/70/82/69/588708269.db2.gz JTYVYJATHUEAEX-VIFPVBQESA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)[C@H](C[NH3+])C1 ZINC000852863701 588709071 /nfs/dbraw/zinc/70/90/71/588709071.db2.gz QYHZYNMBHINLNG-SCVCMEIPSA-N 1 3 243.326 0.274 20 0 BCADHO CN1CCC[C@H](NC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852861817 588709259 /nfs/dbraw/zinc/70/92/59/588709259.db2.gz KJCRIWHHKKQERR-LBPRGKRZSA-N 1 3 237.347 0.507 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)c1cccc2c1CCNC2 ZINC000852880014 588710954 /nfs/dbraw/zinc/71/09/54/588710954.db2.gz ZIGBYTPQDFXHKZ-VIFPVBQESA-N 1 3 233.315 0.409 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000852900530 588712324 /nfs/dbraw/zinc/71/23/24/588712324.db2.gz XWAJWBRAHCKUJA-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000852900527 588712386 /nfs/dbraw/zinc/71/23/86/588712386.db2.gz XWAJWBRAHCKUJA-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CC[NH2+]CC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000852909787 588712811 /nfs/dbraw/zinc/71/28/11/588712811.db2.gz ADAPMMWITRUKIX-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCN1CCC(NC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861548620 589167601 /nfs/dbraw/zinc/16/76/01/589167601.db2.gz STBQOPZZUYBXEY-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)NC1CCN(C)CC1 ZINC000861548212 589167829 /nfs/dbraw/zinc/16/78/29/589167829.db2.gz ODHRGQCZDLNJME-SECBINFHSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000861591902 589169517 /nfs/dbraw/zinc/16/95/17/589169517.db2.gz BYIHQLLKWXGAEH-HBNTYKKESA-N 1 3 242.367 0.458 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000861591897 589169532 /nfs/dbraw/zinc/16/95/32/589169532.db2.gz BYIHQLLKWXGAEH-AXFHLTTASA-N 1 3 242.367 0.458 20 0 BCADHO O=CN1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000863541368 589297338 /nfs/dbraw/zinc/29/73/38/589297338.db2.gz HUVPZRTZOKAOCJ-LBPRGKRZSA-N 1 3 237.347 0.481 20 0 BCADHO [NH3+]C[C@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000866659490 589508053 /nfs/dbraw/zinc/50/80/53/589508053.db2.gz MNCCQHIUQCEIHX-MNOVXSKESA-N 1 3 235.335 0.436 20 0 BCADHO NC(=O)c1ccc(CCN2CC[C@H](C[NH3+])C2)cc1 ZINC000866659730 589508201 /nfs/dbraw/zinc/50/82/01/589508201.db2.gz SRHQIISFNQYQRD-GFCCVEGCSA-N 1 3 247.342 0.609 20 0 BCADHO CCNCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868005024 589543845 /nfs/dbraw/zinc/54/38/45/589543845.db2.gz GGEAAXDJKXGXQS-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO CC[C@H](C[NH+](C)C)OC(=O)C1CCN(C)C1=O ZINC000870553155 589674957 /nfs/dbraw/zinc/67/49/57/589674957.db2.gz HSEHGSSPIJECDO-NXEZZACHSA-N 1 3 242.319 0.348 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000870907545 589696074 /nfs/dbraw/zinc/69/60/74/589696074.db2.gz YVSGLVHKLAHNFD-KKZNHRDASA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870912407 589696421 /nfs/dbraw/zinc/69/64/21/589696421.db2.gz FWOBVXZMLSNFFR-WHOHXGKFSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870912406 589696466 /nfs/dbraw/zinc/69/64/66/589696466.db2.gz FWOBVXZMLSNFFR-USZNOCQGSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870968742 589702532 /nfs/dbraw/zinc/70/25/32/589702532.db2.gz CGBHZDHKDVFRCB-OPRDCNLKSA-N 1 3 213.325 0.213 20 0 BCADHO [NH3+][C@H]1C[C@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000870971994 589703573 /nfs/dbraw/zinc/70/35/73/589703573.db2.gz MZUMMMHJNRVBEG-GMZHKTEUSA-N 1 3 245.326 0.757 20 0 BCADHO O=C(CNC1CC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870977450 589704791 /nfs/dbraw/zinc/70/47/91/589704791.db2.gz GLJGSKPPTPPISC-YHPBZONMSA-N 1 3 237.347 0.385 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)CNC3CC3)CC[C@@H]21 ZINC000870982258 589705309 /nfs/dbraw/zinc/70/53/09/589705309.db2.gz MDIJDXXCWBHZIH-JQWIXIFHSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)CNC3CC3)CC[C@@H]21 ZINC000870982258 589705310 /nfs/dbraw/zinc/70/53/10/589705310.db2.gz MDIJDXXCWBHZIH-JQWIXIFHSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H](NC(=O)[C@@]1(F)CCNC1)C1CC[NH2+]CC1 ZINC000870983788 589705436 /nfs/dbraw/zinc/70/54/36/589705436.db2.gz APPTWGVIMFDSHY-BXKDBHETSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987032 589705998 /nfs/dbraw/zinc/70/59/98/589705998.db2.gz FQXKDLOUYLVATB-VHSXEESVSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870987031 589706257 /nfs/dbraw/zinc/70/62/57/589706257.db2.gz FQXKDLOUYLVATB-UWVGGRQHSA-N 1 3 239.363 0.631 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986540 589706320 /nfs/dbraw/zinc/70/63/20/589706320.db2.gz KZGCNKIZJAVCIS-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCN(CC)CCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000871966143 589848350 /nfs/dbraw/zinc/84/83/50/589848350.db2.gz XKCXKCFEUONRDD-LBPRGKRZSA-N 1 3 246.395 0.830 20 0 BCADHO COC(=O)CC[C@H]1CCC[N@H+](CCN)C1 ZINC000872153614 589885118 /nfs/dbraw/zinc/88/51/18/589885118.db2.gz DSJNWEIVCJXCNX-SNVBAGLBSA-N 1 3 214.309 0.610 20 0 BCADHO COC(=O)CC[C@H]1CCC[N@@H+](CCN)C1 ZINC000872153614 589885119 /nfs/dbraw/zinc/88/51/19/589885119.db2.gz DSJNWEIVCJXCNX-SNVBAGLBSA-N 1 3 214.309 0.610 20 0 BCADHO CN(CCCCCC[NH3+])CCc1nnnn1C ZINC000872155961 589886550 /nfs/dbraw/zinc/88/65/50/589886550.db2.gz BMEVEXWBLDBGNJ-UHFFFAOYSA-N 1 3 240.355 0.204 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872288510 589906248 /nfs/dbraw/zinc/90/62/48/589906248.db2.gz MUYLHURHHDPRIA-YHMTXAQFSA-N 1 3 237.347 0.323 20 0 BCADHO CC1(C)CCNCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000872290283 589906574 /nfs/dbraw/zinc/90/65/74/589906574.db2.gz LBYBRYLSBHPCRF-GFCCVEGCSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCNCCC1(C)C ZINC000872298892 589907925 /nfs/dbraw/zinc/90/79/25/589907925.db2.gz VWBRJNZJZASZHH-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCNCCC1(C)C ZINC000872297612 589907693 /nfs/dbraw/zinc/90/76/93/589907693.db2.gz SCCYJQWHAZQLGZ-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO Nc1cnc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000873210660 589995058 /nfs/dbraw/zinc/99/50/58/589995058.db2.gz NSDBYPFCARFRKI-UHFFFAOYSA-N 1 3 247.346 0.634 20 0 BCADHO Nc1cnc(CNCC[C@H]2CC[NH2+]C2)cn1 ZINC000873211092 589995755 /nfs/dbraw/zinc/99/57/55/589995755.db2.gz VBDHGIMHNBQOQK-SECBINFHSA-N 1 3 221.308 0.148 20 0 BCADHO [NH3+]CC1(CN[C@@H]2CNCCC2(F)F)CC1 ZINC000873212496 589995841 /nfs/dbraw/zinc/99/58/41/589995841.db2.gz MLBLVJNUXFGGMF-MRVPVSSYSA-N 1 3 219.279 0.312 20 0 BCADHO Nc1cnc(CNCC[C@@H]2CC[NH2+]C2)cn1 ZINC000873211093 589995953 /nfs/dbraw/zinc/99/59/53/589995953.db2.gz VBDHGIMHNBQOQK-VIFPVBQESA-N 1 3 221.308 0.148 20 0 BCADHO C[C@@H](C[NH3+])NCc1cc2c(s1)CCNC2 ZINC000873211856 589996448 /nfs/dbraw/zinc/99/64/48/589996448.db2.gz FKFBQSWCIDHRCW-QMMMGPOBSA-N 1 3 225.361 0.831 20 0 BCADHO C[C@]1(CN[C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC[NH2+]C1 ZINC000873217350 589997868 /nfs/dbraw/zinc/99/78/68/589997868.db2.gz JXCQXKMWVOLZKX-QQKNPXLJSA-N 1 3 236.359 0.999 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876538527 590211724 /nfs/dbraw/zinc/21/17/24/590211724.db2.gz SDQJFWFTDTWLGM-UWVGGRQHSA-N 1 3 243.326 0.144 20 0 BCADHO O=C(NCCN1CCCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876712532 590232739 /nfs/dbraw/zinc/23/27/39/590232739.db2.gz IQTYBIGAMJMRDU-GHMZBOCLSA-N 1 3 243.326 0.146 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876732608 590233952 /nfs/dbraw/zinc/23/39/52/590233952.db2.gz AWRGAOXEDCFLNT-VWYCJHECSA-N 1 3 239.363 0.570 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876732606 590234454 /nfs/dbraw/zinc/23/44/54/590234454.db2.gz AWRGAOXEDCFLNT-MXWKQRLJSA-N 1 3 239.363 0.570 20 0 BCADHO CN(CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)C1CC1 ZINC000876737455 590234782 /nfs/dbraw/zinc/23/47/82/590234782.db2.gz QWADFSUOYIZTLG-GXSJLCMTSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H]1NCCN(C(=O)CC[NH2+]CC2CC2)[C@@H]1C ZINC000876831259 590247495 /nfs/dbraw/zinc/24/74/95/590247495.db2.gz FCQFOPAIGDPKQR-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCN(C)C ZINC000876849240 590249555 /nfs/dbraw/zinc/24/95/55/590249555.db2.gz XDNUWZGBWWCRPW-XKFHPXPTSA-N 1 3 225.336 0.076 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000876857766 590250230 /nfs/dbraw/zinc/25/02/30/590250230.db2.gz VUIWPWWNRIZTRM-AATLWQCWSA-N 1 3 243.326 0.176 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000876865178 590251489 /nfs/dbraw/zinc/25/14/89/590251489.db2.gz VAJCRGLXCFBIES-YUMQZZPRSA-N 1 3 235.278 0.098 20 0 BCADHO CC1(C)[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C[C@@H]1[NH3+] ZINC000876978703 590264247 /nfs/dbraw/zinc/26/42/47/590264247.db2.gz NYEBSEOMEPQIFH-JLIMGVALSA-N 1 3 243.326 0.258 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095083 590278712 /nfs/dbraw/zinc/27/87/12/590278712.db2.gz INUVSFNMSCEPON-SCZZXKLOSA-N 1 3 201.314 0.310 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103921 590284047 /nfs/dbraw/zinc/28/40/47/590284047.db2.gz WUNAYMQSOVPWBY-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO [NH3+][C@H]1CCCCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000877128598 590289951 /nfs/dbraw/zinc/28/99/51/590289951.db2.gz IEYVYGXFXDQPOA-CMPLNLGQSA-N 1 3 243.326 0.418 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000877128602 590290174 /nfs/dbraw/zinc/29/01/74/590290174.db2.gz IEYVYGXFXDQPOA-PWSUYJOCSA-N 1 3 243.326 0.418 20 0 BCADHO NC1(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000877134108 590290875 /nfs/dbraw/zinc/29/08/75/590290875.db2.gz MZJSGRBOMZXEPW-WDEREUQCSA-N 1 3 231.299 0.931 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877154998 590293500 /nfs/dbraw/zinc/29/35/00/590293500.db2.gz RCYUQPKHTDKIGW-UWVGGRQHSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877157284 590293598 /nfs/dbraw/zinc/29/35/98/590293598.db2.gz BYSNISYRGVLSMA-DTWKUNHWSA-N 1 3 213.325 0.228 20 0 BCADHO CNCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157526 590293941 /nfs/dbraw/zinc/29/39/41/590293941.db2.gz HXQYJQQLQMRNOB-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(CN)c1 ZINC000877174117 590296748 /nfs/dbraw/zinc/29/67/48/590296748.db2.gz AOPLNSMQNWFDSE-BXKDBHETSA-N 1 3 233.315 0.707 20 0 BCADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCCCN1 ZINC000877191715 590298961 /nfs/dbraw/zinc/29/89/61/590298961.db2.gz CKCZYRQFWXFPLO-QWKFWESOSA-N 1 3 237.347 0.611 20 0 BCADHO CCNCC(=O)NC1(C[NH3+])CCCCC1 ZINC000877205953 590301113 /nfs/dbraw/zinc/30/11/13/590301113.db2.gz ZEWBSGGEYKQMDN-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2(N)CC2)C1 ZINC000877260082 590301886 /nfs/dbraw/zinc/30/18/86/590301886.db2.gz QYRZSKOKRDGGPW-LBPRGKRZSA-N 1 3 239.363 0.701 20 0 BCADHO [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2CNCCC2(F)F)C1 ZINC000877242685 590302602 /nfs/dbraw/zinc/30/26/02/590302602.db2.gz IIPSVHTVTUOLDL-HRDYMLBCSA-N 1 3 247.289 0.085 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000877250924 590303581 /nfs/dbraw/zinc/30/35/81/590303581.db2.gz UISCTNDRLRNODL-UWVGGRQHSA-N 1 3 223.320 0.030 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000877250924 590303583 /nfs/dbraw/zinc/30/35/83/590303583.db2.gz UISCTNDRLRNODL-UWVGGRQHSA-N 1 3 223.320 0.030 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285084 590306853 /nfs/dbraw/zinc/30/68/53/590306853.db2.gz XSLFGAMKMGGBAM-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285083 590306867 /nfs/dbraw/zinc/30/68/67/590306867.db2.gz XSLFGAMKMGGBAM-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877292568 590307769 /nfs/dbraw/zinc/30/77/69/590307769.db2.gz OVLBQVLDJVLMEU-QXEWZRGKSA-N 1 3 225.336 0.513 20 0 BCADHO CC[C@H](C(=O)N[C@]12CCC[C@H]1[NH2+]CC2)N(C)C ZINC000877385549 590320918 /nfs/dbraw/zinc/32/09/18/590320918.db2.gz LKKPMCXKCLWWSR-WZRBSPASSA-N 1 3 239.363 0.727 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386464 590321846 /nfs/dbraw/zinc/32/18/46/590321846.db2.gz RMTAIWNLHPLJML-WCQYABFASA-N 1 3 248.330 0.661 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391506 590322232 /nfs/dbraw/zinc/32/22/32/590322232.db2.gz OGTATBVWLSSVSI-XHVZSJERSA-N 1 3 237.347 0.528 20 0 BCADHO O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@]1(F)CCNC1 ZINC000877398014 590323077 /nfs/dbraw/zinc/32/30/77/590323077.db2.gz ADZDIPSELRNMJN-USWWRNFRSA-N 1 3 241.310 0.089 20 0 BCADHO CNCC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877402191 590323539 /nfs/dbraw/zinc/32/35/39/590323539.db2.gz ZREWEIJIHLZQTO-NSHDSACASA-N 1 3 239.363 0.634 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@H]1CC[NH2+]1 ZINC000877451500 590330142 /nfs/dbraw/zinc/33/01/42/590330142.db2.gz OTFKHKBOYUATMO-MXWKQRLJSA-N 1 3 223.320 0.043 20 0 BCADHO CC(C)[C@H](O)CCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982255 590464878 /nfs/dbraw/zinc/46/48/78/590464878.db2.gz NEGAGYFCRZZZCE-GRYCIOLGSA-N 1 3 212.337 0.545 20 0 BCADHO CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879573770 590810935 /nfs/dbraw/zinc/81/09/35/590810935.db2.gz RCUJKGZVFOUZPS-UTUOFQBUSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879573770 590810937 /nfs/dbraw/zinc/81/09/37/590810937.db2.gz RCUJKGZVFOUZPS-UTUOFQBUSA-N 1 3 212.337 0.783 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879582022 590821024 /nfs/dbraw/zinc/82/10/24/590821024.db2.gz PJGBNSUXYPKZJP-GRYCIOLGSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879582022 590821026 /nfs/dbraw/zinc/82/10/26/590821026.db2.gz PJGBNSUXYPKZJP-GRYCIOLGSA-N 1 3 228.336 0.020 20 0 BCADHO CN1CC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000879580584 590821157 /nfs/dbraw/zinc/82/11/57/590821157.db2.gz UHLDXAQOPZTRTB-UPJWGTAASA-N 1 3 224.348 0.783 20 0 BCADHO CN1CC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@H]21 ZINC000879580584 590821160 /nfs/dbraw/zinc/82/11/60/590821160.db2.gz UHLDXAQOPZTRTB-UPJWGTAASA-N 1 3 224.348 0.783 20 0 BCADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC000214349131 591550178 /nfs/dbraw/zinc/55/01/78/591550178.db2.gz NHAJOYNDNATXMF-WUWIAWFRSA-N 1 3 245.754 0.526 20 0 BCADHO COC[C@H](NCCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883164785 591558680 /nfs/dbraw/zinc/55/86/80/591558680.db2.gz ODCAMPAVUNWRSS-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO CC(C)[C@H]1CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCN1C ZINC000883439452 591668602 /nfs/dbraw/zinc/66/86/02/591668602.db2.gz RXFLHSFOPOFGHB-RWMBFGLXSA-N 1 3 243.370 0.958 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCN1CCOC1=O ZINC000883441147 591668848 /nfs/dbraw/zinc/66/88/48/591668848.db2.gz IHBCNQUQGPUWIO-IUCAKERBSA-N 1 3 227.308 0.154 20 0 BCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCN1CCOC1=O ZINC000883441147 591668849 /nfs/dbraw/zinc/66/88/49/591668849.db2.gz IHBCNQUQGPUWIO-IUCAKERBSA-N 1 3 227.308 0.154 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@H](CF)C1 ZINC000883447536 591671535 /nfs/dbraw/zinc/67/15/35/591671535.db2.gz DZHBCSYFOHKUCR-ZJUUUORDSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](CF)C1 ZINC000883447536 591671536 /nfs/dbraw/zinc/67/15/36/591671536.db2.gz DZHBCSYFOHKUCR-ZJUUUORDSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](CF)C1 ZINC000883447536 591671539 /nfs/dbraw/zinc/67/15/39/591671539.db2.gz DZHBCSYFOHKUCR-ZJUUUORDSA-N 1 3 204.289 0.248 20 0 BCADHO COc1cccc([C@@H]2CNCCN2CCC[NH3+])c1 ZINC000883455800 591673182 /nfs/dbraw/zinc/67/31/82/591673182.db2.gz LCEGWDZIVPVPRM-AWEZNQCLSA-N 1 3 249.358 0.990 20 0 BCADHO C([C@H]1CNCCO1)N1CC[NH2+]CCC12CCC2 ZINC000883460228 591674527 /nfs/dbraw/zinc/67/45/27/591674527.db2.gz SATGCAYIWZQUDK-GFCCVEGCSA-N 1 3 239.363 0.193 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132873858 591744788 /nfs/dbraw/zinc/74/47/88/591744788.db2.gz HFNDKUBMEPMVOU-QJPTWQEYSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132873858 591744791 /nfs/dbraw/zinc/74/47/91/591744791.db2.gz HFNDKUBMEPMVOU-QJPTWQEYSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132888834 591745507 /nfs/dbraw/zinc/74/55/07/591745507.db2.gz LFCLZMVLVCROBQ-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132888834 591745508 /nfs/dbraw/zinc/74/55/08/591745508.db2.gz LFCLZMVLVCROBQ-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)CC1CC1 ZINC000884034411 591815753 /nfs/dbraw/zinc/81/57/53/591815753.db2.gz DNDVDZWCYLNGQJ-UWVGGRQHSA-N 1 3 213.325 0.213 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1cccc(C[NH3+])c1 ZINC000884006825 591794038 /nfs/dbraw/zinc/79/40/38/591794038.db2.gz DGXRXVQIWSWPJV-JTQLQIEISA-N 1 3 223.276 0.058 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884006289 591794053 /nfs/dbraw/zinc/79/40/53/591794053.db2.gz MIPGOHONMKDEBT-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000884013710 591798711 /nfs/dbraw/zinc/79/87/11/591798711.db2.gz QLOJIPMBJPJZGK-GARJFASQSA-N 1 3 243.351 0.079 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](N)CC1CC1 ZINC000884013734 591798759 /nfs/dbraw/zinc/79/87/59/591798759.db2.gz QVZSVFRNYUOALN-WCQGTBRESA-N 1 3 239.363 0.842 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000884012134 591799300 /nfs/dbraw/zinc/79/93/00/591799300.db2.gz AJTXOFKENOBRIB-LLVKDONJSA-N 1 3 225.336 0.230 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884017513 591800803 /nfs/dbraw/zinc/80/08/03/591800803.db2.gz YVKSORWEYWBRAW-QWRGUYRKSA-N 1 3 225.336 0.230 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884037734 591818955 /nfs/dbraw/zinc/81/89/55/591818955.db2.gz KZJBJSSZFQGALK-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CC1CC1 ZINC000884040293 591821975 /nfs/dbraw/zinc/82/19/75/591821975.db2.gz PPOYANUCKZDWAS-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](N)CC1CC1 ZINC000884041512 591823036 /nfs/dbraw/zinc/82/30/36/591823036.db2.gz ADHRGRKXHUZBSI-NWDGAFQWSA-N 1 3 241.379 0.946 20 0 BCADHO COCC[C@H](N)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000884040812 591823110 /nfs/dbraw/zinc/82/31/10/591823110.db2.gz DYFKFGHJIVXHDQ-MNOVXSKESA-N 1 3 245.367 0.182 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](N)CC1CC1 ZINC000884206778 591873663 /nfs/dbraw/zinc/87/36/63/591873663.db2.gz DUDPGMJNJLGBFP-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](N)CC1CC1 ZINC000884206778 591873664 /nfs/dbraw/zinc/87/36/64/591873664.db2.gz DUDPGMJNJLGBFP-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884245531 591882193 /nfs/dbraw/zinc/88/21/93/591882193.db2.gz XNXHIFOTJYZLNF-GDPRMGEGSA-N 1 3 225.336 0.310 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265690 591888604 /nfs/dbraw/zinc/88/86/04/591888604.db2.gz QNSSWZSRIOXNFO-QWRGUYRKSA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)(CCC[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884294444 591895805 /nfs/dbraw/zinc/89/58/05/591895805.db2.gz BAVWKZJOJGYCFI-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303183 591899249 /nfs/dbraw/zinc/89/92/49/591899249.db2.gz IUUDYSVUMXSZQF-QJPTWQEYSA-N 1 3 237.347 0.324 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884302625 591899302 /nfs/dbraw/zinc/89/93/02/591899302.db2.gz VDZLCOLDGQPHJJ-QWRGUYRKSA-N 1 3 239.363 0.618 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000884302402 591899325 /nfs/dbraw/zinc/89/93/25/591899325.db2.gz PYLHCTYIHUNFGE-VWYCJHECSA-N 1 3 225.336 0.357 20 0 BCADHO CN(C(=O)[C@H](N)CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000884338620 591905295 /nfs/dbraw/zinc/90/52/95/591905295.db2.gz NVAOMGVHDZJUEA-GHMZBOCLSA-N 1 3 225.336 0.310 20 0 BCADHO CN(C(=O)[C@H](N)CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000884338621 591905334 /nfs/dbraw/zinc/90/53/34/591905334.db2.gz NVAOMGVHDZJUEA-MNOVXSKESA-N 1 3 225.336 0.310 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358337 591911458 /nfs/dbraw/zinc/91/14/58/591911458.db2.gz OZDOGFVPWOYYEJ-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884358921 591912335 /nfs/dbraw/zinc/91/23/35/591912335.db2.gz ZZPPIGKDWGARHC-XHNCKOQMSA-N 1 3 225.336 0.226 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000884358863 591912970 /nfs/dbraw/zinc/91/29/70/591912970.db2.gz ZNUCGPISUYEMDO-OUAUKWLOSA-N 1 3 241.379 0.815 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884365373 591917104 /nfs/dbraw/zinc/91/71/04/591917104.db2.gz IGYHZYKUEQTOBC-IVZWLZJFSA-N 1 3 225.336 0.356 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC(CC[NH3+])CC1 ZINC000884388386 591921923 /nfs/dbraw/zinc/92/19/23/591921923.db2.gz TXTWERXQHNUANT-GFCCVEGCSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H](N)CC1CC1 ZINC000884389913 591923074 /nfs/dbraw/zinc/92/30/74/591923074.db2.gz JCDYHIXQJBMVCM-IEBDPFPHSA-N 1 3 225.336 0.452 20 0 BCADHO [NH3+][C@H](CC(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000137383805 592175953 /nfs/dbraw/zinc/17/59/53/592175953.db2.gz SZDVZKMMXRMNKV-CMPLNLGQSA-N 1 3 237.347 0.467 20 0 BCADHO NC[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886826982 592351052 /nfs/dbraw/zinc/35/10/52/592351052.db2.gz BBOOSSBZJZEEJZ-TUAOUCFPSA-N 1 3 210.321 0.694 20 0 BCADHO NC[C@@H]1CC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886826982 592351055 /nfs/dbraw/zinc/35/10/55/592351055.db2.gz BBOOSSBZJZEEJZ-TUAOUCFPSA-N 1 3 210.321 0.694 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H]1C[C@@]13CCOC3)C2 ZINC000886841887 592363184 /nfs/dbraw/zinc/36/31/84/592363184.db2.gz ZKBDVKWXQLZVHZ-IGQOVBAYSA-N 1 3 236.359 0.954 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)NCC(F)F ZINC000887351436 592485711 /nfs/dbraw/zinc/48/57/11/592485711.db2.gz PDETVUXCVBWENB-UHFFFAOYSA-N 1 3 243.261 0.294 20 0 BCADHO CN1CC=C(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887356408 592488415 /nfs/dbraw/zinc/48/84/15/592488415.db2.gz BRIHVHJSPJWLON-UHFFFAOYSA-N 1 3 232.278 0.627 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)CC[N@@H+]1C ZINC000302708632 592552234 /nfs/dbraw/zinc/55/22/34/592552234.db2.gz XNUOOYHIHAKRRA-JLLWLGSASA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)CC2CC2)CC[N@H+]1C ZINC000302708632 592552235 /nfs/dbraw/zinc/55/22/35/592552235.db2.gz XNUOOYHIHAKRRA-JLLWLGSASA-N 1 3 239.363 0.713 20 0 BCADHO CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091551 634437324 /nfs/dbraw/zinc/43/73/24/634437324.db2.gz PAKBHESAACTODK-SNVBAGLBSA-N 1 3 236.319 0.410 20 0 BCADHO CN1CCC[C@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925719419 634456816 /nfs/dbraw/zinc/45/68/16/634456816.db2.gz ROQLVSUIIVTNCU-XNBXPENISA-N 1 3 235.375 0.667 20 0 BCADHO CN1CC[C@@H](c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000258098137 634564973 /nfs/dbraw/zinc/56/49/73/634564973.db2.gz RXEWJOVHDZXXNO-VHSXEESVSA-N 1 3 236.319 0.956 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCN1CCNC1=O ZINC000925777108 635259464 /nfs/dbraw/zinc/25/94/64/635259464.db2.gz LFBKPVOCLJQMRP-MNOVXSKESA-N 1 3 240.351 0.119 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925777108 635259469 /nfs/dbraw/zinc/25/94/69/635259469.db2.gz LFBKPVOCLJQMRP-MNOVXSKESA-N 1 3 240.351 0.119 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000236837854 635431175 /nfs/dbraw/zinc/43/11/75/635431175.db2.gz KKFLBUKPGRSWNC-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)C1CNC1 ZINC000925832106 635471567 /nfs/dbraw/zinc/47/15/67/635471567.db2.gz QTDPEUFCDYBZKT-KQXIARHKSA-N 1 3 222.332 0.775 20 0 BCADHO COC[C@@H](CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933733589 631494293 /nfs/dbraw/zinc/49/42/93/631494293.db2.gz MQLHPKQFUZUHGS-YNEHKIRRSA-N 1 3 242.363 0.531 20 0 BCADHO COC[C@@H](CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933733589 631494297 /nfs/dbraw/zinc/49/42/97/631494297.db2.gz MQLHPKQFUZUHGS-YNEHKIRRSA-N 1 3 242.363 0.531 20 0 BCADHO C[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000308735720 631557550 /nfs/dbraw/zinc/55/75/50/631557550.db2.gz ZUYYQPGKNOMMSW-NEPJUHHUSA-N 1 3 212.337 0.927 20 0 BCADHO CC[C@H](C)NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000251941066 635705957 /nfs/dbraw/zinc/70/59/57/635705957.db2.gz SMCCBDBBJSPTQV-SDDRHHMPSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000130137142 632439523 /nfs/dbraw/zinc/43/95/23/632439523.db2.gz LOYYVRZOESWWCI-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN(CC[NH+](C)C)C(=O)[C@@H](N)CCOC ZINC000052810349 632497582 /nfs/dbraw/zinc/49/75/82/632497582.db2.gz VQAXAQVUQMIJMN-NSHDSACASA-N 1 3 245.367 0.150 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC1CC1)[N@H+](C)C1CC1 ZINC000310190354 632707027 /nfs/dbraw/zinc/70/70/27/632707027.db2.gz XSKJDSJIUARBSK-SKDRFNHKSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC1CC1)[N@@H+](C)C1CC1 ZINC000310190354 632707030 /nfs/dbraw/zinc/70/70/30/632707030.db2.gz XSKJDSJIUARBSK-SKDRFNHKSA-N 1 3 239.363 0.713 20 0 BCADHO OCC[C@@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310321531 632723872 /nfs/dbraw/zinc/72/38/72/632723872.db2.gz UYCVYZUIKLBKCR-STQMWFEESA-N 1 3 242.363 0.290 20 0 BCADHO C[C@@H](C[NH2+]C1CCN(C=O)CC1)CN(C)C ZINC000309387637 633003544 /nfs/dbraw/zinc/00/35/44/633003544.db2.gz SWOLNUWBASNMQZ-NSHDSACASA-N 1 3 227.352 0.395 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@H](O)C1 ZINC000926831754 633176390 /nfs/dbraw/zinc/17/63/90/633176390.db2.gz FGIUZEPBBXSZNC-POVTYCQASA-N 1 3 224.348 0.687 20 0 BCADHO C[C@H]1CN(CC(=O)N(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000122291721 633187862 /nfs/dbraw/zinc/18/78/62/633187862.db2.gz BVRNVUKXYYMBLF-WDEREUQCSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2C)CC[N@@H+]1C ZINC000928431441 635916944 /nfs/dbraw/zinc/91/69/44/635916944.db2.gz NMDAGWNYOKTJLR-WRWGMCAJSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C)[C@H]2C)CC[N@H+]1C ZINC000928431441 635916948 /nfs/dbraw/zinc/91/69/48/635916948.db2.gz NMDAGWNYOKTJLR-WRWGMCAJSA-N 1 3 239.363 0.535 20 0 BCADHO CC(C)CNC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000122297430 633198332 /nfs/dbraw/zinc/19/83/32/633198332.db2.gz AANNFPAGAOUKDM-VXGBXAGGSA-N 1 3 241.379 0.675 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C ZINC000928440029 635936439 /nfs/dbraw/zinc/93/64/39/635936439.db2.gz ZAHAJDMUYVZXPK-VWYCJHECSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C ZINC000928440029 635936441 /nfs/dbraw/zinc/93/64/41/635936441.db2.gz ZAHAJDMUYVZXPK-VWYCJHECSA-N 1 3 225.336 0.147 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@H]2COCO2)CC1(C)C ZINC000894891065 636000347 /nfs/dbraw/zinc/00/03/47/636000347.db2.gz XWBBJIXOWATRQS-QWRGUYRKSA-N 1 3 228.336 0.822 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@H]2COCO2)CC1(C)C ZINC000894891065 636000350 /nfs/dbraw/zinc/00/03/50/636000350.db2.gz XWBBJIXOWATRQS-QWRGUYRKSA-N 1 3 228.336 0.822 20 0 BCADHO Cc1nccn1CCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328511295 633775271 /nfs/dbraw/zinc/77/52/71/633775271.db2.gz BMKPUXVKGIWZTL-QSLWVIQJSA-N 1 3 246.358 0.778 20 0 BCADHO C(C1CC1)N1CC[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925557681 634033695 /nfs/dbraw/zinc/03/36/95/634033695.db2.gz PXVRLAMLUDVDEG-OLZOCXBDSA-N 1 3 239.363 0.049 20 0 BCADHO CC[C@H](C)N(CCO)C[C@H](O)C[NH+]1CCCC1 ZINC000310228418 634099308 /nfs/dbraw/zinc/09/93/08/634099308.db2.gz YQRNLAGXADEYMW-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@@H](CN(C)C)N[C@H]1CC[NH2+]C12CCC2 ZINC000925672045 634255569 /nfs/dbraw/zinc/25/55/69/634255569.db2.gz GIJSKFPXRCAZOR-QWRGUYRKSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@@H](CN(C)C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925672046 634256094 /nfs/dbraw/zinc/25/60/94/634256094.db2.gz GIJSKFPXRCAZOR-WDEREUQCSA-N 1 3 211.353 0.811 20 0 BCADHO [NH3+]C[C@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000258430169 635148396 /nfs/dbraw/zinc/14/83/96/635148396.db2.gz GZQNVTTWNSZKQA-KGLIPLIRSA-N 1 3 234.343 0.871 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424030636 635153541 /nfs/dbraw/zinc/15/35/41/635153541.db2.gz RGYCXUQRRDVROR-GVXVVHGQSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@H](N[C@H](C)C1C[NH2+]C1)[C@H]1CCCOC1 ZINC000925777830 635261108 /nfs/dbraw/zinc/26/11/08/635261108.db2.gz HJPLSCDAVSIIIZ-MDZLAQPJSA-N 1 3 242.363 0.626 20 0 BCADHO COC[C@H](N[C@@H](C)C1C[NH2+]C1)[C@H]1CCCOC1 ZINC000925777827 635261724 /nfs/dbraw/zinc/26/17/24/635261724.db2.gz HJPLSCDAVSIIIZ-GVXVVHGQSA-N 1 3 242.363 0.626 20 0 BCADHO CC(C)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000036190214 635495493 /nfs/dbraw/zinc/49/54/93/635495493.db2.gz RGAJIRPQYDVLOJ-GFCCVEGCSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCO[C@H]1CCOC1 ZINC000925873441 635590793 /nfs/dbraw/zinc/59/07/93/635590793.db2.gz AGECSNLSFRENNH-AGIUHOORSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870912510 636382206 /nfs/dbraw/zinc/38/22/06/636382206.db2.gz GYQLYPYOHXQHKN-YHMTXAQFSA-N 1 3 237.347 0.323 20 0 BCADHO CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989796983 636881766 /nfs/dbraw/zinc/88/17/66/636881766.db2.gz UPXWBVNECDUPDL-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989796984 636881849 /nfs/dbraw/zinc/88/18/49/636881849.db2.gz UPXWBVNECDUPDL-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701341 636932119 /nfs/dbraw/zinc/93/21/19/636932119.db2.gz JLUOOWSTFWBSPY-FRRDWIJNSA-N 1 3 224.348 0.855 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701341 636932125 /nfs/dbraw/zinc/93/21/25/636932125.db2.gz JLUOOWSTFWBSPY-FRRDWIJNSA-N 1 3 224.348 0.855 20 0 BCADHO C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCCOCC1 ZINC000903722922 637379832 /nfs/dbraw/zinc/37/98/32/637379832.db2.gz QQFFHVIADWKXFK-CHWSQXEVSA-N 1 3 240.347 0.477 20 0 BCADHO [O-]c1cncc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000904433682 637400629 /nfs/dbraw/zinc/40/06/29/637400629.db2.gz PMBLLSCSZQGKOE-UHFFFAOYSA-N 1 3 221.304 0.876 20 0 BCADHO CNC(=O)c1ccc(C[NH2+]CC2(N)CC2)cc1 ZINC000904449269 637413877 /nfs/dbraw/zinc/41/38/77/637413877.db2.gz HOFKVKOHCLTDGA-UHFFFAOYSA-N 1 3 233.315 0.627 20 0 BCADHO [NH3+][C@H](CN[C@@H]1COC[C@H]1C1CC1)CC(F)F ZINC000904474553 637425757 /nfs/dbraw/zinc/42/57/57/637425757.db2.gz GIKFMNJQZIUXOV-LPEHRKFASA-N 1 3 234.290 0.984 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)C2(O)CCC2)CC[N@@H+]1C ZINC000905132590 637644643 /nfs/dbraw/zinc/64/46/43/637644643.db2.gz BKGXLTLZPFUMND-UTUOFQBUSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132590 637644653 /nfs/dbraw/zinc/64/46/53/637644653.db2.gz BKGXLTLZPFUMND-UTUOFQBUSA-N 1 3 242.363 0.335 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074565006 711443620 /nfs/dbraw/zinc/44/36/20/711443620.db2.gz NPDVGKQWFOKYMX-SRVKXCTJSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000906091314 638049438 /nfs/dbraw/zinc/04/94/38/638049438.db2.gz CJBNMXFCDQRIMV-SDDRHHMPSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000906092266 638050517 /nfs/dbraw/zinc/05/05/17/638050517.db2.gz XPHQHITVLCMUMU-IJLUTSLNSA-N 1 3 241.379 0.803 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000906092310 638051514 /nfs/dbraw/zinc/05/15/14/638051514.db2.gz KURLBDPVAZLQPB-IJLUTSLNSA-N 1 3 239.363 0.570 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC000907650324 638434681 /nfs/dbraw/zinc/43/46/81/638434681.db2.gz JSZDRIJQYFKFTO-UHFFFAOYSA-N 1 3 238.335 0.752 20 0 BCADHO CCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000910472394 639464482 /nfs/dbraw/zinc/46/44/82/639464482.db2.gz KWTQUBHDTRHNGD-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911619484 639682920 /nfs/dbraw/zinc/68/29/20/639682920.db2.gz IYONNGIUEHHUFW-KOLCDFICSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670368 639697384 /nfs/dbraw/zinc/69/73/84/639697384.db2.gz KNPLWYDEBWSCFV-PWSUYJOCSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672396 639698526 /nfs/dbraw/zinc/69/85/26/639698526.db2.gz DNNVXMWGYUINPT-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)C[C@H](C)CC ZINC000911688991 639727839 /nfs/dbraw/zinc/72/78/39/639727839.db2.gz XVILUTATHHMGNJ-MNOVXSKESA-N 1 3 229.368 0.866 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911707609 639760187 /nfs/dbraw/zinc/76/01/87/639760187.db2.gz NYPLADNZZQPHLR-TUAOUCFPSA-N 1 3 241.379 0.866 20 0 BCADHO C[NH2+]C1(C(=O)N2C[C@@H](C)N[C@H](C)C2)CCC1 ZINC000911793883 639806777 /nfs/dbraw/zinc/80/67/77/639806777.db2.gz DNOMTDVEQRQVCK-NXEZZACHSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@H](C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911799324 639820589 /nfs/dbraw/zinc/82/05/89/639820589.db2.gz XHMFPAAGKWVXKK-YFKTTZPYSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911833323 639844707 /nfs/dbraw/zinc/84/47/07/639844707.db2.gz KRVJWZFYDZWKED-NEPJUHHUSA-N 1 3 239.363 0.713 20 0 BCADHO CSCC[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911847645 639856342 /nfs/dbraw/zinc/85/63/42/639856342.db2.gz QSJRLBFNPYGNDA-SECBINFHSA-N 1 3 245.392 0.277 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(CCn3cccn3)C[C@@H]2C1 ZINC000931433809 640200899 /nfs/dbraw/zinc/20/08/99/640200899.db2.gz IWWPVVPBGBILDM-OLZOCXBDSA-N 1 3 234.347 0.767 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(CCn3cccn3)C[C@@H]2C1 ZINC000931433809 640200907 /nfs/dbraw/zinc/20/09/07/640200907.db2.gz IWWPVVPBGBILDM-OLZOCXBDSA-N 1 3 234.347 0.767 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(CCc3cnccn3)C[C@@H]2C1 ZINC000931442459 640208521 /nfs/dbraw/zinc/20/85/21/640208521.db2.gz HYAYLFWLPWHZRK-OLZOCXBDSA-N 1 3 246.358 0.903 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(CCc3cnccn3)C[C@@H]2C1 ZINC000931442459 640208531 /nfs/dbraw/zinc/20/85/31/640208531.db2.gz HYAYLFWLPWHZRK-OLZOCXBDSA-N 1 3 246.358 0.903 20 0 BCADHO C[NH+](C)CCCCNCc1cnccn1 ZINC000054766738 640409182 /nfs/dbraw/zinc/40/91/82/640409182.db2.gz MRLDNYUOLBBXFU-UHFFFAOYSA-N 1 3 208.309 0.908 20 0 BCADHO CCOC[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225852065 640713235 /nfs/dbraw/zinc/71/32/35/640713235.db2.gz SAEDQINCRXTDAA-IJLUTSLNSA-N 1 3 230.352 0.443 20 0 BCADHO Cn1cc(CC[N@H+](C)C2CCNCC2)cn1 ZINC000226418291 640762260 /nfs/dbraw/zinc/76/22/60/640762260.db2.gz YNBCVSUWDVKPSS-UHFFFAOYSA-N 1 3 222.336 0.646 20 0 BCADHO Cn1cc(CC[N@@H+](C)C2CCNCC2)cn1 ZINC000226418291 640762265 /nfs/dbraw/zinc/76/22/65/640762265.db2.gz YNBCVSUWDVKPSS-UHFFFAOYSA-N 1 3 222.336 0.646 20 0 BCADHO OCCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000226834830 640799878 /nfs/dbraw/zinc/79/98/78/640799878.db2.gz GABALRLUAXTOFN-TXEJJXNPSA-N 1 3 212.337 0.690 20 0 BCADHO OCCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000226834835 640800216 /nfs/dbraw/zinc/80/02/16/640800216.db2.gz GABALRLUAXTOFN-VXGBXAGGSA-N 1 3 212.337 0.690 20 0 BCADHO CCOCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228987854 640909625 /nfs/dbraw/zinc/90/96/25/640909625.db2.gz FTNAENCCEWSWIA-QWRGUYRKSA-N 1 3 200.326 0.940 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000230386670 641049444 /nfs/dbraw/zinc/04/94/44/641049444.db2.gz ZQIQHPYAWWQGBK-WDEREUQCSA-N 1 3 241.379 0.866 20 0 BCADHO CN(C[C@@H](O)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000307938302 641194155 /nfs/dbraw/zinc/19/41/55/641194155.db2.gz KKFIGAOBLHORLY-VIFPVBQESA-N 1 3 240.269 0.984 20 0 BCADHO C[N@H+](C[C@@H](O)CC(F)(F)F)C1CCNCC1 ZINC000307938302 641194159 /nfs/dbraw/zinc/19/41/59/641194159.db2.gz KKFIGAOBLHORLY-VIFPVBQESA-N 1 3 240.269 0.984 20 0 BCADHO C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCNCC1 ZINC000307938302 641194164 /nfs/dbraw/zinc/19/41/64/641194164.db2.gz KKFIGAOBLHORLY-VIFPVBQESA-N 1 3 240.269 0.984 20 0 BCADHO CN(CCC[NH3+])C[C@@H](O)CC(F)(F)F ZINC000307929575 641194661 /nfs/dbraw/zinc/19/46/61/641194661.db2.gz APVYQGWMYBMFRP-ZETCQYMHSA-N 1 3 214.231 0.580 20 0 BCADHO CN1CCC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630035 641433626 /nfs/dbraw/zinc/43/36/26/641433626.db2.gz WLWRFPVBOQIYQE-SNVBAGLBSA-N 1 3 223.320 0.045 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000040461757 641531708 /nfs/dbraw/zinc/53/17/08/641531708.db2.gz ITVSCXRCSHPWBW-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCO[C@@H](C)C1 ZINC000223935244 641700572 /nfs/dbraw/zinc/70/05/72/641700572.db2.gz DCQUTVHYGUQKBS-WOPDTQHZSA-N 1 3 212.337 0.953 20 0 BCADHO CCN(CCC(N)=O)C[C@@H]1CCC[NH2+]C1 ZINC000233428392 642670059 /nfs/dbraw/zinc/67/00/59/642670059.db2.gz JIKGVJYFLJFTDE-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967708524 642803095 /nfs/dbraw/zinc/80/30/95/642803095.db2.gz LQHCUTXHFITOPB-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967926357 642805224 /nfs/dbraw/zinc/80/52/24/642805224.db2.gz UGIDXWDXBSHFLG-GHMZBOCLSA-N 1 3 243.326 0.241 20 0 BCADHO COC[C@H](O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000252691863 642891689 /nfs/dbraw/zinc/89/16/89/642891689.db2.gz ZGFRSMCEMZGGEI-MNOVXSKESA-N 1 3 218.341 0.299 20 0 BCADHO CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020587537 643219886 /nfs/dbraw/zinc/21/98/86/643219886.db2.gz JVFRSYAZZKASMK-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CN(CC[NH+](C)C)c1ccnc(CO)c1 ZINC000082543011 643340661 /nfs/dbraw/zinc/34/06/61/643340661.db2.gz PJMKPCWTQUTUQF-UHFFFAOYSA-N 1 3 209.293 0.572 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H](N)CC1CC1 ZINC000083347584 643437844 /nfs/dbraw/zinc/43/78/44/643437844.db2.gz KSDXVATVAHGUON-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](O)CN(C)C1(C[NH3+])CCCCC1 ZINC000083676564 643541075 /nfs/dbraw/zinc/54/10/75/643541075.db2.gz IVJQTQHPVTWUNP-JTQLQIEISA-N 1 3 200.326 0.961 20 0 BCADHO CC(=O)NCCCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000929313459 644075777 /nfs/dbraw/zinc/07/57/77/644075777.db2.gz YMCJWVXVKNQLLY-BETUJISGSA-N 1 3 239.363 0.444 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCC[C@H]1CN ZINC000923282395 644314041 /nfs/dbraw/zinc/31/40/41/644314041.db2.gz VILVTEGKYBAQPA-VHSXEESVSA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCC[C@H]1CN ZINC000923282395 644314045 /nfs/dbraw/zinc/31/40/45/644314045.db2.gz VILVTEGKYBAQPA-VHSXEESVSA-N 1 3 218.366 0.524 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000923279586 644311036 /nfs/dbraw/zinc/31/10/36/644311036.db2.gz QSPNWBTUZZMUJB-AVGNSLFASA-N 1 3 244.379 0.976 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000923279586 644311040 /nfs/dbraw/zinc/31/10/40/644311040.db2.gz QSPNWBTUZZMUJB-AVGNSLFASA-N 1 3 244.379 0.976 20 0 BCADHO CC(C)OCC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923279478 644311241 /nfs/dbraw/zinc/31/12/41/644311241.db2.gz CCMCKCIGQQROPY-OLZOCXBDSA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)COC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923279850 644312103 /nfs/dbraw/zinc/31/21/03/644312103.db2.gz DQVNKGZDFGDJSJ-CHWSQXEVSA-N 1 3 244.379 0.691 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCC[C@@H]1CN ZINC000923282393 644315395 /nfs/dbraw/zinc/31/53/95/644315395.db2.gz VILVTEGKYBAQPA-NXEZZACHSA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCC[C@@H]1CN ZINC000923282393 644315399 /nfs/dbraw/zinc/31/53/99/644315399.db2.gz VILVTEGKYBAQPA-NXEZZACHSA-N 1 3 218.366 0.524 20 0 BCADHO CC(C)COC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923282576 644318178 /nfs/dbraw/zinc/31/81/78/644318178.db2.gz VWEIZYOGXMNXIE-RYUDHWBXSA-N 1 3 230.352 0.301 20 0 BCADHO CSC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288968 644324343 /nfs/dbraw/zinc/32/43/43/644324343.db2.gz NGLNVBOQDKMGBI-BBBLOLIVSA-N 1 3 218.366 0.379 20 0 BCADHO CCOCC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294034 644330098 /nfs/dbraw/zinc/33/00/98/644330098.db2.gz DJUDPNMMFZHZHB-NSHDSACASA-N 1 3 232.368 0.691 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)Cn1cccn1 ZINC000923295801 644331780 /nfs/dbraw/zinc/33/17/80/644331780.db2.gz HSBLRNHVWIOLJO-NWDGAFQWSA-N 1 3 240.351 0.207 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923295708 644332989 /nfs/dbraw/zinc/33/29/89/644332989.db2.gz FJZAZJQWVWATPR-OLZOCXBDSA-N 1 3 246.395 0.983 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296032 644335751 /nfs/dbraw/zinc/33/57/51/644335751.db2.gz NLIMHIFEVXZPOW-NEPJUHHUSA-N 1 3 232.368 0.735 20 0 BCADHO CCOC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923305167 644340544 /nfs/dbraw/zinc/34/05/44/644340544.db2.gz KBDMYEQURLQZCY-DLOVCJGASA-N 1 3 228.336 0.338 20 0 BCADHO COC(C)(C)CN(C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923317942 644344734 /nfs/dbraw/zinc/34/47/34/644344734.db2.gz HEUOUTBWBOBBGQ-GUBZILKMSA-N 1 3 216.325 0.194 20 0 BCADHO C[C@H]1CN(C[C@H]2CC3(C[NH2+]C3)CO2)CCS1 ZINC000923311044 644346824 /nfs/dbraw/zinc/34/68/24/644346824.db2.gz FRQSALPOVZNAKL-WDEREUQCSA-N 1 3 242.388 0.802 20 0 BCADHO CCOCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000923330862 644348324 /nfs/dbraw/zinc/34/83/24/644348324.db2.gz CPHVHGZRGYECBS-YNEHKIRRSA-N 1 3 242.363 0.709 20 0 BCADHO CCOCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000923330856 644349548 /nfs/dbraw/zinc/34/95/48/644349548.db2.gz CPHVHGZRGYECBS-AVGNSLFASA-N 1 3 242.363 0.709 20 0 BCADHO CCOCC[C@@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000923334674 644356378 /nfs/dbraw/zinc/35/63/78/644356378.db2.gz JCWDTYODXWZRSN-CHWSQXEVSA-N 1 3 244.379 0.848 20 0 BCADHO NCC(C[NH3+])N[C@H]1CCCc2ccccc21 ZINC000923351353 644366788 /nfs/dbraw/zinc/36/67/88/644366788.db2.gz JMBVBZPUAXOHSQ-ZDUSSCGKSA-N 1 3 219.332 0.940 20 0 BCADHO NCC(C[NH3+])N[C@@H]1CCCc2ccccc21 ZINC000923351352 644367714 /nfs/dbraw/zinc/36/77/14/644367714.db2.gz JMBVBZPUAXOHSQ-CYBMUJFWSA-N 1 3 219.332 0.940 20 0 BCADHO Cc1ccc(OCCNC(CN)C[NH3+])cc1 ZINC000923352034 644369333 /nfs/dbraw/zinc/36/93/33/644369333.db2.gz LDVPIZISSRMZSE-UHFFFAOYSA-N 1 3 223.320 0.249 20 0 BCADHO C[C@H]1CCCC[C@@H]1OCCNC(CN)C[NH3+] ZINC000923352193 644370682 /nfs/dbraw/zinc/37/06/82/644370682.db2.gz QIONQQOATSZPBV-JQWIXIFHSA-N 1 3 229.368 0.457 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923355191 644371421 /nfs/dbraw/zinc/37/14/21/644371421.db2.gz HIMZHQYEFZQPEP-STQMWFEESA-N 1 3 244.379 0.833 20 0 BCADHO NCC(C[NH3+])NCc1ncc(Cl)cc1Cl ZINC000923354445 644371816 /nfs/dbraw/zinc/37/18/16/644371816.db2.gz OPMXDQFFAUVVCJ-UHFFFAOYSA-N 1 3 249.145 0.764 20 0 BCADHO COC[C@H](O)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364225 644375516 /nfs/dbraw/zinc/37/55/16/644375516.db2.gz JXKLQNKVLCLTFP-XQQFMLRXSA-N 1 3 242.363 0.458 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[C@@H](c3ccccn3)C2)C1 ZINC000923369115 644380828 /nfs/dbraw/zinc/38/08/28/644380828.db2.gz HQUXWJUSHMDKJV-XWUBHJNHSA-N 1 3 247.342 0.722 20 0 BCADHO CCOCC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923371227 644383762 /nfs/dbraw/zinc/38/37/62/644383762.db2.gz VWRKOAGIKOBPNE-WDEREUQCSA-N 1 3 232.368 0.737 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NCCO[C@@H]1CCOC1 ZINC000923371084 644384961 /nfs/dbraw/zinc/38/49/61/644384961.db2.gz VLYRKMZVWPUXIQ-NEPJUHHUSA-N 1 3 242.363 0.770 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923375673 644388630 /nfs/dbraw/zinc/38/86/30/644388630.db2.gz OYEKNWLFCRZLRS-AVGNSLFASA-N 1 3 244.379 0.691 20 0 BCADHO CC(C)O[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923385933 644399216 /nfs/dbraw/zinc/39/92/16/644399216.db2.gz GAOFLOIIDAVOPD-RNJOBUHISA-N 1 3 242.363 0.726 20 0 BCADHO CSC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000923388747 644403208 /nfs/dbraw/zinc/40/32/08/644403208.db2.gz UKMADBZACLNDDT-TUAOUCFPSA-N 1 3 244.404 0.771 20 0 BCADHO CSC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000923388747 644403212 /nfs/dbraw/zinc/40/32/12/644403212.db2.gz UKMADBZACLNDDT-TUAOUCFPSA-N 1 3 244.404 0.771 20 0 BCADHO CC1(F)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923417387 644409256 /nfs/dbraw/zinc/40/92/56/644409256.db2.gz UCPAJALZMNMRLN-GUBZILKMSA-N 1 3 216.300 0.661 20 0 BCADHO CC[C@H](O)CN1CC2CCC1(C[NH3+])CC2 ZINC000923392875 644410009 /nfs/dbraw/zinc/41/00/09/644410009.db2.gz LSYJQQLNQHERDT-CXQJBGSLSA-N 1 3 212.337 0.961 20 0 BCADHO CSC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923421908 644416511 /nfs/dbraw/zinc/41/65/11/644416511.db2.gz PEFIGNNRHFUZTA-IWSPIJDZSA-N 1 3 218.366 0.426 20 0 BCADHO CSC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923421908 644416514 /nfs/dbraw/zinc/41/65/14/644416514.db2.gz PEFIGNNRHFUZTA-IWSPIJDZSA-N 1 3 218.366 0.426 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923412761 644413171 /nfs/dbraw/zinc/41/31/71/644413171.db2.gz ASQXMSGHKKAESW-YPMHNXCESA-N 1 3 244.379 0.691 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923412761 644413178 /nfs/dbraw/zinc/41/31/78/644413178.db2.gz ASQXMSGHKKAESW-YPMHNXCESA-N 1 3 244.379 0.691 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923412759 644413250 /nfs/dbraw/zinc/41/32/50/644413250.db2.gz ASQXMSGHKKAESW-DGCLKSJQSA-N 1 3 244.379 0.691 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000923412759 644413254 /nfs/dbraw/zinc/41/32/54/644413254.db2.gz ASQXMSGHKKAESW-DGCLKSJQSA-N 1 3 244.379 0.691 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000923412643 644414063 /nfs/dbraw/zinc/41/40/63/644414063.db2.gz RYRJGHWVBNMZKV-OLZOCXBDSA-N 1 3 244.379 0.977 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000923412643 644414064 /nfs/dbraw/zinc/41/40/64/644414064.db2.gz RYRJGHWVBNMZKV-OLZOCXBDSA-N 1 3 244.379 0.977 20 0 BCADHO CCOCC[C@H](O)C[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000923422807 644418957 /nfs/dbraw/zinc/41/89/57/644418957.db2.gz SGNIUDSHLROUNN-HBNTYKKESA-N 1 3 230.352 0.489 20 0 BCADHO CCOCC[C@H](O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000923422807 644418964 /nfs/dbraw/zinc/41/89/64/644418964.db2.gz SGNIUDSHLROUNN-HBNTYKKESA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)OCC[C@H](O)C[N@@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430554 644424559 /nfs/dbraw/zinc/42/45/59/644424559.db2.gz NBRRFGWKNPPOOX-RYUDHWBXSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OCC[C@H](O)C[N@H+]1C[C@H](N)C(C)(C)C1 ZINC000923430554 644424561 /nfs/dbraw/zinc/42/45/61/644424561.db2.gz NBRRFGWKNPPOOX-RYUDHWBXSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OCC[C@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430552 644425524 /nfs/dbraw/zinc/42/55/24/644425524.db2.gz NBRRFGWKNPPOOX-NWDGAFQWSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OCC[C@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430552 644425527 /nfs/dbraw/zinc/42/55/27/644425527.db2.gz NBRRFGWKNPPOOX-NWDGAFQWSA-N 1 3 244.379 0.832 20 0 BCADHO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@@H]1CNCCO1 ZINC000923436869 644427906 /nfs/dbraw/zinc/42/79/06/644427906.db2.gz SVTPRHPIFIVMRK-YFKTTZPYSA-N 1 3 227.352 0.046 20 0 BCADHO C=C/C=C/CC[NH+]1CCNCCNCC1 ZINC000923460778 644446520 /nfs/dbraw/zinc/44/65/20/644446520.db2.gz QURCDVKHNVDNDE-ONEGZZNKSA-N 1 3 209.337 0.614 20 0 BCADHO CC1(C)CO[C@H](CN2CCNCC[NH2+]CC2)C1 ZINC000923461559 644447491 /nfs/dbraw/zinc/44/74/91/644447491.db2.gz ZBKRIIVYELSTKT-LBPRGKRZSA-N 1 3 241.379 0.296 20 0 BCADHO CC[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790480 644452499 /nfs/dbraw/zinc/45/24/99/644452499.db2.gz LBAWTEISVDKCOE-GRYCIOLGSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790480 644452503 /nfs/dbraw/zinc/45/25/03/644452503.db2.gz LBAWTEISVDKCOE-GRYCIOLGSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H]1CN(Cc2cncn2C)CC[C@@H]1C[NH3+] ZINC000923497315 644472746 /nfs/dbraw/zinc/47/27/46/644472746.db2.gz DOIDRTBAAJAOLV-WDEREUQCSA-N 1 3 222.336 0.837 20 0 BCADHO CCN1CC[C@@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923522244 644486716 /nfs/dbraw/zinc/48/67/16/644486716.db2.gz QRKGUQASIWQTOJ-QJPTWQEYSA-N 1 3 237.347 0.149 20 0 BCADHO CN(C)C1(C(=O)N(C)CC[NH+](C)C)CCC1 ZINC000763059418 644654451 /nfs/dbraw/zinc/65/44/51/644654451.db2.gz SZIRKNJOHODWRL-UHFFFAOYSA-N 1 3 227.352 0.491 20 0 BCADHO CCOC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000251898161 644829607 /nfs/dbraw/zinc/82/96/07/644829607.db2.gz WOUNUJHSEBOHDR-TUAOUCFPSA-N 1 3 230.352 0.443 20 0 BCADHO CCOC[C@H](O)CN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000251898163 644831076 /nfs/dbraw/zinc/83/10/76/644831076.db2.gz WOUNUJHSEBOHDR-UTUOFQBUSA-N 1 3 230.352 0.443 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000304354086 644895741 /nfs/dbraw/zinc/89/57/41/644895741.db2.gz LGTVDTCCPSYAEK-ILDUYXDCSA-N 1 3 225.336 0.500 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000304414950 644904407 /nfs/dbraw/zinc/90/44/07/644904407.db2.gz YTWDGVGTCLHRAG-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000304414950 644904411 /nfs/dbraw/zinc/90/44/11/644904411.db2.gz YTWDGVGTCLHRAG-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC1CC1 ZINC000304414950 644904414 /nfs/dbraw/zinc/90/44/14/644904414.db2.gz YTWDGVGTCLHRAG-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1C ZINC000928428230 645743162 /nfs/dbraw/zinc/74/31/62/645743162.db2.gz VUVVBODZGLHZGS-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)CN1 ZINC000876796549 645786882 /nfs/dbraw/zinc/78/68/82/645786882.db2.gz GEXRNXRYDWKHHW-JBDRJPRFSA-N 1 3 247.289 0.035 20 0 BCADHO CC(C)OC1CC(NC[C@@H](O)C[NH+](C)C)C1 ZINC000924995295 646154333 /nfs/dbraw/zinc/15/43/33/646154333.db2.gz VCHMGLDRLOFTSK-MOENNCHZSA-N 1 3 230.352 0.455 20 0 BCADHO CC[C@H](CO)[NH+]1CCC(N(C)CCCO)CC1 ZINC000929656811 646226111 /nfs/dbraw/zinc/22/61/11/646226111.db2.gz HYWSKSZQBYOMST-GFCCVEGCSA-N 1 3 244.379 0.536 20 0 BCADHO C(N[C@@H]1C[NH2+]CCOC1)C1CCSCC1 ZINC000925485158 646296341 /nfs/dbraw/zinc/29/63/41/646296341.db2.gz BNGLNOJIOGLJBM-LLVKDONJSA-N 1 3 230.377 0.708 20 0 BCADHO COCCCN(C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925520323 646310629 /nfs/dbraw/zinc/31/06/29/646310629.db2.gz XCLBGODCTKFEMN-LBPRGKRZSA-N 1 3 243.395 0.685 20 0 BCADHO C[C@@H](CN1CCCCC1)N[C@@H]1C[NH2+]CCOC1 ZINC000925535982 646321586 /nfs/dbraw/zinc/32/15/86/646321586.db2.gz BGMIHEUUWYRKNM-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1CCCN(CCN[C@H]2C[NH2+]CCOC2)C1 ZINC000925550389 646327120 /nfs/dbraw/zinc/32/71/20/646327120.db2.gz LUDUNSGZYZGCBZ-OLZOCXBDSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCO[C@@H]1CCOC1 ZINC000925550559 646329350 /nfs/dbraw/zinc/32/93/50/646329350.db2.gz BNQPHIKWFMCYBY-YNEHKIRRSA-N 1 3 242.363 0.912 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925570403 646340493 /nfs/dbraw/zinc/34/04/93/646340493.db2.gz ADEVGDZCNVYIPO-KXUCPTDWSA-N 1 3 227.352 0.746 20 0 BCADHO CCN1CCCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925574510 646342373 /nfs/dbraw/zinc/34/23/73/646342373.db2.gz RKKJXNIOCPCPEN-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO N[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925689893 646416612 /nfs/dbraw/zinc/41/66/12/646416612.db2.gz DBWQEAADGDWGEZ-ZNSHCXBVSA-N 1 3 210.321 0.759 20 0 BCADHO CC1(C)NCC[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000925707295 646432162 /nfs/dbraw/zinc/43/21/62/646432162.db2.gz OVTSBRGJGXIEJL-SNVBAGLBSA-N 1 3 248.392 0.541 20 0 BCADHO CCC1([NH3+])CCN([C@H](C)CC(N)=O)CC1 ZINC000925758999 646466083 /nfs/dbraw/zinc/46/60/83/646466083.db2.gz JVWZEQRCXFDBLU-SECBINFHSA-N 1 3 213.325 0.454 20 0 BCADHO Nc1ccnc(CN[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000925765784 646466996 /nfs/dbraw/zinc/46/69/96/646466996.db2.gz FHFWPGLLORQFSN-WDEREUQCSA-N 1 3 206.293 0.633 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@H](C)O1 ZINC000925783091 646478785 /nfs/dbraw/zinc/47/87/85/646478785.db2.gz BXRPZZNEUOGUPW-GCHJQGSQSA-N 1 3 212.337 0.997 20 0 BCADHO Cc1cc(CCNC2CC[NH2+]CC2)nn1C ZINC000925833301 646501422 /nfs/dbraw/zinc/50/14/22/646501422.db2.gz HSOFJIBXNDBBSC-UHFFFAOYSA-N 1 3 222.336 0.613 20 0 BCADHO Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2CN)nn1C ZINC000925834275 646503099 /nfs/dbraw/zinc/50/30/99/646503099.db2.gz MEWHRCKZTYPZPR-WCQYABFASA-N 1 3 236.363 0.988 20 0 BCADHO Cc1cc(CCN[C@@H]2CCC[C@H]2C[NH3+])nn1C ZINC000925834275 646503102 /nfs/dbraw/zinc/50/31/02/646503102.db2.gz MEWHRCKZTYPZPR-WCQYABFASA-N 1 3 236.363 0.988 20 0 BCADHO Cn1ccc(CC[NH2+]C2[C@@H]3CC[C@H]2CN(C)C3)n1 ZINC000926171031 646589272 /nfs/dbraw/zinc/58/92/72/646589272.db2.gz NLIWEDQSBLFZRS-ONXXMXGDSA-N 1 3 248.374 0.892 20 0 BCADHO C[C@@H](NCCOCC[NH+](C)C)c1ccnnc1 ZINC000926252882 646605448 /nfs/dbraw/zinc/60/54/48/646605448.db2.gz FCHXUIKPTBDFOC-LLVKDONJSA-N 1 3 238.335 0.705 20 0 BCADHO C[C@H](NCCOCC[NH+](C)C)c1ccnnc1 ZINC000926252883 646605989 /nfs/dbraw/zinc/60/59/89/646605989.db2.gz FCHXUIKPTBDFOC-NSHDSACASA-N 1 3 238.335 0.705 20 0 BCADHO CCN1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000722355748 711745253 /nfs/dbraw/zinc/74/52/53/711745253.db2.gz GUAOCEQILQZCIK-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721835312 711779456 /nfs/dbraw/zinc/77/94/56/711779456.db2.gz FTRRWRJBYMXDRQ-NEPJUHHUSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C(C)(C)O)C1 ZINC000721835312 711779457 /nfs/dbraw/zinc/77/94/57/711779457.db2.gz FTRRWRJBYMXDRQ-NEPJUHHUSA-N 1 3 244.379 0.392 20 0 BCADHO OC[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000160686422 711809317 /nfs/dbraw/zinc/80/93/17/711809317.db2.gz PHMFYQNKNQAXHV-CYBMUJFWSA-N 1 3 242.363 0.147 20 0 BCADHO CC[C@H](CO)[NH2+]CC[C@@H]1CCCN1C ZINC000707891350 712172244 /nfs/dbraw/zinc/17/22/44/712172244.db2.gz CUBIMLVGOAXZBL-MNOVXSKESA-N 1 3 200.326 0.831 20 0 BCADHO C[C@H]1COC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000710845030 712258955 /nfs/dbraw/zinc/25/89/55/712258955.db2.gz MFVASIATTOFYQP-QWRGUYRKSA-N 1 3 228.336 0.068 20 0 BCADHO CN1CC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712558487 712445887 /nfs/dbraw/zinc/44/58/87/712445887.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712558487 712445888 /nfs/dbraw/zinc/44/58/88/712445888.db2.gz PQRCPAHXDWTULI-FRRDWIJNSA-N 1 3 223.364 0.907 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NCCN1CCCC1 ZINC000037481417 712648255 /nfs/dbraw/zinc/64/82/55/712648255.db2.gz JRAXMJFRLKYXLN-LBPRGKRZSA-N 1 3 227.352 0.716 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718408042 712759518 /nfs/dbraw/zinc/75/95/18/712759518.db2.gz WRWFBIZWNVIONX-YIYTYNFBSA-N 1 3 225.336 0.357 20 0 BCADHO NC(=O)CC1CC(N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000718554175 712769058 /nfs/dbraw/zinc/76/90/58/712769058.db2.gz STNYQWITBKZZHO-JPPWEJMLSA-N 1 3 237.347 0.500 20 0 BCADHO C[N@H+](CCCC(C)(F)F)C[C@@H](O)CN ZINC000718721599 712778655 /nfs/dbraw/zinc/77/86/55/712778655.db2.gz ILSSQODUWAFUKM-QMMMGPOBSA-N 1 3 210.268 0.673 20 0 BCADHO C[N@@H+](CCCC(C)(F)F)C[C@@H](O)CN ZINC000718721599 712778657 /nfs/dbraw/zinc/77/86/57/712778657.db2.gz ILSSQODUWAFUKM-QMMMGPOBSA-N 1 3 210.268 0.673 20 0 BCADHO CN(CCCC(C)(F)F)C[C@@H](O)C[NH3+] ZINC000718721599 712778658 /nfs/dbraw/zinc/77/86/58/712778658.db2.gz ILSSQODUWAFUKM-QMMMGPOBSA-N 1 3 210.268 0.673 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000038029466 712799973 /nfs/dbraw/zinc/79/99/73/712799973.db2.gz ACBMTIJIOPACQO-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720896719 712876744 /nfs/dbraw/zinc/87/67/44/712876744.db2.gz DHSIGCVARHPOKH-SRVKXCTJSA-N 1 3 239.363 0.665 20 0 BCADHO CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028039 710717167 /nfs/dbraw/zinc/71/71/67/710717167.db2.gz LZKYIVLIBMDYPU-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028039 710717171 /nfs/dbraw/zinc/71/71/71/710717171.db2.gz LZKYIVLIBMDYPU-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCC[C@@H]1CC(=O)N(C)C1 ZINC000723599119 710729353 /nfs/dbraw/zinc/72/93/53/710729353.db2.gz IIBNMKMIBSEGOU-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1CCO[C@@H]1CCOC1 ZINC000724921488 710749183 /nfs/dbraw/zinc/74/91/83/710749183.db2.gz LTGPIVLIDNFEOC-QWHCGFSZSA-N 1 3 242.363 0.995 20 0 BCADHO C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000382924305 710974554 /nfs/dbraw/zinc/97/45/54/710974554.db2.gz SUMWKYOZAARMJQ-JHJVBQTASA-N 1 3 242.363 0.146 20 0 BCADHO [NH3+][C@H](CC(F)F)CN1CCN(CC2CC2)CC1 ZINC000383338852 710979956 /nfs/dbraw/zinc/97/99/56/710979956.db2.gz JRQBKTWCSWNVHW-LLVKDONJSA-N 1 3 247.333 0.997 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000389638141 711084183 /nfs/dbraw/zinc/08/41/83/711084183.db2.gz KCDUZFHDMPSXEV-ZYHUDNBSSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CCO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396591288 711356389 /nfs/dbraw/zinc/35/63/89/711356389.db2.gz TZNWWCNRHAXCTD-VWYCJHECSA-N 1 3 200.326 0.735 20 0 BCADHO Cc1nccn1CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396609329 711360029 /nfs/dbraw/zinc/36/00/29/711360029.db2.gz AYJQBAHEPHQRJV-ZYHUDNBSSA-N 1 3 222.336 0.922 20 0 BCADHO Cc1nccn1CC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396609329 711360033 /nfs/dbraw/zinc/36/00/33/711360033.db2.gz AYJQBAHEPHQRJV-ZYHUDNBSSA-N 1 3 222.336 0.922 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCN(C2CC2)C1 ZINC000396707767 711366823 /nfs/dbraw/zinc/36/68/23/711366823.db2.gz NWOCVKZXVDQBRR-GVXVVHGQSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1NCCC[C@H]1[NH2+]CCN1CCSCC1 ZINC000396732479 711369271 /nfs/dbraw/zinc/36/92/71/711369271.db2.gz YAUQJBQYSOKDPV-NWDGAFQWSA-N 1 3 243.420 0.765 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCOCCO ZINC000396726468 711369570 /nfs/dbraw/zinc/36/95/70/711369570.db2.gz YWLCUEQROGNJBA-MNOVXSKESA-N 1 3 216.325 0.116 20 0 BCADHO CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016357 711429958 /nfs/dbraw/zinc/42/99/58/711429958.db2.gz VEMAAHJUARUDAJ-UHFFFAOYSA-N 1 3 248.330 0.506 20 0 BCADHO CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001073016357 711429964 /nfs/dbraw/zinc/42/99/64/711429964.db2.gz VEMAAHJUARUDAJ-UHFFFAOYSA-N 1 3 248.330 0.506 20 0 BCADHO Cn1cnc(CNCC2CC[NH+](C)CC2)c1 ZINC000381309788 710619603 /nfs/dbraw/zinc/61/96/03/710619603.db2.gz NHDRKGXXXWTMNO-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO COC[C@@H](CN1CC[C@@H]([NH3+])C1)C(C)C ZINC000721963820 710694522 /nfs/dbraw/zinc/69/45/22/710694522.db2.gz LVZUVYDBLURWEX-GHMZBOCLSA-N 1 3 200.326 0.938 20 0 BCADHO CC[NH2+]CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000381486441 710644958 /nfs/dbraw/zinc/64/49/58/710644958.db2.gz IYRLYSFXNUOOOL-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO COCC(COC)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000384891219 711000143 /nfs/dbraw/zinc/00/01/43/711000143.db2.gz YFGQFOJTPZQPNT-GHMZBOCLSA-N 1 3 230.352 0.707 20 0 BCADHO CN1CCC[C@H]1CC[NH2+][C@@H](CO)C1CC1 ZINC000389985830 711102163 /nfs/dbraw/zinc/10/21/63/711102163.db2.gz LZVHFUCVNDBHJO-RYUDHWBXSA-N 1 3 212.337 0.831 20 0 BCADHO CC(C)[C@H](CO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000396640783 711363038 /nfs/dbraw/zinc/36/30/38/711363038.db2.gz MQFSVGSWNSDXPU-SRVKXCTJSA-N 1 3 214.353 0.981 20 0 BCADHO Cn1nccc1CN1CC[C@H](CC[NH3+])C1 ZINC000723710425 711535631 /nfs/dbraw/zinc/53/56/31/711535631.db2.gz UPZZPGBRPKKQTG-JTQLQIEISA-N 1 3 208.309 0.591 20 0 BCADHO COC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901468 711545061 /nfs/dbraw/zinc/54/50/61/711545061.db2.gz PKYSTGFPSMEWFN-OPRDCNLKSA-N 1 3 214.309 0.465 20 0 BCADHO C[C@H](CCCO)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396570601 711701876 /nfs/dbraw/zinc/70/18/76/711701876.db2.gz LCUZFPABGBVVPJ-GMTAPVOTSA-N 1 3 200.326 0.878 20 0 BCADHO CC(C)N1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000390550066 711708580 /nfs/dbraw/zinc/70/85/80/711708580.db2.gz XEXRZBJYLHUUEF-JTQLQIEISA-N 1 3 235.322 0.995 20 0 BCADHO COCC[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702125560 712039530 /nfs/dbraw/zinc/03/95/30/712039530.db2.gz MSZPGZWBMJCCKO-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO COC1CC(CN2CCCO[C@H](C[NH3+])C2)C1 ZINC000703854475 712090391 /nfs/dbraw/zinc/09/03/91/712090391.db2.gz LBWBVFNNLFRARH-HTAVTVPLSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCOC1)[NH2+]2 ZINC000709385168 712220585 /nfs/dbraw/zinc/22/05/85/712220585.db2.gz JANBVFBNQPADCW-IIRVCBMXSA-N 1 3 210.321 0.894 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCOC1)[NH2+]2 ZINC000709385170 712220596 /nfs/dbraw/zinc/22/05/96/712220596.db2.gz JANBVFBNQPADCW-ROHXPCBUSA-N 1 3 210.321 0.894 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)C1 ZINC000711308651 712294189 /nfs/dbraw/zinc/29/41/89/712294189.db2.gz AWDXRIUKKSEMHF-WDEREUQCSA-N 1 3 239.363 0.442 20 0 BCADHO CN(CC1CC1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923479745 712334256 /nfs/dbraw/zinc/33/42/56/712334256.db2.gz CNXPJRDPLBKRCN-GFCCVEGCSA-N 1 3 239.363 0.526 20 0 BCADHO CCOCC(C)(C)NC[C@@H](O)C[NH+]1CCCC1 ZINC000379159181 712370290 /nfs/dbraw/zinc/37/02/90/712370290.db2.gz JEOLHAQMRNYETR-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO CCN1CC[C@H]1C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000712577590 712432616 /nfs/dbraw/zinc/43/26/16/712432616.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@H]1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000712577590 712432617 /nfs/dbraw/zinc/43/26/17/712432617.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 1 3 241.379 0.125 20 0 BCADHO CCN1CC[C@H]1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000712577590 712432618 /nfs/dbraw/zinc/43/26/18/712432618.db2.gz GTYNJGOTMVJWCR-STQMWFEESA-N 1 3 241.379 0.125 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712632406 712439188 /nfs/dbraw/zinc/43/91/88/712439188.db2.gz LPFGHJHTVOFIIO-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCN1CC[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000712576969 712448345 /nfs/dbraw/zinc/44/83/45/712448345.db2.gz COHMWTPILNNNBQ-STQMWFEESA-N 1 3 241.379 0.127 20 0 BCADHO CN(C)C(=O)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000714436599 712486509 /nfs/dbraw/zinc/48/65/09/712486509.db2.gz HUWUGYOQNOUAFQ-UHFFFAOYSA-N 1 3 241.379 0.772 20 0 BCADHO CC1(CN[C@@H]2CCCC[C@@H]2C[NH3+])OCCO1 ZINC000716792781 712573967 /nfs/dbraw/zinc/57/39/67/712573967.db2.gz JDUUUIUCQIFQCX-GHMZBOCLSA-N 1 3 228.336 0.857 20 0 BCADHO CC1(CN[C@@H]2CCC[C@H]2C[NH3+])OCCO1 ZINC000716823389 712576820 /nfs/dbraw/zinc/57/68/20/712576820.db2.gz YSKARDCBIBZNRN-VHSXEESVSA-N 1 3 214.309 0.466 20 0 BCADHO OC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644495 712662876 /nfs/dbraw/zinc/66/28/76/712662876.db2.gz HBFKJCFEGIYPJV-OLZOCXBDSA-N 1 3 242.363 0.194 20 0 BCADHO COCC(COC)N1CCC[C@H](C[NH3+])C1 ZINC000384949420 712707106 /nfs/dbraw/zinc/70/71/06/712707106.db2.gz LKMTTYAFWCTEJN-SNVBAGLBSA-N 1 3 216.325 0.319 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718408024 712759658 /nfs/dbraw/zinc/75/96/58/712759658.db2.gz WRWFBIZWNVIONX-DJRKXVOMSA-N 1 3 225.336 0.357 20 0 BCADHO CN(CCOCC[NH3+])CCc1ccns1 ZINC000719887170 712826603 /nfs/dbraw/zinc/82/66/03/712826603.db2.gz ROUOSGIXQINZDO-UHFFFAOYSA-N 1 3 229.349 0.593 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720887328 712874185 /nfs/dbraw/zinc/87/41/85/712874185.db2.gz IGLRSSRZABZGIK-SDDRHHMPSA-N 1 3 239.363 0.680 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903811 712875116 /nfs/dbraw/zinc/87/51/16/712875116.db2.gz VVXRJURUSZHLFI-SRVKXCTJSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904081 712875896 /nfs/dbraw/zinc/87/58/96/712875896.db2.gz WOYQZWDYQAPBGX-NEPJUHHUSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CC(N)=O)CC1 ZINC000721039963 712887768 /nfs/dbraw/zinc/88/77/68/712887768.db2.gz MQIZMDOUBXAZJO-PWSUYJOCSA-N 1 3 239.363 0.429 20 0 BCADHO O[C@H](CN[C@H]1CC12CCC2)C[NH+]1CCCC1 ZINC000721173794 712894757 /nfs/dbraw/zinc/89/47/57/712894757.db2.gz FXOVZSYWVVOUJI-NEPJUHHUSA-N 1 3 224.348 0.975 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062076639 349437721 /nfs/dbraw/zinc/43/77/21/349437721.db2.gz SICJGYHVZPDTTQ-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000082993303 349443163 /nfs/dbraw/zinc/44/31/63/349443163.db2.gz QWGNDQYJUCAQCU-YEJSDXFRSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000082993303 349443166 /nfs/dbraw/zinc/44/31/66/349443166.db2.gz QWGNDQYJUCAQCU-YEJSDXFRSA-N 1 3 212.337 0.972 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000649318557 398141862 /nfs/dbraw/zinc/14/18/62/398141862.db2.gz VVVKZPUCQAVNOG-NNYUYHANSA-N 1 3 237.347 0.004 20 0 BCADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649322628 398144691 /nfs/dbraw/zinc/14/46/91/398144691.db2.gz AUCQBSUMAHAYQY-XQHKEYJVSA-N 1 3 249.358 0.337 20 0 BCADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224356012 398147103 /nfs/dbraw/zinc/14/71/03/398147103.db2.gz VNIVRVVQKYSUAU-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224356012 398147106 /nfs/dbraw/zinc/14/71/06/398147106.db2.gz VNIVRVVQKYSUAU-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N1CCCN(C(=O)CCC[NH3+])CC1 ZINC000257777264 349483474 /nfs/dbraw/zinc/48/34/74/349483474.db2.gz MRSSZVFEPONSFF-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CNCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000257777424 349483801 /nfs/dbraw/zinc/48/38/01/349483801.db2.gz DYOBJDYBENUYEW-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889456 349495320 /nfs/dbraw/zinc/49/53/20/349495320.db2.gz SJCAHVFPEPQXLA-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062903017 349495955 /nfs/dbraw/zinc/49/59/55/349495955.db2.gz SEGXZCMJLQVGSH-CYBMUJFWSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062903019 349496201 /nfs/dbraw/zinc/49/62/01/349496201.db2.gz SEGXZCMJLQVGSH-ZDUSSCGKSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973245 349503443 /nfs/dbraw/zinc/50/34/43/349503443.db2.gz OOMBHGGLDLPKBD-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCN1C ZINC000649333369 398149905 /nfs/dbraw/zinc/14/99/05/398149905.db2.gz PHKGJGFXJPZLFN-MJDLHHQISA-N 1 3 237.347 0.336 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CC[C@H](C)C1 ZINC000649341581 398158104 /nfs/dbraw/zinc/15/81/04/398158104.db2.gz JCRKRQYFNAMQNL-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)[NH3+])N(CC)CC ZINC000649359827 398171724 /nfs/dbraw/zinc/17/17/24/398171724.db2.gz FAYPPYYHYICXGL-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000649359806 398171754 /nfs/dbraw/zinc/17/17/54/398171754.db2.gz CDGMOCPXBYQQRZ-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000649359805 398171918 /nfs/dbraw/zinc/17/19/18/398171918.db2.gz CDGMOCPXBYQQRZ-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000379992850 398179744 /nfs/dbraw/zinc/17/97/44/398179744.db2.gz YNYRYCCOLBHCBW-JTQLQIEISA-N 1 3 200.326 0.818 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000379992850 398179746 /nfs/dbraw/zinc/17/97/46/398179746.db2.gz YNYRYCCOLBHCBW-JTQLQIEISA-N 1 3 200.326 0.818 20 0 BCADHO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424292200 398180788 /nfs/dbraw/zinc/18/07/88/398180788.db2.gz OJOWQEKFIZSIKH-GHMZBOCLSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1CN(CCN[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424293690 398181348 /nfs/dbraw/zinc/18/13/48/398181348.db2.gz PPGSISDRDKAXQA-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000576224804 365529319 /nfs/dbraw/zinc/52/93/19/365529319.db2.gz CPOXWYFGCPXWPC-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000576281152 365549625 /nfs/dbraw/zinc/54/96/25/365549625.db2.gz VTYPWSVMABGRHO-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000576281152 365549629 /nfs/dbraw/zinc/54/96/29/365549629.db2.gz VTYPWSVMABGRHO-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCCc1ncn(C)n1 ZINC000647801233 398207682 /nfs/dbraw/zinc/20/76/82/398207682.db2.gz RYMOMQNFZGNTAE-VHSXEESVSA-N 1 3 225.340 0.463 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+]CCCc1ncn(C)n1 ZINC000647801233 398207688 /nfs/dbraw/zinc/20/76/88/398207688.db2.gz RYMOMQNFZGNTAE-VHSXEESVSA-N 1 3 225.340 0.463 20 0 BCADHO CCN1CCC[C@@H](NC(=O)NCCCC[NH3+])C1 ZINC000417217125 398211246 /nfs/dbraw/zinc/21/12/46/398211246.db2.gz QLEYKSALFQTZSH-LLVKDONJSA-N 1 3 242.367 0.509 20 0 BCADHO CN(CC[C@H]1CC[NH2+]C1)Cc1cn[nH]c1 ZINC000649413577 398212304 /nfs/dbraw/zinc/21/23/04/398212304.db2.gz MAOGBWYDPBBYDW-SNVBAGLBSA-N 1 3 208.309 0.841 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC(C[NH3+])CC1 ZINC000576397750 365585066 /nfs/dbraw/zinc/58/50/66/365585066.db2.gz KPIWUYZDUHVADU-LBPRGKRZSA-N 1 3 227.352 0.701 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000111612228 398236380 /nfs/dbraw/zinc/23/63/80/398236380.db2.gz MECIPDXGQBOQNT-NXEZZACHSA-N 1 3 239.363 0.713 20 0 BCADHO CCC(CC)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000308932924 168361134 /nfs/dbraw/zinc/36/11/34/168361134.db2.gz MWRHCDZMOGWOPD-MNOVXSKESA-N 1 3 200.326 0.593 20 0 BCADHO CCC(CC)C[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000308932924 168361137 /nfs/dbraw/zinc/36/11/37/168361137.db2.gz MWRHCDZMOGWOPD-MNOVXSKESA-N 1 3 200.326 0.593 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CN1 ZINC000576581349 365630343 /nfs/dbraw/zinc/63/03/43/365630343.db2.gz FFLKASRVZNITGV-BJDJZHNGSA-N 1 3 239.363 0.583 20 0 BCADHO Cc1c[nH+]ccc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580903391 398250514 /nfs/dbraw/zinc/25/05/14/398250514.db2.gz SRGJKTJSCFBJQU-GHMZBOCLSA-N 1 3 246.314 0.138 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000323018458 259309377 /nfs/dbraw/zinc/30/93/77/259309377.db2.gz IWHUPDQEDUYTPX-AXFHLTTASA-N 1 3 227.352 0.631 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000576701631 365663060 /nfs/dbraw/zinc/66/30/60/365663060.db2.gz LDNWKMHRUQEXEM-DTWKUNHWSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000576756639 365672064 /nfs/dbraw/zinc/67/20/64/365672064.db2.gz OHEZHYFZFIBZER-HCWXCVPCSA-N 1 3 227.230 0.118 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1NCC1(C)C ZINC000381566319 398264578 /nfs/dbraw/zinc/26/45/78/398264578.db2.gz SQIZFXIZKCUPOT-IUCAKERBSA-N 1 3 213.325 0.084 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417781419 398267552 /nfs/dbraw/zinc/26/75/52/398267552.db2.gz JSNBVSLUSBBJIE-UWVGGRQHSA-N 1 3 213.325 0.100 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602550992 349592810 /nfs/dbraw/zinc/59/28/10/349592810.db2.gz ATEROQYYDIYAPM-AEJSXWLSSA-N 1 3 245.392 0.324 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418496530 192042472 /nfs/dbraw/zinc/04/24/72/192042472.db2.gz VKFSXLJWSATHSC-GHMZBOCLSA-N 1 3 242.367 0.317 20 0 BCADHO [NH3+]CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000335606316 136236473 /nfs/dbraw/zinc/23/64/73/136236473.db2.gz MZZDDEKBKFYKSZ-LLVKDONJSA-N 1 3 240.351 0.215 20 0 BCADHO C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC000630002577 361889513 /nfs/dbraw/zinc/88/95/13/361889513.db2.gz WTRVIDBDJYJNFI-NSHDSACASA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCC1 ZINC000630000338 361885060 /nfs/dbraw/zinc/88/50/60/361885060.db2.gz ZVMOAINXJVJJEB-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N(C)CCN1CCCC1 ZINC000418500838 192043973 /nfs/dbraw/zinc/04/39/73/192043973.db2.gz ZOYIEUGJVFXYPD-LLVKDONJSA-N 1 3 242.367 0.318 20 0 BCADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000630019139 361901377 /nfs/dbraw/zinc/90/13/77/361901377.db2.gz SZENQRNAHXDOTH-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO c1nc(N2CCNCC2)ncc1C1=CC[NH2+]CC1 ZINC000630050999 361914831 /nfs/dbraw/zinc/91/48/31/361914831.db2.gz HHZUMEYRWPLJER-UHFFFAOYSA-N 1 3 245.330 0.263 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2CCC([NH3+])CC2)C1 ZINC000335464144 398288732 /nfs/dbraw/zinc/28/87/32/398288732.db2.gz IUHOFHBLGIJFMH-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335681816 398292888 /nfs/dbraw/zinc/29/28/88/398292888.db2.gz ZNLUDLQURXUBOH-YPMHNXCESA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000335628244 136241161 /nfs/dbraw/zinc/24/11/61/136241161.db2.gz ZEJFGJNAILEDNU-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000335645122 136243328 /nfs/dbraw/zinc/24/33/28/136243328.db2.gz ZTCAGBMYTREIKF-BJHJDKERSA-N 1 3 245.326 0.643 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418536019 192049050 /nfs/dbraw/zinc/04/90/50/192049050.db2.gz BKVVZEJLQDTXQC-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000167204213 136244647 /nfs/dbraw/zinc/24/46/47/136244647.db2.gz CESMQEFMZZGIDN-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)C ZINC000167332724 136245786 /nfs/dbraw/zinc/24/57/86/136245786.db2.gz TUTPJNIVOOPGBE-UTUOFQBUSA-N 1 3 213.369 0.866 20 0 BCADHO CN(C)CCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418558911 192050368 /nfs/dbraw/zinc/05/03/68/192050368.db2.gz CDCMYDDMGKLORP-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCN(C)C ZINC000418556394 192050472 /nfs/dbraw/zinc/05/04/72/192050472.db2.gz OVWVWBFONPMCHE-GHMZBOCLSA-N 1 3 242.367 0.187 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999081 342915127 /nfs/dbraw/zinc/91/51/27/342915127.db2.gz PIRKIVSQAIRCTO-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH+](C)CCOCCNC[C@@H](O)C(F)(F)F ZINC000234248726 342919108 /nfs/dbraw/zinc/91/91/08/342919108.db2.gz OREMALMYRSSHHZ-MRVPVSSYSA-N 1 3 244.257 0.077 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000037476454 398327778 /nfs/dbraw/zinc/32/77/78/398327778.db2.gz ZQEAZJHPAGSQOV-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1CO ZINC000351650491 136249142 /nfs/dbraw/zinc/24/91/42/136249142.db2.gz OUZKHVKZMJSGSF-WZRBSPASSA-N 1 3 242.363 0.002 20 0 BCADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1CO ZINC000351650491 136249143 /nfs/dbraw/zinc/24/91/43/136249143.db2.gz OUZKHVKZMJSGSF-WZRBSPASSA-N 1 3 242.363 0.002 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000566859327 323020333 /nfs/dbraw/zinc/02/03/33/323020333.db2.gz TXUHRYSXDXRSNN-GJMOJQLCSA-N 1 3 201.314 0.212 20 0 BCADHO N[C@@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000580309916 346890106 /nfs/dbraw/zinc/89/01/06/346890106.db2.gz RPLDTRBRVHTEAE-WDEREUQCSA-N 1 3 219.288 0.165 20 0 BCADHO CN1CCC(O)(C[NH2+][C@H]2CCCSC2)CC1 ZINC000335596512 398341774 /nfs/dbraw/zinc/34/17/74/398341774.db2.gz UUKYZDGMEKAALR-NSHDSACASA-N 1 3 244.404 0.928 20 0 BCADHO C[N@H+](CCCNC(=O)CN)Cc1ccccc1 ZINC000019438128 342948705 /nfs/dbraw/zinc/94/87/05/342948705.db2.gz DWLMXPIXUPIUGV-UHFFFAOYSA-N 1 3 235.331 0.583 20 0 BCADHO C[N@@H+](CCCNC(=O)CN)Cc1ccccc1 ZINC000019438128 342948706 /nfs/dbraw/zinc/94/87/06/342948706.db2.gz DWLMXPIXUPIUGV-UHFFFAOYSA-N 1 3 235.331 0.583 20 0 BCADHO CC[C@@H]1CCC[N@@H+]1CCN1CCNCC1 ZINC000037914231 343002137 /nfs/dbraw/zinc/00/21/37/343002137.db2.gz PYVNCVDONZFRNC-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO CC[C@@H]1CCC[N@H+]1CCN1CCNCC1 ZINC000037914231 343002140 /nfs/dbraw/zinc/00/21/40/343002140.db2.gz PYVNCVDONZFRNC-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000418623751 192057988 /nfs/dbraw/zinc/05/79/88/192057988.db2.gz XFKCAENUCTUOAO-JTQLQIEISA-N 1 3 230.356 0.315 20 0 BCADHO CN(C)CCN(C(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCC1 ZINC000050463403 343022352 /nfs/dbraw/zinc/02/23/52/343022352.db2.gz IYGZYXFRHOQYHA-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089362 343059080 /nfs/dbraw/zinc/05/90/80/343059080.db2.gz UOFYPLZWXIIIHA-ONGXEEELSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@](C)(N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000384202133 343064138 /nfs/dbraw/zinc/06/41/38/343064138.db2.gz LXVFALAYYHKRFU-LBPRGKRZSA-N 1 3 237.351 0.958 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)N ZINC000236835216 259346452 /nfs/dbraw/zinc/34/64/52/259346452.db2.gz RQNLZDLCRNWXMJ-RKDXNWHRSA-N 1 3 201.314 0.165 20 0 BCADHO CC(C)[C@@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000584882022 343083361 /nfs/dbraw/zinc/08/33/61/343083361.db2.gz XTYNVBBSKZURHJ-PSASIEDQSA-N 1 3 209.297 0.468 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236649222 343105734 /nfs/dbraw/zinc/10/57/34/343105734.db2.gz TXFKHYQAZRRMQC-QWRGUYRKSA-N 1 3 227.352 0.557 20 0 BCADHO CC[NH2+]CC1CCN([C@H](C)C(N)=O)CC1 ZINC000082645680 362074506 /nfs/dbraw/zinc/07/45/06/362074506.db2.gz RSGXAXUCNGKPPY-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000236996579 343116804 /nfs/dbraw/zinc/11/68/04/343116804.db2.gz WGBLTYXHJDEVSR-ONGXEEELSA-N 1 3 227.352 0.570 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000236992709 343117019 /nfs/dbraw/zinc/11/70/19/343117019.db2.gz ZCWXIKNHFYGPIF-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]1CN(C)CCN1C[C@H]1CCC[NH2+]C1 ZINC000251712811 343125275 /nfs/dbraw/zinc/12/52/75/343125275.db2.gz JNEJUWQHHRHPLY-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000237212860 343130976 /nfs/dbraw/zinc/13/09/76/343130976.db2.gz MGLYDUHMNSNTNF-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CNCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000237283699 343132860 /nfs/dbraw/zinc/13/28/60/343132860.db2.gz OKVDNSCXEKBSOV-UHFFFAOYSA-N 1 3 207.277 0.564 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237405101 343138006 /nfs/dbraw/zinc/13/80/06/343138006.db2.gz QKVXIASCOQQOPB-GMTAPVOTSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@H](C(=O)NCCC[NH3+])[C@@H](N)c1ccccc1 ZINC000131714581 343184486 /nfs/dbraw/zinc/18/44/86/343184486.db2.gz NRGAZYGDKLXEOP-CMPLNLGQSA-N 1 3 235.331 0.788 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000418690603 192061257 /nfs/dbraw/zinc/06/12/57/192061257.db2.gz CXPIMZZWKVLGPS-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418694030 192061346 /nfs/dbraw/zinc/06/13/46/192061346.db2.gz HLSUUKZIHPZAMC-GARJFASQSA-N 1 3 242.367 0.458 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000576967039 365737046 /nfs/dbraw/zinc/73/70/46/365737046.db2.gz GXIWYLXDHPCNAD-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000576967039 365737052 /nfs/dbraw/zinc/73/70/52/365737052.db2.gz GXIWYLXDHPCNAD-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H](NC(=O)N(C)CCN1CCCC1)[C@H](C)[NH3+] ZINC000418690606 192060923 /nfs/dbraw/zinc/06/09/23/192060923.db2.gz CXPIMZZWKVLGPS-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000129081128 343176038 /nfs/dbraw/zinc/17/60/38/343176038.db2.gz XPYQBTPMGIMFMN-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000129081128 343176040 /nfs/dbraw/zinc/17/60/40/343176040.db2.gz XPYQBTPMGIMFMN-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO NC1(C(=O)NCC[NH+]2CCCCCC2)CCC1 ZINC000148077507 343195992 /nfs/dbraw/zinc/19/59/92/343195992.db2.gz PGJHAFAZYVYDQG-UHFFFAOYSA-N 1 3 239.363 0.860 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CNC2CC2)CC[N@@H+]1C ZINC000157885878 343200428 /nfs/dbraw/zinc/20/04/28/343200428.db2.gz JVQOTCXKYGWXKD-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CNC2CC2)CC[N@H+]1C ZINC000157885878 343200429 /nfs/dbraw/zinc/20/04/29/343200429.db2.gz JVQOTCXKYGWXKD-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC[NH2+]C2CC2)CCN1C ZINC000157877272 343200460 /nfs/dbraw/zinc/20/04/60/343200460.db2.gz MVLGVVHFTDQNDO-JQWIXIFHSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000161081301 343203956 /nfs/dbraw/zinc/20/39/56/343203956.db2.gz IEZDGSFOMDCTSF-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO COC[C@H](C)C[N@@H+]1CCC[C@H](CN)C1 ZINC000163536492 343206886 /nfs/dbraw/zinc/20/68/86/343206886.db2.gz AMIQBOVPCKCZJV-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@H](C)C[N@H+]1CCC[C@H](CN)C1 ZINC000163536492 343206887 /nfs/dbraw/zinc/20/68/87/343206887.db2.gz AMIQBOVPCKCZJV-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@H](C)CN1CCC[C@H](C[NH3+])C1 ZINC000163536492 343206888 /nfs/dbraw/zinc/20/68/88/343206888.db2.gz AMIQBOVPCKCZJV-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)N(C)C)C1 ZINC000168558281 343210352 /nfs/dbraw/zinc/21/03/52/343210352.db2.gz ODKKJJWPPUYQQK-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N(C)CCN(C)C1CC1 ZINC000418697143 192061778 /nfs/dbraw/zinc/06/17/78/192061778.db2.gz LMHWYJPWBSPNDC-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N(C)CCN(C)C1CC1 ZINC000418697144 192061853 /nfs/dbraw/zinc/06/18/53/192061853.db2.gz LMHWYJPWBSPNDC-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[NH2+]CCOCCN(C)CCc1ccnn1C ZINC000634687937 343245841 /nfs/dbraw/zinc/24/58/41/343245841.db2.gz DEFMOIKWVACEFB-UHFFFAOYSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000569808643 323041063 /nfs/dbraw/zinc/04/10/63/323041063.db2.gz BETFXWDWSKGVBB-VIFPVBQESA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077304748 343369097 /nfs/dbraw/zinc/36/90/97/343369097.db2.gz XDPZZXUDFSVZAH-GFCCVEGCSA-N 1 3 211.353 0.622 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000077304748 343369098 /nfs/dbraw/zinc/36/90/98/343369098.db2.gz XDPZZXUDFSVZAH-GFCCVEGCSA-N 1 3 211.353 0.622 20 0 BCADHO NC(C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000569843587 323042687 /nfs/dbraw/zinc/04/26/87/323042687.db2.gz GVCCNUUKRJZGME-VQVTYTSYSA-N 1 3 239.241 0.120 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335648359 136304344 /nfs/dbraw/zinc/30/43/44/136304344.db2.gz GDNFYBRURYNSIX-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH+](C)CC1CCN([C@@H]2CCCNC2=O)CC1 ZINC000335673459 136317190 /nfs/dbraw/zinc/31/71/90/136317190.db2.gz JNSSWDRDNNPVKP-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000335658643 136307501 /nfs/dbraw/zinc/30/75/01/136307501.db2.gz AAPKITKLKQOXCC-WDEREUQCSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000335658643 136307502 /nfs/dbraw/zinc/30/75/02/136307502.db2.gz AAPKITKLKQOXCC-WDEREUQCSA-N 1 3 237.347 0.291 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335678316 136319368 /nfs/dbraw/zinc/31/93/68/136319368.db2.gz YZGWJTUFLGNJFN-CHWSQXEVSA-N 1 3 239.363 0.716 20 0 BCADHO COCCOCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166231175 136315647 /nfs/dbraw/zinc/31/56/47/136315647.db2.gz YHYUMLOTWXLBHV-MNOVXSKESA-N 1 3 216.325 0.319 20 0 BCADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCC1 ZINC000335663406 136315920 /nfs/dbraw/zinc/31/59/20/136315920.db2.gz OYYKFEDURSLHLY-PHIMTYICSA-N 1 3 237.347 0.326 20 0 BCADHO C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000040430931 343402404 /nfs/dbraw/zinc/40/24/04/343402404.db2.gz XFYBZUXCROCCGL-JQWIXIFHSA-N 1 3 235.331 0.753 20 0 BCADHO CN(C)[C@@H](CNC(=O)CC[NH3+])c1ccccc1 ZINC000040802227 343409501 /nfs/dbraw/zinc/40/95/01/343409501.db2.gz TWTYLYUSVXITFT-LBPRGKRZSA-N 1 3 235.331 0.754 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000151735114 343412587 /nfs/dbraw/zinc/41/25/87/343412587.db2.gz OLCJQISNXBYKFG-NSHDSACASA-N 1 3 229.368 0.864 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000166336069 136351834 /nfs/dbraw/zinc/35/18/34/136351834.db2.gz SBZMNHBVMOCNMP-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO NC1(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000335700457 136333677 /nfs/dbraw/zinc/33/36/77/136333677.db2.gz ZUAYLUAGZTVWIY-UHFFFAOYSA-N 1 3 231.299 0.762 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](C)N ZINC000166638827 136362212 /nfs/dbraw/zinc/36/22/12/136362212.db2.gz IMSATVQOGWFACK-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](C)N ZINC000166638827 136362213 /nfs/dbraw/zinc/36/22/13/136362213.db2.gz IMSATVQOGWFACK-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCCC[C@@H](N)C(=O)NCCC[NH2+]C ZINC000083343680 343479062 /nfs/dbraw/zinc/47/90/62/343479062.db2.gz PNIXAEVPMYPRDM-SECBINFHSA-N 1 3 201.314 0.230 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H](N)C2CCC2)C1 ZINC000570165797 323051656 /nfs/dbraw/zinc/05/16/56/323051656.db2.gz CVBOTGPIEDJAPQ-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](N)C2CCC2)C1 ZINC000570165797 323051657 /nfs/dbraw/zinc/05/16/57/323051657.db2.gz CVBOTGPIEDJAPQ-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO O=C(CC[NH2+]C1CC1)NCCN1CCCCC1 ZINC000049575476 343603326 /nfs/dbraw/zinc/60/33/26/343603326.db2.gz HXCOKORHKYKHRP-UHFFFAOYSA-N 1 3 239.363 0.731 20 0 BCADHO CCOCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580565191 365781413 /nfs/dbraw/zinc/78/14/13/365781413.db2.gz YBRJBLVYXYDKNV-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CC[NH+](CC)CCNC(=O)C1(N)CCC1 ZINC000088050005 343698767 /nfs/dbraw/zinc/69/87/67/343698767.db2.gz QVAURYVFMXLMDO-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO [NH3+]C[C@H]1CCCCN1C(=O)CNC1CC1 ZINC000153912811 343706261 /nfs/dbraw/zinc/70/62/61/343706261.db2.gz HBYBSVDNYTUTIO-SNVBAGLBSA-N 1 3 211.309 0.078 20 0 BCADHO CC(C)[C@@H](CO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000394058390 343681937 /nfs/dbraw/zinc/68/19/37/343681937.db2.gz DLBYPTSSISFULS-CHWSQXEVSA-N 1 3 244.379 0.297 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CNC2CC2)C1 ZINC000154664438 343743935 /nfs/dbraw/zinc/74/39/35/343743935.db2.gz IGFIVHYUHJRTMK-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000154273921 343713074 /nfs/dbraw/zinc/71/30/74/343713074.db2.gz UXBQTHSSADPGIZ-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000418733002 192065004 /nfs/dbraw/zinc/06/50/04/192065004.db2.gz UZHFOIAZHWQZDB-ZJUUUORDSA-N 1 3 242.367 0.458 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC1CC[NH2+]CC1 ZINC000570395874 323058384 /nfs/dbraw/zinc/05/83/84/323058384.db2.gz ACNAKHVQCVPXPM-LBPRGKRZSA-N 1 3 227.352 0.620 20 0 BCADHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418379491 529908185 /nfs/dbraw/zinc/90/81/85/529908185.db2.gz KQDUPUBYOPIKDJ-LLVKDONJSA-N 1 3 240.351 0.086 20 0 BCADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000570568759 323063480 /nfs/dbraw/zinc/06/34/80/323063480.db2.gz ILHAJMJLZRFUDA-VQVTYTSYSA-N 1 3 239.241 0.072 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCC2)CC[NH2+]1 ZINC000564450585 343938725 /nfs/dbraw/zinc/93/87/25/343938725.db2.gz WDLMBCSYKVVVPE-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000037611998 488247713 /nfs/dbraw/zinc/24/77/13/488247713.db2.gz IWIZNMQYVKAHBV-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[C@H](CCO)NC[C@H](O)C[NH+]1CCCC1 ZINC000634724047 343920618 /nfs/dbraw/zinc/92/06/18/343920618.db2.gz ITWNWEHSDIKFLJ-OLZOCXBDSA-N 1 3 244.379 0.584 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCCC2)CC[C@@H]1[NH3+] ZINC000335892309 344044790 /nfs/dbraw/zinc/04/47/90/344044790.db2.gz CLYKYTMNVYXLMZ-ZJUUUORDSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000335895062 344045271 /nfs/dbraw/zinc/04/52/71/344045271.db2.gz CQKMHIDJVPBJIH-GHMZBOCLSA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)NCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634742002 344163263 /nfs/dbraw/zinc/16/32/63/344163263.db2.gz WKJUBWPPRCBLNG-BETUJISGSA-N 1 3 239.363 0.442 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000130409938 344137016 /nfs/dbraw/zinc/13/70/16/344137016.db2.gz RUWMINDQTYSSCP-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000130409938 344137018 /nfs/dbraw/zinc/13/70/18/344137018.db2.gz RUWMINDQTYSSCP-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](N)CC ZINC000130453933 344140001 /nfs/dbraw/zinc/14/00/01/344140001.db2.gz OASMTCGHOTUGGY-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](N)CC ZINC000130453933 344140004 /nfs/dbraw/zinc/14/00/04/344140004.db2.gz OASMTCGHOTUGGY-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000518359291 344210422 /nfs/dbraw/zinc/21/04/22/344210422.db2.gz WYSUMEYSBUKLDC-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000518359291 344210424 /nfs/dbraw/zinc/21/04/24/344210424.db2.gz WYSUMEYSBUKLDC-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO NC1(C(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000131675860 344234666 /nfs/dbraw/zinc/23/46/66/344234666.db2.gz BTDWZRIQZOIWCJ-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000634762340 344255582 /nfs/dbraw/zinc/25/55/82/344255582.db2.gz UWMYHCIHBOMCCL-LLVKDONJSA-N 1 3 239.363 0.633 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768776 344280722 /nfs/dbraw/zinc/28/07/22/344280722.db2.gz YHLUREQDQUUDFY-BREBYQMCSA-N 1 3 237.347 0.243 20 0 BCADHO CCN(CC)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768456 344280730 /nfs/dbraw/zinc/28/07/30/344280730.db2.gz LCXSXTFWARPMQY-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092004540 344287816 /nfs/dbraw/zinc/28/78/16/344287816.db2.gz HYMXTFTXABFPKX-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N(C)CC1CCN(C)CC1 ZINC000092137009 344289018 /nfs/dbraw/zinc/28/90/18/344289018.db2.gz NDASCVDSVONLHM-LLVKDONJSA-N 1 3 241.379 0.642 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573605420 344326481 /nfs/dbraw/zinc/32/64/81/344326481.db2.gz QNBQAFMDGFZTTL-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131850946 344353086 /nfs/dbraw/zinc/35/30/86/344353086.db2.gz CVMQUVZGLISJAB-AEJSXWLSSA-N 1 3 245.392 0.276 20 0 BCADHO CC(C)OC(=O)CCN(C)CCOCC[NH3+] ZINC000600743092 344367306 /nfs/dbraw/zinc/36/73/06/344367306.db2.gz ZIQMLZADZPUCSN-UHFFFAOYSA-N 1 3 232.324 0.235 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)CCSC ZINC000131873791 344356466 /nfs/dbraw/zinc/35/64/66/344356466.db2.gz NCXSMIAZDKMVBR-DTWKUNHWSA-N 1 3 233.381 0.039 20 0 BCADHO C[NH2+]CCCN(C)CCCCC(=O)OC ZINC000600708162 344360637 /nfs/dbraw/zinc/36/06/37/344360637.db2.gz CXBASYJTWRSWIU-UHFFFAOYSA-N 1 3 216.325 0.871 20 0 BCADHO CNCCC[N@H+](C)CCCCC(=O)OC ZINC000600708162 344360638 /nfs/dbraw/zinc/36/06/38/344360638.db2.gz CXBASYJTWRSWIU-UHFFFAOYSA-N 1 3 216.325 0.871 20 0 BCADHO CNCCC[N@@H+](C)CCCCC(=O)OC ZINC000600708162 344360639 /nfs/dbraw/zinc/36/06/39/344360639.db2.gz CXBASYJTWRSWIU-UHFFFAOYSA-N 1 3 216.325 0.871 20 0 BCADHO COC(=O)CCCC[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000600710275 344360896 /nfs/dbraw/zinc/36/08/96/344360896.db2.gz MZXVXJLUHIAZHD-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO COC(=O)CCCC[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000600710275 344360898 /nfs/dbraw/zinc/36/08/98/344360898.db2.gz MZXVXJLUHIAZHD-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO COC(=O)CCCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000600712353 344361562 /nfs/dbraw/zinc/36/15/62/344361562.db2.gz XFQAKVJPZHCPOU-MNOVXSKESA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@@H+]1CCCO[C@@H](CN)C1 ZINC000600712183 344361746 /nfs/dbraw/zinc/36/17/46/344361746.db2.gz XKRJXUNSQJLJPX-NSHDSACASA-N 1 3 244.335 0.379 20 0 BCADHO COC(=O)CCCC[N@H+]1CCCO[C@@H](CN)C1 ZINC000600712183 344361747 /nfs/dbraw/zinc/36/17/47/344361747.db2.gz XKRJXUNSQJLJPX-NSHDSACASA-N 1 3 244.335 0.379 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000236786110 344403025 /nfs/dbraw/zinc/40/30/25/344403025.db2.gz CUHPAMXAUSNYCF-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000236786110 344403026 /nfs/dbraw/zinc/40/30/26/344403026.db2.gz CUHPAMXAUSNYCF-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000382950361 344471246 /nfs/dbraw/zinc/47/12/46/344471246.db2.gz LMHRIEBOGOWFKQ-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000382950361 344471250 /nfs/dbraw/zinc/47/12/50/344471250.db2.gz LMHRIEBOGOWFKQ-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036999031 344485241 /nfs/dbraw/zinc/48/52/41/344485241.db2.gz QQWSFKHPAOXHMA-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CSCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000085282230 344517584 /nfs/dbraw/zinc/51/75/84/344517584.db2.gz LDCKZDHVCCAMBL-NXEZZACHSA-N 1 3 200.351 0.891 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309412113 347056142 /nfs/dbraw/zinc/05/61/42/347056142.db2.gz IRCVHHXVKUNPPO-ZJUUUORDSA-N 1 3 213.325 0.311 20 0 BCADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641423671 362407771 /nfs/dbraw/zinc/40/77/71/362407771.db2.gz DNRIWVRFLPEXGX-MNOVXSKESA-N 1 3 242.367 0.458 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641494232 362460723 /nfs/dbraw/zinc/46/07/23/362460723.db2.gz UGCDLVFWPRHFLA-SNVBAGLBSA-N 1 3 230.356 0.315 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CCN1C ZINC000577867799 344639376 /nfs/dbraw/zinc/63/93/76/344639376.db2.gz ADMLFSCBNCVFTH-MXWKQRLJSA-N 1 3 240.351 0.130 20 0 BCADHO CN1CCC(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000082241517 344706338 /nfs/dbraw/zinc/70/63/38/344706338.db2.gz FNVTUTXOABRTID-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000390112496 259380529 /nfs/dbraw/zinc/38/05/29/259380529.db2.gz AZHIKPFXUUZFQL-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)C1CCN(C)CC1 ZINC000429351834 192080989 /nfs/dbraw/zinc/08/09/89/192080989.db2.gz GMNWEQDHUJWSIW-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H](C)N1 ZINC000154199196 345017855 /nfs/dbraw/zinc/01/78/55/345017855.db2.gz UUGBWNAYHVFEEH-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](C(=O)N1CCN2CCC1CC2)C1C[NH2+]C1 ZINC000574809701 345025027 /nfs/dbraw/zinc/02/50/27/345025027.db2.gz XNZUGBKMWGXLCC-JTQLQIEISA-N 1 3 237.347 0.149 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)CN(C)C ZINC000154302840 345026164 /nfs/dbraw/zinc/02/61/64/345026164.db2.gz XXNMEYNELWPRSA-NDBYEHHHSA-N 1 3 243.395 0.227 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000155244148 345074903 /nfs/dbraw/zinc/07/49/03/345074903.db2.gz WRPIPQOIKSHWJE-USZNOCQGSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000155657198 345095375 /nfs/dbraw/zinc/09/53/75/345095375.db2.gz OQQQKSNVYKXHSN-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](COC)C1 ZINC000310450666 259382568 /nfs/dbraw/zinc/38/25/68/259382568.db2.gz XZFLKYSYKCIEOX-CHWSQXEVSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](COC)C1 ZINC000310450666 259382569 /nfs/dbraw/zinc/38/25/69/259382569.db2.gz XZFLKYSYKCIEOX-CHWSQXEVSA-N 1 3 244.379 0.657 20 0 BCADHO CN1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635078139 345242216 /nfs/dbraw/zinc/24/22/16/345242216.db2.gz OSEMRIHUIZXMHX-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO CN1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635078139 345242218 /nfs/dbraw/zinc/24/22/18/345242218.db2.gz OSEMRIHUIZXMHX-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000634998788 345199584 /nfs/dbraw/zinc/19/95/84/345199584.db2.gz LCBVMCIILISRRL-IJLUTSLNSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@H]1CN ZINC000634998788 345199587 /nfs/dbraw/zinc/19/95/87/345199587.db2.gz LCBVMCIILISRRL-IJLUTSLNSA-N 1 3 212.337 0.940 20 0 BCADHO CCC[C@@H](CCO)[NH2+]C1CCNCC1 ZINC000635003471 345206326 /nfs/dbraw/zinc/20/63/26/345206326.db2.gz JWSOTRPNAUWOBK-JTQLQIEISA-N 1 3 200.326 0.879 20 0 BCADHO CCC[C@@H](CCO)NC1CC[NH2+]CC1 ZINC000635003471 345206328 /nfs/dbraw/zinc/20/63/28/345206328.db2.gz JWSOTRPNAUWOBK-JTQLQIEISA-N 1 3 200.326 0.879 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC1CCN(CC)CC1 ZINC000449075074 201804598 /nfs/dbraw/zinc/80/45/98/201804598.db2.gz MGKKEWVEPLQHOO-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH+](C)CC1(C(=O)NCCN2CCCC2)CC1 ZINC000635134439 345255446 /nfs/dbraw/zinc/25/54/46/345255446.db2.gz CTHPKTGIRVGBML-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000635420754 345360698 /nfs/dbraw/zinc/36/06/98/345360698.db2.gz HUSJSVJLVZPVPH-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000635420754 345360704 /nfs/dbraw/zinc/36/07/04/345360704.db2.gz HUSJSVJLVZPVPH-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248447981 345389617 /nfs/dbraw/zinc/38/96/17/345389617.db2.gz DLJZROFGXAQEDX-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000159107228 345409939 /nfs/dbraw/zinc/40/99/39/345409939.db2.gz QUNPQWYMFJZIOM-ZYHUDNBSSA-N 1 3 243.326 0.146 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CCN(C)CC1 ZINC000635526521 345422091 /nfs/dbraw/zinc/42/20/91/345422091.db2.gz ASDWXZUNASPLRY-NXEZZACHSA-N 1 3 240.351 0.212 20 0 BCADHO CN1CCC(O)(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000086254887 345536767 /nfs/dbraw/zinc/53/67/67/345536767.db2.gz CHCGRMAXPPECSW-UHFFFAOYSA-N 1 3 223.320 0.561 20 0 BCADHO C[C@@H](C(=O)N1C[C@@H](C)NC[C@H]1C)C1C[NH2+]C1 ZINC000563087792 323091227 /nfs/dbraw/zinc/09/12/27/323091227.db2.gz PYNYCWOWVCEQEE-OPRDCNLKSA-N 1 3 225.336 0.051 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000563114819 323093325 /nfs/dbraw/zinc/09/33/25/323093325.db2.gz DMAQLVMMTPLMSS-PWSUYJOCSA-N 1 3 235.331 0.930 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635557993 345717139 /nfs/dbraw/zinc/71/71/39/345717139.db2.gz GJNGCNUQELVCRX-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[S@@](=O)CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982392 345766787 /nfs/dbraw/zinc/76/67/87/345766787.db2.gz WQBGQSDNBSSOLL-OZVIIMIRSA-N 1 3 244.404 0.971 20 0 BCADHO C[S@@](=O)CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982392 345766791 /nfs/dbraw/zinc/76/67/91/345766791.db2.gz WQBGQSDNBSSOLL-OZVIIMIRSA-N 1 3 244.404 0.971 20 0 BCADHO C[S@@](=O)CCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000159982392 345766792 /nfs/dbraw/zinc/76/67/92/345766792.db2.gz WQBGQSDNBSSOLL-OZVIIMIRSA-N 1 3 244.404 0.971 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2(N)CC2)CC1 ZINC000563160042 323097418 /nfs/dbraw/zinc/09/74/18/323097418.db2.gz MAMRKDUCMAPSLL-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178869277 345918316 /nfs/dbraw/zinc/91/83/16/345918316.db2.gz MJRXFNRHXRKATE-JQWIXIFHSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000563168842 323099741 /nfs/dbraw/zinc/09/97/41/323099741.db2.gz AVSPMTPYBNNKHW-VPOLOUISSA-N 1 3 227.352 0.617 20 0 BCADHO CC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000147132437 346002458 /nfs/dbraw/zinc/00/24/58/346002458.db2.gz MKTONDPTLOWRPS-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000375426971 537936833 /nfs/dbraw/zinc/93/68/33/537936833.db2.gz JTSUUIRGGNFMHE-NXEZZACHSA-N 1 3 247.342 0.889 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000429410435 192098090 /nfs/dbraw/zinc/09/80/90/192098090.db2.gz QTSGBTRSFPMBDD-PHIMTYICSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000429410435 192098091 /nfs/dbraw/zinc/09/80/91/192098091.db2.gz QTSGBTRSFPMBDD-PHIMTYICSA-N 1 3 227.352 0.537 20 0 BCADHO C[N@H+](CCCNC(=O)CN)C1CCCCC1 ZINC000037901327 346254835 /nfs/dbraw/zinc/25/48/35/346254835.db2.gz UICKROGWABMNRO-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[N@@H+](CCCNC(=O)CN)C1CCCCC1 ZINC000037901327 346254837 /nfs/dbraw/zinc/25/48/37/346254837.db2.gz UICKROGWABMNRO-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCc1cn[nH]c1 ZINC000641799712 362749166 /nfs/dbraw/zinc/74/91/66/362749166.db2.gz PRDJFXIFXOSYBS-JTQLQIEISA-N 1 3 210.325 0.915 20 0 BCADHO CC(C)[C@H](N)C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000335567085 535049302 /nfs/dbraw/zinc/04/93/02/535049302.db2.gz KLEUHMKKAMBUAJ-YPMHNXCESA-N 1 3 247.342 0.886 20 0 BCADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2)C1 ZINC000580076171 346513483 /nfs/dbraw/zinc/51/34/83/346513483.db2.gz VMIQDQLNCBEUDH-HBNTYKKESA-N 1 3 225.336 0.372 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000641801497 362755322 /nfs/dbraw/zinc/75/53/22/362755322.db2.gz RFNQMBRXROUQCU-BBBLOLIVSA-N 1 3 235.335 0.481 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCc2ncnn21 ZINC000641801497 362755326 /nfs/dbraw/zinc/75/53/26/362755326.db2.gz RFNQMBRXROUQCU-BBBLOLIVSA-N 1 3 235.335 0.481 20 0 BCADHO COC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)OC ZINC000300380118 346574621 /nfs/dbraw/zinc/57/46/21/346574621.db2.gz SZZBYTAVFYFIIW-DCAQKATOSA-N 1 3 216.325 0.507 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000300396191 346613501 /nfs/dbraw/zinc/61/35/01/346613501.db2.gz BANGPYYPQDYHQL-XWLWVQCSSA-N 1 3 232.393 0.958 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CSCCN1 ZINC000563617203 323131682 /nfs/dbraw/zinc/13/16/82/323131682.db2.gz DQTONIZYRCUWTG-AEJSXWLSSA-N 1 3 243.376 0.030 20 0 BCADHO [NH3+]CCCN1CCNC[C@@H]1c1ccccc1 ZINC000165684355 346656478 /nfs/dbraw/zinc/65/64/78/346656478.db2.gz XDCAMHRLQYZENI-CYBMUJFWSA-N 1 3 219.332 0.982 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000580646880 365841709 /nfs/dbraw/zinc/84/17/09/365841709.db2.gz QMKMKTDLNGNBKF-MWLCHTKSSA-N 1 3 227.352 0.748 20 0 BCADHO O=C(N[C@@H]1CNCCC1(F)F)C1CC[NH2+]CC1 ZINC000580190775 346642391 /nfs/dbraw/zinc/64/23/91/346642391.db2.gz OJMYVDAWHMKZGK-SECBINFHSA-N 1 3 247.289 0.099 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@@H](C)[NH2+]C ZINC000580215754 346699345 /nfs/dbraw/zinc/69/93/45/346699345.db2.gz CFTNULTVXQAJBR-ZWNOBZJWSA-N 1 3 249.358 0.973 20 0 BCADHO NC(C(=O)NCC[C@@H]1CCC[NH2+]1)C(F)(F)F ZINC000353426889 187372801 /nfs/dbraw/zinc/37/28/01/187372801.db2.gz NLOAGVGMUNKCDF-BQBZGAKWSA-N 1 3 239.241 0.134 20 0 BCADHO CC1(C)CN(C(=O)C2CC[NH2+]CC2)CCN1 ZINC000335599920 347259141 /nfs/dbraw/zinc/25/91/41/347259141.db2.gz XRBAUZUOXFXHEV-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280817 347328085 /nfs/dbraw/zinc/32/80/85/347328085.db2.gz DCNSTDOTIQHMRO-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CCC[NH3+] ZINC000019483200 347329798 /nfs/dbraw/zinc/32/97/98/347329798.db2.gz FKVGMHMWZNLATK-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](N)CC(F)F ZINC000571439261 323144879 /nfs/dbraw/zinc/14/48/79/323144879.db2.gz MQZVGGDCZPKCHY-VIFPVBQESA-N 1 3 249.305 0.522 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](N)CC(F)F ZINC000571439261 323144880 /nfs/dbraw/zinc/14/48/80/323144880.db2.gz MQZVGGDCZPKCHY-VIFPVBQESA-N 1 3 249.305 0.522 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000382950360 347506959 /nfs/dbraw/zinc/50/69/59/347506959.db2.gz LMHRIEBOGOWFKQ-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000382950360 347506961 /nfs/dbraw/zinc/50/69/61/347506961.db2.gz LMHRIEBOGOWFKQ-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000382986595 347522556 /nfs/dbraw/zinc/52/25/56/347522556.db2.gz WFLYNCHHMOVFBY-PWSUYJOCSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000390638393 259396187 /nfs/dbraw/zinc/39/61/87/259396187.db2.gz MHNNQBSOKFTUEP-JEZHCXPESA-N 1 3 213.325 0.213 20 0 BCADHO CN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000591101271 347619693 /nfs/dbraw/zinc/61/96/93/347619693.db2.gz GONGXQIJUKIDAB-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592329321 347767939 /nfs/dbraw/zinc/76/79/39/347767939.db2.gz XEEJFTXPTAVAGV-ZJUUUORDSA-N 1 3 245.392 0.325 20 0 BCADHO Cn1cncc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000401759866 347761567 /nfs/dbraw/zinc/76/15/67/347761567.db2.gz ULEHBOVGYBHGNY-WDEREUQCSA-N 1 3 222.336 0.822 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000041680069 347799265 /nfs/dbraw/zinc/79/92/65/347799265.db2.gz PJNBBBYNBFLDHM-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO COC(=O)[C@H](C)CN(C)C[C@@H]1CC[NH2+]C1 ZINC000592493350 347787382 /nfs/dbraw/zinc/78/73/82/347787382.db2.gz OZUBRMZEAPTCOX-NXEZZACHSA-N 1 3 214.309 0.337 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000449539130 201958701 /nfs/dbraw/zinc/95/87/01/201958701.db2.gz VIANVBVPEFUJMG-ZYHUDNBSSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCN1C ZINC000228509146 349977922 /nfs/dbraw/zinc/97/79/22/349977922.db2.gz OQQQKSNVYKXHSN-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368385324 187384464 /nfs/dbraw/zinc/38/44/64/187384464.db2.gz NLFQMQIEQXJAKH-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368687388 187383992 /nfs/dbraw/zinc/38/39/92/187383992.db2.gz KLTBYFYAYIRFAK-HBNTYKKESA-N 1 3 239.363 0.428 20 0 BCADHO C[NH+](C)CCOCCNCC1(F)CC1 ZINC000308502918 323175103 /nfs/dbraw/zinc/17/51/03/323175103.db2.gz HLMXWUXYJVAHBN-UHFFFAOYSA-N 1 3 204.289 0.656 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563716584 323175316 /nfs/dbraw/zinc/17/53/16/323175316.db2.gz YHALTMQKZZGODP-IUCAKERBSA-N 1 3 249.305 0.617 20 0 BCADHO CCN1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000038098243 348052791 /nfs/dbraw/zinc/05/27/91/348052791.db2.gz BCPNSSILNKYHEP-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@H](N)C(C)C)CC1 ZINC000038098262 348053253 /nfs/dbraw/zinc/05/32/53/348053253.db2.gz DVZBVUPMNYXCKM-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO CSCC[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595934549 348394033 /nfs/dbraw/zinc/39/40/33/348394033.db2.gz OHNYDKPMKHAULV-MRVPVSSYSA-N 1 3 233.381 0.263 20 0 BCADHO COC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595907714 348397638 /nfs/dbraw/zinc/39/76/38/348397638.db2.gz DXHFMODBNYNTIC-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950317 348403626 /nfs/dbraw/zinc/40/36/26/348403626.db2.gz KQGFXGXKQQSIEI-NXEZZACHSA-N 1 3 247.408 0.556 20 0 BCADHO CN(C[C@H]1CCCC[C@@H]1O)C1CC([NH3+])C1 ZINC000384812265 490191042 /nfs/dbraw/zinc/19/10/42/490191042.db2.gz CNLNLCKPYDOTJH-YYJSSNLHSA-N 1 3 212.337 0.959 20 0 BCADHO CC(C)(N)C[NH+]1CCC(CCO)CC1 ZINC000308822484 348760434 /nfs/dbraw/zinc/76/04/34/348760434.db2.gz GWZYOYQIEMSIPQ-UHFFFAOYSA-N 1 3 200.326 0.818 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133675 349082934 /nfs/dbraw/zinc/08/29/34/349082934.db2.gz JFKRGQUKNXQGEN-NSHDSACASA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133675 349082936 /nfs/dbraw/zinc/08/29/36/349082936.db2.gz JFKRGQUKNXQGEN-NSHDSACASA-N 1 3 229.368 0.960 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000248483949 349133327 /nfs/dbraw/zinc/13/33/27/349133327.db2.gz JUDJUOCBIVYZMH-GARJFASQSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252205351 349198802 /nfs/dbraw/zinc/19/88/02/349198802.db2.gz XBRAAYKMEQSXBP-JHJVBQTASA-N 1 3 244.379 0.845 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252205351 349198804 /nfs/dbraw/zinc/19/88/04/349198804.db2.gz XBRAAYKMEQSXBP-JHJVBQTASA-N 1 3 244.379 0.845 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C)N(CC)CC ZINC000662965693 490244317 /nfs/dbraw/zinc/24/43/17/490244317.db2.gz LSKLDLRORUXBFA-WDEREUQCSA-N 1 3 229.368 0.831 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)C1CCC1 ZINC000422534763 192424988 /nfs/dbraw/zinc/42/49/88/192424988.db2.gz BKSMRBJJTXDKKM-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO CN(C)CCNC(=O)c1ccccc1CC[NH3+] ZINC000070541438 350018666 /nfs/dbraw/zinc/01/86/66/350018666.db2.gz HFUZNPVKSMDNIS-UHFFFAOYSA-N 1 3 235.331 0.479 20 0 BCADHO C[N@H+](CCNC(=O)CNC1CC1)C1CCCC1 ZINC000071378767 350103743 /nfs/dbraw/zinc/10/37/43/350103743.db2.gz CLENXFVDURQFAR-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO C[N@@H+](CCNC(=O)CNC1CC1)C1CCCC1 ZINC000071378767 350103745 /nfs/dbraw/zinc/10/37/45/350103745.db2.gz CLENXFVDURQFAR-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309151720 350107615 /nfs/dbraw/zinc/10/76/15/350107615.db2.gz WMDQATMUDUNCJI-WCBMZHEXSA-N 1 3 201.314 0.215 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000133789705 191043157 /nfs/dbraw/zinc/04/31/57/191043157.db2.gz BHGXIKBYMBENEH-RYUDHWBXSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000133789705 191043160 /nfs/dbraw/zinc/04/31/60/191043160.db2.gz BHGXIKBYMBENEH-RYUDHWBXSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)N(C)C1CC1 ZINC000219942063 350151164 /nfs/dbraw/zinc/15/11/64/350151164.db2.gz IZCNMSMMYWSSIX-ZJUUUORDSA-N 1 3 239.363 0.441 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@@H](O)C[N@H+](C)CC ZINC000309225861 350212604 /nfs/dbraw/zinc/21/26/04/350212604.db2.gz HOFVIKXAKWQEIK-NEPJUHHUSA-N 1 3 232.368 0.392 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@@H](O)C[N@@H+](C)CC ZINC000309225861 350212605 /nfs/dbraw/zinc/21/26/05/350212605.db2.gz HOFVIKXAKWQEIK-NEPJUHHUSA-N 1 3 232.368 0.392 20 0 BCADHO CC1(C)CN(C(=O)N[C@H](C[NH3+])C2CC2)CCN1 ZINC000334927435 350214417 /nfs/dbraw/zinc/21/44/17/350214417.db2.gz CESXMBKPUVUJKZ-SNVBAGLBSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000653232638 490393842 /nfs/dbraw/zinc/39/38/42/490393842.db2.gz GLRSQOVRLCPKJW-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)[C@@H](C(=O)NCC1=CC[NH2+]CC1)N(C)C ZINC000427586827 191082346 /nfs/dbraw/zinc/08/23/46/191082346.db2.gz GBXUIMOPDHBLJA-LBPRGKRZSA-N 1 3 239.363 0.609 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000427614383 191084951 /nfs/dbraw/zinc/08/49/51/191084951.db2.gz WPUSACYJBKDKKA-SCVCMEIPSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000309392270 350366899 /nfs/dbraw/zinc/36/68/99/350366899.db2.gz GBFRWWVPSGYLKZ-MWLCHTKSSA-N 1 3 213.325 0.230 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000309301874 323341320 /nfs/dbraw/zinc/34/13/20/323341320.db2.gz UGACKZJWHLSCOT-BBBLOLIVSA-N 1 3 213.325 0.165 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541416 362959854 /nfs/dbraw/zinc/95/98/54/362959854.db2.gz IJUSQXZVEDSRSO-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541416 362959862 /nfs/dbraw/zinc/95/98/62/362959862.db2.gz IJUSQXZVEDSRSO-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000163595344 350530923 /nfs/dbraw/zinc/53/09/23/350530923.db2.gz RTFREHCGZIXSED-DTWKUNHWSA-N 1 3 233.381 0.133 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384834844 350592375 /nfs/dbraw/zinc/59/23/75/350592375.db2.gz NQIQABDQNKWFCT-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000577602722 366013422 /nfs/dbraw/zinc/01/34/22/366013422.db2.gz KUWZTGROCPFXFF-JTQLQIEISA-N 1 3 212.337 0.974 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000250149280 350877032 /nfs/dbraw/zinc/87/70/32/350877032.db2.gz VSGTXUYRTWDVAS-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C(C)(C)O ZINC000382817952 351052888 /nfs/dbraw/zinc/05/28/88/351052888.db2.gz VJEFTHFKPKNGFD-QWRGUYRKSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C(C)(C)O ZINC000382817952 351052890 /nfs/dbraw/zinc/05/28/90/351052890.db2.gz VJEFTHFKPKNGFD-QWRGUYRKSA-N 1 3 232.368 0.390 20 0 BCADHO COC[C@H](NCC1([NH3+])CCOCC1)C1CC1 ZINC000398147509 363019276 /nfs/dbraw/zinc/01/92/76/363019276.db2.gz YAXZIXKSSMCTER-NSHDSACASA-N 1 3 228.336 0.509 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000637802735 351635549 /nfs/dbraw/zinc/63/55/49/351635549.db2.gz UBCPXUBNRWEICV-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C(=O)N1CCNC[C@@H]1C)[NH+](C)C ZINC000637817747 351662268 /nfs/dbraw/zinc/66/22/68/351662268.db2.gz BSCWUPONFQOUHX-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])N(C)C ZINC000637816457 351655984 /nfs/dbraw/zinc/65/59/84/351655984.db2.gz LYEHVAPPSHOAEJ-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000637797172 351622237 /nfs/dbraw/zinc/62/22/37/351622237.db2.gz MAKNGEGARGINBT-NSHDSACASA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCCC[NH3+] ZINC000637801323 351631976 /nfs/dbraw/zinc/63/19/76/351631976.db2.gz NRPGNXUGAFLVNN-VIFPVBQESA-N 1 3 201.314 0.215 20 0 BCADHO N[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637834422 351688700 /nfs/dbraw/zinc/68/87/00/351688700.db2.gz ZAQDMUQMICNMDY-CHWSQXEVSA-N 1 3 245.326 0.850 20 0 BCADHO CCN[C@H](C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834597 351688951 /nfs/dbraw/zinc/68/89/51/351688951.db2.gz YICNFYWZAJZFGV-NXEZZACHSA-N 1 3 213.325 0.100 20 0 BCADHO CN(CC(=O)N(C)[C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000637837671 351692223 /nfs/dbraw/zinc/69/22/23/351692223.db2.gz KOGISZQQLDCYDP-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637843848 351703364 /nfs/dbraw/zinc/70/33/64/351703364.db2.gz ZKJLHPNAKAFGJQ-YPMHNXCESA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])N(C)C ZINC000637847190 351705436 /nfs/dbraw/zinc/70/54/36/351705436.db2.gz LWEPKVFGZXPKRG-TUAOUCFPSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000637823360 351668184 /nfs/dbraw/zinc/66/81/84/351668184.db2.gz FUPDTGUJPWJLMI-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO CN(CC(=O)N1CC[C@H]([NH3+])C1)CC(C)(C)C ZINC000637823308 351668305 /nfs/dbraw/zinc/66/83/05/351668305.db2.gz QXIRWBUCWUOMAO-JTQLQIEISA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000637823359 351668386 /nfs/dbraw/zinc/66/83/86/351668386.db2.gz FUPDTGUJPWJLMI-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO CN(CC(=O)NCC[NH2+]C1CC1)CC(C)(C)C ZINC000637828029 351670611 /nfs/dbraw/zinc/67/06/11/351670611.db2.gz OELVSEAYPSXRIR-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000637828099 351671468 /nfs/dbraw/zinc/67/14/68/351671468.db2.gz BHPRINSUTPDDIN-SECBINFHSA-N 1 3 215.341 0.603 20 0 BCADHO [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000577731831 366046678 /nfs/dbraw/zinc/04/66/78/366046678.db2.gz VMIQDQLNCBEUDH-AXFHLTTASA-N 1 3 225.336 0.372 20 0 BCADHO CN(CC(=O)N[C@H](C[NH3+])C1CC1)CC(C)(C)C ZINC000637854735 351713811 /nfs/dbraw/zinc/71/38/11/351713811.db2.gz FGKHLUFVAGPXRQ-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637859215 351715859 /nfs/dbraw/zinc/71/58/59/351715859.db2.gz ILBOYIPZCFPFIS-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471062 133878617 /nfs/dbraw/zinc/87/86/17/133878617.db2.gz BNEHBUZQAHTYEZ-ZYHUDNBSSA-N 1 3 237.347 0.410 20 0 BCADHO O=C(CCC1C[NH2+]C1)NCCN1CCCCC1 ZINC000638056902 351932724 /nfs/dbraw/zinc/93/27/24/351932724.db2.gz MKVLEOSWQZGYCJ-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)C1CCN(CC)CC1 ZINC000638060859 351934426 /nfs/dbraw/zinc/93/44/26/351934426.db2.gz SSTNSSTYUQBDFK-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO COC[C@@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000574983805 351888171 /nfs/dbraw/zinc/88/81/71/351888171.db2.gz BYTOSVVRCDJHKF-STQMWFEESA-N 1 3 244.379 0.848 20 0 BCADHO CN1CCC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638079310 351954140 /nfs/dbraw/zinc/95/41/40/351954140.db2.gz RWHOCNPNNKGSJW-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)[NH+]1CCC(NC(=O)C2(N)CC2)CC1 ZINC000083834645 351955093 /nfs/dbraw/zinc/95/50/93/351955093.db2.gz PWMADYRAODBPDF-UHFFFAOYSA-N 1 3 225.336 0.467 20 0 BCADHO CN1CCC[C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638085536 351962190 /nfs/dbraw/zinc/96/21/90/351962190.db2.gz MGZDSVHGXYTPPQ-ZYHUDNBSSA-N 1 3 237.347 0.492 20 0 BCADHO CCC[NH2+]CCNC(=O)Cc1nc[nH]c1C ZINC000638146838 352011425 /nfs/dbraw/zinc/01/14/25/352011425.db2.gz IWOJYNSSRJCNOY-UHFFFAOYSA-N 1 3 224.308 0.376 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CCC2C[NH2+]C2)C1 ZINC000638095636 351975571 /nfs/dbraw/zinc/97/55/71/351975571.db2.gz AENKMULSFQOGDL-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000638098315 351977996 /nfs/dbraw/zinc/97/79/96/351977996.db2.gz BLWDHLXHMICNKB-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000638102218 351983438 /nfs/dbraw/zinc/98/34/38/351983438.db2.gz UCQOPOZCGBAZCS-WCQYABFASA-N 1 3 249.358 0.729 20 0 BCADHO CO[C@](C)(CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000638186362 352052625 /nfs/dbraw/zinc/05/26/25/352052625.db2.gz ROHWYWVASVZSBL-GMXVVIOVSA-N 1 3 224.348 0.953 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638199095 352062873 /nfs/dbraw/zinc/06/28/73/352062873.db2.gz HCNOWGWUWFHSOV-NXEZZACHSA-N 1 3 236.319 0.647 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000638199569 352063443 /nfs/dbraw/zinc/06/34/43/352063443.db2.gz DDBZLTZIFNJQAQ-SDDRHHMPSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000638209772 352072460 /nfs/dbraw/zinc/07/24/60/352072460.db2.gz CCPKLASABXBHOG-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H]([NH3+])CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000638153154 352017447 /nfs/dbraw/zinc/01/74/47/352017447.db2.gz HRFMNGMWOJBGBG-QMMMGPOBSA-N 1 3 234.303 0.403 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC1([NH3+])CCC1 ZINC000638160340 352025026 /nfs/dbraw/zinc/02/50/26/352025026.db2.gz FNKOHAPMVPXXPQ-UHFFFAOYSA-N 1 3 222.292 0.258 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](C)CN1 ZINC000638160881 352028002 /nfs/dbraw/zinc/02/80/02/352028002.db2.gz ZVEHCJJRTQOPDS-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](C)CN1 ZINC000638160881 352028004 /nfs/dbraw/zinc/02/80/04/352028004.db2.gz ZVEHCJJRTQOPDS-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000638169812 352033837 /nfs/dbraw/zinc/03/38/37/352033837.db2.gz MGCYTACSVYOLOT-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H](C)[NH3+] ZINC000638211307 352076876 /nfs/dbraw/zinc/07/68/76/352076876.db2.gz PRSXNGKMNKLIBK-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000638218970 352078727 /nfs/dbraw/zinc/07/87/27/352078727.db2.gz FIOAVSNXNWOURI-DGCLKSJQSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638246988 352093401 /nfs/dbraw/zinc/09/34/01/352093401.db2.gz VOTHPOGDIFMBRG-ZRUFSTJUSA-N 1 3 225.336 0.084 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247898 352093618 /nfs/dbraw/zinc/09/36/18/352093618.db2.gz PVVSZETTYIBQCW-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC(C)(C)CCC[NH3+] ZINC000638247792 352093710 /nfs/dbraw/zinc/09/37/10/352093710.db2.gz STCNJSBTUGISMT-UHFFFAOYSA-N 1 3 238.335 0.894 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000638304507 352135565 /nfs/dbraw/zinc/13/55/65/352135565.db2.gz QNAKJSGSCCVJMO-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[NH2+]C1(C)C)N(C)C ZINC000638268279 352107902 /nfs/dbraw/zinc/10/79/02/352107902.db2.gz XRHPVUHNPZKFGN-UWVGGRQHSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)N(C)C ZINC000638331402 352153004 /nfs/dbraw/zinc/15/30/04/352153004.db2.gz HQTLMDYJWWTEKK-GHMZBOCLSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N(C)C ZINC000638331405 352153087 /nfs/dbraw/zinc/15/30/87/352153087.db2.gz HQTLMDYJWWTEKK-QWRGUYRKSA-N 1 3 227.352 0.522 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638368972 352181521 /nfs/dbraw/zinc/18/15/21/352181521.db2.gz CPBBZMMBACLOMR-YUMQZZPRSA-N 1 3 224.308 0.503 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](C)[NH2+]CC ZINC000638375571 352185296 /nfs/dbraw/zinc/18/52/96/352185296.db2.gz CELGQHJBRYCIOG-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CCN1CC[C@@H](C[NH2+]C[C@]2(OC)CCOC2)C1 ZINC000638381361 352193144 /nfs/dbraw/zinc/19/31/44/352193144.db2.gz KWPVDBAMIUAMSU-QWHCGFSZSA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC[C@]2(OC)CCOC2)C1 ZINC000638381361 352193147 /nfs/dbraw/zinc/19/31/47/352193147.db2.gz KWPVDBAMIUAMSU-QWHCGFSZSA-N 1 3 242.363 0.723 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC[C@]2(OC)CCOC2)C1 ZINC000638381361 352193151 /nfs/dbraw/zinc/19/31/51/352193151.db2.gz KWPVDBAMIUAMSU-QWHCGFSZSA-N 1 3 242.363 0.723 20 0 BCADHO CCCN1CC[C@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000638424328 352232076 /nfs/dbraw/zinc/23/20/76/352232076.db2.gz HRWBPTMFVWFOHA-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627035808 363140903 /nfs/dbraw/zinc/14/09/03/363140903.db2.gz LLKNDBITDJZMFF-DCAQKATOSA-N 1 3 242.367 0.376 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627035817 363141015 /nfs/dbraw/zinc/14/10/15/363141015.db2.gz LLKNDBITDJZMFF-VWYCJHECSA-N 1 3 242.367 0.376 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627035815 363141098 /nfs/dbraw/zinc/14/10/98/363141098.db2.gz LLKNDBITDJZMFF-OUAUKWLOSA-N 1 3 242.367 0.376 20 0 BCADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000638487624 352296353 /nfs/dbraw/zinc/29/63/53/352296353.db2.gz CEEJVKHXVDHLJP-BDAKNGLRSA-N 1 3 249.305 0.425 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638487892 352298335 /nfs/dbraw/zinc/29/83/35/352298335.db2.gz BUEHZFDMCMWALH-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCNC[C@@H]1C(C)C ZINC000638487892 352298337 /nfs/dbraw/zinc/29/83/37/352298337.db2.gz BUEHZFDMCMWALH-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638509088 352332018 /nfs/dbraw/zinc/33/20/18/352332018.db2.gz RABGRABIEMWJDL-JGVFFNPUSA-N 1 3 247.289 0.370 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H](N)Cc1ccccc1 ZINC000638522441 352355410 /nfs/dbraw/zinc/35/54/10/352355410.db2.gz GYFDBJULCMIGTJ-LBPRGKRZSA-N 1 3 235.331 0.364 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638511121 352335629 /nfs/dbraw/zinc/33/56/29/352335629.db2.gz ZOJDKZWMPMWJIG-ZJUUUORDSA-N 1 3 237.347 0.385 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513604 352338934 /nfs/dbraw/zinc/33/89/34/352338934.db2.gz NQVDGRNZGKZJAZ-ZJUUUORDSA-N 1 3 225.336 0.385 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000638516029 352342901 /nfs/dbraw/zinc/34/29/01/352342901.db2.gz KMAFYONUYPUITC-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(CC)CC[NH3+] ZINC000638517365 352348169 /nfs/dbraw/zinc/34/81/69/352348169.db2.gz SNCKBYIJHPSMFL-IUCAKERBSA-N 1 3 201.314 0.167 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)CC[NH3+] ZINC000638517364 352348332 /nfs/dbraw/zinc/34/83/32/352348332.db2.gz SNCKBYIJHPSMFL-BDAKNGLRSA-N 1 3 201.314 0.167 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638528750 352361574 /nfs/dbraw/zinc/36/15/74/352361574.db2.gz RBJLPBKSBUXXMJ-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CCN(C)CC1 ZINC000638572232 352400481 /nfs/dbraw/zinc/40/04/81/352400481.db2.gz ZFLCXZQJSJSUOB-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(N)C(F)(F)F ZINC000638572626 352401184 /nfs/dbraw/zinc/40/11/84/352401184.db2.gz ROBGVXCMKVSRPR-RRKCRQDMSA-N 1 3 239.241 0.133 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCOCC[NH2+]C ZINC000638586132 352416087 /nfs/dbraw/zinc/41/60/87/352416087.db2.gz IGGRNUCCOXWQEP-MNOVXSKESA-N 1 3 245.367 0.054 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)CCOCC[NH2+]C ZINC000638586301 352416558 /nfs/dbraw/zinc/41/65/58/352416558.db2.gz OVISYKQOHMFBLB-LBPRGKRZSA-N 1 3 245.367 0.198 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1CC)N(C)C ZINC000638575479 352402415 /nfs/dbraw/zinc/40/24/15/352402415.db2.gz ICKUXQQPMPJIIH-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)C1CCC1 ZINC000638574020 352403826 /nfs/dbraw/zinc/40/38/26/352403826.db2.gz MMHSYDYQDNKPLZ-HBNTYKKESA-N 1 3 225.336 0.371 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000638639839 352481790 /nfs/dbraw/zinc/48/17/90/352481790.db2.gz NTSQFXLXRLEJMS-GARJFASQSA-N 1 3 227.352 0.583 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641693 352484792 /nfs/dbraw/zinc/48/47/92/352484792.db2.gz TYSIWRQOXKVSFK-SCZZXKLOSA-N 1 3 236.319 0.517 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@H](N)CC(F)F)C[NH2+]1 ZINC000638643627 352486306 /nfs/dbraw/zinc/48/63/06/352486306.db2.gz MQDAEZCKOBFLEO-GJMOJQLCSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)C2(N)CCC2)C[NH2+]1 ZINC000638646045 352489962 /nfs/dbraw/zinc/48/99/62/352489962.db2.gz XLLXBDHLXYMZLN-BDAKNGLRSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638654522 352497448 /nfs/dbraw/zinc/49/74/48/352497448.db2.gz LSURCFHPPUJRCL-GUBZILKMSA-N 1 3 213.325 0.226 20 0 BCADHO CN(CCN1CC[NH2+]CC1)C[C@@H]1CCCCO1 ZINC000042308782 352618211 /nfs/dbraw/zinc/61/82/11/352618211.db2.gz GZQDDGKWJBXZGQ-ZDUSSCGKSA-N 1 3 241.379 0.393 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000638730347 352593160 /nfs/dbraw/zinc/59/31/60/352593160.db2.gz VOXBXTADWROICB-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C(=O)[C@@H](N)C(C)(C)C)C1CC[NH+](C)CC1 ZINC000040458338 352598054 /nfs/dbraw/zinc/59/80/54/352598054.db2.gz JSUKNQZWJWPIKN-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768184 352603571 /nfs/dbraw/zinc/60/35/71/352603571.db2.gz LPZLCYANJRIJMO-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000300360130 352560184 /nfs/dbraw/zinc/56/01/84/352560184.db2.gz UFPKXUKDCPAQTK-JQWIXIFHSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CNCCC1(F)F ZINC000638767216 352706914 /nfs/dbraw/zinc/70/69/14/352706914.db2.gz BCZUNGKXOBNXOL-DJLDLDEBSA-N 1 3 247.289 0.098 20 0 BCADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCOC2)CC1 ZINC000638773624 352713211 /nfs/dbraw/zinc/71/32/11/352713211.db2.gz NVIMLESOYOMDFZ-LBPRGKRZSA-N 1 3 242.363 0.600 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638773473 352714740 /nfs/dbraw/zinc/71/47/40/352714740.db2.gz MBHGWBBIZQWDNX-IQJOONFLSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775319 352722242 /nfs/dbraw/zinc/72/22/42/352722242.db2.gz BQZNLZWULJLILG-FIQHERPVSA-N 1 3 239.363 0.726 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638781153 352734231 /nfs/dbraw/zinc/73/42/31/352734231.db2.gz WOYALTXHBUQTKE-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO O=C(C[C@H]1NCc2ccccc21)N[C@@H]1CC[NH2+]C1 ZINC000638792178 352753814 /nfs/dbraw/zinc/75/38/14/352753814.db2.gz BDFYXSCIKLFZSM-DGCLKSJQSA-N 1 3 245.326 0.699 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCOc2ccc(CN)cc21 ZINC000638805034 352979520 /nfs/dbraw/zinc/97/95/20/352979520.db2.gz HTZUCOXCMCVJRP-VIFPVBQESA-N 1 3 249.314 0.466 20 0 BCADHO NC1(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000638841693 353018056 /nfs/dbraw/zinc/01/80/56/353018056.db2.gz XFJKTPRLGHNMMR-UHFFFAOYSA-N 1 3 245.326 0.440 20 0 BCADHO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CN2CCC1CC2 ZINC000638854514 353026458 /nfs/dbraw/zinc/02/64/58/353026458.db2.gz QCNOZPZAUZXPDE-XQHKEYJVSA-N 1 3 249.358 0.004 20 0 BCADHO CC(C)(N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638822153 353003653 /nfs/dbraw/zinc/00/36/53/353003653.db2.gz HCBROCPHQXRFHO-SECBINFHSA-N 1 3 213.325 0.454 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873807 353043794 /nfs/dbraw/zinc/04/37/94/353043794.db2.gz LSUYVDVFBDAWEQ-OLZOCXBDSA-N 1 3 249.358 0.800 20 0 BCADHO CN[C@@H](C)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638881042 353048738 /nfs/dbraw/zinc/04/87/38/353048738.db2.gz MVNHDHMHHCGFNQ-WCQYABFASA-N 1 3 249.358 0.671 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@@H]1CSCCN1 ZINC000638937291 353110274 /nfs/dbraw/zinc/11/02/74/353110274.db2.gz SUZAGSRDIHHYNL-KXUCPTDWSA-N 1 3 243.376 0.030 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C[C@H]1CSCCN1 ZINC000638937293 353110521 /nfs/dbraw/zinc/11/05/21/353110521.db2.gz SUZAGSRDIHHYNL-UTLUCORTSA-N 1 3 243.376 0.030 20 0 BCADHO O=C(c1cccc2c1CNC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638916902 353080477 /nfs/dbraw/zinc/08/04/77/353080477.db2.gz GVXMWAYQLCLCSZ-QWRGUYRKSA-N 1 3 243.310 0.476 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000261573380 535198357 /nfs/dbraw/zinc/19/83/57/535198357.db2.gz ITEQIEQPVMHNSS-VIFPVBQESA-N 1 3 213.325 0.311 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000261573380 535198362 /nfs/dbraw/zinc/19/83/62/535198362.db2.gz ITEQIEQPVMHNSS-VIFPVBQESA-N 1 3 213.325 0.311 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638930899 353091993 /nfs/dbraw/zinc/09/19/93/353091993.db2.gz UDZURRZOVMMYRU-SDDRHHMPSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN(C)CC(C)(C)C ZINC000638931507 353092564 /nfs/dbraw/zinc/09/25/64/353092564.db2.gz PKCHHDHFDIRXHX-WDEREUQCSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN(C)CC(C)(C)C ZINC000638931404 353092679 /nfs/dbraw/zinc/09/26/79/353092679.db2.gz PKCHHDHFDIRXHX-GHMZBOCLSA-N 1 3 241.379 0.912 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638934485 353098124 /nfs/dbraw/zinc/09/81/24/353098124.db2.gz IKKFLOAIISIXFJ-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357412281 188065861 /nfs/dbraw/zinc/06/58/61/188065861.db2.gz KUMCHVKIFFQNRC-RYUDHWBXSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357412281 188065863 /nfs/dbraw/zinc/06/58/63/188065863.db2.gz KUMCHVKIFFQNRC-RYUDHWBXSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)[NH+]1CCC(N[C@H](C)CO)CC1 ZINC000035603673 188111601 /nfs/dbraw/zinc/11/16/01/188111601.db2.gz QEAWGLGDMFWZDK-SNVBAGLBSA-N 1 3 200.326 0.830 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000309018714 188166154 /nfs/dbraw/zinc/16/61/54/188166154.db2.gz VRXBGXWTLGDBEB-RKDXNWHRSA-N 1 3 201.314 0.071 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309802449 188169211 /nfs/dbraw/zinc/16/92/11/188169211.db2.gz RLSGNPLHOVOIOA-VIFPVBQESA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000236789122 188148522 /nfs/dbraw/zinc/14/85/22/188148522.db2.gz WGDRWWUYLKZHQC-SCVCMEIPSA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000236649129 188148961 /nfs/dbraw/zinc/14/89/61/188148961.db2.gz FKOSJRFNOXSUKC-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO CC(C)([NH3+])CNC(=O)C[C@H](N)c1ccccc1 ZINC000263321047 188193376 /nfs/dbraw/zinc/19/33/76/188193376.db2.gz IYLXSNFDLBGBRG-NSHDSACASA-N 1 3 235.331 0.930 20 0 BCADHO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CN1 ZINC000237644427 188190447 /nfs/dbraw/zinc/19/04/47/188190447.db2.gz DHBJFVHWNDGJEA-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639022177 353277204 /nfs/dbraw/zinc/27/72/04/353277204.db2.gz YMIXMMRHYCKOTL-PWSUYJOCSA-N 1 3 247.342 0.888 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000250344586 353269714 /nfs/dbraw/zinc/26/97/14/353269714.db2.gz QFFWTMABOORHKT-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639028261 353288880 /nfs/dbraw/zinc/28/88/80/353288880.db2.gz XSZIJIUNLAFHQC-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639030023 353291790 /nfs/dbraw/zinc/29/17/90/353291790.db2.gz OFGIRILIZDIYMO-MGCOHNPYSA-N 1 3 213.325 0.371 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029400 353295563 /nfs/dbraw/zinc/29/55/63/353295563.db2.gz AGGXNSPHIOHVKG-OPRDCNLKSA-N 1 3 213.325 0.371 20 0 BCADHO NC(C(=O)N[C@H]1CC[C@H]([NH3+])CC1)C(F)(F)F ZINC000639031742 353300611 /nfs/dbraw/zinc/30/06/11/353300611.db2.gz VOMRZAOQSAMHIR-ACZMJKKPSA-N 1 3 239.241 0.262 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031960 353301372 /nfs/dbraw/zinc/30/13/72/353301372.db2.gz JMQVVGKPGUMSQK-DDHJBXDOSA-N 1 3 239.363 0.761 20 0 BCADHO CCN1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000165323328 353301482 /nfs/dbraw/zinc/30/14/82/353301482.db2.gz FSHLWTHCSNXGKC-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)(CO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000168616625 538115008 /nfs/dbraw/zinc/11/50/08/538115008.db2.gz ABCMHKZEAUTIQT-UWVGGRQHSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)(CO)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000168616625 538115009 /nfs/dbraw/zinc/11/50/09/538115009.db2.gz ABCMHKZEAUTIQT-UWVGGRQHSA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639043785 353328971 /nfs/dbraw/zinc/32/89/71/353328971.db2.gz ZJQCLJVHUBABAP-XYPYZODXSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371018495 133961102 /nfs/dbraw/zinc/96/11/02/133961102.db2.gz NKAVIPBFBBBJAX-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639072860 353390104 /nfs/dbraw/zinc/39/01/04/353390104.db2.gz ZZBJBBLIHCMTTR-ZJUUUORDSA-N 1 3 233.315 0.813 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000085283359 538116187 /nfs/dbraw/zinc/11/61/87/538116187.db2.gz CLDIMBXVPURQPP-UTUOFQBUSA-N 1 3 210.321 0.707 20 0 BCADHO CO[C@@H]1CC[N@H+](CCCF)[C@@H](CN)C1 ZINC000226421124 363217947 /nfs/dbraw/zinc/21/79/47/363217947.db2.gz QOZAQORMZCDYCW-NXEZZACHSA-N 1 3 204.289 0.784 20 0 BCADHO CO[C@@H]1CC[N@@H+](CCCF)[C@@H](CN)C1 ZINC000226421124 363217951 /nfs/dbraw/zinc/21/79/51/363217951.db2.gz QOZAQORMZCDYCW-NXEZZACHSA-N 1 3 204.289 0.784 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000165605749 353405431 /nfs/dbraw/zinc/40/54/31/353405431.db2.gz FNCZECHNNCEUPC-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000572481624 324122317 /nfs/dbraw/zinc/12/23/17/324122317.db2.gz SLRIQLDIWYCSOC-FOGDFJRCSA-N 1 3 227.352 0.618 20 0 BCADHO COCCN(C)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192098178 353542128 /nfs/dbraw/zinc/54/21/28/353542128.db2.gz CUTHTIWRNSBMQE-WDEREUQCSA-N 1 3 245.367 0.054 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000193566395 353601295 /nfs/dbraw/zinc/60/12/95/353601295.db2.gz JOQBCTLVHBGJES-LPEHRKFASA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC000577864664 366090097 /nfs/dbraw/zinc/09/00/97/366090097.db2.gz RAFOVMWHJGIADC-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CC[NH+]1CCC(CNC(=O)C2(N)CC2)CC1 ZINC000083835632 353711470 /nfs/dbraw/zinc/71/14/70/353711470.db2.gz RMMDEAPHAGIODF-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCN[C@@H](C)C1 ZINC000261545240 535246479 /nfs/dbraw/zinc/24/64/79/535246479.db2.gz JRYKRNYLEPHZAB-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCN[C@@H](C)C1 ZINC000261545240 535246483 /nfs/dbraw/zinc/24/64/83/535246483.db2.gz JRYKRNYLEPHZAB-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000334537022 353923691 /nfs/dbraw/zinc/92/36/91/353923691.db2.gz JGAHAEKARXPCCF-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000334537021 353923993 /nfs/dbraw/zinc/92/39/93/353923993.db2.gz JGAHAEKARXPCCF-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@H]1CSCCN1 ZINC000343587737 353941004 /nfs/dbraw/zinc/94/10/04/353941004.db2.gz DQTONIZYRCUWTG-UTLUCORTSA-N 1 3 243.376 0.030 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366844082 353983699 /nfs/dbraw/zinc/98/36/99/353983699.db2.gz MRWCWPGFTVPIMW-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CCN(CCC[NH+](CC)CC)C(=O)CN ZINC000230712238 363321484 /nfs/dbraw/zinc/32/14/84/363321484.db2.gz GAKZVXIUOQBOKC-UHFFFAOYSA-N 1 3 215.341 0.526 20 0 BCADHO CN(C)CCN(C)CCC[N@H+](C)CCCO ZINC000344044794 354108982 /nfs/dbraw/zinc/10/89/82/354108982.db2.gz XMUDFOJHUYOAKZ-UHFFFAOYSA-N 1 3 231.384 0.184 20 0 BCADHO CN(C)CCN(C)CCC[N@@H+](C)CCCO ZINC000344044794 354108983 /nfs/dbraw/zinc/10/89/83/354108983.db2.gz XMUDFOJHUYOAKZ-UHFFFAOYSA-N 1 3 231.384 0.184 20 0 BCADHO CC(C)N(C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680752 202000657 /nfs/dbraw/zinc/00/06/57/202000657.db2.gz KTJCKIATTDCVJE-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000449727467 202008176 /nfs/dbraw/zinc/00/81/76/202008176.db2.gz PZDGABNLPMJJPH-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449726413 202009109 /nfs/dbraw/zinc/00/91/09/202009109.db2.gz KXLUZSHNTJHFFT-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@H]1CCCN1C ZINC000627135349 363355144 /nfs/dbraw/zinc/35/51/44/363355144.db2.gz QZCIMYFBJQDNMF-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000334620285 354356780 /nfs/dbraw/zinc/35/67/80/354356780.db2.gz PYWKQVQJDYGXOM-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)[NH+](C)C ZINC000344700152 354336383 /nfs/dbraw/zinc/33/63/83/354336383.db2.gz JGRYBLYOZRDGTI-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)[NH+](C)C ZINC000344700166 354336462 /nfs/dbraw/zinc/33/64/62/354336462.db2.gz JGRYBLYOZRDGTI-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178855932 366171835 /nfs/dbraw/zinc/17/18/35/366171835.db2.gz RHUOPVYFGGCSNK-UMNHJUIQSA-N 1 3 241.379 0.946 20 0 BCADHO N[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000578011015 366177136 /nfs/dbraw/zinc/17/71/36/366177136.db2.gz LZQMALJYFFRFDD-MWLCHTKSSA-N 1 3 225.336 0.230 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)CC(F)F)C[C@@]1(C)C[NH3+] ZINC000578011947 366178922 /nfs/dbraw/zinc/17/89/22/366178922.db2.gz INOYJTGBCZKMSJ-SOCHQFKDSA-N 1 3 249.305 0.412 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)CNC2CC2)CC1 ZINC000178907640 366180372 /nfs/dbraw/zinc/18/03/72/366180372.db2.gz RUHKSSRXGVXRMI-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179107622 366207303 /nfs/dbraw/zinc/20/73/03/366207303.db2.gz VCRPGQDGARYNCS-BBBLOLIVSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNCC2 ZINC000335095968 354635366 /nfs/dbraw/zinc/63/53/66/354635366.db2.gz ZAFOPLGLIFAMDX-VIFPVBQESA-N 1 3 233.315 0.866 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCC2)CCCCC1 ZINC000335124483 354766407 /nfs/dbraw/zinc/76/64/07/354766407.db2.gz LYYQRVOKWDATOT-UHFFFAOYSA-N 1 3 225.336 0.646 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335169913 354932886 /nfs/dbraw/zinc/93/28/86/354932886.db2.gz JYDFBJDWLBRKES-NEPJUHHUSA-N 1 3 239.363 0.844 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335169914 354932897 /nfs/dbraw/zinc/93/28/97/354932897.db2.gz JYDFBJDWLBRKES-VXGBXAGGSA-N 1 3 239.363 0.844 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000335957370 134023837 /nfs/dbraw/zinc/02/38/37/134023837.db2.gz BVEKVPGOWGMCNT-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000335957370 134023838 /nfs/dbraw/zinc/02/38/38/134023838.db2.gz BVEKVPGOWGMCNT-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](NCC12CC(C1)CO2)[C@@H]1CC[NH2+]C1 ZINC000530217802 324534380 /nfs/dbraw/zinc/53/43/80/324534380.db2.gz CLIFNEDPWBIRPK-QTAHKJALSA-N 1 3 210.321 0.753 20 0 BCADHO NC1(C(=O)N2CC[C@H](C[NH3+])C2)CCCCC1 ZINC000335204145 355038828 /nfs/dbraw/zinc/03/88/28/355038828.db2.gz GUUWYPPGIJMBBZ-SNVBAGLBSA-N 1 3 225.336 0.455 20 0 BCADHO C[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000166066306 355005812 /nfs/dbraw/zinc/00/58/12/355005812.db2.gz BQHCATAPDPDXBB-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000166066306 355005814 /nfs/dbraw/zinc/00/58/14/355005814.db2.gz BQHCATAPDPDXBB-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335217904 355056417 /nfs/dbraw/zinc/05/64/17/355056417.db2.gz NMUJAGYVLHOHOX-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335217904 355056420 /nfs/dbraw/zinc/05/64/20/355056420.db2.gz NMUJAGYVLHOHOX-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335217907 355056469 /nfs/dbraw/zinc/05/64/69/355056469.db2.gz NMUJAGYVLHOHOX-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335217907 355056471 /nfs/dbraw/zinc/05/64/71/355056471.db2.gz NMUJAGYVLHOHOX-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCNCC1 ZINC000335185573 355084270 /nfs/dbraw/zinc/08/42/70/355084270.db2.gz BXYCOEDQMKZPBS-NWDGAFQWSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCNCC1 ZINC000335185572 355084272 /nfs/dbraw/zinc/08/42/72/355084272.db2.gz BXYCOEDQMKZPBS-NEPJUHHUSA-N 1 3 239.363 0.442 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)C12CCCN1CCC2 ZINC000335222148 355062593 /nfs/dbraw/zinc/06/25/93/355062593.db2.gz XIHUBDQWSZJICS-NSHDSACASA-N 1 3 237.347 0.483 20 0 BCADHO O=C(NCc1ccc2c(c1)CNC2)[C@H]1CC[NH2+]1 ZINC000335224471 355065572 /nfs/dbraw/zinc/06/55/72/355065572.db2.gz RJFRSQRROOQIRS-GFCCVEGCSA-N 1 3 231.299 0.268 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)C2(N)CC2)c1 ZINC000335238224 355100032 /nfs/dbraw/zinc/10/00/32/355100032.db2.gz IPEXTUOACZPERH-UHFFFAOYSA-N 1 3 219.288 0.884 20 0 BCADHO CCCNC(=O)[C@@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000346840726 355133243 /nfs/dbraw/zinc/13/32/43/355133243.db2.gz GHMJRDXUXAFEFH-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000346840726 355133246 /nfs/dbraw/zinc/13/32/46/355133246.db2.gz GHMJRDXUXAFEFH-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=O)[C@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000346840730 355133705 /nfs/dbraw/zinc/13/37/05/355133705.db2.gz GHMJRDXUXAFEFH-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=O)[C@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000346840730 355133707 /nfs/dbraw/zinc/13/37/07/355133707.db2.gz GHMJRDXUXAFEFH-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H]1CN(CC(C)(C)[NH3+])CCN1C[C@H](C)O ZINC000346844847 355135373 /nfs/dbraw/zinc/13/53/73/355135373.db2.gz LWQDZXSZQVDQOW-RYUDHWBXSA-N 1 3 243.395 0.501 20 0 BCADHO [NH3+]C1(CNC(=O)[C@H]2C[C@H](F)CN2)CCCCC1 ZINC000335251700 355173217 /nfs/dbraw/zinc/17/32/17/355173217.db2.gz FCIIKPZLFOQQEE-VHSXEESVSA-N 1 3 243.326 0.464 20 0 BCADHO CCN1CC[C@@H](NC(=O)NCC[N@H+](C)CC)C1 ZINC000413180649 191361015 /nfs/dbraw/zinc/36/10/15/191361015.db2.gz DNFKJHUEDUPDMU-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CCN1CC[C@@H](NC(=O)NCC[N@@H+](C)CC)C1 ZINC000413180649 191361016 /nfs/dbraw/zinc/36/10/16/191361016.db2.gz DNFKJHUEDUPDMU-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(N)CCCC1 ZINC000335290622 355264254 /nfs/dbraw/zinc/26/42/54/355264254.db2.gz KUWNCVJGSOHZTO-UWVGGRQHSA-N 1 3 225.336 0.372 20 0 BCADHO CCNC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335281763 355273087 /nfs/dbraw/zinc/27/30/87/355273087.db2.gz XFFTTXFPBGFXPS-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CN)C[C@H]1C ZINC000335840525 355584260 /nfs/dbraw/zinc/58/42/60/355584260.db2.gz NOUYRNHHXIAQIU-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CN)C[C@H]1C ZINC000335840525 355584263 /nfs/dbraw/zinc/58/42/63/355584263.db2.gz NOUYRNHHXIAQIU-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000335852307 355596723 /nfs/dbraw/zinc/59/67/23/355596723.db2.gz VCJWZWHCAFHDPZ-ZYHUDNBSSA-N 1 3 237.347 0.291 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)N(C)C ZINC000129850506 191863771 /nfs/dbraw/zinc/86/37/71/191863771.db2.gz LRLMLMCMLWTKSD-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336036096 134059809 /nfs/dbraw/zinc/05/98/09/134059809.db2.gz CKNOLKRYKWPDRH-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+][C@@H]1CC[C@H]2CN(CCN3CCCC3=O)C[C@@H]12 ZINC000351488176 355999798 /nfs/dbraw/zinc/99/97/98/355999798.db2.gz DXWIAYJGXAXAPJ-QJPTWQEYSA-N 1 3 237.347 0.278 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000583640981 355946910 /nfs/dbraw/zinc/94/69/10/355946910.db2.gz AIWMRGFVJHFQJW-UKKRHICBSA-N 1 3 214.309 0.260 20 0 BCADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000351807789 356088640 /nfs/dbraw/zinc/08/86/40/356088640.db2.gz HYFINKDLXNBLTO-GRYCIOLGSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1O ZINC000351807789 356088643 /nfs/dbraw/zinc/08/86/43/356088643.db2.gz HYFINKDLXNBLTO-GRYCIOLGSA-N 1 3 212.337 0.783 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H](C)N(C)C ZINC000418257951 192005687 /nfs/dbraw/zinc/00/56/87/192005687.db2.gz NCZJCOMPDMUXGG-VHSXEESVSA-N 1 3 230.356 0.219 20 0 BCADHO C[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])N(C)C ZINC000418266824 192010143 /nfs/dbraw/zinc/01/01/43/192010143.db2.gz VVCXIRBYHPFRMS-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000418267803 192010197 /nfs/dbraw/zinc/01/01/97/192010197.db2.gz WTCHPNBKBMMYTL-UWVGGRQHSA-N 1 3 230.356 0.091 20 0 BCADHO CCN1CCCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000331823644 356203993 /nfs/dbraw/zinc/20/39/93/356203993.db2.gz CGBVFYMIYRAJJF-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO CC(C)[C@H](CO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000394058393 356238794 /nfs/dbraw/zinc/23/87/94/356238794.db2.gz DLBYPTSSISFULS-STQMWFEESA-N 1 3 244.379 0.297 20 0 BCADHO COC(=O)CC1(CN2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000420300974 192207476 /nfs/dbraw/zinc/20/74/76/192207476.db2.gz DLTWVAOJCKYCRS-WDEREUQCSA-N 1 3 240.347 0.999 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420299643 192206420 /nfs/dbraw/zinc/20/64/20/192206420.db2.gz BDTDYRDENMTVOI-TUAOUCFPSA-N 1 3 240.347 0.999 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488823 356305643 /nfs/dbraw/zinc/30/56/43/356305643.db2.gz LNOAXDXXDZFKHO-NEPJUHHUSA-N 1 3 249.362 0.649 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639488823 356305647 /nfs/dbraw/zinc/30/56/47/356305647.db2.gz LNOAXDXXDZFKHO-NEPJUHHUSA-N 1 3 249.362 0.649 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420303970 192207054 /nfs/dbraw/zinc/20/70/54/192207054.db2.gz IDXRSKFLKVBMLJ-DCAQKATOSA-N 1 3 226.320 0.609 20 0 BCADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH+](C)C)N(C)C ZINC000617755116 356313528 /nfs/dbraw/zinc/31/35/28/356313528.db2.gz IFIGXACUMZBHMT-MNOVXSKESA-N 1 3 229.368 0.783 20 0 BCADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC000617759506 356315998 /nfs/dbraw/zinc/31/59/98/356315998.db2.gz IRFFJMZHLYGGOH-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)OC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420313488 192213340 /nfs/dbraw/zinc/21/33/40/192213340.db2.gz UCPFVKWWCYYLOG-MNOVXSKESA-N 1 3 228.336 0.997 20 0 BCADHO CCOC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420303532 192208031 /nfs/dbraw/zinc/20/80/31/192208031.db2.gz KOFSNAGKMLGBBL-LLVKDONJSA-N 1 3 216.325 0.903 20 0 BCADHO CCOC(=O)CCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420316555 192212882 /nfs/dbraw/zinc/21/28/82/192212882.db2.gz YIYXZQIANOSCJS-ZJUUUORDSA-N 1 3 214.309 0.609 20 0 BCADHO Cc1cnc(CCN(C)CCOCC[NH3+])s1 ZINC000420367869 192225957 /nfs/dbraw/zinc/22/59/57/192225957.db2.gz WJNCMEMIHRCUBM-UHFFFAOYSA-N 1 3 243.376 0.901 20 0 BCADHO CCOC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420324326 192229786 /nfs/dbraw/zinc/22/97/86/192229786.db2.gz VJEHQQVNVDZHNP-VHSXEESVSA-N 1 3 214.309 0.609 20 0 BCADHO CCOC(=O)CCN1C[C@H](C[NH3+])C[C@@H]1C ZINC000420324325 192230159 /nfs/dbraw/zinc/23/01/59/192230159.db2.gz VJEHQQVNVDZHNP-UWVGGRQHSA-N 1 3 214.309 0.609 20 0 BCADHO CCC[C@@H]1CN(C[C@H](C)[NH3+])CCN1CCOC ZINC000420363686 192224401 /nfs/dbraw/zinc/22/44/01/192224401.db2.gz BVXSHFRWYJGIEU-QWHCGFSZSA-N 1 3 243.395 0.766 20 0 BCADHO CCC[C@H]1CN(C[C@@H](C)[NH3+])CCN1CCOC ZINC000420363684 192224491 /nfs/dbraw/zinc/22/44/91/192224491.db2.gz BVXSHFRWYJGIEU-OLZOCXBDSA-N 1 3 243.395 0.766 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000019430581 356483348 /nfs/dbraw/zinc/48/33/48/356483348.db2.gz TWCZDBRVXIYDJS-GHMZBOCLSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627200196 363497640 /nfs/dbraw/zinc/49/76/40/363497640.db2.gz LUFQVYGEOFYMNR-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)N(C)CCN(C)C)C[NH2+]1 ZINC000627200197 363497955 /nfs/dbraw/zinc/49/79/55/363497955.db2.gz LUFQVYGEOFYMNR-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000207820477 356646136 /nfs/dbraw/zinc/64/61/36/356646136.db2.gz DNQGFKUKDWIMFO-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)(N)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000675072878 538503879 /nfs/dbraw/zinc/50/38/79/538503879.db2.gz OGVUMVKEBPHNMT-JTQLQIEISA-N 1 3 237.351 0.862 20 0 BCADHO C[C@@H]1CC[N@H+](CC(C)(C)O)C[C@@H]1CN ZINC000167671033 134153642 /nfs/dbraw/zinc/15/36/42/134153642.db2.gz FQHIFZZBPMDKBC-ZJUUUORDSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]1CC[N@@H+](CC(C)(C)O)C[C@@H]1CN ZINC000167671033 134153643 /nfs/dbraw/zinc/15/36/43/134153643.db2.gz FQHIFZZBPMDKBC-ZJUUUORDSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H](C(N)=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000639757862 356664816 /nfs/dbraw/zinc/66/48/16/356664816.db2.gz QAYHRVWVMWPHBN-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO CCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639764259 356690313 /nfs/dbraw/zinc/69/03/13/356690313.db2.gz UNMQYEBDYSPDAJ-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000582251588 356683876 /nfs/dbraw/zinc/68/38/76/356683876.db2.gz ZSIZFHQQNPMAIS-TUAOUCFPSA-N 1 3 241.379 0.973 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000398065706 538641987 /nfs/dbraw/zinc/64/19/87/538641987.db2.gz JGFUNBAULCLFFB-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000357245505 356820341 /nfs/dbraw/zinc/82/03/41/356820341.db2.gz VDFVQQYQTLQBDF-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679625 358513409 /nfs/dbraw/zinc/51/34/09/358513409.db2.gz WQVQBBYOPZFZRK-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000390542743 357103338 /nfs/dbraw/zinc/10/33/38/357103338.db2.gz LYLHBVVHOGXLDZ-UWVGGRQHSA-N 1 3 213.325 0.230 20 0 BCADHO CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582359154 357103559 /nfs/dbraw/zinc/10/35/59/357103559.db2.gz SHKYOFPKMALLCV-LLVKDONJSA-N 1 3 249.314 0.844 20 0 BCADHO C[C@H](C[C@H](C)O)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000390679238 357114162 /nfs/dbraw/zinc/11/41/62/357114162.db2.gz WREYLYKUGVLJQU-JFGNBEQYSA-N 1 3 230.352 0.191 20 0 BCADHO C[C@H](C[C@H](C)O)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390679238 357114166 /nfs/dbraw/zinc/11/41/66/357114166.db2.gz WREYLYKUGVLJQU-JFGNBEQYSA-N 1 3 230.352 0.191 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CO)CC1 ZINC000393564975 357287213 /nfs/dbraw/zinc/28/72/13/357287213.db2.gz QBXUWYUQWFJHNK-CHWSQXEVSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H](CO)CC1 ZINC000393564975 357287215 /nfs/dbraw/zinc/28/72/15/357287215.db2.gz QBXUWYUQWFJHNK-CHWSQXEVSA-N 1 3 244.379 0.393 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000582667752 357359436 /nfs/dbraw/zinc/35/94/36/357359436.db2.gz ZYCXYINERFMSAW-XKSSXDPKSA-N 1 3 213.325 0.356 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000582667751 357359488 /nfs/dbraw/zinc/35/94/88/357359488.db2.gz ZYCXYINERFMSAW-QXFUBDJGSA-N 1 3 213.325 0.356 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C ZINC000582844349 357414826 /nfs/dbraw/zinc/41/48/26/357414826.db2.gz JBYGEQPUXWLWJO-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000582975715 357449996 /nfs/dbraw/zinc/44/99/96/357449996.db2.gz PSAQEMZADNTXCL-GXSJLCMTSA-N 1 3 245.392 0.148 20 0 BCADHO O=C(NCCC[NH+]1CCCC1)[C@H]1C[C@H](F)CN1 ZINC000188699099 357572699 /nfs/dbraw/zinc/57/26/99/357572699.db2.gz WSRRMOUAMHLUTA-WDEREUQCSA-N 1 3 243.326 0.289 20 0 BCADHO C[NH+](C)CC[C@H](NCCC(N)=O)C(C)(C)C ZINC000583199362 357516328 /nfs/dbraw/zinc/51/63/28/357516328.db2.gz MEGNRMVXXDZDJK-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CNC(=O)CC[N@H+](C)CCCN1CCCCC1 ZINC000188212892 357535062 /nfs/dbraw/zinc/53/50/62/357535062.db2.gz GWNBKTGWYADRMM-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CNC(=O)CC[N@@H+](C)CCCN1CCCCC1 ZINC000188212892 357535063 /nfs/dbraw/zinc/53/50/63/357535063.db2.gz GWNBKTGWYADRMM-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000040469071 357609371 /nfs/dbraw/zinc/60/93/71/357609371.db2.gz RTFREHCGZIXSED-IUCAKERBSA-N 1 3 233.381 0.133 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000231676235 357619735 /nfs/dbraw/zinc/61/97/35/357619735.db2.gz BRIPWSTZDHTMBB-NEPJUHHUSA-N 1 3 230.352 0.722 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)CS1 ZINC000397709614 357647210 /nfs/dbraw/zinc/64/72/10/357647210.db2.gz BTIBEWUQCNQDFT-CKYFFXLPSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)CS1 ZINC000397709614 357647214 /nfs/dbraw/zinc/64/72/14/357647214.db2.gz BTIBEWUQCNQDFT-CKYFFXLPSA-N 1 3 244.404 0.925 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CS1 ZINC000397584194 363587734 /nfs/dbraw/zinc/58/77/34/363587734.db2.gz GOBBRWRHISNXAM-MNOVXSKESA-N 1 3 244.404 0.927 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCCOCC[NH+](C)C ZINC000234019387 357768106 /nfs/dbraw/zinc/76/81/06/357768106.db2.gz GWMBNQDZEWDBRF-WDEREUQCSA-N 1 3 245.367 0.054 20 0 BCADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[NH3+])C1 ZINC000659521951 491115289 /nfs/dbraw/zinc/11/52/89/491115289.db2.gz XXYPPZIWJBHLGY-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CN(C)CCOCC[NH2+]C1CCC(O)CC1 ZINC000234243131 357787547 /nfs/dbraw/zinc/78/75/47/357787547.db2.gz LBNBJMZFMXXGCT-UHFFFAOYSA-N 1 3 230.352 0.458 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399074927 357894527 /nfs/dbraw/zinc/89/45/27/357894527.db2.gz PGBXTAREBUBFHU-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399074927 357894529 /nfs/dbraw/zinc/89/45/29/357894529.db2.gz PGBXTAREBUBFHU-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C1CCN(C2CC2)CC1 ZINC000583321200 357903494 /nfs/dbraw/zinc/90/34/94/357903494.db2.gz QXVOJGPFFKZRFT-JTQLQIEISA-N 1 3 239.363 0.572 20 0 BCADHO COC[C@@](C)(CO)[NH2+]CC[C@H]1CCCN1C ZINC000639957653 357981894 /nfs/dbraw/zinc/98/18/94/357981894.db2.gz RIMIGPXGTWWCEI-VXGBXAGGSA-N 1 3 230.352 0.458 20 0 BCADHO [NH3+]CCOCCN1CCS[C@H]2COCC[C@@H]21 ZINC000584474992 357991234 /nfs/dbraw/zinc/99/12/34/357991234.db2.gz PRKGYIYDSLUGPG-QWRGUYRKSA-N 1 3 246.376 0.168 20 0 BCADHO CC[NH+]1CCC(CCNC(=O)[C@H](C)N)CC1 ZINC000168711860 134246591 /nfs/dbraw/zinc/24/65/91/134246591.db2.gz SHQHLLSPVJCFGD-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO NC1(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000584524441 358038968 /nfs/dbraw/zinc/03/89/68/358038968.db2.gz FBXSLZYFHUEYHB-VIFPVBQESA-N 1 3 246.314 0.327 20 0 BCADHO CN1CCC(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000221265177 358069581 /nfs/dbraw/zinc/06/95/81/358069581.db2.gz QLAZUNLBMZRPFZ-UHFFFAOYSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC1CCN(C)CC1 ZINC000037480166 358072683 /nfs/dbraw/zinc/07/26/83/358072683.db2.gz GLRIMKRCERFRSQ-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)CNC1CC1 ZINC000037609200 358083393 /nfs/dbraw/zinc/08/33/93/358083393.db2.gz WBGIFCPSKQWAEF-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217810239 134250737 /nfs/dbraw/zinc/25/07/37/134250737.db2.gz MBDZZULCUKOODP-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217810239 134250738 /nfs/dbraw/zinc/25/07/38/134250738.db2.gz MBDZZULCUKOODP-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO CO[C@@]1(CNCCC[NH+]2CCCC2)CCOC1 ZINC000160330090 358136721 /nfs/dbraw/zinc/13/67/21/358136721.db2.gz XKXAWJIVOQDTIB-CYBMUJFWSA-N 1 3 242.363 0.867 20 0 BCADHO CO[C@@]1(C[NH2+]CCCN2CCCC2)CCOC1 ZINC000160330090 358136725 /nfs/dbraw/zinc/13/67/25/358136725.db2.gz XKXAWJIVOQDTIB-CYBMUJFWSA-N 1 3 242.363 0.867 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000584790475 358180276 /nfs/dbraw/zinc/18/02/76/358180276.db2.gz OXEPFCSLLUPPHM-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000086068380 358209603 /nfs/dbraw/zinc/20/96/03/358209603.db2.gz UVGQOIGIFNNDDD-WDEREUQCSA-N 1 3 227.352 0.300 20 0 BCADHO COCCN(C)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000223005808 358214070 /nfs/dbraw/zinc/21/40/70/358214070.db2.gz NONJGOKILBTKDM-VXGBXAGGSA-N 1 3 229.368 0.424 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000041680233 358333818 /nfs/dbraw/zinc/33/38/18/358333818.db2.gz COOCPRNXTVBMSO-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226875023 358346852 /nfs/dbraw/zinc/34/68/52/358346852.db2.gz XBRAAYKMEQSXBP-RWMBFGLXSA-N 1 3 244.379 0.845 20 0 BCADHO CC(C)OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226875023 358346854 /nfs/dbraw/zinc/34/68/54/358346854.db2.gz XBRAAYKMEQSXBP-RWMBFGLXSA-N 1 3 244.379 0.845 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000227833435 358364557 /nfs/dbraw/zinc/36/45/57/358364557.db2.gz GOAQMIDBCPXMFT-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC[NH+]1CCC(CNC(=O)CNC2CC2)CC1 ZINC000044526769 358389569 /nfs/dbraw/zinc/38/95/69/358389569.db2.gz UEQIVUOVDJDGRY-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](N)C(=O)NCC1CC[NH+](CC)CC1 ZINC000044526767 358389676 /nfs/dbraw/zinc/38/96/76/358389676.db2.gz XJPWRIKNWLYRIA-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044538935 358390621 /nfs/dbraw/zinc/39/06/21/358390621.db2.gz YRRBAEBKCVGKKH-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044538935 358390623 /nfs/dbraw/zinc/39/06/23/358390623.db2.gz YRRBAEBKCVGKKH-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000044539020 358391090 /nfs/dbraw/zinc/39/10/90/358391090.db2.gz CDQDPOUOPUUIKD-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CNC(=O)C(C)(C)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000230385217 358397854 /nfs/dbraw/zinc/39/78/54/358397854.db2.gz RUVSKRSVOVEPFI-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000230385217 358397858 /nfs/dbraw/zinc/39/78/58/358397858.db2.gz RUVSKRSVOVEPFI-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO CO[C@@H]1CN(CCN2CC[NH2+]CC2)CC[C@H]1C ZINC000299991049 358421409 /nfs/dbraw/zinc/42/14/09/358421409.db2.gz CYVDYUQFNDELQS-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CC[C@H](CO)[NH2+][C@H]1CCCC[C@H]1CN ZINC000219372083 134281654 /nfs/dbraw/zinc/28/16/54/134281654.db2.gz WNDHGJBZHXQZDZ-AXFHLTTASA-N 1 3 200.326 0.864 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000086271922 358573737 /nfs/dbraw/zinc/57/37/37/358573737.db2.gz GFBFLVOYQARZMK-KOLCDFICSA-N 1 3 225.336 0.195 20 0 BCADHO CCOC[C@H](C)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130648364 358638601 /nfs/dbraw/zinc/63/86/01/358638601.db2.gz QTUFZHMCGZZYGY-XQQFMLRXSA-N 1 3 242.363 0.864 20 0 BCADHO CCOC[C@H](C)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130648364 358638604 /nfs/dbraw/zinc/63/86/04/358638604.db2.gz QTUFZHMCGZZYGY-XQQFMLRXSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCCCN1 ZINC000049559645 358695420 /nfs/dbraw/zinc/69/54/20/358695420.db2.gz VYWYJENXRJJBEP-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000130183269 358737935 /nfs/dbraw/zinc/73/79/35/358737935.db2.gz FCHMZIVPZNAJNF-VHSXEESVSA-N 1 3 243.376 0.031 20 0 BCADHO [NH3+][C@H](CNC(=O)c1ccc2c(c1)CNC2)C1CC1 ZINC000578236515 366465126 /nfs/dbraw/zinc/46/51/26/366465126.db2.gz XVXFCVVRPAZBDO-CYBMUJFWSA-N 1 3 245.326 0.757 20 0 BCADHO OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134871853 358809327 /nfs/dbraw/zinc/80/93/27/358809327.db2.gz HBLRCYCVDMDGMP-AAEUAGOBSA-N 1 3 224.348 0.927 20 0 BCADHO OCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134871853 358809331 /nfs/dbraw/zinc/80/93/31/358809331.db2.gz HBLRCYCVDMDGMP-AAEUAGOBSA-N 1 3 224.348 0.927 20 0 BCADHO COC[C@@H](O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057323 134296995 /nfs/dbraw/zinc/29/69/95/134296995.db2.gz VQLCFBYGTNJVSP-SRVKXCTJSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057323 134296996 /nfs/dbraw/zinc/29/69/96/134296996.db2.gz VQLCFBYGTNJVSP-SRVKXCTJSA-N 1 3 230.352 0.408 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCn2cccn2)C1 ZINC000086403567 358968685 /nfs/dbraw/zinc/96/86/85/358968685.db2.gz IXCQEDLFJKORDB-GHMZBOCLSA-N 1 3 208.309 0.743 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930677 358921501 /nfs/dbraw/zinc/92/15/01/358921501.db2.gz ICJBDDOUTDVTCA-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000061645009 358936040 /nfs/dbraw/zinc/93/60/40/358936040.db2.gz CWEGHCYKXCXQDO-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@H](C(N)=O)N1CCC(C[NH+](C)C)CC1 ZINC000061679220 358936319 /nfs/dbraw/zinc/93/63/19/358936319.db2.gz NBIJIPXZCXICAE-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623433056 358946711 /nfs/dbraw/zinc/94/67/11/358946711.db2.gz YJRDYOPIXZDDFC-VHSXEESVSA-N 1 3 200.326 0.830 20 0 BCADHO C[C@@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433056 358946713 /nfs/dbraw/zinc/94/67/13/358946713.db2.gz YJRDYOPIXZDDFC-VHSXEESVSA-N 1 3 200.326 0.830 20 0 BCADHO Cc1c[nH+]ccc1N1CCCN(CCO)CC1 ZINC000070489807 359057691 /nfs/dbraw/zinc/05/76/91/359057691.db2.gz UBHDZDCEDDTBNN-UHFFFAOYSA-N 1 3 235.331 0.894 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000423362037 192731722 /nfs/dbraw/zinc/73/17/22/192731722.db2.gz ARSSPTCPQAEQAF-WZRBSPASSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(CCN(C)C)C1CC1 ZINC000572282744 359349424 /nfs/dbraw/zinc/34/94/24/359349424.db2.gz LPCSMSHKFVCYBJ-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000423744141 192826556 /nfs/dbraw/zinc/82/65/56/192826556.db2.gz NGGRKMYVJIYYSC-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CS[C@H](C)CNC[C@H](O)C[NH+]1CCCC1 ZINC000122018982 359675497 /nfs/dbraw/zinc/67/54/97/359675497.db2.gz FDDUINQHYDCEPG-MNOVXSKESA-N 1 3 232.393 0.784 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000578356909 366537232 /nfs/dbraw/zinc/53/72/32/366537232.db2.gz JXUMPUYWKUQKIM-RNJXMRFFSA-N 1 3 235.278 0.226 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578360325 366538643 /nfs/dbraw/zinc/53/86/43/366538643.db2.gz AYQSIVIZTGHBOL-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO O=C(CNC1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000578489193 366579012 /nfs/dbraw/zinc/57/90/12/366579012.db2.gz LRSJKKPZDBTBNJ-LLVKDONJSA-N 1 3 223.320 0.091 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CCSC ZINC000087471665 366583408 /nfs/dbraw/zinc/58/34/08/366583408.db2.gz YAEVCYQJABMYNV-VIFPVBQESA-N 1 3 233.381 0.135 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091211 359937495 /nfs/dbraw/zinc/93/74/95/359937495.db2.gz ZCHJCGYUQQDBTN-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091211 359937498 /nfs/dbraw/zinc/93/74/98/359937498.db2.gz ZCHJCGYUQQDBTN-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CCCC[NH3+])[C@H]2C1 ZINC000578766542 366643524 /nfs/dbraw/zinc/64/35/24/366643524.db2.gz ZLBLTTYXOMFAOG-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CCCC[NH3+])[C@H]2C1 ZINC000578766544 366644169 /nfs/dbraw/zinc/64/41/69/366644169.db2.gz ZLBLTTYXOMFAOG-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H](O)C[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000306588949 360494594 /nfs/dbraw/zinc/49/45/94/360494594.db2.gz WGPXBAIVRMIXDW-NAKRPEOUSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@H](O)C[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000306588949 360494598 /nfs/dbraw/zinc/49/45/98/360494598.db2.gz WGPXBAIVRMIXDW-NAKRPEOUSA-N 1 3 200.326 0.672 20 0 BCADHO CCN(CC[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000626950555 360529641 /nfs/dbraw/zinc/52/96/41/360529641.db2.gz URXUARBYGQDBQG-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO CC(C)N1CCC([NH2+]C[C@H](O)CN(C)C)CC1 ZINC000154378024 360796257 /nfs/dbraw/zinc/79/62/57/360796257.db2.gz QYCDQKRZEUFWER-ZDUSSCGKSA-N 1 3 243.395 0.371 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000154788748 360851385 /nfs/dbraw/zinc/85/13/85/360851385.db2.gz VWFZEHNAWYDZQI-UWVGGRQHSA-N 1 3 215.341 0.332 20 0 BCADHO CN(C)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155773811 360919183 /nfs/dbraw/zinc/91/91/83/360919183.db2.gz QZXGXEBDDLRJKD-NWDGAFQWSA-N 1 3 211.353 0.764 20 0 BCADHO CN(C)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155773811 360919185 /nfs/dbraw/zinc/91/91/85/360919185.db2.gz QZXGXEBDDLRJKD-NWDGAFQWSA-N 1 3 211.353 0.764 20 0 BCADHO Cc1n[nH]c(C)c1CNCCOCCC[NH3+] ZINC000629398884 361045822 /nfs/dbraw/zinc/04/58/22/361045822.db2.gz IUEZRVAYGAHHIZ-UHFFFAOYSA-N 1 3 226.324 0.482 20 0 BCADHO Cc1nn(C)cc1CNCCOCCC[NH3+] ZINC000629399305 361046620 /nfs/dbraw/zinc/04/66/20/361046620.db2.gz OPECVMRHQDDXCB-UHFFFAOYSA-N 1 3 226.324 0.184 20 0 BCADHO CCn1cc(CNCCOCCC[NH3+])cn1 ZINC000629399569 361050627 /nfs/dbraw/zinc/05/06/27/361050627.db2.gz VBGPOLDHEUNQCT-UHFFFAOYSA-N 1 3 226.324 0.358 20 0 BCADHO N[C@H]1C[C@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000424177584 200877595 /nfs/dbraw/zinc/87/75/95/200877595.db2.gz PWGKHFLLOQSRJP-AEJSXWLSSA-N 1 3 211.309 0.064 20 0 BCADHO COC[C@@]1(C)CN(CC2CC[NH2+]CC2)CCO1 ZINC000629508317 361101960 /nfs/dbraw/zinc/10/19/60/361101960.db2.gz YUQPHUTZJUPUSW-CYBMUJFWSA-N 1 3 242.363 0.723 20 0 BCADHO C[N@H+](CCOC1CCOCC1)C1CCNCC1 ZINC000629509094 361103318 /nfs/dbraw/zinc/10/33/18/361103318.db2.gz IWQZLYACJRMPPH-UHFFFAOYSA-N 1 3 242.363 0.866 20 0 BCADHO C[N@@H+](CCOC1CCOCC1)C1CCNCC1 ZINC000629509094 361103323 /nfs/dbraw/zinc/10/33/23/361103323.db2.gz IWQZLYACJRMPPH-UHFFFAOYSA-N 1 3 242.363 0.866 20 0 BCADHO CCn1nncc1CN[C@H](C)CCCC[NH3+] ZINC000629509492 361103598 /nfs/dbraw/zinc/10/35/98/361103598.db2.gz ABIGHJLRSNABRA-SNVBAGLBSA-N 1 3 225.340 0.905 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000366634180 181323736 /nfs/dbraw/zinc/32/37/36/181323736.db2.gz UVPVZEMIKJSDPH-MNOVXSKESA-N 1 3 237.347 0.468 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOC1CCOCC1 ZINC000629516542 361115490 /nfs/dbraw/zinc/11/54/90/361115490.db2.gz JUOJRSAUIYVFKN-NEPJUHHUSA-N 1 3 242.363 0.851 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@@H]1COCCN1 ZINC000629528048 361135372 /nfs/dbraw/zinc/13/53/72/361135372.db2.gz NNTILMXEHDCAKW-FVCCEPFGSA-N 1 3 241.379 0.484 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1ccccn1 ZINC000629529922 361147107 /nfs/dbraw/zinc/14/71/07/361147107.db2.gz QMCRWWFGDCEELL-NSHDSACASA-N 1 3 223.320 0.968 20 0 BCADHO NC1(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000336529781 181324457 /nfs/dbraw/zinc/32/44/57/181324457.db2.gz MTYXSVCUQLHGBP-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000366634183 181324560 /nfs/dbraw/zinc/32/45/60/181324560.db2.gz UVPVZEMIKJSDPH-QWRGUYRKSA-N 1 3 237.347 0.468 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC[C@@H]1COCCN1C ZINC000629532825 361155792 /nfs/dbraw/zinc/15/57/92/361155792.db2.gz VGVZTNUWQUANRL-GARJFASQSA-N 1 3 215.341 0.032 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525028 361125571 /nfs/dbraw/zinc/12/55/71/361125571.db2.gz XZRNURBBYMQLGV-DBIOUOCHSA-N 1 3 225.336 0.357 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000629525030 361126029 /nfs/dbraw/zinc/12/60/29/361126029.db2.gz XZRNURBBYMQLGV-NAKRPEOUSA-N 1 3 225.336 0.357 20 0 BCADHO NC1(C(=O)NC2CC[NH2+]CC2)CCCCC1 ZINC000336555304 181325809 /nfs/dbraw/zinc/32/58/09/181325809.db2.gz NLLXAOHOOAWHIH-UHFFFAOYSA-N 1 3 225.336 0.516 20 0 BCADHO [NH3+]C1(C(=O)NCCN2CCCC2)CCCCC1 ZINC000035663345 181325388 /nfs/dbraw/zinc/32/53/88/181325388.db2.gz KZAAKTWDKRWCDX-UHFFFAOYSA-N 1 3 239.363 0.860 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482001 361267503 /nfs/dbraw/zinc/26/75/03/361267503.db2.gz PDEZKKVJBNCWMX-TUAOUCFPSA-N 1 3 210.321 0.537 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640482001 361267506 /nfs/dbraw/zinc/26/75/06/361267506.db2.gz PDEZKKVJBNCWMX-TUAOUCFPSA-N 1 3 210.321 0.537 20 0 BCADHO CCCN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000579109111 366711814 /nfs/dbraw/zinc/71/18/14/366711814.db2.gz OAASYQSSHQMBAN-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO CCCN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000579109113 366712539 /nfs/dbraw/zinc/71/25/39/366712539.db2.gz OAASYQSSHQMBAN-RKDXNWHRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000428195260 201002456 /nfs/dbraw/zinc/00/24/56/201002456.db2.gz HNJAUJLZAJBEEV-OUAUKWLOSA-N 1 3 225.336 0.337 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428413212 201014124 /nfs/dbraw/zinc/01/41/24/201014124.db2.gz OLXDFAMDUHJNFW-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000428419843 201016611 /nfs/dbraw/zinc/01/66/11/201016611.db2.gz GEJXBEXOVDJVRG-SNVBAGLBSA-N 1 3 213.325 0.147 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCCC[NH3+] ZINC000428482536 201023983 /nfs/dbraw/zinc/02/39/83/201023983.db2.gz OZKVTTIACFUQPU-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000622044559 370677217 /nfs/dbraw/zinc/67/72/17/370677217.db2.gz KOHHRQASFIVUSE-CYZMBNFOSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H]1CCC(=O)NC1(C)C ZINC000622044847 370678762 /nfs/dbraw/zinc/67/87/62/370678762.db2.gz VCMAQNNVRNFUIK-DTWKUNHWSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H](N)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000622044847 370678766 /nfs/dbraw/zinc/67/87/66/370678766.db2.gz VCMAQNNVRNFUIK-DTWKUNHWSA-N 1 3 213.325 0.371 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)N(C)C ZINC000428607590 201028533 /nfs/dbraw/zinc/02/85/33/201028533.db2.gz QLMXRYHOVWKSOV-NEPJUHHUSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N(C)C ZINC000428607591 201028754 /nfs/dbraw/zinc/02/87/54/201028754.db2.gz QLMXRYHOVWKSOV-RYUDHWBXSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000428618850 201029623 /nfs/dbraw/zinc/02/96/23/201029623.db2.gz CHZQLWOSSNITNN-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428957084 201051407 /nfs/dbraw/zinc/05/14/07/201051407.db2.gz ZTVBPMIYZOVXAL-QCNOEVLYSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000428952930 201052987 /nfs/dbraw/zinc/05/29/87/201052987.db2.gz NBJNNHLHQPBMBQ-HBNTYKKESA-N 1 3 241.379 0.864 20 0 BCADHO C[C@H](NC(=O)[C@H]1CCCCN1)[C@@H]1CCC[NH2+]C1 ZINC000428969090 201055177 /nfs/dbraw/zinc/05/51/77/201055177.db2.gz QQONYHHDGJDOCX-QJPTWQEYSA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@@H](C(=O)NCC[C@H](C)[NH3+])N(CC)CC ZINC000429035054 201060408 /nfs/dbraw/zinc/06/04/08/201060408.db2.gz LKLCPBWYWQTAHB-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000429189620 201078096 /nfs/dbraw/zinc/07/80/96/201078096.db2.gz CLKJHOKHHVAMDN-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](NCCOCCC[NH3+])c1cn[nH]c1 ZINC000629539227 361404604 /nfs/dbraw/zinc/40/46/04/361404604.db2.gz PAELJJWAQSSPIW-SECBINFHSA-N 1 3 212.297 0.426 20 0 BCADHO CNC(=O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000429539410 201111529 /nfs/dbraw/zinc/11/15/29/201111529.db2.gz KXRWZXFFUKDPCN-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CNC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539410 201111532 /nfs/dbraw/zinc/11/15/32/201111532.db2.gz KXRWZXFFUKDPCN-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CNC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539410 201111535 /nfs/dbraw/zinc/11/15/35/201111535.db2.gz KXRWZXFFUKDPCN-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000579355337 366768132 /nfs/dbraw/zinc/76/81/32/366768132.db2.gz FSASBSPULWJEGN-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC1CCN(C2CC2)CC1 ZINC000629543942 361413117 /nfs/dbraw/zinc/41/31/17/361413117.db2.gz DYNODWSZUNXBFX-GXFFZTMASA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429657904 201123372 /nfs/dbraw/zinc/12/33/72/201123372.db2.gz NCHPYLDGSDTYQC-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@@H](C(=O)NCC(C)(C)[NH3+])N(CC)CC ZINC000429660783 201124588 /nfs/dbraw/zinc/12/45/88/201124588.db2.gz OMDOEFKVBSZXDL-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CN(CCN[C@@H]1CCC[C@H]1C[NH3+])CC(F)F ZINC000629555964 361448737 /nfs/dbraw/zinc/44/87/37/361448737.db2.gz KCTPEOWOXPGCMQ-VHSXEESVSA-N 1 3 235.322 0.900 20 0 BCADHO CN(CC[NH2+][C@@H]1CCC[C@H]1CN)CC(F)F ZINC000629555964 361448745 /nfs/dbraw/zinc/44/87/45/361448745.db2.gz KCTPEOWOXPGCMQ-VHSXEESVSA-N 1 3 235.322 0.900 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629556391 361450274 /nfs/dbraw/zinc/45/02/74/361450274.db2.gz OXUHRYAHHXSKNE-RWMBFGLXSA-N 1 3 241.379 0.031 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCCN(C)CC(F)F ZINC000629556785 361445312 /nfs/dbraw/zinc/44/53/12/361445312.db2.gz YMCPYHFVIJHDCS-RKDXNWHRSA-N 1 3 223.311 0.899 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000432510983 201162341 /nfs/dbraw/zinc/16/23/41/201162341.db2.gz BNSAPEQLJIOMHQ-IJLUTSLNSA-N 1 3 241.379 0.687 20 0 BCADHO CC[C@@H](C(=O)N(C)CCC[NH3+])N(C)C ZINC000629612563 361498975 /nfs/dbraw/zinc/49/89/75/361498975.db2.gz FQSWDYWLXJKEBM-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]C)C1)N(C)C ZINC000629612503 361499593 /nfs/dbraw/zinc/49/95/93/361499593.db2.gz DLXYAASQOFJODU-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@@H](C(=O)NCC1CC[NH2+]CC1)N(C)C ZINC000629610400 361500332 /nfs/dbraw/zinc/50/03/32/361500332.db2.gz BOFWLIBCDRYOJM-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@H](C(=O)N1CCC(C[NH2+]C)CC1)N(C)C ZINC000629611663 361500682 /nfs/dbraw/zinc/50/06/82/361500682.db2.gz AAEPSISOJHPFIF-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)N1CCC[NH2+]CC1)N(C)C ZINC000629611212 361501381 /nfs/dbraw/zinc/50/13/81/361501381.db2.gz QGJQLHJEHVGLDB-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CC[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)N(C)C ZINC000629611742 361501861 /nfs/dbraw/zinc/50/18/61/361501861.db2.gz DJHADWZRZVIRBH-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000629612039 361502221 /nfs/dbraw/zinc/50/22/21/361502221.db2.gz PVSKETONHJXMPU-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000629612173 361502462 /nfs/dbraw/zinc/50/24/62/361502462.db2.gz WFYHEFWCSMRHSU-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000629614681 361503507 /nfs/dbraw/zinc/50/35/07/361503507.db2.gz MGLCJMQTEWBFTO-SDDRHHMPSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)N(C)C ZINC000629615590 361505463 /nfs/dbraw/zinc/50/54/63/361505463.db2.gz VVFHDGKHGNMOMG-ZYHUDNBSSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)N(C)C ZINC000629615916 361505698 /nfs/dbraw/zinc/50/56/98/361505698.db2.gz ZDJPPVDTHSWEMY-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N(C)C ZINC000629613640 361508048 /nfs/dbraw/zinc/50/80/48/361508048.db2.gz PZUXJAVEPJMLJU-NQBHXWOUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)N(C)C ZINC000629613799 361508397 /nfs/dbraw/zinc/50/83/97/361508397.db2.gz SXBIZNJXPSTPRP-SFYZADRCSA-N 1 3 237.294 0.425 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC000629613753 361508423 /nfs/dbraw/zinc/50/84/23/361508423.db2.gz SBLRUXVDZLHHAQ-NXEZZACHSA-N 1 3 215.341 0.441 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)N(C)C ZINC000629613750 361508501 /nfs/dbraw/zinc/50/85/01/361508501.db2.gz SAZQKOFLEAVCAW-UTUOFQBUSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000629614423 361509630 /nfs/dbraw/zinc/50/96/30/361509630.db2.gz JMISDJLXXVEVLL-QJPTWQEYSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C)C1)N(C)C ZINC000629612338 361498000 /nfs/dbraw/zinc/49/80/00/361498000.db2.gz CSKMZXNTKARYLD-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO COC1(C[NH2+]C[C@@H]2CNCCCO2)CCCC1 ZINC000629648891 361541731 /nfs/dbraw/zinc/54/17/31/361541731.db2.gz BPWHEKYXOPHSDM-LBPRGKRZSA-N 1 3 242.363 0.914 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000434858638 201242559 /nfs/dbraw/zinc/24/25/59/201242559.db2.gz APQUTIPHXURVGP-ZJUUUORDSA-N 1 3 245.392 0.181 20 0 BCADHO C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)N1 ZINC000153242204 201230512 /nfs/dbraw/zinc/23/05/12/201230512.db2.gz UBBOJDAZXFOGOS-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000153438675 201236702 /nfs/dbraw/zinc/23/67/02/201236702.db2.gz JJCJUQJASPOGIR-SDDRHHMPSA-N 1 3 241.379 0.781 20 0 BCADHO C[C@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H](C)N1 ZINC000153807236 201250203 /nfs/dbraw/zinc/25/02/03/201250203.db2.gz XRIMRZDHSXSINJ-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)N(C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435241239 201256521 /nfs/dbraw/zinc/25/65/21/201256521.db2.gz SRMQPKNMVFHMRC-GFCCVEGCSA-N 1 3 239.363 0.680 20 0 BCADHO CCC[C@@H](N)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435234200 201257629 /nfs/dbraw/zinc/25/76/29/201257629.db2.gz FNOABCWBHTVEJR-GHMZBOCLSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000155242985 201309126 /nfs/dbraw/zinc/30/91/26/201309126.db2.gz XEPXWDWYHNHZFK-NAKRPEOUSA-N 1 3 227.352 0.569 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000155234994 201309313 /nfs/dbraw/zinc/30/93/13/201309313.db2.gz XGCGMFLQBMKCAB-UTLUCORTSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822786 201352685 /nfs/dbraw/zinc/35/26/85/201352685.db2.gz NTRFOANFQOITMM-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822786 201352688 /nfs/dbraw/zinc/35/26/88/201352688.db2.gz NTRFOANFQOITMM-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO NCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364182651 181350573 /nfs/dbraw/zinc/35/05/73/181350573.db2.gz NKRBDNRILTUOIE-MNOVXSKESA-N 1 3 237.278 0.038 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946157 364090693 /nfs/dbraw/zinc/09/06/93/364090693.db2.gz HAGHQLUWJOSNLK-LLVKDONJSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946157 364090699 /nfs/dbraw/zinc/09/06/99/364090699.db2.gz HAGHQLUWJOSNLK-LLVKDONJSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@](C)(N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604486 364328497 /nfs/dbraw/zinc/32/84/97/364328497.db2.gz ALRSSPWUMSMGEW-KOLCDFICSA-N 1 3 223.324 0.614 20 0 BCADHO CN(C)CCc1cn(CC[NH+]2CCCC2)nn1 ZINC000630617743 364353294 /nfs/dbraw/zinc/35/32/94/364353294.db2.gz HOBXGNWIDUBQGD-UHFFFAOYSA-N 1 3 237.351 0.478 20 0 BCADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN1C ZINC000615309114 364683944 /nfs/dbraw/zinc/68/39/44/364683944.db2.gz QJQISWSHBAUOTO-IJLUTSLNSA-N 1 3 239.363 0.632 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000573487691 364845632 /nfs/dbraw/zinc/84/56/32/364845632.db2.gz JJTAVLNWGGFWTB-XVKPBYJWSA-N 1 3 237.294 0.603 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000573924131 364941453 /nfs/dbraw/zinc/94/14/53/364941453.db2.gz RGNPMSBCKRVFIL-QWRGUYRKSA-N 1 3 227.352 0.300 20 0 BCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000574038397 364972898 /nfs/dbraw/zinc/97/28/98/364972898.db2.gz COGYRUHUXBZZOV-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CN[C@H](C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000574172773 365004272 /nfs/dbraw/zinc/00/42/72/365004272.db2.gz WAQIBYQTTWXAHI-KXUCPTDWSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)N(C)C ZINC000168986415 365048381 /nfs/dbraw/zinc/04/83/81/365048381.db2.gz BSCIRPNBNUPIBX-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)N(C)C ZINC000168986497 365048688 /nfs/dbraw/zinc/04/86/88/365048688.db2.gz BSCIRPNBNUPIBX-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)(O)CN1CC2CCC1(C[NH3+])CC2 ZINC000574530885 365085100 /nfs/dbraw/zinc/08/51/00/365085100.db2.gz GWQGDJWSOTURKW-UHFFFAOYSA-N 1 3 212.337 0.961 20 0 BCADHO CC[NH2+]CCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000574548909 365087718 /nfs/dbraw/zinc/08/77/18/365087718.db2.gz UIBQRNYMKHPAGW-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCCN1 ZINC000574638813 365108966 /nfs/dbraw/zinc/10/89/66/365108966.db2.gz LKEHTVMRNSYUIF-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)CC[C@H](O)CNC[C@@H](O)C[NH+](C)C ZINC000574876538 365157058 /nfs/dbraw/zinc/15/70/58/365157058.db2.gz ASJKYMFFXDADNC-NWDGAFQWSA-N 1 3 232.368 0.296 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(CCN(C)C)C1CC1 ZINC000574873979 365163685 /nfs/dbraw/zinc/16/36/85/365163685.db2.gz BUIKGGKPGJSCAN-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO CNC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000574881298 365166532 /nfs/dbraw/zinc/16/65/32/365166532.db2.gz DQIJTAOZVXCGKF-TUAOUCFPSA-N 1 3 230.352 0.362 20 0 BCADHO C[NH2+]C[C@](C)(O)CN[C@@H](C)[C@@H]1CCCOC1 ZINC000574881298 365166539 /nfs/dbraw/zinc/16/65/39/365166539.db2.gz DQIJTAOZVXCGKF-TUAOUCFPSA-N 1 3 230.352 0.362 20 0 BCADHO C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000575124869 365212212 /nfs/dbraw/zinc/21/22/12/365212212.db2.gz KVVDKKZURRYZIL-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCN1 ZINC000444167308 193039928 /nfs/dbraw/zinc/03/99/28/193039928.db2.gz LMRRWFBRNSNWKV-HBNTYKKESA-N 1 3 223.320 0.091 20 0 BCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCN1 ZINC000444167308 193039930 /nfs/dbraw/zinc/03/99/30/193039930.db2.gz LMRRWFBRNSNWKV-HBNTYKKESA-N 1 3 223.320 0.091 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCC[C@@H]1C ZINC000444180230 193039981 /nfs/dbraw/zinc/03/99/81/193039981.db2.gz HDBWDEWVJIQZOX-QJPTWQEYSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181825 193040012 /nfs/dbraw/zinc/04/00/12/193040012.db2.gz JXKRIXUMVLIWNC-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+]1)N1CCCC[C@H]1C ZINC000444180229 193040626 /nfs/dbraw/zinc/04/06/26/193040626.db2.gz HDBWDEWVJIQZOX-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444273298 193042761 /nfs/dbraw/zinc/04/27/61/193042761.db2.gz MTVYUVYVZSLXFC-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444262327 193043559 /nfs/dbraw/zinc/04/35/59/193043559.db2.gz ALPZNSCPDZQZFA-MNOVXSKESA-N 1 3 227.352 0.762 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]2)CN1C1CC1 ZINC000444272486 193043681 /nfs/dbraw/zinc/04/36/81/193043681.db2.gz XKAHCUHZQKEFRT-IQJOONFLSA-N 1 3 223.320 0.090 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000336731418 365366874 /nfs/dbraw/zinc/36/68/74/365366874.db2.gz FIAUEADDAAMDHT-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO CNCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000575748624 365351068 /nfs/dbraw/zinc/35/10/68/365351068.db2.gz ONIPMZGTAKXKNI-VIFPVBQESA-N 1 3 234.303 0.056 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000336597780 365341492 /nfs/dbraw/zinc/34/14/92/365341492.db2.gz MXZDADHKOWGICT-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO CSC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000575917325 365411990 /nfs/dbraw/zinc/41/19/90/365411990.db2.gz UYPWFQBEWVJSCJ-OUAUKWLOSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000575917325 365411995 /nfs/dbraw/zinc/41/19/95/365411995.db2.gz UYPWFQBEWVJSCJ-OUAUKWLOSA-N 1 3 232.393 0.783 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000575916362 365412177 /nfs/dbraw/zinc/41/21/77/365412177.db2.gz DVJQYVFIIZLJGA-SDDRHHMPSA-N 1 3 241.379 0.641 20 0 BCADHO CSC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000575917323 365412331 /nfs/dbraw/zinc/41/23/31/365412331.db2.gz UYPWFQBEWVJSCJ-GMTAPVOTSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000575917323 365412335 /nfs/dbraw/zinc/41/23/35/365412335.db2.gz UYPWFQBEWVJSCJ-GMTAPVOTSA-N 1 3 232.393 0.783 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000579590402 366894410 /nfs/dbraw/zinc/89/44/10/366894410.db2.gz DYMBZSJMTSKINK-WCABBAIRSA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000576106767 365488973 /nfs/dbraw/zinc/48/89/73/365488973.db2.gz LCQIKESMZZJJOL-UTLUCORTSA-N 1 3 213.325 0.167 20 0 BCADHO [NH3+]CCOc1ccc(NC(=O)CNC2CC2)cc1 ZINC000183262125 367006163 /nfs/dbraw/zinc/00/61/63/367006163.db2.gz GQUMDVFLRPJAFD-UHFFFAOYSA-N 1 3 249.314 0.715 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000579853766 367053529 /nfs/dbraw/zinc/05/35/29/367053529.db2.gz AKSXQTHWIKMLKA-NWDGAFQWSA-N 1 3 241.379 0.926 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000579859240 367056097 /nfs/dbraw/zinc/05/60/97/367056097.db2.gz LQGMPVRQMFQSAF-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000579859240 367056105 /nfs/dbraw/zinc/05/61/05/367056105.db2.gz LQGMPVRQMFQSAF-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000580956781 367217050 /nfs/dbraw/zinc/21/70/50/367217050.db2.gz FYFKJKVFKMCOMZ-WZRBSPASSA-N 1 3 237.347 0.196 20 0 BCADHO FC(F)[C@H]1CNCCN1CC[C@H]1CC[NH2+]C1 ZINC000581311177 367339818 /nfs/dbraw/zinc/33/98/18/367339818.db2.gz MAJWEXBSXPUUJV-NXEZZACHSA-N 1 3 233.306 0.525 20 0 BCADHO CC[C@@H](COC)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381215491 367364211 /nfs/dbraw/zinc/36/42/11/367364211.db2.gz FTKLRXANHPHARI-CMPLNLGQSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@@H](COC)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381215491 367364219 /nfs/dbraw/zinc/36/42/19/367364219.db2.gz FTKLRXANHPHARI-CMPLNLGQSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000381232583 367367730 /nfs/dbraw/zinc/36/77/30/367367730.db2.gz LDBUDDWPYKSNOU-SCZZXKLOSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000381605800 367437416 /nfs/dbraw/zinc/43/74/16/367437416.db2.gz IKJYCTXVZFAWPR-OPRDCNLKSA-N 1 3 213.325 0.226 20 0 BCADHO C[NH2+]CC1CCN(C(=O)C(C)(C)N)CC1 ZINC000381655301 367444924 /nfs/dbraw/zinc/44/49/24/367444924.db2.gz FBYPYTHVKRICKF-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO O[C@@H]1CC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000382304603 367505556 /nfs/dbraw/zinc/50/55/56/367505556.db2.gz OKWQDFXXGBCTDB-CHWSQXEVSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NCCN1CCCCC1 ZINC000382947324 367571582 /nfs/dbraw/zinc/57/15/82/367571582.db2.gz KPAKLNWEHBMMIA-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000382925341 367568420 /nfs/dbraw/zinc/56/84/20/367568420.db2.gz DFWFGVXOGRFYDN-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000382925341 367568424 /nfs/dbraw/zinc/56/84/24/367568424.db2.gz DFWFGVXOGRFYDN-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000581549337 367577833 /nfs/dbraw/zinc/57/78/33/367577833.db2.gz LISWLRGDOLUPJL-WDSKDSINSA-N 1 3 227.230 0.120 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCCC[NH+](C)C ZINC000382986615 367581211 /nfs/dbraw/zinc/58/12/11/367581211.db2.gz WFVAMEYQTFPQMN-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[N@H+](C[C@H](O)CNC[C@@]1(C)CCCO1)C1CC1 ZINC000383487958 367627572 /nfs/dbraw/zinc/62/75/72/367627572.db2.gz AHLJBIZXAAUJLM-CHWSQXEVSA-N 1 3 242.363 0.600 20 0 BCADHO C[N@@H+](C[C@H](O)CNC[C@@]1(C)CCCO1)C1CC1 ZINC000383487958 367627576 /nfs/dbraw/zinc/62/75/76/367627576.db2.gz AHLJBIZXAAUJLM-CHWSQXEVSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)NC1CC1)[NH+](C)C ZINC000383359384 367616259 /nfs/dbraw/zinc/61/62/59/367616259.db2.gz MZMAQVXOTYVYIU-BDAKNGLRSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H](CCN(C)C)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000383644573 367646838 /nfs/dbraw/zinc/64/68/38/367646838.db2.gz CDKUAMJBUBDWQD-WCQYABFASA-N 1 3 243.395 0.371 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000581656780 367657369 /nfs/dbraw/zinc/65/73/69/367657369.db2.gz QSGNCYUWMOQMGQ-MNOVXSKESA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000581666174 367665289 /nfs/dbraw/zinc/66/52/89/367665289.db2.gz FKKWETJSZRCUFJ-SECBINFHSA-N 1 3 233.315 0.614 20 0 BCADHO CN(C)CCN(C(=O)[C@H]1CC[NH2+]1)C1CCCC1 ZINC000384775719 367730016 /nfs/dbraw/zinc/73/00/16/367730016.db2.gz JWRQZUBWQPEPTR-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)C[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384819822 367737032 /nfs/dbraw/zinc/73/70/32/367737032.db2.gz OKBDILIHNIAKIN-OLZOCXBDSA-N 1 3 247.342 0.767 20 0 BCADHO CSCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000069001423 370872253 /nfs/dbraw/zinc/87/22/53/370872253.db2.gz SYYXRFYJMZBODW-LLVKDONJSA-N 1 3 232.393 0.786 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000581884281 367875043 /nfs/dbraw/zinc/87/50/43/367875043.db2.gz CTGLHFZRBCGONR-VWYCJHECSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCCCN1 ZINC000386561402 367992239 /nfs/dbraw/zinc/99/22/39/367992239.db2.gz JDQQBVMYAYVZEV-SRVKXCTJSA-N 1 3 228.336 0.522 20 0 BCADHO COC[C@H](C)C[NH2+]C[C@H]1CCCNC1 ZINC000087647040 367948352 /nfs/dbraw/zinc/94/83/52/367948352.db2.gz GUVXRXVIEWWPQA-MNOVXSKESA-N 1 3 200.326 0.858 20 0 BCADHO COC[C@@H](C)C[NH2+]C[C@@H]1CCCNC1 ZINC000087647033 367948929 /nfs/dbraw/zinc/94/89/29/367948929.db2.gz GUVXRXVIEWWPQA-WDEREUQCSA-N 1 3 200.326 0.858 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(N)CCCCC1 ZINC000566258533 326020901 /nfs/dbraw/zinc/02/09/01/326020901.db2.gz WGUHGVSYDBTTJQ-ZJUUUORDSA-N 1 3 227.352 0.890 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN(C)Cc1ccccc1 ZINC000386730203 368014393 /nfs/dbraw/zinc/01/43/93/368014393.db2.gz AZHJRJRWLJRAGX-LBPRGKRZSA-N 1 3 249.358 0.843 20 0 BCADHO CCN(CC)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510248 368083992 /nfs/dbraw/zinc/08/39/92/368083992.db2.gz YHPFMILUROHAFA-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO C[C@H](CO)[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000252958410 368171092 /nfs/dbraw/zinc/17/10/92/368171092.db2.gz SUXVDDAUGWWEBB-WOPDTQHZSA-N 1 3 230.352 0.050 20 0 BCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCN(C)C ZINC000387410280 368172453 /nfs/dbraw/zinc/17/24/53/368172453.db2.gz CNKOZLPXZDMXEK-SNVBAGLBSA-N 1 3 229.368 0.688 20 0 BCADHO C[C@H]1CC[N@H+](CC(C)(C)O)C[C@H]1CN ZINC000253182043 368604882 /nfs/dbraw/zinc/60/48/82/368604882.db2.gz FQHIFZZBPMDKBC-VHSXEESVSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@H]1CC[N@@H+](CC(C)(C)O)C[C@H]1CN ZINC000253182043 368604884 /nfs/dbraw/zinc/60/48/84/368604884.db2.gz FQHIFZZBPMDKBC-VHSXEESVSA-N 1 3 200.326 0.674 20 0 BCADHO COCCN(C)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086404062 368879784 /nfs/dbraw/zinc/87/97/84/368879784.db2.gz NONJGOKILBTKDM-NWDGAFQWSA-N 1 3 229.368 0.424 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000091395030 369011431 /nfs/dbraw/zinc/01/14/31/369011431.db2.gz ZTZJYYQOXXGQCS-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000567383896 326180690 /nfs/dbraw/zinc/18/06/90/326180690.db2.gz CZEBFVFKXACOFD-ZWNOBZJWSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](C(=O)N1CCCC[C@@H]1CN(C)C)[C@H](C)[NH3+] ZINC000404906485 369438290 /nfs/dbraw/zinc/43/82/90/369438290.db2.gz YWVTWGVTKLUCJW-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404969926 369441720 /nfs/dbraw/zinc/44/17/20/369441720.db2.gz KMQCNHPCLUTCIU-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000567847293 326269385 /nfs/dbraw/zinc/26/93/85/326269385.db2.gz HAKQXFMNDQYCON-FOGDFJRCSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@H]1CSCCN1 ZINC000567925609 326284101 /nfs/dbraw/zinc/28/41/01/326284101.db2.gz PDXAJSREPFPMBF-GUBZILKMSA-N 1 3 245.392 0.324 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NCCC[NH+](C)C ZINC000620321929 369834216 /nfs/dbraw/zinc/83/42/16/369834216.db2.gz ZLGVMLJDINYZTB-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CCCN2C)CC[NH2+]1 ZINC000621152891 370125861 /nfs/dbraw/zinc/12/58/61/370125861.db2.gz GZOMLWGFISPBMJ-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C)CC[NH2+]1 ZINC000621152890 370126129 /nfs/dbraw/zinc/12/61/29/370126129.db2.gz GZOMLWGFISPBMJ-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H](C)C1C[NH2+]C1 ZINC000253171637 370155985 /nfs/dbraw/zinc/15/59/85/370155985.db2.gz JADMSRAGWPDHEP-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000568271025 326338374 /nfs/dbraw/zinc/33/83/74/326338374.db2.gz QUQUZFOWQQHESZ-NKWVEPMBSA-N 1 3 237.294 0.459 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684353 370434628 /nfs/dbraw/zinc/43/46/28/370434628.db2.gz KWWXTUBWLCNGCV-SRRSOLGSSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684388 370434686 /nfs/dbraw/zinc/43/46/86/370434686.db2.gz LSQZKWTTYFNFBS-HOSYDEDBSA-N 1 3 225.336 0.310 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684728 370434692 /nfs/dbraw/zinc/43/46/92/370434692.db2.gz RKMLWHDJRIDUFF-NGZCFLSTSA-N 1 3 211.309 0.064 20 0 BCADHO CCn1cc(CCN2CC[C@@H](C[NH3+])C2)cn1 ZINC000621774409 370519946 /nfs/dbraw/zinc/51/99/46/370519946.db2.gz SRCSGNXZKCISJH-NSHDSACASA-N 1 3 222.336 0.726 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621785014 370537198 /nfs/dbraw/zinc/53/71/98/370537198.db2.gz XSVQCGNSSZLQOO-ZYHUDNBSSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC000621785014 370537204 /nfs/dbraw/zinc/53/72/04/370537204.db2.gz XSVQCGNSSZLQOO-ZYHUDNBSSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621785013 370537772 /nfs/dbraw/zinc/53/77/72/370537772.db2.gz XSVQCGNSSZLQOO-PWSUYJOCSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)C(=O)CC[N@H+]1C[C@H]2CCC[C@]2(N)C1 ZINC000621785013 370537775 /nfs/dbraw/zinc/53/77/75/370537775.db2.gz XSVQCGNSSZLQOO-PWSUYJOCSA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000572644988 326402541 /nfs/dbraw/zinc/40/25/41/326402541.db2.gz SNRNSDLYUCDYMZ-NKWVEPMBSA-N 1 3 241.257 0.366 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120195 371319064 /nfs/dbraw/zinc/31/90/64/371319064.db2.gz UHPCJRNVALJYSH-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120195 371319072 /nfs/dbraw/zinc/31/90/72/371319072.db2.gz UHPCJRNVALJYSH-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120195 371319078 /nfs/dbraw/zinc/31/90/78/371319078.db2.gz UHPCJRNVALJYSH-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCN1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000624226018 371413682 /nfs/dbraw/zinc/41/36/82/371413682.db2.gz HZNICBXPJFLAOD-CYBMUJFWSA-N 1 3 241.379 0.127 20 0 BCADHO CC[NH+]1CCC(NCCN2CC[C@@H](O)C2)CC1 ZINC000624226018 371413685 /nfs/dbraw/zinc/41/36/85/371413685.db2.gz HZNICBXPJFLAOD-CYBMUJFWSA-N 1 3 241.379 0.127 20 0 BCADHO CSCC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000131721301 371659880 /nfs/dbraw/zinc/65/98/80/371659880.db2.gz LIXXWLNBGQJREG-NXEZZACHSA-N 1 3 245.392 0.325 20 0 BCADHO COCC[N@H+](C)CCNC(=O)CN(C)C(C)C ZINC000171127183 372336130 /nfs/dbraw/zinc/33/61/30/372336130.db2.gz JKJNKGBETCDKAA-UHFFFAOYSA-N 1 3 245.367 0.021 20 0 BCADHO COCC[N@@H+](C)CCNC(=O)CN(C)C(C)C ZINC000171127183 372336134 /nfs/dbraw/zinc/33/61/34/372336134.db2.gz JKJNKGBETCDKAA-UHFFFAOYSA-N 1 3 245.367 0.021 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000631827403 372607640 /nfs/dbraw/zinc/60/76/40/372607640.db2.gz NSAQHQKOXBTBCH-MNOVXSKESA-N 1 3 249.362 0.743 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC[C@H]1CCc2ncnn21 ZINC000631827403 372607642 /nfs/dbraw/zinc/60/76/42/372607642.db2.gz NSAQHQKOXBTBCH-MNOVXSKESA-N 1 3 249.362 0.743 20 0 BCADHO COCCCC[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631840039 372607655 /nfs/dbraw/zinc/60/76/55/372607655.db2.gz OUYJDRLELVIVHW-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO COCCCC[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631840039 372607660 /nfs/dbraw/zinc/60/76/60/372607660.db2.gz OUYJDRLELVIVHW-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO C[C@@H]1OCC[C@H]1CN1CCCO[C@@H](C[NH3+])C1 ZINC000631828750 372609489 /nfs/dbraw/zinc/60/94/89/372609489.db2.gz XIFPKEYTYRNZGT-SRVKXCTJSA-N 1 3 228.336 0.461 20 0 BCADHO CCn1cc(CCN2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC000631836639 372624519 /nfs/dbraw/zinc/62/45/19/372624519.db2.gz DBYONKRRLDXDHF-DGCLKSJQSA-N 1 3 236.363 0.972 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@@H](N)C[C@H]1C ZINC000631860545 372659639 /nfs/dbraw/zinc/65/96/39/372659639.db2.gz KVTHWBYQGPRUMA-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@@H](N)C[C@H]1C ZINC000631860545 372659646 /nfs/dbraw/zinc/65/96/46/372659646.db2.gz KVTHWBYQGPRUMA-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@@H](N)C[C@@H]1C ZINC000631860546 372659858 /nfs/dbraw/zinc/65/98/58/372659858.db2.gz KVTHWBYQGPRUMA-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@@H](N)C[C@@H]1C ZINC000631860546 372659866 /nfs/dbraw/zinc/65/98/66/372659866.db2.gz KVTHWBYQGPRUMA-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@]1(C[NH3+])CCN(C[C@H]2CCc3ncnn32)C1 ZINC000631825887 372604089 /nfs/dbraw/zinc/60/40/89/372604089.db2.gz XVWWUDNZUBWDPB-ZYHUDNBSSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@]1(CN)CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825887 372604096 /nfs/dbraw/zinc/60/40/96/372604096.db2.gz XVWWUDNZUBWDPB-ZYHUDNBSSA-N 1 3 235.335 0.436 20 0 BCADHO C[C@]1(CN)CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000631825887 372604099 /nfs/dbraw/zinc/60/40/99/372604099.db2.gz XVWWUDNZUBWDPB-ZYHUDNBSSA-N 1 3 235.335 0.436 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCN(C)[C@@H](C(C)C)C1 ZINC000631880502 372679887 /nfs/dbraw/zinc/67/98/87/372679887.db2.gz WSUMUKQSEUAJFT-OLZOCXBDSA-N 1 3 243.395 0.229 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCCNCC1 ZINC000336307019 182028702 /nfs/dbraw/zinc/02/87/02/182028702.db2.gz SNTVIAXRJYFYBQ-LBPRGKRZSA-N 1 3 239.363 0.588 20 0 BCADHO NC1(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)CC1 ZINC000632869568 373200810 /nfs/dbraw/zinc/20/08/10/373200810.db2.gz QZGJTZWTKNVLTG-JTQLQIEISA-N 1 3 245.326 0.642 20 0 BCADHO CNCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632878083 373203944 /nfs/dbraw/zinc/20/39/44/373203944.db2.gz KDNUPCFROBGJHT-JTQLQIEISA-N 1 3 233.315 0.370 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000037042423 182115389 /nfs/dbraw/zinc/11/53/89/182115389.db2.gz JJCQTFZKYTWDNO-LBPRGKRZSA-N 1 3 237.347 0.481 20 0 BCADHO CO[C@@H](C)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000381628177 374136623 /nfs/dbraw/zinc/13/66/23/374136623.db2.gz NETWEFVFNDJIBQ-RYUDHWBXSA-N 1 3 230.352 0.458 20 0 BCADHO COCCOCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000155884642 206071231 /nfs/dbraw/zinc/07/12/31/206071231.db2.gz YXTCKQAQXUHLQB-NEPJUHHUSA-N 1 3 230.352 0.722 20 0 BCADHO COCCOCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155884642 206071234 /nfs/dbraw/zinc/07/12/34/206071234.db2.gz YXTCKQAQXUHLQB-NEPJUHHUSA-N 1 3 230.352 0.722 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000368705262 182329061 /nfs/dbraw/zinc/32/90/61/182329061.db2.gz ZDDVBLIYVJXAIX-QWRGUYRKSA-N 1 3 225.336 0.387 20 0 BCADHO CCN(CC)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457207636 206121036 /nfs/dbraw/zinc/12/10/36/206121036.db2.gz MUBJLPJLFDREPY-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO CCCCN(C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000166640727 206142719 /nfs/dbraw/zinc/14/27/19/206142719.db2.gz HCZDGPATVJTESA-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000167326293 206146095 /nfs/dbraw/zinc/14/60/95/206146095.db2.gz MFMWRGBUOGHKMY-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000167326293 206146101 /nfs/dbraw/zinc/14/61/01/206146101.db2.gz MFMWRGBUOGHKMY-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO O=C(Nc1cccc2c1CNCC2)[C@H]1CC[NH2+]C1 ZINC000367652428 182373957 /nfs/dbraw/zinc/37/39/57/182373957.db2.gz DHKNOHACMPEPPO-NSHDSACASA-N 1 3 245.326 0.880 20 0 BCADHO CCN(CC)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000178940076 134313807 /nfs/dbraw/zinc/31/38/07/134313807.db2.gz WAXTZUXTYVWCHI-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000337515961 169006028 /nfs/dbraw/zinc/00/60/28/169006028.db2.gz QBNZROOBCVYUAX-MXWKQRLJSA-N 1 3 227.352 0.700 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309017598 169007567 /nfs/dbraw/zinc/00/75/67/169007567.db2.gz VEGOCFMUVUXJOB-IUCAKERBSA-N 1 3 201.314 0.215 20 0 BCADHO CCCC[C@H](N)C(=O)NCCC[NH2+]C ZINC000083343679 169007709 /nfs/dbraw/zinc/00/77/09/169007709.db2.gz PNIXAEVPMYPRDM-VIFPVBQESA-N 1 3 201.314 0.230 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356394882 169068376 /nfs/dbraw/zinc/06/83/76/169068376.db2.gz PSYDTDHNQBZKJB-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356394882 169068379 /nfs/dbraw/zinc/06/83/79/169068379.db2.gz PSYDTDHNQBZKJB-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000356394882 169068381 /nfs/dbraw/zinc/06/83/81/169068381.db2.gz PSYDTDHNQBZKJB-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1CCC[NH2+]CC1 ZINC000042354529 169068770 /nfs/dbraw/zinc/06/87/70/169068770.db2.gz LOLNDLJBYPLJBJ-UHFFFAOYSA-N 1 3 213.325 0.150 20 0 BCADHO CCCN(C)CC(=O)NCC[NH2+]CC ZINC000309644884 169071500 /nfs/dbraw/zinc/07/15/00/169071500.db2.gz PXPVJANGQWROEQ-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000359261530 169071628 /nfs/dbraw/zinc/07/16/28/169071628.db2.gz FFFSSEBNDUQQNT-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000359261530 169071629 /nfs/dbraw/zinc/07/16/29/169071629.db2.gz FFFSSEBNDUQQNT-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000358554226 169071758 /nfs/dbraw/zinc/07/17/58/169071758.db2.gz JDFNRPQVSOJSOV-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362497641 169067394 /nfs/dbraw/zinc/06/73/94/169067394.db2.gz JDEVWXJJZULEPP-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@]1(F)CCNC1 ZINC000378204440 169121460 /nfs/dbraw/zinc/12/14/60/169121460.db2.gz WDTBOHHRSFKGGJ-GFCCVEGCSA-N 1 3 245.342 0.536 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@]1(F)CCNC1 ZINC000378204440 169121463 /nfs/dbraw/zinc/12/14/63/169121463.db2.gz WDTBOHHRSFKGGJ-GFCCVEGCSA-N 1 3 245.342 0.536 20 0 BCADHO Oc1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000083362614 183289806 /nfs/dbraw/zinc/28/98/06/183289806.db2.gz IHSJBSVSPMUWCM-UHFFFAOYSA-N 1 3 235.331 0.387 20 0 BCADHO CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCN1C ZINC000356974959 169158691 /nfs/dbraw/zinc/15/86/91/169158691.db2.gz BXTITOHDDAFNJW-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCC[NH+]1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000040829685 169188154 /nfs/dbraw/zinc/18/81/54/169188154.db2.gz YBXIWKBQDIKTBX-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CCC([NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000049555209 169188811 /nfs/dbraw/zinc/18/88/11/169188811.db2.gz CRMQBDFHUYDWBU-CYBMUJFWSA-N 1 3 243.395 0.373 20 0 BCADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(N)=O ZINC000336775813 169199704 /nfs/dbraw/zinc/19/97/04/169199704.db2.gz CTHCGNUURKXJEL-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(N)=O ZINC000336775813 169199705 /nfs/dbraw/zinc/19/97/05/169199705.db2.gz CTHCGNUURKXJEL-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000125997210 169200060 /nfs/dbraw/zinc/20/00/60/169200060.db2.gz RMFHSQFVUOTJPI-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO CCC[NH2+]CCNC(=O)C[C@@H]1CSCCN1 ZINC000236767974 169258143 /nfs/dbraw/zinc/25/81/43/169258143.db2.gz SMFUVLUSVWKNMN-SNVBAGLBSA-N 1 3 245.392 0.197 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000236782358 169258663 /nfs/dbraw/zinc/25/86/63/169258663.db2.gz IMAISDCPMRTMSJ-ZDUSSCGKSA-N 1 3 249.358 0.845 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)[C@H](C)CC ZINC000236800282 169259287 /nfs/dbraw/zinc/25/92/87/169259287.db2.gz SPFQGVSVPKRFQM-NXEZZACHSA-N 1 3 215.341 0.476 20 0 BCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)CN ZINC000178818695 134315479 /nfs/dbraw/zinc/31/54/79/134315479.db2.gz DBCOKANGHBDHIJ-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CN ZINC000178818695 134315480 /nfs/dbraw/zinc/31/54/80/134315480.db2.gz DBCOKANGHBDHIJ-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CCC[C@@H](N)C(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000309509973 169389570 /nfs/dbraw/zinc/38/95/70/169389570.db2.gz XACXLMJKTUDZLD-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089329 169388953 /nfs/dbraw/zinc/38/89/53/169388953.db2.gz VYYOGWPNJYLODT-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CCC[NH+]1CCC(NCC[C@@H](O)COC)CC1 ZINC000223821385 134342986 /nfs/dbraw/zinc/34/29/86/134342986.db2.gz XXOJONAPQDJMOV-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000648124828 383851606 /nfs/dbraw/zinc/85/16/06/383851606.db2.gz CXLAJNZRLBVHID-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178575760 383854374 /nfs/dbraw/zinc/85/43/74/383854374.db2.gz ZVVILCXIDXLPSM-AEJSXWLSSA-N 1 3 213.325 0.167 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392898 383970391 /nfs/dbraw/zinc/97/03/91/383970391.db2.gz TWWFBWXKECPGTA-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000300055633 383974509 /nfs/dbraw/zinc/97/45/09/383974509.db2.gz JASZTQHZGCOSBE-VWYCJHECSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000237182322 383977709 /nfs/dbraw/zinc/97/77/09/383977709.db2.gz TYNRKISXIHYDQM-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCC(C)(C)[NH3+] ZINC000648127346 384023565 /nfs/dbraw/zinc/02/35/65/384023565.db2.gz MCFOTBOIMYAMKE-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000648127716 384053041 /nfs/dbraw/zinc/05/30/41/384053041.db2.gz PYPDCSBSZZJAFJ-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@H](C)[C@H]2C)CC[N@@H+]1C ZINC000648127918 384057949 /nfs/dbraw/zinc/05/79/49/384057949.db2.gz OORPBVFTKBLXBW-DDHJBXDOSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@H](C)[C@H]2C)CC[N@H+]1C ZINC000648127918 384057955 /nfs/dbraw/zinc/05/79/55/384057955.db2.gz OORPBVFTKBLXBW-DDHJBXDOSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@@H](C)[C@H]2C)CC[N@@H+]1C ZINC000648127919 384058525 /nfs/dbraw/zinc/05/85/25/384058525.db2.gz OORPBVFTKBLXBW-IRCOFANPSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@@H](C)[C@H]2C)CC[N@H+]1C ZINC000648127919 384058533 /nfs/dbraw/zinc/05/85/33/384058533.db2.gz OORPBVFTKBLXBW-IRCOFANPSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000449381370 384099130 /nfs/dbraw/zinc/09/91/30/384099130.db2.gz RSWFMIDGLQJYMJ-GWOFURMSSA-N 1 3 225.336 0.051 20 0 BCADHO C[C@@H](O)[C@@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000564976174 384103058 /nfs/dbraw/zinc/10/30/58/384103058.db2.gz SNIDWNKOEMJOCO-UTUOFQBUSA-N 1 3 230.352 0.192 20 0 BCADHO COC[C@@H](O)CCNC1CC[NH+](C(C)C)CC1 ZINC000227877229 134391555 /nfs/dbraw/zinc/39/15/55/134391555.db2.gz ZMECBEZAELZLLF-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC[NH2+]C1 ZINC000648140898 384171842 /nfs/dbraw/zinc/17/18/42/384171842.db2.gz PGRLKNPKETVYJM-NHCYSSNCSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237464498 384221799 /nfs/dbraw/zinc/22/17/99/384221799.db2.gz NQGWWFAHDKQRTL-WISYIIOYSA-N 1 3 241.379 0.816 20 0 BCADHO Cn1cc(CN2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000069626450 384247787 /nfs/dbraw/zinc/24/77/87/384247787.db2.gz ZYQICTMNKOMLDY-NSHDSACASA-N 1 3 222.336 0.981 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC000228471748 384258494 /nfs/dbraw/zinc/25/84/94/384258494.db2.gz HPLZQRKEVJVMPY-YNEHKIRRSA-N 1 3 234.347 0.942 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000401937467 384313750 /nfs/dbraw/zinc/31/37/50/384313750.db2.gz CXPVYJBADZEOSL-QWRGUYRKSA-N 1 3 228.336 0.210 20 0 BCADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCCN ZINC000308785607 384290826 /nfs/dbraw/zinc/29/08/26/384290826.db2.gz FVHVPDSPIUKTQQ-NSHDSACASA-N 1 3 210.325 0.846 20 0 BCADHO CC(C)[C@H](Cn1cccn1)NCCC[NH3+] ZINC000308785607 384290832 /nfs/dbraw/zinc/29/08/32/384290832.db2.gz FVHVPDSPIUKTQQ-NSHDSACASA-N 1 3 210.325 0.846 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773196 384294832 /nfs/dbraw/zinc/29/48/32/384294832.db2.gz NAVSNAVGFMAKOW-NNYUYHANSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370773196 384294838 /nfs/dbraw/zinc/29/48/38/384294838.db2.gz NAVSNAVGFMAKOW-NNYUYHANSA-N 1 3 237.347 0.276 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C1(N)CC1 ZINC000083835725 384337012 /nfs/dbraw/zinc/33/70/12/384337012.db2.gz UULDYWFXHLTPIW-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335630165 384403569 /nfs/dbraw/zinc/40/35/69/384403569.db2.gz UIERHUVWARZUID-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000262772545 384409790 /nfs/dbraw/zinc/40/97/90/384409790.db2.gz MOYWJKUGABZMNW-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000084215779 384377648 /nfs/dbraw/zinc/37/76/48/384377648.db2.gz WNDHGJBZHXQZDZ-GMTAPVOTSA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169032861 384389618 /nfs/dbraw/zinc/38/96/18/384389618.db2.gz NOBNJLNNGAMAKA-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000169032941 384390001 /nfs/dbraw/zinc/39/00/01/384390001.db2.gz NOBNJLNNGAMAKA-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1CNCCC1(F)F ZINC000648145235 384445105 /nfs/dbraw/zinc/44/51/05/384445105.db2.gz VBMMZCVLNUREPN-FXQIFTODSA-N 1 3 235.278 0.083 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000565539962 384428645 /nfs/dbraw/zinc/42/86/45/384428645.db2.gz RWWVGVVQIZCLHO-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO CC1(C(=O)NC2CCN(C3CC3)CC2)C[NH2+]C1 ZINC000335649591 384428964 /nfs/dbraw/zinc/42/89/64/384428964.db2.gz OAEXQTBWYASXTG-UHFFFAOYSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CCC1)C[NH+]1CCCC1 ZINC000148254050 384462933 /nfs/dbraw/zinc/46/29/33/384462933.db2.gz XTTQKTHQEUBVBL-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000249027683 384464449 /nfs/dbraw/zinc/46/44/49/384464449.db2.gz LREFDHZQOFQHFJ-NAKRPEOUSA-N 1 3 239.363 0.711 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000249027686 384464480 /nfs/dbraw/zinc/46/44/80/384464480.db2.gz LREFDHZQOFQHFJ-VPOLOUISSA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)[NH+]1CCC(NC(=O)[C@H](C)N)CC1 ZINC000037041697 384474421 /nfs/dbraw/zinc/47/44/21/384474421.db2.gz POHUAUUGHCAMTM-VIFPVBQESA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037484149 384505377 /nfs/dbraw/zinc/50/53/77/384505377.db2.gz ZPNTVKWFQUGPAH-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484149 384505383 /nfs/dbraw/zinc/50/53/83/384505383.db2.gz ZPNTVKWFQUGPAH-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)C[C@H]1[NH3+] ZINC000648176812 384506017 /nfs/dbraw/zinc/50/60/17/384506017.db2.gz ODXPANGRORCVOB-IWSPIJDZSA-N 1 3 247.289 0.037 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000236649174 384542079 /nfs/dbraw/zinc/54/20/79/384542079.db2.gz WTWFPQUMMBQKAM-SNVBAGLBSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236649728 384543669 /nfs/dbraw/zinc/54/36/69/384543669.db2.gz FGCQMWJJAUSJAV-LBPRGKRZSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000236649563 384543996 /nfs/dbraw/zinc/54/39/96/384543996.db2.gz HUIPGWSEZLUHNL-JTQLQIEISA-N 1 3 213.325 0.180 20 0 BCADHO [NH3+]C[C@@H](NC(=O)CNC1CC1)C1CCCC1 ZINC000561194397 384555690 /nfs/dbraw/zinc/55/56/90/384555690.db2.gz IKJNKFXCSNFQMW-LLVKDONJSA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH3+])N(C)C ZINC000236719929 384556553 /nfs/dbraw/zinc/55/65/53/384556553.db2.gz LKLIFBYWLBFRAT-VHSXEESVSA-N 1 3 215.341 0.284 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236716417 384558517 /nfs/dbraw/zinc/55/85/17/384558517.db2.gz FZKVEFNSERDCMN-MXWKQRLJSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](C(=O)NCCC[NH3+])N1CCCCC1 ZINC000236806478 384575468 /nfs/dbraw/zinc/57/54/68/384575468.db2.gz UBXLSULFIZEKDW-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236843177 384591097 /nfs/dbraw/zinc/59/10/97/384591097.db2.gz MNIVHKJWTOONEC-GFCCVEGCSA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)CC(=O)NC1(C[NH3+])CCCC1 ZINC000236841746 384588413 /nfs/dbraw/zinc/58/84/13/384588413.db2.gz ABRMHHFSRJWNPQ-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000236843035 384588730 /nfs/dbraw/zinc/58/87/30/384588730.db2.gz FWKKYXQZVJLHJX-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000236837772 384589886 /nfs/dbraw/zinc/58/98/86/384589886.db2.gz GTMLFNUQUVWHDW-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000236842691 384590153 /nfs/dbraw/zinc/59/01/53/384590153.db2.gz IOGLUQNORGYFMR-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000041680238 384632784 /nfs/dbraw/zinc/63/27/84/384632784.db2.gz MBCWGZYRPIFBJW-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CC[C@](C)(CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000319905312 384597674 /nfs/dbraw/zinc/59/76/74/384597674.db2.gz QMQYPWQLFJWBCI-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185025987 384672267 /nfs/dbraw/zinc/67/22/67/384672267.db2.gz PDUURGHFJVLASK-QCNOEVLYSA-N 1 3 239.363 0.556 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449604196 384691450 /nfs/dbraw/zinc/69/14/50/384691450.db2.gz SOTFTZWSUHUCGQ-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO Cn1nncc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545771 384726905 /nfs/dbraw/zinc/72/69/05/384726905.db2.gz PUBKILNSYWAKNS-NEPJUHHUSA-N 1 3 249.362 0.637 20 0 BCADHO Cn1nncc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545774 384727269 /nfs/dbraw/zinc/72/72/69/384727269.db2.gz PUBKILNSYWAKNS-VXGBXAGGSA-N 1 3 249.362 0.637 20 0 BCADHO C[C@H](C(=O)NCC1C[NH2+]C1)[C@H](N)c1ccccc1 ZINC000646901963 384708336 /nfs/dbraw/zinc/70/83/36/384708336.db2.gz WBOJQCKYVUIKDC-GWCFXTLKSA-N 1 3 247.342 0.658 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000236872452 384713812 /nfs/dbraw/zinc/71/38/12/384713812.db2.gz IKYNDNUDLLEAKS-RYUDHWBXSA-N 1 3 241.379 0.770 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000236872452 384713819 /nfs/dbraw/zinc/71/38/19/384713819.db2.gz IKYNDNUDLLEAKS-RYUDHWBXSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932298 384721324 /nfs/dbraw/zinc/72/13/24/384721324.db2.gz MHILTEGARHRASF-OPRDCNLKSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932298 384721328 /nfs/dbraw/zinc/72/13/28/384721328.db2.gz MHILTEGARHRASF-OPRDCNLKSA-N 1 3 211.309 0.029 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368371904 384776889 /nfs/dbraw/zinc/77/68/89/384776889.db2.gz YPRFEQOEIKYLFC-GVXVVHGQSA-N 1 3 239.363 0.714 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)CCC1 ZINC000648186021 384741040 /nfs/dbraw/zinc/74/10/40/384741040.db2.gz LOAQSPIQYPYROU-SNVBAGLBSA-N 1 3 237.347 0.659 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037452 384779808 /nfs/dbraw/zinc/77/98/08/384779808.db2.gz IBDJMHLHEWONKD-GHMZBOCLSA-N 1 3 237.347 0.291 20 0 BCADHO CC(C)[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694740 384770010 /nfs/dbraw/zinc/77/00/10/384770010.db2.gz PUEQJPDBAHVGLV-RTBKNWGFSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449650276 384816624 /nfs/dbraw/zinc/81/66/24/384816624.db2.gz TYMPHHLKUBWCEI-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000335475350 384816916 /nfs/dbraw/zinc/81/69/16/384816916.db2.gz AGSWKFKPNUXHAS-PWSUYJOCSA-N 1 3 225.336 0.311 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000054133106 384821056 /nfs/dbraw/zinc/82/10/56/384821056.db2.gz ZCKUFTKYWKYARO-CYBMUJFWSA-N 1 3 249.358 0.624 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000054133106 384821059 /nfs/dbraw/zinc/82/10/59/384821059.db2.gz ZCKUFTKYWKYARO-CYBMUJFWSA-N 1 3 249.358 0.624 20 0 BCADHO COC(=O)CCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000126978002 384835280 /nfs/dbraw/zinc/83/52/80/384835280.db2.gz MOERWAKBVNUDOM-VHSXEESVSA-N 1 3 214.309 0.609 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000518188261 384782415 /nfs/dbraw/zinc/78/24/15/384782415.db2.gz LQOQSUQYCHQVDQ-XLPZGREQSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000518188259 384783541 /nfs/dbraw/zinc/78/35/41/384783541.db2.gz LQOQSUQYCHQVDQ-FXQIFTODSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1NCC1(C)C ZINC000648190279 384803032 /nfs/dbraw/zinc/80/30/32/384803032.db2.gz NFIYJZGCNCOKDS-XHNCKOQMSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000648190193 384803436 /nfs/dbraw/zinc/80/34/36/384803436.db2.gz GJRLBAGUQXINQP-HRDYMLBCSA-N 1 3 201.314 0.212 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000648178167 384803570 /nfs/dbraw/zinc/80/35/70/384803570.db2.gz XEUDYDZSOSWWPT-VIFPVBQESA-N 1 3 249.305 0.299 20 0 BCADHO CC[C@H](CN[C@@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000310040019 384809966 /nfs/dbraw/zinc/80/99/66/384809966.db2.gz XNJFFPVEXGARQC-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449650279 384814271 /nfs/dbraw/zinc/81/42/71/384814271.db2.gz TYMPHHLKUBWCEI-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C(=O)NC[C@@H]1CCCN1C)C1C[NH2+]C1 ZINC000226078081 384937093 /nfs/dbraw/zinc/93/70/93/384937093.db2.gz DHXDSSZUGFKCSQ-KOLCDFICSA-N 1 3 225.336 0.052 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000258884559 384945453 /nfs/dbraw/zinc/94/54/53/384945453.db2.gz USJPFFFPWOYMMN-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO Cc1ccc(CC[N@@H+](C)C[C@H](O)CN)cc1 ZINC000258855720 384948357 /nfs/dbraw/zinc/94/83/57/384948357.db2.gz FIFOWSSYNNKAMM-CYBMUJFWSA-N 1 3 222.332 0.789 20 0 BCADHO Cc1ccc(CC[N@H+](C)C[C@H](O)CN)cc1 ZINC000258855720 384948363 /nfs/dbraw/zinc/94/83/63/384948363.db2.gz FIFOWSSYNNKAMM-CYBMUJFWSA-N 1 3 222.332 0.789 20 0 BCADHO C[NH+]1CCC(O)(CNCc2ccns2)CC1 ZINC000404450046 384999704 /nfs/dbraw/zinc/99/97/04/384999704.db2.gz QNLNKJJSVPUJLW-UHFFFAOYSA-N 1 3 241.360 0.689 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000310354568 385002494 /nfs/dbraw/zinc/00/24/94/385002494.db2.gz QIZHPEDQUPDZNR-UMSGYPCISA-N 1 3 244.379 0.702 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000310354568 385002500 /nfs/dbraw/zinc/00/25/00/385002500.db2.gz QIZHPEDQUPDZNR-UMSGYPCISA-N 1 3 244.379 0.702 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000226398437 385006247 /nfs/dbraw/zinc/00/62/47/385006247.db2.gz GMFQYOXQIFXQJW-KOLCDFICSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000226398437 385006257 /nfs/dbraw/zinc/00/62/57/385006257.db2.gz GMFQYOXQIFXQJW-KOLCDFICSA-N 1 3 227.352 0.569 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226741916 385047757 /nfs/dbraw/zinc/04/77/57/385047757.db2.gz ZQZRPYIDITVDRC-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037485369 385055540 /nfs/dbraw/zinc/05/55/40/385055540.db2.gz NYGZQEJURMCWQC-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037485369 385055548 /nfs/dbraw/zinc/05/55/48/385055548.db2.gz NYGZQEJURMCWQC-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN(C)CCOC ZINC000449118895 385061679 /nfs/dbraw/zinc/06/16/79/385061679.db2.gz ZWWDUXAILSSDPU-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CNCCC1(F)F ZINC000647640673 385069177 /nfs/dbraw/zinc/06/91/77/385069177.db2.gz YBYITBLRIMAYRR-IUCAKERBSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCCN1 ZINC000364162863 385080873 /nfs/dbraw/zinc/08/08/73/385080873.db2.gz VGUYDSHWTSAETN-YPMHNXCESA-N 1 3 239.363 0.777 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000310411380 385044282 /nfs/dbraw/zinc/04/42/82/385044282.db2.gz WUWOIVASYZMEOW-IUCAKERBSA-N 1 3 249.305 0.522 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[C@H]1[NH3+] ZINC000647005504 385141400 /nfs/dbraw/zinc/14/14/00/385141400.db2.gz AXSDTHJKXVMPIU-YUSALJHKSA-N 1 3 239.363 0.700 20 0 BCADHO NC(C(=O)N[C@@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000646984991 385112079 /nfs/dbraw/zinc/11/20/79/385112079.db2.gz IBMXJMGUFATQGG-RNFRBKRXSA-N 1 3 239.241 0.134 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000566246841 385141941 /nfs/dbraw/zinc/14/19/41/385141941.db2.gz GSCKEXYBAOFWQD-NAKRPEOUSA-N 1 3 227.352 0.556 20 0 BCADHO [NH3+]C[C@@H](C(=O)N1CCCNCC1)c1ccccc1 ZINC000061611355 385125153 /nfs/dbraw/zinc/12/51/53/385125153.db2.gz QCYAKTFJGJMACG-CYBMUJFWSA-N 1 3 247.342 0.551 20 0 BCADHO OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177843761 385126181 /nfs/dbraw/zinc/12/61/81/385126181.db2.gz OOYVBNIOMJIZNO-UHFFFAOYSA-N 1 3 242.363 0.556 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646998187 385132726 /nfs/dbraw/zinc/13/27/26/385132726.db2.gz UIMYXVDWPUCYOF-LPEHRKFASA-N 1 3 225.336 0.371 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@H]1[NH3+] ZINC000647015763 385140303 /nfs/dbraw/zinc/14/03/03/385140303.db2.gz ZGLUGEZKZAMJRS-GMTAPVOTSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CC[C@H]1[NH3+] ZINC000647015035 385140645 /nfs/dbraw/zinc/14/06/45/385140645.db2.gz FWPNTEZBARMFRR-GMTAPVOTSA-N 1 3 239.363 0.570 20 0 BCADHO C[N@H+](C[C@H](O)CN1CCC[C@H]1CCO)C1CC1 ZINC000310516333 385102183 /nfs/dbraw/zinc/10/21/83/385102183.db2.gz RSXHCUKIDMLBPL-STQMWFEESA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+](C[C@H](O)CN1CCC[C@H]1CCO)C1CC1 ZINC000310516333 385102188 /nfs/dbraw/zinc/10/21/88/385102188.db2.gz RSXHCUKIDMLBPL-STQMWFEESA-N 1 3 242.363 0.288 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@H]([NH3+])C1(C)C)OC ZINC000404842991 385102910 /nfs/dbraw/zinc/10/29/10/385102910.db2.gz CHRCPQRULVJOPB-LPEHRKFASA-N 1 3 216.325 0.363 20 0 BCADHO COC[C@H](C[NH2+][C@@H]1C[C@H](N)C1(C)C)OC ZINC000404842991 385102917 /nfs/dbraw/zinc/10/29/17/385102917.db2.gz CHRCPQRULVJOPB-LPEHRKFASA-N 1 3 216.325 0.363 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCn1cccn1 ZINC000404855752 385107633 /nfs/dbraw/zinc/10/76/33/385107633.db2.gz SDMKFSHHPGKPAX-ZJUUUORDSA-N 1 3 208.309 0.599 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCn1cccn1 ZINC000404855752 385107640 /nfs/dbraw/zinc/10/76/40/385107640.db2.gz SDMKFSHHPGKPAX-ZJUUUORDSA-N 1 3 208.309 0.599 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000647051334 385186916 /nfs/dbraw/zinc/18/69/16/385186916.db2.gz QFPRCKALUFIWJN-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO CN(C[C@H](O)C[NH3+])C[C@@H]1CCC(F)(F)C1 ZINC000308820447 385192312 /nfs/dbraw/zinc/19/23/12/385192312.db2.gz BUCSCEMCEOFQOY-RKDXNWHRSA-N 1 3 222.279 0.673 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000647020796 385149411 /nfs/dbraw/zinc/14/94/11/385149411.db2.gz MVPATAPCZLIGKR-KOLCDFICSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000647023221 385155838 /nfs/dbraw/zinc/15/58/38/385155838.db2.gz SVFYOBSCTHZREP-GXSJLCMTSA-N 1 3 221.304 0.192 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000647022841 385155982 /nfs/dbraw/zinc/15/59/82/385155982.db2.gz HXVAJJKTSYGZFU-KWQFWETISA-N 1 3 239.294 0.331 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000449482619 385156507 /nfs/dbraw/zinc/15/65/07/385156507.db2.gz ZAONBEQBARQUCE-VHSXEESVSA-N 1 3 225.336 0.385 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647035682 385168993 /nfs/dbraw/zinc/16/89/93/385168993.db2.gz ZXASYNXMKYIEPD-QWRGUYRKSA-N 1 3 245.342 0.487 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000157401266 385172408 /nfs/dbraw/zinc/17/24/08/385172408.db2.gz GSPXXSMGUOXOFC-GMTAPVOTSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)N ZINC000157401266 385172414 /nfs/dbraw/zinc/17/24/14/385172414.db2.gz GSPXXSMGUOXOFC-GMTAPVOTSA-N 1 3 225.336 0.419 20 0 BCADHO c1c([C@H]2CCC[NH2+]C2)nnn1CCN1CCCC1 ZINC000404916180 385173571 /nfs/dbraw/zinc/17/35/71/385173571.db2.gz GUESSQNBWHXYHM-LBPRGKRZSA-N 1 3 249.362 0.841 20 0 BCADHO CN1CCC(O)(C[NH2+][C@H]2CCSC2)CC1 ZINC000308847029 385208451 /nfs/dbraw/zinc/20/84/51/385208451.db2.gz ALRCBLJMNGGXRJ-JTQLQIEISA-N 1 3 230.377 0.538 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072050 385218801 /nfs/dbraw/zinc/21/88/01/385218801.db2.gz YTQYEQHRIXOYBW-RNFRBKRXSA-N 1 3 235.278 0.083 20 0 BCADHO CCOCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164662200 385222773 /nfs/dbraw/zinc/22/27/73/385222773.db2.gz FTNAENCCEWSWIA-GHMZBOCLSA-N 1 3 200.326 0.940 20 0 BCADHO C[C@@H]1CCN(CCn2cccn2)C[C@@H]1C[NH3+] ZINC000164647882 385224924 /nfs/dbraw/zinc/22/49/24/385224924.db2.gz PAECRHUXAXVWOQ-NEPJUHHUSA-N 1 3 222.336 0.800 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336390498 385225136 /nfs/dbraw/zinc/22/51/36/385225136.db2.gz JOMWHEBWVCBKCA-GFCCVEGCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC(F)F)[NH+](C)C ZINC000308872357 385228062 /nfs/dbraw/zinc/22/80/62/385228062.db2.gz ZMOVRQJEMOZNLF-RNFRBKRXSA-N 1 3 223.267 0.035 20 0 BCADHO [NH3+]CC1(CC(=O)N[C@H]2CNCCC2(F)F)CC1 ZINC000647075764 385229635 /nfs/dbraw/zinc/22/96/35/385229635.db2.gz HDMKSVQMLJCXJU-QMMMGPOBSA-N 1 3 247.289 0.229 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374237 385232698 /nfs/dbraw/zinc/23/26/98/385232698.db2.gz IVKLSXFBVQASSL-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CNCCC1(F)F ZINC000647076287 385235714 /nfs/dbraw/zinc/23/57/14/385235714.db2.gz HQMDMCNIDYUHFX-QMMMGPOBSA-N 1 3 235.278 0.099 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000647084086 385245445 /nfs/dbraw/zinc/24/54/45/385245445.db2.gz FLIXCWQLVYEUAO-SECBINFHSA-N 1 3 225.336 0.195 20 0 BCADHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000227811197 385248208 /nfs/dbraw/zinc/24/82/08/385248208.db2.gz XBJDOLQEDCXNHU-IJLUTSLNSA-N 1 3 237.347 0.420 20 0 BCADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1(N)CC1 ZINC000237031494 385253014 /nfs/dbraw/zinc/25/30/14/385253014.db2.gz SYUQBVVIFZDXEF-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)C1(N)CC1 ZINC000237031494 385253018 /nfs/dbraw/zinc/25/30/18/385253018.db2.gz SYUQBVVIFZDXEF-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CCC[C@H](C)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000308957625 385324076 /nfs/dbraw/zinc/32/40/76/385324076.db2.gz XXSACYMKEGZAGW-DCAQKATOSA-N 1 3 200.326 0.593 20 0 BCADHO CCC[C@H](C)C[NH2+]C[C@H]1CNC[C@@H]1O ZINC000308957625 385324079 /nfs/dbraw/zinc/32/40/79/385324079.db2.gz XXSACYMKEGZAGW-DCAQKATOSA-N 1 3 200.326 0.593 20 0 BCADHO C[C@@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000157931910 385314854 /nfs/dbraw/zinc/31/48/54/385314854.db2.gz AONHIQURNNQCSN-KPPDAEKUSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000131206122 385318319 /nfs/dbraw/zinc/31/83/19/385318319.db2.gz ZKKALDHEBSCLAA-MWLCHTKSSA-N 1 3 229.299 0.028 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095506 385267109 /nfs/dbraw/zinc/26/71/09/385267109.db2.gz KJSOWJVFOCHWEZ-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CN1CCC(O)(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000344575778 385287084 /nfs/dbraw/zinc/28/70/84/385287084.db2.gz CAOOMKVBZHLABT-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@H+](CCn2cncn2)[C@H]1C ZINC000316800866 385329877 /nfs/dbraw/zinc/32/98/77/385329877.db2.gz HFOTYJRANAIMCP-GRYCIOLGSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@@H+](CCn2cncn2)[C@H]1C ZINC000316800866 385329883 /nfs/dbraw/zinc/32/98/83/385329883.db2.gz HFOTYJRANAIMCP-GRYCIOLGSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165016958 385339021 /nfs/dbraw/zinc/33/90/21/385339021.db2.gz GMCPABWEOTXCMX-GRYCIOLGSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165016958 385339023 /nfs/dbraw/zinc/33/90/23/385339023.db2.gz GMCPABWEOTXCMX-GRYCIOLGSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC1CCN(C)CC1 ZINC000165101569 385349424 /nfs/dbraw/zinc/34/94/24/385349424.db2.gz XQYGFVYQCUFAHS-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H](N)CC(F)F ZINC000309032027 385380433 /nfs/dbraw/zinc/38/04/33/385380433.db2.gz CIPXREUKCIRUCV-SSDOTTSWSA-N 1 3 223.267 0.037 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644080412 385424874 /nfs/dbraw/zinc/42/48/74/385424874.db2.gz MEXZVDQULNMGTK-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO C[N@H+](CCc1cn[nH]c1)CC(C)(C)CN ZINC000309098432 385407384 /nfs/dbraw/zinc/40/73/84/385407384.db2.gz HUHYAPOJTLRTSO-UHFFFAOYSA-N 1 3 210.325 0.869 20 0 BCADHO C[N@@H+](CCc1cn[nH]c1)CC(C)(C)CN ZINC000309098432 385407385 /nfs/dbraw/zinc/40/73/85/385407385.db2.gz HUHYAPOJTLRTSO-UHFFFAOYSA-N 1 3 210.325 0.869 20 0 BCADHO CN(C(=O)[C@H]1CNCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000644086013 385432683 /nfs/dbraw/zinc/43/26/83/385432683.db2.gz GKSLKCJWGUJUBR-RKDXNWHRSA-N 1 3 247.289 0.052 20 0 BCADHO O=C(C[NH2+]C1CC1)Nc1cnc2c(c1)CNCC2 ZINC000644102353 385472268 /nfs/dbraw/zinc/47/22/68/385472268.db2.gz GLBOVXQLSPGGRF-UHFFFAOYSA-N 1 3 246.314 0.418 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1NCC1(C)C ZINC000644100469 385474455 /nfs/dbraw/zinc/47/44/55/385474455.db2.gz DYHYHBXCTMLORP-UTLUCORTSA-N 1 3 225.336 0.180 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000518767610 385475927 /nfs/dbraw/zinc/47/59/27/385475927.db2.gz RVOHRRKZIIIBPE-NXEZZACHSA-N 1 3 245.392 0.183 20 0 BCADHO CCC[C@](C)(N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000364561433 385477490 /nfs/dbraw/zinc/47/74/90/385477490.db2.gz NWFYHTHLJNSLMM-NOHGZBONSA-N 1 3 239.363 0.985 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000644104180 385477919 /nfs/dbraw/zinc/47/79/19/385477919.db2.gz LHFLCOTZHIOGAS-GUBZILKMSA-N 1 3 225.336 0.180 20 0 BCADHO CN(CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC1 ZINC000364599229 385479092 /nfs/dbraw/zinc/47/90/92/385479092.db2.gz KRRHFKJQYFCHDR-DGCLKSJQSA-N 1 3 237.347 0.196 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)NCC1C[NH2+]C1 ZINC000644104953 385480005 /nfs/dbraw/zinc/48/00/05/385480005.db2.gz LETKWSTXLGZXIT-GFCCVEGCSA-N 1 3 239.363 0.620 20 0 BCADHO CC[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCOC1 ZINC000336724969 385497929 /nfs/dbraw/zinc/49/79/29/385497929.db2.gz ZSKJWPFLINUVSH-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCc1cn[nH]c1 ZINC000405345653 385507663 /nfs/dbraw/zinc/50/76/63/385507663.db2.gz GIMSMPSWNVWMQG-NXEZZACHSA-N 1 3 208.309 0.668 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)[C@@H](C)[NH3+] ZINC000644142295 385525826 /nfs/dbraw/zinc/52/58/26/385525826.db2.gz MGMLNMPBVYQWDC-RCWTZXSCSA-N 1 3 245.342 0.422 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364991153 385557218 /nfs/dbraw/zinc/55/72/18/385557218.db2.gz YFSZXVXATLVWDQ-UTUOFQBUSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364991153 385557221 /nfs/dbraw/zinc/55/72/21/385557221.db2.gz YFSZXVXATLVWDQ-UTUOFQBUSA-N 1 3 239.363 0.522 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000054075662 385595233 /nfs/dbraw/zinc/59/52/33/385595233.db2.gz JCDGMDQPTJSIOV-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000211696374 385596032 /nfs/dbraw/zinc/59/60/32/385596032.db2.gz KCGIYIVTOJXTEM-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000211696374 385596035 /nfs/dbraw/zinc/59/60/35/385596035.db2.gz KCGIYIVTOJXTEM-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000309452828 385585754 /nfs/dbraw/zinc/58/57/54/385585754.db2.gz MXELHUSMXKWFBS-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCn2cccn2)C1 ZINC000082651673 385627077 /nfs/dbraw/zinc/62/70/77/385627077.db2.gz XRGJNIPRTRWWDF-VXGBXAGGSA-N 1 3 222.336 0.942 20 0 BCADHO C[N@H+](CCCN1CCCCC1)CCOCCO ZINC000337496446 385685167 /nfs/dbraw/zinc/68/51/67/385685167.db2.gz RSBCEXFOXSZTBM-UHFFFAOYSA-N 1 3 244.379 0.803 20 0 BCADHO C[N@@H+](CCCN1CCCCC1)CCOCCO ZINC000337496446 385685172 /nfs/dbraw/zinc/68/51/72/385685172.db2.gz RSBCEXFOXSZTBM-UHFFFAOYSA-N 1 3 244.379 0.803 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645263121 385701038 /nfs/dbraw/zinc/70/10/38/385701038.db2.gz HPPNRUWMQZLXNJ-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CC(N)=O)NCC[NH+]1CCCCCC1 ZINC000309525007 385667764 /nfs/dbraw/zinc/66/77/64/385667764.db2.gz CLULEUUJTMNRJX-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](CC(N)=O)NCC[NH+]1CCCCCC1 ZINC000309525006 385667830 /nfs/dbraw/zinc/66/78/30/385667830.db2.gz CLULEUUJTMNRJX-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CN1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000643216742 385668721 /nfs/dbraw/zinc/66/87/21/385668721.db2.gz XRJWKBZGQPSPEY-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@H](COC)[NH2+][C@@H]1CCNC[C@H]1C ZINC000336698696 385753036 /nfs/dbraw/zinc/75/30/36/385753036.db2.gz VPJHSRHUTJWNFK-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@H](COC)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000336698696 385753040 /nfs/dbraw/zinc/75/30/40/385753040.db2.gz VPJHSRHUTJWNFK-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)NC ZINC000309629787 385753186 /nfs/dbraw/zinc/75/31/86/385753186.db2.gz HLPKQPULZKLQFO-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)NC ZINC000309629787 385753189 /nfs/dbraw/zinc/75/31/89/385753189.db2.gz HLPKQPULZKLQFO-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H](C)C[NH2+]C ZINC000336737514 385799328 /nfs/dbraw/zinc/79/93/28/385799328.db2.gz JLTXTQWQYLWFKX-KOLCDFICSA-N 1 3 215.341 0.476 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186899014 385811835 /nfs/dbraw/zinc/81/18/35/385811835.db2.gz JILBOESVBQFCOV-BBBLOLIVSA-N 1 3 213.325 0.084 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000262439668 385844975 /nfs/dbraw/zinc/84/49/75/385844975.db2.gz AMADGMSRLJEWGB-JBLDHEPKSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@@H](C(=O)NC[C@H](N)c1ccccc1)[C@H](C)[NH3+] ZINC000262439676 385846289 /nfs/dbraw/zinc/84/62/89/385846289.db2.gz AMADGMSRLJEWGB-SCVCMEIPSA-N 1 3 235.331 0.786 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000294733967 385889178 /nfs/dbraw/zinc/88/91/78/385889178.db2.gz JDLLKSHZFLITMF-QWHCGFSZSA-N 1 3 247.342 0.549 20 0 BCADHO C[C@@H](CC[NH3+])NCc1ccc2c(c1)nnn2C ZINC000414876888 385915995 /nfs/dbraw/zinc/91/59/95/385915995.db2.gz FEJLQWMQAWASME-VIFPVBQESA-N 1 3 233.319 0.795 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000338189862 385917570 /nfs/dbraw/zinc/91/75/70/385917570.db2.gz HMLSWCODBZDXEM-UWVGGRQHSA-N 1 3 215.341 0.393 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236837911 259678217 /nfs/dbraw/zinc/67/82/17/259678217.db2.gz LCJAWMORPOJUOW-LLVKDONJSA-N 1 3 227.352 0.526 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000647816978 385871019 /nfs/dbraw/zinc/87/10/19/385871019.db2.gz TWMLEGSDEBGMII-RHYQMDGZSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)[C@H]1C[NH3+] ZINC000647820963 385871418 /nfs/dbraw/zinc/87/14/18/385871418.db2.gz XAZYLVBLUCBTEF-HLTSFMKQSA-N 1 3 249.305 0.555 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H](C[NH3+])C1 ZINC000647830517 385872863 /nfs/dbraw/zinc/87/28/63/385872863.db2.gz NBWYHVCQDGGOQT-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000647828192 385876411 /nfs/dbraw/zinc/87/64/11/385876411.db2.gz GDZLOGRYCUSSOS-OIBJUYFYSA-N 1 3 237.294 0.459 20 0 BCADHO c1cncc(CNCCC[NH2+][C@@H]2CCCNC2)c1 ZINC000414881391 385991016 /nfs/dbraw/zinc/99/10/16/385991016.db2.gz RGCATVVHDSEPCG-CQSZACIVSA-N 1 3 248.374 0.903 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)NCC1([NH3+])CCCCCC1 ZINC000335040552 385933881 /nfs/dbraw/zinc/93/38/81/385933881.db2.gz XYFAMSRIZMZWBU-VHSXEESVSA-N 1 3 225.336 0.502 20 0 BCADHO N[C@@H](CC(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000263226070 385959715 /nfs/dbraw/zinc/95/97/15/385959715.db2.gz CFWRVUHBXLWIDB-STQMWFEESA-N 1 3 247.342 0.930 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335059954 385961785 /nfs/dbraw/zinc/96/17/85/385961785.db2.gz GASDDPRONFLTRX-JQWIXIFHSA-N 1 3 247.342 0.759 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000295267817 386002877 /nfs/dbraw/zinc/00/28/77/386002877.db2.gz RVJZAKVSSCEXPX-NEPJUHHUSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@H]1CNCCN1C ZINC000414976084 386014997 /nfs/dbraw/zinc/01/49/97/386014997.db2.gz NJNYYCCDTHKHHK-FRRDWIJNSA-N 1 3 240.395 0.010 20 0 BCADHO CCN(C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000054133244 386111112 /nfs/dbraw/zinc/11/11/12/386111112.db2.gz VHIFFNYGPWYBLJ-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)CCC[NH3+])C1 ZINC000335064437 386074493 /nfs/dbraw/zinc/07/44/93/386074493.db2.gz YKQHWKFXJYTNNK-NSHDSACASA-N 1 3 233.315 0.642 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H](CCO)COC)[C@H](C)C1 ZINC000345238539 386076242 /nfs/dbraw/zinc/07/62/42/386076242.db2.gz IMPGKHGOHPWNSX-UPJWGTAASA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H](CCO)COC)[C@H](C)C1 ZINC000345238539 386076248 /nfs/dbraw/zinc/07/62/48/386076248.db2.gz IMPGKHGOHPWNSX-UPJWGTAASA-N 1 3 244.379 0.704 20 0 BCADHO Cc1nccn1CC[N@H+]1CCN(C)C[C@H]1C ZINC000334451041 386090216 /nfs/dbraw/zinc/09/02/16/386090216.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CC[N@@H+]1CCN(C)C[C@H]1C ZINC000334451041 386090223 /nfs/dbraw/zinc/09/02/23/386090223.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@@H+](C)C[C@H]1C ZINC000334451041 386090229 /nfs/dbraw/zinc/09/02/29/386090229.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO Cc1nccn1CCN1CC[N@H+](C)C[C@H]1C ZINC000334451041 386090234 /nfs/dbraw/zinc/09/02/34/386090234.db2.gz UOFFRXHVJHRLKX-LLVKDONJSA-N 1 3 222.336 0.827 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673133 386144513 /nfs/dbraw/zinc/14/45/13/386144513.db2.gz QHLRRBONSZGRNA-ZJUUUORDSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673133 386144518 /nfs/dbraw/zinc/14/45/18/386144518.db2.gz QHLRRBONSZGRNA-ZJUUUORDSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)NC(=O)CN(C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414673077 386145421 /nfs/dbraw/zinc/14/54/21/386145421.db2.gz BNJDDEFOPREFMX-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)[C@@H](C)CN1 ZINC000335157080 386150959 /nfs/dbraw/zinc/15/09/59/386150959.db2.gz PPNLYLKZBONPDL-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO COC(=O)C[C@@H]1CCCN1CCC[NH3+] ZINC000414693855 386190512 /nfs/dbraw/zinc/19/05/12/386190512.db2.gz FLQYNEUBTOQCOP-VIFPVBQESA-N 1 3 200.282 0.363 20 0 BCADHO C[C@H]1C[C@@H](CN(C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681952 386167746 /nfs/dbraw/zinc/16/77/46/386167746.db2.gz QELOQRSUYHVZFS-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC000346225332 386176779 /nfs/dbraw/zinc/17/67/79/386176779.db2.gz OGOYGEIGJTVGTN-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO COc1ccc2c(c1)[C@H](N)CCN2C(=O)CC[NH3+] ZINC000365492630 386129997 /nfs/dbraw/zinc/12/99/97/386129997.db2.gz NGFXOZVHSSCNOP-LLVKDONJSA-N 1 3 249.314 0.781 20 0 BCADHO CC(C)C[C@H]([NH3+])CN[C@H]1CNCCC1(F)F ZINC000414998413 386200766 /nfs/dbraw/zinc/20/07/66/386200766.db2.gz IZANJZWUYRDNFI-UWVGGRQHSA-N 1 3 235.322 0.947 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000131761892 386222104 /nfs/dbraw/zinc/22/21/04/386222104.db2.gz PXDAWYOGMIMZEK-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H]1SCCN(CCN2CC[NH2+]CC2)[C@H]1C ZINC000132419598 386234431 /nfs/dbraw/zinc/23/44/31/386234431.db2.gz VRNGDZONYRYKGI-RYUDHWBXSA-N 1 3 243.420 0.717 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@H](CO)C1 ZINC000414696737 386195802 /nfs/dbraw/zinc/19/58/02/386195802.db2.gz QFJXZLQQGGPFJG-QWRGUYRKSA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CC[C@H](CO)C1 ZINC000414696737 386195806 /nfs/dbraw/zinc/19/58/06/386195806.db2.gz QFJXZLQQGGPFJG-QWRGUYRKSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]1CNCCN1C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000335263414 386292009 /nfs/dbraw/zinc/29/20/09/386292009.db2.gz HTTZAHPCMUCLOR-SNVBAGLBSA-N 1 3 245.326 0.724 20 0 BCADHO O=C(C1C[NH2+]C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000091411430 386297983 /nfs/dbraw/zinc/29/79/83/386297983.db2.gz LSRMXYUDKNTEDI-GFCCVEGCSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@H](CNC(=O)NCCC[NH3+])N(C)C1CC1 ZINC000417538070 386300390 /nfs/dbraw/zinc/30/03/90/386300390.db2.gz DAQZUNMVSWSOLW-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCCN(CC)CC1 ZINC000331939157 386306763 /nfs/dbraw/zinc/30/67/63/386306763.db2.gz IFYBBNNQMNMZGZ-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1[C@@H](CO)CC[C@@H]1CO ZINC000347282428 386318464 /nfs/dbraw/zinc/31/84/64/386318464.db2.gz AXNCCSSEMFQACG-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1[C@@H](CO)CC[C@@H]1CO ZINC000347282428 386318471 /nfs/dbraw/zinc/31/84/71/386318471.db2.gz AXNCCSSEMFQACG-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003761 386318991 /nfs/dbraw/zinc/31/89/91/386318991.db2.gz LFPWFBTZUGEKSG-GRYCIOLGSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003761 386318999 /nfs/dbraw/zinc/31/89/99/386318999.db2.gz LFPWFBTZUGEKSG-GRYCIOLGSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CC1)N(C)C ZINC000416299048 386264667 /nfs/dbraw/zinc/26/46/67/386264667.db2.gz FFFRQLGJHBKXHU-NSHDSACASA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)N(C)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416304074 386266068 /nfs/dbraw/zinc/26/60/68/386266068.db2.gz SYJIHDMIQNDVKG-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](O)C[N@H+](CCO)CC[C@@H]1CCCN1C ZINC000336656820 386274056 /nfs/dbraw/zinc/27/40/56/386274056.db2.gz LRFJWBBAKVPQSA-RYUDHWBXSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@H](O)C[N@@H+](CCO)CC[C@@H]1CCCN1C ZINC000336656820 386274057 /nfs/dbraw/zinc/27/40/57/386274057.db2.gz LRFJWBBAKVPQSA-RYUDHWBXSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@@H](CNC(=O)N(C)CC[NH3+])N(C)C1CC1 ZINC000417548526 386352157 /nfs/dbraw/zinc/35/21/57/386352157.db2.gz IHPJOOYCKMTNHS-VIFPVBQESA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H](CNC(=O)NCC[C@H](C)[NH3+])N(C)C1CC1 ZINC000417552639 386358054 /nfs/dbraw/zinc/35/80/54/386358054.db2.gz RPPLYROXRBRKPY-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](NC(=O)NC[C@H](C)N(C)C1CC1)[C@H](C)[NH3+] ZINC000417554557 386362687 /nfs/dbraw/zinc/36/26/87/386362687.db2.gz WITVKXQTRBXAGT-LPEHRKFASA-N 1 3 242.367 0.504 20 0 BCADHO C[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])N(C)C1CC1 ZINC000417554558 386362774 /nfs/dbraw/zinc/36/27/74/386362774.db2.gz WITVKXQTRBXAGT-UTLUCORTSA-N 1 3 242.367 0.504 20 0 BCADHO NC(=O)C[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890090 386366808 /nfs/dbraw/zinc/36/68/08/386366808.db2.gz PJYUTMWPUIFELU-MNOVXSKESA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H](N)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335274546 386331207 /nfs/dbraw/zinc/33/12/07/386331207.db2.gz BJRPGDHDBUETKV-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO Cc1ccc(NC(=O)CN)c(CN(C)C)c1 ZINC000237036672 386338184 /nfs/dbraw/zinc/33/81/84/386338184.db2.gz AITWNQSBXYSNNH-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO Cc1ccc(NC(=O)CN)c(C[NH+](C)C)c1 ZINC000237036672 386338190 /nfs/dbraw/zinc/33/81/90/386338190.db2.gz AITWNQSBXYSNNH-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CCc2c[nH]nn2)C1 ZINC000647970926 386442293 /nfs/dbraw/zinc/44/22/93/386442293.db2.gz LTNKJZOTHLZYFW-JTQLQIEISA-N 1 3 223.324 0.231 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000414755369 386394488 /nfs/dbraw/zinc/39/44/88/386394488.db2.gz HKMTWVRHUNSPQD-OUAUKWLOSA-N 1 3 200.326 0.815 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000414755369 386394490 /nfs/dbraw/zinc/39/44/90/386394490.db2.gz HKMTWVRHUNSPQD-OUAUKWLOSA-N 1 3 200.326 0.815 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)NCC[NH2+]C ZINC000417591625 386416446 /nfs/dbraw/zinc/41/64/46/386416446.db2.gz XHIDJLFYXXKCQX-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO N[C@@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237896945 386421332 /nfs/dbraw/zinc/42/13/32/386421332.db2.gz VODCEYRTSYGTJG-OLZOCXBDSA-N 1 3 247.342 0.945 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000211701217 386430699 /nfs/dbraw/zinc/43/06/99/386430699.db2.gz AWKZFUDBIYSRKO-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CN(CCNC(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000417604105 386432721 /nfs/dbraw/zinc/43/27/21/386432721.db2.gz ATHOZHBQLCJDQO-NSHDSACASA-N 1 3 240.351 0.117 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000417284975 386472996 /nfs/dbraw/zinc/47/29/96/386472996.db2.gz KUNOOZNLAPPUAP-GHMZBOCLSA-N 1 3 242.367 0.363 20 0 BCADHO CN(C(=O)[C@]1(C)CC[NH2+]C1)C1CCN(C)CC1 ZINC000062889024 386528662 /nfs/dbraw/zinc/52/86/62/386528662.db2.gz PPSQZIKLUKXKLW-CYBMUJFWSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCOCC1CC1)CCN1CC[NH2+]CC1 ZINC000094989543 386474395 /nfs/dbraw/zinc/47/43/95/386474395.db2.gz FZWVJZPDUATJLZ-UHFFFAOYSA-N 1 3 241.379 0.250 20 0 BCADHO C[C@@H](CNC(=O)NCC[NH3+])N1CCC(C)CC1 ZINC000417316943 386482715 /nfs/dbraw/zinc/48/27/15/386482715.db2.gz VHRAOFFFERFVCC-NSHDSACASA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](CNC(=O)NCC[NH3+])N1CCC(C)CC1 ZINC000417316942 386483429 /nfs/dbraw/zinc/48/34/29/386483429.db2.gz VHRAOFFFERFVCC-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO C[NH2+]CC(=O)N1CCc2ccccc2[C@H]1CN ZINC000335428599 386484023 /nfs/dbraw/zinc/48/40/23/386484023.db2.gz ISNHTUCEFWJHIG-GFCCVEGCSA-N 1 3 233.315 0.291 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000335435548 386494583 /nfs/dbraw/zinc/49/45/83/386494583.db2.gz UECSLNILOMBOTN-NXEZZACHSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113080 386502058 /nfs/dbraw/zinc/50/20/58/386502058.db2.gz ANLZIXNSLIBXMF-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335441584 386502102 /nfs/dbraw/zinc/50/21/02/386502102.db2.gz DSAAPXPZEWXLSL-GHMZBOCLSA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113122 386502606 /nfs/dbraw/zinc/50/26/06/386502606.db2.gz MWPBPHAZQDQRBD-VXGBXAGGSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@@H](CC1CCOCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415037793 386524427 /nfs/dbraw/zinc/52/44/27/386524427.db2.gz NIHQVGGMRIARPQ-FTYKPCCVSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000336755061 386527785 /nfs/dbraw/zinc/52/77/85/386527785.db2.gz XIUDMTXVXCPLBG-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]C[C@H](C)CN1CCCC1 ZINC000336755061 386527787 /nfs/dbraw/zinc/52/77/87/386527787.db2.gz XIUDMTXVXCPLBG-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000204154491 386455779 /nfs/dbraw/zinc/45/57/79/386455779.db2.gz UJMISRFJRVADQM-MWLCHTKSSA-N 1 3 221.304 0.020 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000094648199 386464994 /nfs/dbraw/zinc/46/49/94/386464994.db2.gz ZWOSTHOBJLBCMI-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CN(CC[NH2+][C@H]2CCCNC2)CCO1 ZINC000415077359 386576550 /nfs/dbraw/zinc/57/65/50/386576550.db2.gz DVFDTCAGSWMESJ-LBPRGKRZSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000335414127 386580230 /nfs/dbraw/zinc/58/02/30/386580230.db2.gz MVDOAXCUFMXYCS-NXEZZACHSA-N 1 3 228.340 0.069 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000647779787 386583577 /nfs/dbraw/zinc/58/35/77/386583577.db2.gz QZAFMLNPGAEUSZ-WOPDTQHZSA-N 1 3 239.363 0.442 20 0 BCADHO CCN1CCCC[C@@H]1CN[C@H]1CC[NH2+]C1 ZINC000415081780 386598799 /nfs/dbraw/zinc/59/87/99/386598799.db2.gz NLBICQBYPBNGLB-NWDGAFQWSA-N 1 3 211.353 0.812 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124003641 386593053 /nfs/dbraw/zinc/59/30/53/386593053.db2.gz QTGJJULPJBMTDG-QWHCGFSZSA-N 1 3 247.342 0.425 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417675168 386531044 /nfs/dbraw/zinc/53/10/44/386531044.db2.gz BHOMDPFKEPBHIS-VHSXEESVSA-N 1 3 240.351 0.260 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000062972669 386534901 /nfs/dbraw/zinc/53/49/01/386534901.db2.gz KLHBXSRYUHKBSO-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973561 386534937 /nfs/dbraw/zinc/53/49/37/386534937.db2.gz HVARXZHIGQUUED-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262635498 386539672 /nfs/dbraw/zinc/53/96/72/386539672.db2.gz HFQKJMFNCBEQRD-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335463364 386547376 /nfs/dbraw/zinc/54/73/76/386547376.db2.gz FCHBLJUONCBMGR-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CO[C@H](CN)C(=O)NCC1([NH3+])CCCCCC1 ZINC000353189940 386557194 /nfs/dbraw/zinc/55/71/94/386557194.db2.gz NYTKOSWCCNYOJI-SNVBAGLBSA-N 1 3 243.351 0.128 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000519812615 386559923 /nfs/dbraw/zinc/55/99/23/386559923.db2.gz KYJSWRBBUJUQSE-WCQYABFASA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](CN[C@@H]1CCO[C@H]1C)C[NH+](C)C ZINC000308575050 386560480 /nfs/dbraw/zinc/56/04/80/386560480.db2.gz MCWOREXRKRJMNR-OUAUKWLOSA-N 1 3 200.326 0.951 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N(C)C1CC([NH3+])C1 ZINC000332064753 386563742 /nfs/dbraw/zinc/56/37/42/386563742.db2.gz RFEKOLLCINLDFM-IDKOKCKLSA-N 1 3 228.340 0.068 20 0 BCADHO CN(CCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CC1 ZINC000136205441 386569950 /nfs/dbraw/zinc/56/99/50/386569950.db2.gz ZFTCZEDJGNXLOT-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000335409909 386572155 /nfs/dbraw/zinc/57/21/55/386572155.db2.gz QXTONCVAHVEWNB-VXGBXAGGSA-N 1 3 237.347 0.245 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000335409909 386572158 /nfs/dbraw/zinc/57/21/58/386572158.db2.gz QXTONCVAHVEWNB-VXGBXAGGSA-N 1 3 237.347 0.245 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000335409109 386572277 /nfs/dbraw/zinc/57/22/77/386572277.db2.gz AGIYBSIJDNYJQR-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C1(C)C[NH2+]C1 ZINC000335497321 386621078 /nfs/dbraw/zinc/62/10/78/386621078.db2.gz UZZWEBXSQDIWKV-LLVKDONJSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC2)C1)[C@H](C)[NH3+] ZINC000493966381 533180522 /nfs/dbraw/zinc/18/05/22/533180522.db2.gz AGQBAYFGQSUNOF-JFGNBEQYSA-N 1 3 239.363 0.665 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000335513086 386649253 /nfs/dbraw/zinc/64/92/53/386649253.db2.gz VQMSLDCRNPMFAL-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO COC(=O)c1ccc(C[NH2+][C@H](CN)C2CC2)[nH]1 ZINC000414803756 386601046 /nfs/dbraw/zinc/60/10/46/386601046.db2.gz NZGFAVKMZRAGNS-LLVKDONJSA-N 1 3 237.303 0.628 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366496871 386602239 /nfs/dbraw/zinc/60/22/39/386602239.db2.gz KURLBDPVAZLQPB-SDDRHHMPSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CCC[NH2+]1 ZINC000335496063 386617930 /nfs/dbraw/zinc/61/79/30/386617930.db2.gz QAZCSKBBGIQIKB-LBPRGKRZSA-N 1 3 231.299 0.980 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000120178692 386663357 /nfs/dbraw/zinc/66/33/57/386663357.db2.gz OCMQGSDZOOEWCP-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)N1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000335522584 386663742 /nfs/dbraw/zinc/66/37/42/386663742.db2.gz YONDDPAJULVSLD-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO C[NH2+]CCCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000428122906 386664008 /nfs/dbraw/zinc/66/40/08/386664008.db2.gz DBEQHMQBWZQDAE-PHIMTYICSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185060135 386666144 /nfs/dbraw/zinc/66/61/44/386666144.db2.gz IJORVWYXHBXQSA-TUAOUCFPSA-N 1 3 239.363 0.522 20 0 BCADHO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)CN(C)C ZINC000425934033 386671218 /nfs/dbraw/zinc/67/12/18/386671218.db2.gz YSLHEFXSOKKABM-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H](CN[C@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934033 386671223 /nfs/dbraw/zinc/67/12/23/386671223.db2.gz YSLHEFXSOKKABM-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H]1NCCCC1(C)C ZINC000417776709 386710533 /nfs/dbraw/zinc/71/05/33/386710533.db2.gz BGYLSGGILXHIOE-JTQLQIEISA-N 1 3 227.352 0.490 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000335476548 386702140 /nfs/dbraw/zinc/70/21/40/386702140.db2.gz CYRIANXMVJSMDN-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@@H](C)Cn1cccn1 ZINC000414829910 386707020 /nfs/dbraw/zinc/70/70/20/386707020.db2.gz BPSLNFSUEPASFM-MNOVXSKESA-N 1 3 210.325 0.717 20 0 BCADHO [NH3+]CCOCCN1CCC(c2c[nH]cn2)CC1 ZINC000357102945 386716535 /nfs/dbraw/zinc/71/65/35/386716535.db2.gz JKBUZJJBJWZNDD-UHFFFAOYSA-N 1 3 238.335 0.564 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000417786325 386721209 /nfs/dbraw/zinc/72/12/09/386721209.db2.gz QVKDUXQVPAAYFR-VWYCJHECSA-N 1 3 225.336 0.243 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638509540 386746138 /nfs/dbraw/zinc/74/61/38/386746138.db2.gz SRZFATARVMFJQC-JTQLQIEISA-N 1 3 223.320 0.139 20 0 BCADHO C[NH2+]CCCC(=O)N1CCNC(C)(C)C1 ZINC000417831150 386791323 /nfs/dbraw/zinc/79/13/23/386791323.db2.gz KDXXDMVRZVPRGY-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417828297 386791437 /nfs/dbraw/zinc/79/14/37/386791437.db2.gz FCIXKYQTRZQFNM-MDZLAQPJSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417833233 386792991 /nfs/dbraw/zinc/79/29/91/386792991.db2.gz LWYVKVFUQAIRQO-RWMBFGLXSA-N 1 3 247.342 0.596 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417812579 386781541 /nfs/dbraw/zinc/78/15/41/386781541.db2.gz OSCHDGWOUNTBOM-NXEZZACHSA-N 1 3 213.325 0.100 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)CC[NH3+] ZINC000417827070 386783985 /nfs/dbraw/zinc/78/39/85/386783985.db2.gz FFTJFIIPYIBZOQ-GFCCVEGCSA-N 1 3 235.331 0.714 20 0 BCADHO C[C@H]1CCN(C(=O)[C@H]2CCCCN2)C[C@@H]1C[NH3+] ZINC000417827140 386784738 /nfs/dbraw/zinc/78/47/38/386784738.db2.gz CVAPQGDUEUNYCU-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417825843 386785175 /nfs/dbraw/zinc/78/51/75/386785175.db2.gz BOFLDVSNFVJCAN-HNCHTBHHSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@@H](C(=O)N(C)CC[NH3+])[C@H](N)c1ccccc1 ZINC000417825328 386785547 /nfs/dbraw/zinc/78/55/47/386785547.db2.gz BBDFHLIMLSJPTD-PWSUYJOCSA-N 1 3 235.331 0.740 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000417808625 386786459 /nfs/dbraw/zinc/78/64/59/386786459.db2.gz ADQISNLIDYJBOQ-RHYQMDGZSA-N 1 3 239.363 0.631 20 0 BCADHO CC[NH+](CC)CCO[C@H]1CCN(CCO)C1 ZINC000340861227 386789260 /nfs/dbraw/zinc/78/92/60/386789260.db2.gz BYXSDIRJLWOYEA-LBPRGKRZSA-N 1 3 230.352 0.411 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](N)CC(F)F ZINC000336669056 386799372 /nfs/dbraw/zinc/79/93/72/386799372.db2.gz RDJXPFSIEBGVLH-MRVPVSSYSA-N 1 3 237.294 0.427 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000417854423 386802746 /nfs/dbraw/zinc/80/27/46/386802746.db2.gz JWSFPNGCBJQTNN-IVZWLZJFSA-N 1 3 240.351 0.258 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417853329 386803177 /nfs/dbraw/zinc/80/31/77/386803177.db2.gz OVTQZVNOWXCZIB-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@@]1(C)C[NH3+] ZINC000417851385 386803407 /nfs/dbraw/zinc/80/34/07/386803407.db2.gz YLNVSTVITSBXHG-GIPNMCIBSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)NCCC[NH3+])CN1C1CC1 ZINC000417859698 386804330 /nfs/dbraw/zinc/80/43/30/386804330.db2.gz SKEBKSSPYCZGOR-VHSXEESVSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)N(C)C1CC1 ZINC000331470823 386857820 /nfs/dbraw/zinc/85/78/20/386857820.db2.gz MJOLDJPKBULCTI-ZJUUUORDSA-N 1 3 240.351 0.212 20 0 BCADHO CS[C@H]1CC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000425346402 386859028 /nfs/dbraw/zinc/85/90/28/386859028.db2.gz KLZXQBAVCGOLMZ-MNOVXSKESA-N 1 3 244.404 0.927 20 0 BCADHO CS[C@H]1CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000425346403 386859235 /nfs/dbraw/zinc/85/92/35/386859235.db2.gz KLZXQBAVCGOLMZ-QWRGUYRKSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCN(C)C1CC1 ZINC000331496169 386863770 /nfs/dbraw/zinc/86/37/70/386863770.db2.gz QEJAUSARJNTPON-ONGXEEELSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@]1(CN[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000334832301 386869371 /nfs/dbraw/zinc/86/93/71/386869371.db2.gz BTLKUKCESOKSEM-VHSXEESVSA-N 1 3 233.306 0.573 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)N(C)C ZINC000341258021 386869529 /nfs/dbraw/zinc/86/95/29/386869529.db2.gz KTGAYGOQTYOTIG-QWRGUYRKSA-N 1 3 229.368 0.641 20 0 BCADHO C[C@H]1[C@H](NC(=O)N(C)CC[NH3+])CCCN1C ZINC000418009668 386884548 /nfs/dbraw/zinc/88/45/48/386884548.db2.gz UYIWQYBNIRAZBR-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000331746175 386889890 /nfs/dbraw/zinc/88/98/90/386889890.db2.gz DBYOWNLCCYCFLU-GUBZILKMSA-N 1 3 240.351 0.258 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000125904340 386917557 /nfs/dbraw/zinc/91/75/57/386917557.db2.gz BRVBVCCRVRHMHO-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCCNCC1 ZINC000331905868 386924683 /nfs/dbraw/zinc/92/46/83/386924683.db2.gz RZEWAVGKCPWZSL-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO NC1(C(=O)N[C@H](C[NH3+])C2CCCC2)CCC1 ZINC000331966921 386933518 /nfs/dbraw/zinc/93/35/18/386933518.db2.gz LCLRJYDBQIWYBI-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO NC1(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCC1 ZINC000331966918 386933526 /nfs/dbraw/zinc/93/35/26/386933526.db2.gz LCLRJYDBQIWYBI-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO C([NH2+][C@@H]1CCCSC1)[C@@H]1CNCCCO1 ZINC000334873976 386935148 /nfs/dbraw/zinc/93/51/48/386935148.db2.gz MFEYPMOCYDHOFW-MNOVXSKESA-N 1 3 230.377 0.850 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000368261039 386954348 /nfs/dbraw/zinc/95/43/48/386954348.db2.gz AGTILRWZKHFUMX-VLEAKVRGSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H]1NCCN(C(=O)N[C@@H](C[NH3+])C2CC2)[C@H]1C ZINC000332180691 386965930 /nfs/dbraw/zinc/96/59/30/386965930.db2.gz OOTSNDGNANYIII-QXEWZRGKSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368377720 386967542 /nfs/dbraw/zinc/96/75/42/386967542.db2.gz NPANFIGYFYIXEU-VHSXEESVSA-N 1 3 239.363 0.618 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](COC)C1 ZINC000518990832 386975845 /nfs/dbraw/zinc/97/58/45/386975845.db2.gz SONIKZUUODTDRB-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000518990832 386975850 /nfs/dbraw/zinc/97/58/50/386975850.db2.gz SONIKZUUODTDRB-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](COC)C1 ZINC000518990832 386975856 /nfs/dbraw/zinc/97/58/56/386975856.db2.gz SONIKZUUODTDRB-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643906 386998270 /nfs/dbraw/zinc/99/82/70/386998270.db2.gz BPQCYDRJPUNHJE-XFWSIPNHSA-N 1 3 231.315 0.176 20 0 BCADHO C[C@@H]1C[C@H](CN2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821368 386948993 /nfs/dbraw/zinc/94/89/93/386948993.db2.gz YAEHNNJYBUQUKS-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368218982 386949534 /nfs/dbraw/zinc/94/95/34/386949534.db2.gz XWGDDLFKXOUSCG-WDEREUQCSA-N 1 3 239.363 0.618 20 0 BCADHO COC(=O)CCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000116402435 386949860 /nfs/dbraw/zinc/94/98/60/386949860.db2.gz MVRJBRPVGLGUBL-LLVKDONJSA-N 1 3 228.336 0.823 20 0 BCADHO COC(=O)CCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000116402435 386949866 /nfs/dbraw/zinc/94/98/66/386949866.db2.gz MVRJBRPVGLGUBL-LLVKDONJSA-N 1 3 228.336 0.823 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCCC[C@H]1N ZINC000333463044 387037665 /nfs/dbraw/zinc/03/76/65/387037665.db2.gz GXDDRVLYHLVQBV-WUHRBBMRSA-N 1 3 241.379 0.613 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463044 387037667 /nfs/dbraw/zinc/03/76/67/387037667.db2.gz GXDDRVLYHLVQBV-WUHRBBMRSA-N 1 3 241.379 0.613 20 0 BCADHO [NH3+][C@H](C(=O)NCCN1CCCCC1)C1CCC1 ZINC000399007864 387037792 /nfs/dbraw/zinc/03/77/92/387037792.db2.gz ANIBOUNFTSGIAQ-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C1CCC1)[N@H+](C)C1CC1 ZINC000398996793 387037916 /nfs/dbraw/zinc/03/79/16/387037916.db2.gz PXYWFGSBMVYGOP-SKDRFNHKSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)C1CCC1)[N@@H+](C)C1CC1 ZINC000398996793 387037919 /nfs/dbraw/zinc/03/79/19/387037919.db2.gz PXYWFGSBMVYGOP-SKDRFNHKSA-N 1 3 239.363 0.713 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)C1CCC1 ZINC000399002978 387039362 /nfs/dbraw/zinc/03/93/62/387039362.db2.gz UNPCSBYJPIQQGV-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)C1CCC1 ZINC000399002978 387039370 /nfs/dbraw/zinc/03/93/70/387039370.db2.gz UNPCSBYJPIQQGV-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)C1CCC1 ZINC000399002980 387039634 /nfs/dbraw/zinc/03/96/34/387039634.db2.gz UNPCSBYJPIQQGV-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)C1CCC1 ZINC000399002980 387039640 /nfs/dbraw/zinc/03/96/40/387039640.db2.gz UNPCSBYJPIQQGV-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@H](N)C2CCC2)CC1 ZINC000399026396 387041856 /nfs/dbraw/zinc/04/18/56/387041856.db2.gz HMAVHHLMRKFEQC-GFCCVEGCSA-N 1 3 239.363 0.572 20 0 BCADHO COCC[C@@H](C)N1CCCO[C@@H](C[NH3+])C1 ZINC000313388939 387050605 /nfs/dbraw/zinc/05/06/05/387050605.db2.gz LWLHCIULHGENBD-MNOVXSKESA-N 1 3 216.325 0.461 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)C1CCC1 ZINC000399067444 387053194 /nfs/dbraw/zinc/05/31/94/387053194.db2.gz KWXYLSUWLUCDNY-KOLCDFICSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C)CN1 ZINC000648108059 387053264 /nfs/dbraw/zinc/05/32/64/387053264.db2.gz VYBBBKBUORWPAM-UTLUCORTSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)CC[N@@H+]1C ZINC000648108007 387053459 /nfs/dbraw/zinc/05/34/59/387053459.db2.gz LGPUMLHALRWNFM-IRCOFANPSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@H](C)NC[C@H]2C)CC[N@H+]1C ZINC000648108007 387053462 /nfs/dbraw/zinc/05/34/62/387053462.db2.gz LGPUMLHALRWNFM-IRCOFANPSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@H](C)CN1 ZINC000648107965 387053510 /nfs/dbraw/zinc/05/35/10/387053510.db2.gz HTJMBUZECWCALG-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)N(C)C1CC1 ZINC000228005612 387060277 /nfs/dbraw/zinc/06/02/77/387060277.db2.gz TYBYVUQANOMUIO-JQWIXIFHSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000333138458 387017907 /nfs/dbraw/zinc/01/79/07/387017907.db2.gz CRHFCXFVPZVQMZ-UWVGGRQHSA-N 1 3 240.351 0.130 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CC[C@H](C)C1 ZINC000519161762 387026421 /nfs/dbraw/zinc/02/64/21/387026421.db2.gz NARNVMNLDYRKFM-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000398949789 387028602 /nfs/dbraw/zinc/02/86/02/387028602.db2.gz BHHWLVGBIVJJMF-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](CO)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766760 387070930 /nfs/dbraw/zinc/07/09/30/387070930.db2.gz OROGFPDSAAVXBO-NEPJUHHUSA-N 1 3 230.352 0.003 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000070946155 387084858 /nfs/dbraw/zinc/08/48/58/387084858.db2.gz HAGHQLUWJOSNLK-NSHDSACASA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000070946155 387084862 /nfs/dbraw/zinc/08/48/62/387084862.db2.gz HAGHQLUWJOSNLK-NSHDSACASA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188754228 387088103 /nfs/dbraw/zinc/08/81/03/387088103.db2.gz IYEBGZNVRJCUON-VHSXEESVSA-N 1 3 231.315 0.143 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188754228 387088106 /nfs/dbraw/zinc/08/81/06/387088106.db2.gz IYEBGZNVRJCUON-VHSXEESVSA-N 1 3 231.315 0.143 20 0 BCADHO C[C@H](CN(C)C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000352341317 387092718 /nfs/dbraw/zinc/09/27/18/387092718.db2.gz WYUQLFQIESEZCJ-WDEREUQCSA-N 1 3 244.383 0.576 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]C1)C12CCCN1CCC2 ZINC000335004041 387097675 /nfs/dbraw/zinc/09/76/75/387097675.db2.gz AGDOZJQTWKTEGV-LLVKDONJSA-N 1 3 237.347 0.483 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000067592183 387098031 /nfs/dbraw/zinc/09/80/31/387098031.db2.gz MTDKZGHOKVGNJF-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000071378627 387101422 /nfs/dbraw/zinc/10/14/22/387101422.db2.gz BTCBSAWKTGXHGI-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000071378627 387101426 /nfs/dbraw/zinc/10/14/26/387101426.db2.gz BTCBSAWKTGXHGI-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CCCCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074259 387117463 /nfs/dbraw/zinc/11/74/63/387117463.db2.gz HDSXYVSZZGJDBG-GFCCVEGCSA-N 1 3 241.379 0.964 20 0 BCADHO CC[N@H+](C)CCNC(=O)C[C@H]1CSCCN1 ZINC000085614203 387162399 /nfs/dbraw/zinc/16/23/99/387162399.db2.gz BEGFYRQSENLPMU-JTQLQIEISA-N 1 3 245.392 0.149 20 0 BCADHO CC[N@@H+](C)CCNC(=O)C[C@H]1CSCCN1 ZINC000085614203 387162405 /nfs/dbraw/zinc/16/24/05/387162405.db2.gz BEGFYRQSENLPMU-JTQLQIEISA-N 1 3 245.392 0.149 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CNCCC1(F)F ZINC000571761356 387163431 /nfs/dbraw/zinc/16/34/31/387163431.db2.gz HOJXMOWAEDKGEE-YUMQZZPRSA-N 1 3 235.278 0.227 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](N)C1CC1 ZINC000423327441 387170754 /nfs/dbraw/zinc/17/07/54/387170754.db2.gz RODRJMHAULVXKR-WQAKAFBOSA-N 1 3 223.364 0.796 20 0 BCADHO COC[C@H](NC[C@@H]([NH3+])C1CC1)C(C)C ZINC000423330842 387176681 /nfs/dbraw/zinc/17/66/81/387176681.db2.gz UHJMHMIQMJZRDH-MNOVXSKESA-N 1 3 200.326 0.984 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232263 387179864 /nfs/dbraw/zinc/17/98/64/387179864.db2.gz RLXZMFGTWBLDPX-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](NCCNCCOC)[C@@H]1CCC[NH2+]1 ZINC000423334552 387180812 /nfs/dbraw/zinc/18/08/12/387180812.db2.gz PHNDJWXGDJPTKK-RYUDHWBXSA-N 1 3 229.368 0.343 20 0 BCADHO C[C@H](C[NH3+])CN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423305005 387139068 /nfs/dbraw/zinc/13/90/68/387139068.db2.gz ZXECVMNEDAPHCW-OUAUKWLOSA-N 1 3 211.353 0.796 20 0 BCADHO C[NH+](C)CCCCNC(=O)C(N)C(F)(F)F ZINC000353465507 387207975 /nfs/dbraw/zinc/20/79/75/387207975.db2.gz FGYKLEOVNQSPEG-ZETCQYMHSA-N 1 3 241.257 0.334 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)OC ZINC000300418289 387209164 /nfs/dbraw/zinc/20/91/64/387209164.db2.gz MVMGRKJPDCPJBB-FVCCEPFGSA-N 1 3 244.379 0.966 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000300418289 387209169 /nfs/dbraw/zinc/20/91/69/387209169.db2.gz MVMGRKJPDCPJBB-FVCCEPFGSA-N 1 3 244.379 0.966 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418203377 387218221 /nfs/dbraw/zinc/21/82/21/387218221.db2.gz KHDNNBCWRKBOHK-VWYCJHECSA-N 1 3 242.367 0.234 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000418209539 387221120 /nfs/dbraw/zinc/22/11/20/387221120.db2.gz RNAMPPOJZLQHMM-UWVGGRQHSA-N 1 3 230.356 0.091 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418214735 387223490 /nfs/dbraw/zinc/22/34/90/387223490.db2.gz XXEZLLUUHNAWFL-JTQLQIEISA-N 1 3 244.383 0.563 20 0 BCADHO CC(C)[C@H](Cn1cccn1)N[C@H](C)C[NH3+] ZINC000423326312 387229147 /nfs/dbraw/zinc/22/91/47/387229147.db2.gz MMZKQGFCDHYBNR-MNOVXSKESA-N 1 3 210.325 0.845 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000353574839 387233139 /nfs/dbraw/zinc/23/31/39/387233139.db2.gz DFEVBKWXABMSIF-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000353574839 387233142 /nfs/dbraw/zinc/23/31/42/387233142.db2.gz DFEVBKWXABMSIF-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO CC[NH2+][C@H](C)CN[C@@H](C)C[C@@H]1COCCN1 ZINC000423403737 387240834 /nfs/dbraw/zinc/24/08/34/387240834.db2.gz ZLKMWRIXPDOICO-QJPTWQEYSA-N 1 3 229.368 0.341 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406600 387244404 /nfs/dbraw/zinc/24/44/04/387244404.db2.gz UWSRNFDRNCLUCI-WYUUTHIRSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@H](CC(C)(C)C)NC[C@H]1C[NH2+]C[C@H]1O ZINC000423416595 387248362 /nfs/dbraw/zinc/24/83/62/387248362.db2.gz FVYSALRJUNSWLP-GMTAPVOTSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H](CC(C)(C)C)[NH2+]C[C@H]1CNC[C@H]1O ZINC000423416595 387248364 /nfs/dbraw/zinc/24/83/64/387248364.db2.gz FVYSALRJUNSWLP-GMTAPVOTSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H](CC(C)(C)C)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000423416597 387249518 /nfs/dbraw/zinc/24/95/18/387249518.db2.gz FVYSALRJUNSWLP-OUAUKWLOSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H](CC(C)(C)C)[NH2+]C[C@@H]1CNC[C@H]1O ZINC000423416597 387249522 /nfs/dbraw/zinc/24/95/22/387249522.db2.gz FVYSALRJUNSWLP-OUAUKWLOSA-N 1 3 214.353 0.981 20 0 BCADHO COC[C@@H]([NH2+]C[C@@]1(COC)CCCN1)C1CC1 ZINC000423426667 387251820 /nfs/dbraw/zinc/25/18/20/387251820.db2.gz NHBXVZFXCKLBOG-CHWSQXEVSA-N 1 3 242.363 0.770 20 0 BCADHO CO[C@@H](CN)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000353423833 387198440 /nfs/dbraw/zinc/19/84/40/387198440.db2.gz DQQFZMQWZUBZRP-ZJUUUORDSA-N 1 3 245.367 0.053 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000571925934 387199104 /nfs/dbraw/zinc/19/91/04/387199104.db2.gz GECLJVVRVHDRKD-JTQLQIEISA-N 1 3 227.352 0.429 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000648110380 387311702 /nfs/dbraw/zinc/31/17/02/387311702.db2.gz XYLZUEASERKHOI-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000648110381 387312099 /nfs/dbraw/zinc/31/20/99/387312099.db2.gz XYLZUEASERKHOI-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@H](N)c1ccccc1 ZINC000514936451 387316794 /nfs/dbraw/zinc/31/67/94/387316794.db2.gz TYLJTAFTUMTHKM-JQWIXIFHSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@H](N)c1ccccc1 ZINC000514936452 387316840 /nfs/dbraw/zinc/31/68/40/387316840.db2.gz TYLJTAFTUMTHKM-PWSUYJOCSA-N 1 3 235.331 0.930 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000572179164 387256924 /nfs/dbraw/zinc/25/69/24/387256924.db2.gz KHLFPLUKCONVKS-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](CNC(=O)CC1(C[NH3+])CC1)N(C)C1CC1 ZINC000423375546 387257321 /nfs/dbraw/zinc/25/73/21/387257321.db2.gz KSIXVRYBRZKVJQ-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000423377567 387260734 /nfs/dbraw/zinc/26/07/34/387260734.db2.gz YZHOHFGNCYJXIX-WUHRBBMRSA-N 1 3 225.380 0.914 20 0 BCADHO CN1CCC[C@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000645684830 387269400 /nfs/dbraw/zinc/26/94/00/387269400.db2.gz HXSZYMGTOBRFEL-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000645684962 387270658 /nfs/dbraw/zinc/27/06/58/387270658.db2.gz PARJQVVLACRSEW-GMXVVIOVSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCCN(C)C1 ZINC000645684814 387270751 /nfs/dbraw/zinc/27/07/51/387270751.db2.gz HCSXGRKUJOKGLN-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H](Cn1cccn1)N[C@@H](C)C[NH3+] ZINC000423393945 387279066 /nfs/dbraw/zinc/27/90/66/387279066.db2.gz MMZKQGFCDHYBNR-QWRGUYRKSA-N 1 3 210.325 0.845 20 0 BCADHO CCN(CC)CC(=O)NCCCC[NH+](C)C ZINC000353816694 387280817 /nfs/dbraw/zinc/28/08/17/387280817.db2.gz SAEUEPHXZVREJW-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423438096 387287797 /nfs/dbraw/zinc/28/77/97/387287797.db2.gz GTKOIQLCEFAWHK-NAKRPEOUSA-N 1 3 211.353 0.937 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423438096 387287805 /nfs/dbraw/zinc/28/78/05/387287805.db2.gz GTKOIQLCEFAWHK-NAKRPEOUSA-N 1 3 211.353 0.937 20 0 BCADHO C1CC2(C1)[C@@H]1OCC[C@@H]1[C@@H]2N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423437452 387288758 /nfs/dbraw/zinc/28/87/58/387288758.db2.gz QPIDGNBEBHVDEQ-BSKUUZOQSA-N 1 3 234.343 0.751 20 0 BCADHO C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000336463653 387293050 /nfs/dbraw/zinc/29/30/50/387293050.db2.gz IUDKZJZOLCROLU-QMMMGPOBSA-N 1 3 219.288 0.618 20 0 BCADHO CN(C(=O)[C@@H]1[NH2+]CC1(C)C)C1CCN(C)CC1 ZINC000648110347 387298726 /nfs/dbraw/zinc/29/87/26/387298726.db2.gz ULPAMNNQXFAULD-NSHDSACASA-N 1 3 239.363 0.537 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000423530285 387359646 /nfs/dbraw/zinc/35/96/46/387359646.db2.gz YTHMCPWGTZDFCU-RWMBFGLXSA-N 1 3 241.379 0.295 20 0 BCADHO C[C@H]1CN(C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423533050 387360823 /nfs/dbraw/zinc/36/08/23/387360823.db2.gz WMQFHUKSALWMGR-CMPLNLGQSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423533051 387361897 /nfs/dbraw/zinc/36/18/97/387361897.db2.gz WMQFHUKSALWMGR-JQWIXIFHSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](N)CC1CCCCC1 ZINC000423536229 387362132 /nfs/dbraw/zinc/36/21/32/387362132.db2.gz HDQRYWGUCFOPTD-MWLCHTKSSA-N 1 3 227.352 0.748 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000423601949 387384553 /nfs/dbraw/zinc/38/45/53/387384553.db2.gz HBNRXJPHLVRECX-SDDRHHMPSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CNCCC1(F)F ZINC000423471371 387319888 /nfs/dbraw/zinc/31/98/88/387319888.db2.gz FDHWDAYJUPNAIK-BBBLOLIVSA-N 1 3 233.306 0.571 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336498144 387322578 /nfs/dbraw/zinc/32/25/78/387322578.db2.gz LFENLKKDWXUNFD-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000515056577 387327452 /nfs/dbraw/zinc/32/74/52/387327452.db2.gz CGNNQRQBCPRBES-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000423483815 387329944 /nfs/dbraw/zinc/32/99/44/387329944.db2.gz RRONOWMVPUMXDN-OUAUKWLOSA-N 1 3 247.333 0.913 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000423483815 387329947 /nfs/dbraw/zinc/32/99/47/387329947.db2.gz RRONOWMVPUMXDN-OUAUKWLOSA-N 1 3 247.333 0.913 20 0 BCADHO C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490850 387337070 /nfs/dbraw/zinc/33/70/70/387337070.db2.gz IQTVEXQFSUPROK-RHYQMDGZSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](NC[C@@H]1CNCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507085 387345402 /nfs/dbraw/zinc/34/54/02/387345402.db2.gz HPJYHWYXOZNWIF-AVGNSLFASA-N 1 3 240.395 0.010 20 0 BCADHO CC[NH2+]CCCNC(=O)NC[C@H]1CCCN1C ZINC000515220955 387346932 /nfs/dbraw/zinc/34/69/32/387346932.db2.gz KBQAQMWEDJACKD-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCOCCN(C)C ZINC000423788888 387427257 /nfs/dbraw/zinc/42/72/57/387427257.db2.gz DRQISNDMDKAMHN-LLVKDONJSA-N 1 3 245.367 0.069 20 0 BCADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN1 ZINC000423802571 387430095 /nfs/dbraw/zinc/43/00/95/387430095.db2.gz OPGVFLHQJYPYPJ-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN1 ZINC000423802571 387430098 /nfs/dbraw/zinc/43/00/98/387430098.db2.gz OPGVFLHQJYPYPJ-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423820612 387431017 /nfs/dbraw/zinc/43/10/17/387431017.db2.gz PXKVFNIRGXBKEZ-GHMZBOCLSA-N 1 3 225.336 0.467 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000423820613 387432639 /nfs/dbraw/zinc/43/26/39/387432639.db2.gz PXKVFNIRGXBKEZ-MNOVXSKESA-N 1 3 225.336 0.467 20 0 BCADHO C[NH+](C)CCC1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000361296095 387433827 /nfs/dbraw/zinc/43/38/27/387433827.db2.gz IRZGWYGIZJYGOF-OLZOCXBDSA-N 1 3 242.363 0.410 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[NH2+]CC1CC1 ZINC000423844113 387434168 /nfs/dbraw/zinc/43/41/68/387434168.db2.gz ISLKGOANZYKLAG-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)CCN(C)C1CC1 ZINC000423838219 387435293 /nfs/dbraw/zinc/43/52/93/387435293.db2.gz BQYCUXYCZVAAOU-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)CCN(C)C1CC1 ZINC000423856005 387437187 /nfs/dbraw/zinc/43/71/87/387437187.db2.gz XVQMHFXLSQNOJO-VIFPVBQESA-N 1 3 213.325 0.276 20 0 BCADHO C[NH+](C)CC1CCN(C(=O)CNC2CC2)CC1 ZINC000037826120 387449331 /nfs/dbraw/zinc/44/93/31/387449331.db2.gz WZAMYKHCNCJYMI-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826118 387449392 /nfs/dbraw/zinc/44/93/92/387449392.db2.gz YTHDYKPCFUJKRS-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CN1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000336616473 387457213 /nfs/dbraw/zinc/45/72/13/387457213.db2.gz HWNKDLJXYNDEJT-LBPRGKRZSA-N 1 3 237.347 0.316 20 0 BCADHO CN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000336616473 387457218 /nfs/dbraw/zinc/45/72/18/387457218.db2.gz HWNKDLJXYNDEJT-LBPRGKRZSA-N 1 3 237.347 0.316 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423974746 387459783 /nfs/dbraw/zinc/45/97/83/387459783.db2.gz LDFILNOEFPLSRH-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CCC[C@H](C(=O)N[C@@H](C)C[NH3+])N(C)C ZINC000423595029 387385514 /nfs/dbraw/zinc/38/55/14/387385514.db2.gz PACNRPGATIYWPF-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)C12CCCN1CCC2 ZINC000423627472 387388851 /nfs/dbraw/zinc/38/88/51/387388851.db2.gz IGMRUAWTZVGMQU-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)N(C)C ZINC000423656170 387392158 /nfs/dbraw/zinc/39/21/58/387392158.db2.gz WLLPFVALYMUTSL-GARJFASQSA-N 1 3 227.352 0.521 20 0 BCADHO CCC[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])N(C)C ZINC000423672537 387393607 /nfs/dbraw/zinc/39/36/07/387393607.db2.gz DXGFDVUGDCWNES-IVZWLZJFSA-N 1 3 215.341 0.569 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000423744147 387407355 /nfs/dbraw/zinc/40/73/55/387407355.db2.gz NGGRKMYVJIYYSC-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CNC[C@@H](O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000515649843 387413438 /nfs/dbraw/zinc/41/34/38/387413438.db2.gz BZXMEXFIXLDARR-VXGBXAGGSA-N 1 3 230.352 0.098 20 0 BCADHO CNC[C@@H](O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000515649841 387414298 /nfs/dbraw/zinc/41/42/98/387414298.db2.gz BZXMEXFIXLDARR-NWDGAFQWSA-N 1 3 230.352 0.098 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@@H]1CN1CCCC1 ZINC000336597768 387422983 /nfs/dbraw/zinc/42/29/83/387422983.db2.gz WJLKHKNHEYFAEA-VXGBXAGGSA-N 1 3 237.347 0.435 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCN2CCC(O)CC2)C1 ZINC000321776528 387507750 /nfs/dbraw/zinc/50/77/50/387507750.db2.gz HBKSSVFNZUKXNL-VXGBXAGGSA-N 1 3 241.379 0.303 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375256299 387518712 /nfs/dbraw/zinc/51/87/12/387518712.db2.gz PALGKSOZYWYNSM-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC1CCN(CC(=O)N(C)CC[NH3+])CC1 ZINC000424010161 387466294 /nfs/dbraw/zinc/46/62/94/387466294.db2.gz ZLEVNZKIQYJXIU-UHFFFAOYSA-N 1 3 213.325 0.135 20 0 BCADHO C[C@H](O)C[N@H+](C)CC[C@H]1CCCN1C ZINC000361505572 387474070 /nfs/dbraw/zinc/47/40/70/387474070.db2.gz PZAQLGYUYKBQDI-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](O)C[N@@H+](C)CC[C@H]1CCCN1C ZINC000361505572 387474074 /nfs/dbraw/zinc/47/40/74/387474074.db2.gz PZAQLGYUYKBQDI-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000424075569 387477794 /nfs/dbraw/zinc/47/77/94/387477794.db2.gz JQTIJHPCVNZNHU-NWDGAFQWSA-N 1 3 239.363 0.762 20 0 BCADHO N[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424079675 387480552 /nfs/dbraw/zinc/48/05/52/387480552.db2.gz RMQKWTMUFPLOAW-VWYCJHECSA-N 1 3 219.288 0.150 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424078072 387481201 /nfs/dbraw/zinc/48/12/01/387481201.db2.gz PJOYQLDVKBKPIO-MNOVXSKESA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831327 387584856 /nfs/dbraw/zinc/58/48/56/387584856.db2.gz XGRXEPLRDKFOKA-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO NC1(C(=O)N2CCC(C[NH3+])CC2)CCCCC1 ZINC000238023764 387591605 /nfs/dbraw/zinc/59/16/05/387591605.db2.gz ZWKIIUNDQSKZDS-UHFFFAOYSA-N 1 3 239.363 0.845 20 0 BCADHO NC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCCCC1 ZINC000238057629 387593429 /nfs/dbraw/zinc/59/34/29/387593429.db2.gz JGSZLKFNSGTABU-NSHDSACASA-N 1 3 239.363 0.845 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](N)C1CCC1 ZINC000422536219 387595533 /nfs/dbraw/zinc/59/55/33/387595533.db2.gz DUNOHBUFSSMIEP-VXGBXAGGSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)C1CCC1 ZINC000422536211 387595609 /nfs/dbraw/zinc/59/56/09/387595609.db2.gz DUNOHBUFSSMIEP-NEPJUHHUSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@H](C)N1 ZINC000422545931 387596852 /nfs/dbraw/zinc/59/68/52/387596852.db2.gz YDHYEKYQPFFHJB-FXPVBKGRSA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422545762 387597561 /nfs/dbraw/zinc/59/75/61/387597561.db2.gz XVIIIANAQISBSX-NAKRPEOUSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)CCN(C)C ZINC000355968676 387600411 /nfs/dbraw/zinc/60/04/11/387600411.db2.gz JRHAKNIVWXNIIR-NSHDSACASA-N 1 3 244.383 0.530 20 0 BCADHO CCC[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)N(C)C ZINC000422682782 387611034 /nfs/dbraw/zinc/61/10/34/387611034.db2.gz BPHMCWYTPPZOLF-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[N@H+](CCCN1CCOCC1)CC(C)(C)CN ZINC000430595226 387629757 /nfs/dbraw/zinc/62/97/57/387629757.db2.gz HOAPHNUVDSDBEF-UHFFFAOYSA-N 1 3 243.395 0.625 20 0 BCADHO C[N@@H+](CCCN1CCOCC1)CC(C)(C)CN ZINC000430595226 387629762 /nfs/dbraw/zinc/62/97/62/387629762.db2.gz HOAPHNUVDSDBEF-UHFFFAOYSA-N 1 3 243.395 0.625 20 0 BCADHO CN(CCCN1CCOCC1)CC(C)(C)C[NH3+] ZINC000430595226 387629765 /nfs/dbraw/zinc/62/97/65/387629765.db2.gz HOAPHNUVDSDBEF-UHFFFAOYSA-N 1 3 243.395 0.625 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422712695 387626123 /nfs/dbraw/zinc/62/61/23/387626123.db2.gz ONTIPHKYGIMELX-RWMBFGLXSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCOCC1(C)C ZINC000422712280 387626238 /nfs/dbraw/zinc/62/62/38/387626238.db2.gz NUMWMEXKYOPOJN-NWDGAFQWSA-N 1 3 243.395 0.813 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)C)[C@H](C)[NH3+] ZINC000399554380 387554705 /nfs/dbraw/zinc/55/47/05/387554705.db2.gz ASSUZFTUXRDIOI-VWYCJHECSA-N 1 3 229.368 0.672 20 0 BCADHO CC[C@@H](N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000036871075 387558353 /nfs/dbraw/zinc/55/83/53/387558353.db2.gz XNVIVNSRTWWTGL-LLVKDONJSA-N 1 3 229.368 0.959 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000355741506 387575370 /nfs/dbraw/zinc/57/53/70/387575370.db2.gz MIOZFNSKQAPWRP-LLVKDONJSA-N 1 3 229.368 0.642 20 0 BCADHO C[C@](C[NH3+])(NCCCN1CCOCC1)C1CC1 ZINC000430583135 387631004 /nfs/dbraw/zinc/63/10/04/387631004.db2.gz MEUAINKKWDURFJ-CYBMUJFWSA-N 1 3 241.379 0.426 20 0 BCADHO CCN(C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422718187 387631019 /nfs/dbraw/zinc/63/10/19/387631019.db2.gz PGTNJPUUJBFXEP-VXGBXAGGSA-N 1 3 213.369 0.916 20 0 BCADHO CC[C@H](C)[C@H](O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422719476 387633374 /nfs/dbraw/zinc/63/33/74/387633374.db2.gz YGAAFWSSAGWNIW-LNFKQOIKSA-N 1 3 200.326 0.863 20 0 BCADHO CC(C)N(C)C(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000430644628 387636624 /nfs/dbraw/zinc/63/66/24/387636624.db2.gz ABIOHQZZUBQGHS-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCn1ccnc1 ZINC000422728314 387637460 /nfs/dbraw/zinc/63/74/60/387637460.db2.gz FTORYXIBJNHYEB-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000430742261 387647264 /nfs/dbraw/zinc/64/72/64/387647264.db2.gz LESPMRXLXYXVSP-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@H+]1CCCC[C@H]1C ZINC000430742261 387647270 /nfs/dbraw/zinc/64/72/70/387647270.db2.gz LESPMRXLXYXVSP-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO CN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CCN(C)CC1 ZINC000125276919 387649048 /nfs/dbraw/zinc/64/90/48/387649048.db2.gz BTTUEKIIXRTCBZ-GFCCVEGCSA-N 1 3 243.326 0.241 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000356371891 387650019 /nfs/dbraw/zinc/65/00/19/387650019.db2.gz HHSCLEIEYKYYCB-LMLFDSFASA-N 1 3 225.336 0.323 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)CNC)C[C@@H]1C ZINC000430796238 387651089 /nfs/dbraw/zinc/65/10/89/387651089.db2.gz KBFMNTYSUZPYOJ-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)CNC)C[C@@H]1C ZINC000430796238 387651091 /nfs/dbraw/zinc/65/10/91/387651091.db2.gz KBFMNTYSUZPYOJ-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N(C)C ZINC000422746812 387651249 /nfs/dbraw/zinc/65/12/49/387651249.db2.gz OIVWZNUIRXRZAR-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)C[C@H]1C ZINC000430795861 387651896 /nfs/dbraw/zinc/65/18/96/387651896.db2.gz IMXCEHWTVWYABR-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)C[C@H]1C ZINC000430795861 387651903 /nfs/dbraw/zinc/65/19/03/387651903.db2.gz IMXCEHWTVWYABR-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)CC[NH3+])CCN1C ZINC000430792118 387652681 /nfs/dbraw/zinc/65/26/81/387652681.db2.gz HCKXFQYXZJCXNL-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430899585 387659584 /nfs/dbraw/zinc/65/95/84/387659584.db2.gz MECWOTGCYAKNGR-KOLCDFICSA-N 1 3 225.336 0.419 20 0 BCADHO CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1N ZINC000422758175 387660442 /nfs/dbraw/zinc/66/04/42/387660442.db2.gz NPYYBIWORGQOPP-WOPDTQHZSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424136580 387662403 /nfs/dbraw/zinc/66/24/03/387662403.db2.gz QYHUYVKBHFQNOJ-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430968668 387666483 /nfs/dbraw/zinc/66/64/83/387666483.db2.gz ATTUKYNWUPOYQR-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@H]1CCCCN1 ZINC000422765328 387666677 /nfs/dbraw/zinc/66/66/77/387666677.db2.gz OVSFSHHCVITDHH-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424137770 387667281 /nfs/dbraw/zinc/66/72/81/387667281.db2.gz SMTQZIZDAOCPDS-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000422769080 387668170 /nfs/dbraw/zinc/66/81/70/387668170.db2.gz SQOXGHWFWHRXES-RWMBFGLXSA-N 1 3 243.395 0.670 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000431023861 387670063 /nfs/dbraw/zinc/67/00/63/387670063.db2.gz JHTUYAPGDSKJPT-ZMLRMANQSA-N 1 3 237.347 0.337 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000431022917 387671316 /nfs/dbraw/zinc/67/13/16/387671316.db2.gz FXJAPMRBBGQPIO-JBLDHEPKSA-N 1 3 239.363 0.441 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000431022918 387671424 /nfs/dbraw/zinc/67/14/24/387671424.db2.gz FXJAPMRBBGQPIO-NHCYSSNCSA-N 1 3 239.363 0.441 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCC[NH3+] ZINC000431023872 387671597 /nfs/dbraw/zinc/67/15/97/387671597.db2.gz JIKYCUZHMPWJJC-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO CCCNC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431036639 387672567 /nfs/dbraw/zinc/67/25/67/387672567.db2.gz GOSRQZAANJMBBR-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO C[C@H](C(N)=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000123331086 387683767 /nfs/dbraw/zinc/68/37/67/387683767.db2.gz JZJHCOOHEDULQO-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO COCCCN(C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422786547 387687346 /nfs/dbraw/zinc/68/73/46/387687346.db2.gz SMAFJRYAVKQAPL-CHWSQXEVSA-N 1 3 243.395 0.542 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1N ZINC000422876878 387756152 /nfs/dbraw/zinc/75/61/52/387756152.db2.gz QVUUYRYAZREPTG-MGAJPHDKSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000422876878 387756153 /nfs/dbraw/zinc/75/61/53/387756153.db2.gz QVUUYRYAZREPTG-MGAJPHDKSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H](NCCN1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422862209 387743304 /nfs/dbraw/zinc/74/33/04/387743304.db2.gz PISMDUHMYFMUJG-VXGBXAGGSA-N 1 3 225.380 0.916 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000377739765 387745477 /nfs/dbraw/zinc/74/54/77/387745477.db2.gz BPQSCDIRBPWXKG-NEPJUHHUSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCO[C@H]1CCOC1 ZINC000422872948 387751469 /nfs/dbraw/zinc/75/14/69/387751469.db2.gz JHGVLCJWBNEHCL-AGIUHOORSA-N 1 3 242.363 0.770 20 0 BCADHO CCN(CC[NH2+][C@H]1CCC[C@@H]1N)C1CC1 ZINC000422875912 387751709 /nfs/dbraw/zinc/75/17/09/387751709.db2.gz DKYISKXJWZSAJT-RYUDHWBXSA-N 1 3 211.353 0.940 20 0 BCADHO CCC[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)N(C)C ZINC000422804704 387702346 /nfs/dbraw/zinc/70/23/46/387702346.db2.gz KXZXPJHMEDRFNC-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N(C)C ZINC000629614020 387714448 /nfs/dbraw/zinc/71/44/48/387714448.db2.gz VIRGNPIUAPLSMK-XHNCKOQMSA-N 1 3 201.314 0.179 20 0 BCADHO Cc1nccn1CC[NH2+][C@@H]1CNCC[C@H]1C ZINC000422830245 387722408 /nfs/dbraw/zinc/72/24/08/387722408.db2.gz CJFRRCWRJYHVIQ-ZYHUDNBSSA-N 1 3 222.336 0.779 20 0 BCADHO Cc1nccn1CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422830245 387722416 /nfs/dbraw/zinc/72/24/16/387722416.db2.gz CJFRRCWRJYHVIQ-ZYHUDNBSSA-N 1 3 222.336 0.779 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]C)N(C)C ZINC000422832752 387726473 /nfs/dbraw/zinc/72/64/73/387726473.db2.gz VNLROTGQJGVOEP-QWRGUYRKSA-N 1 3 229.368 0.688 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000367617560 387734828 /nfs/dbraw/zinc/73/48/28/387734828.db2.gz QPEUVYMFDYCPGN-WUHRBBMRSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000422848606 387735000 /nfs/dbraw/zinc/73/50/00/387735000.db2.gz AXYINMFMNVBZLU-GMTAPVOTSA-N 1 3 209.337 0.563 20 0 BCADHO C[C@@H](NCCN1CCC(C)CC1)C1C[NH2+]C1 ZINC000422855849 387737522 /nfs/dbraw/zinc/73/75/22/387737522.db2.gz FLNFODRWXPVZFY-GFCCVEGCSA-N 1 3 225.380 0.916 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1N ZINC000422876877 387756133 /nfs/dbraw/zinc/75/61/33/387756133.db2.gz QVUUYRYAZREPTG-JHEVNIALSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]1[NH3+] ZINC000422876877 387756136 /nfs/dbraw/zinc/75/61/36/387756136.db2.gz QVUUYRYAZREPTG-JHEVNIALSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H](NC[C@@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000422897773 387766512 /nfs/dbraw/zinc/76/65/12/387766512.db2.gz CSTRFOWYWHOWTK-WOPDTQHZSA-N 1 3 211.353 0.811 20 0 BCADHO CO[C@H](C)CCN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422908128 387769789 /nfs/dbraw/zinc/76/97/89/387769789.db2.gz YEZOYEGRLXVDIG-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000422912881 387770580 /nfs/dbraw/zinc/77/05/80/387770580.db2.gz XFUKMAGYOADBTD-QWHCGFSZSA-N 1 3 243.395 0.814 20 0 BCADHO COCCN(C)CCN[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422912881 387770583 /nfs/dbraw/zinc/77/05/83/387770583.db2.gz XFUKMAGYOADBTD-QWHCGFSZSA-N 1 3 243.395 0.814 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000441599597 387771600 /nfs/dbraw/zinc/77/16/00/387771600.db2.gz OYUDLYLSSGSYLK-CMPLNLGQSA-N 1 3 235.331 0.788 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CCCCC[C@@H]1N ZINC000422912882 387772012 /nfs/dbraw/zinc/77/20/12/387772012.db2.gz XFUKMAGYOADBTD-STQMWFEESA-N 1 3 243.395 0.814 20 0 BCADHO COCCN(C)CCN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000422912882 387772015 /nfs/dbraw/zinc/77/20/15/387772015.db2.gz XFUKMAGYOADBTD-STQMWFEESA-N 1 3 243.395 0.814 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)[C@@H]2CCCO2)CC1 ZINC000527949196 387782673 /nfs/dbraw/zinc/78/26/73/387782673.db2.gz FYQFUQMHKBUTOO-OLZOCXBDSA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422978406 387789321 /nfs/dbraw/zinc/78/93/21/387789321.db2.gz ZJQPCHWYWRBXPX-JHJVBQTASA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422978406 387789323 /nfs/dbraw/zinc/78/93/23/387789323.db2.gz ZJQPCHWYWRBXPX-JHJVBQTASA-N 1 3 244.379 0.737 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639510 387798619 /nfs/dbraw/zinc/79/86/19/387798619.db2.gz NACZGKGFOFYYJN-DBIOUOCHSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000432534031 387800657 /nfs/dbraw/zinc/80/06/57/387800657.db2.gz BNSAPEQLJIOMHQ-TUAOUCFPSA-N 1 3 241.379 0.687 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442616681 387808644 /nfs/dbraw/zinc/80/86/44/387808644.db2.gz BTRPSDGMPZTMRT-GHMZBOCLSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)[C@](C)(O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422975784 387827155 /nfs/dbraw/zinc/82/71/55/387827155.db2.gz HGYYRCZODYCSJJ-OUAUKWLOSA-N 1 3 200.326 0.863 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000423008751 387830775 /nfs/dbraw/zinc/83/07/75/387830775.db2.gz UMZKTGMIJSGXFM-QJPTWQEYSA-N 1 3 244.404 0.962 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000070502769 387840764 /nfs/dbraw/zinc/84/07/64/387840764.db2.gz JQUFIXBPFBQGJB-MNOVXSKESA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCCN1CCOCC1 ZINC000442789397 387841232 /nfs/dbraw/zinc/84/12/32/387841232.db2.gz ZDJJHNMMPUEHIM-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCCN1CCOCC1 ZINC000442789397 387841237 /nfs/dbraw/zinc/84/12/37/387841237.db2.gz ZDJJHNMMPUEHIM-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@H]1C[C@H](CN)C[N@H+]1CCCN1CCOCC1 ZINC000442789397 387841242 /nfs/dbraw/zinc/84/12/42/387841242.db2.gz ZDJJHNMMPUEHIM-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO N[C@H]1C[C@H]1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000424163408 387846415 /nfs/dbraw/zinc/84/64/15/387846415.db2.gz DSOMPUOANDLADX-NEPJUHHUSA-N 1 3 239.363 0.701 20 0 BCADHO N[C@H]1C[C@H]1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000424163577 387847105 /nfs/dbraw/zinc/84/71/05/387847105.db2.gz VNCPOMBEEZKQKW-OLZOCXBDSA-N 1 3 247.342 0.711 20 0 BCADHO CC[C@@H](NCCOCCN(C)C)[C@@H]1CCC[NH2+]1 ZINC000423072856 387873862 /nfs/dbraw/zinc/87/38/62/387873862.db2.gz QDVUCOOEBUHNII-OLZOCXBDSA-N 1 3 243.395 0.685 20 0 BCADHO CC[C@H](NC[C@@]1(O)CCN(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423038154 387850684 /nfs/dbraw/zinc/85/06/84/387850684.db2.gz NUIGICMBSWROHH-AVGNSLFASA-N 1 3 241.379 0.173 20 0 BCADHO COC(=O)CCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193610142 387859605 /nfs/dbraw/zinc/85/96/05/387859605.db2.gz SWHXLUWCYFYTTR-PHIMTYICSA-N 1 3 226.320 0.433 20 0 BCADHO COC(=O)CCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193610142 387859607 /nfs/dbraw/zinc/85/96/07/387859607.db2.gz SWHXLUWCYFYTTR-PHIMTYICSA-N 1 3 226.320 0.433 20 0 BCADHO CN(C)C1(C[NH2+][C@H]2CCC[C@@H]2N)CCC1 ZINC000423057673 387864393 /nfs/dbraw/zinc/86/43/93/387864393.db2.gz HVQDPAMVTMEUKK-QWRGUYRKSA-N 1 3 211.353 0.940 20 0 BCADHO CC[C@@H](CO)[NH2+][C@@H]1CCNCC[C@H]1C ZINC000423058339 387864550 /nfs/dbraw/zinc/86/45/50/387864550.db2.gz JKQNAEWUIIHKES-OUAUKWLOSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](CO)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000423058339 387864555 /nfs/dbraw/zinc/86/45/55/387864555.db2.gz JKQNAEWUIIHKES-OUAUKWLOSA-N 1 3 200.326 0.735 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1c[nH]nc1C ZINC000629529885 387872737 /nfs/dbraw/zinc/87/27/37/387872737.db2.gz PHKJLINBDRJONV-SECBINFHSA-N 1 3 226.324 0.605 20 0 BCADHO CC(C)[C@H](CO)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423113621 387897082 /nfs/dbraw/zinc/89/70/82/387897082.db2.gz URDDIACRLQAHNO-HBNTYKKESA-N 1 3 200.326 0.720 20 0 BCADHO CC[C@H](NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCC[NH2+]1 ZINC000643538226 387877384 /nfs/dbraw/zinc/87/73/84/387877384.db2.gz BWCWPKMHJBVJDL-BJDJZHNGSA-N 1 3 229.343 0.807 20 0 BCADHO C[C@H](NC[C@@H]1C[C@H](F)CN1)[C@H]1CCC[NH2+]1 ZINC000643538347 387877644 /nfs/dbraw/zinc/87/76/44/387877644.db2.gz HHDPYVKDSARGCW-XWLWVQCSSA-N 1 3 215.316 0.417 20 0 BCADHO C[C@H](NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCCC[NH2+]1 ZINC000643538248 387878022 /nfs/dbraw/zinc/87/80/22/387878022.db2.gz CIKDSYBYQAVNON-BJDJZHNGSA-N 1 3 229.343 0.807 20 0 BCADHO CC[C@@H]1CN(CCN[C@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000423086208 387879884 /nfs/dbraw/zinc/87/98/84/387879884.db2.gz LQHQNGCYGKSGKM-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])c(=O)n1C ZINC000423086561 387880794 /nfs/dbraw/zinc/88/07/94/387880794.db2.gz MDHNMPVKEBBUBO-YPMHNXCESA-N 1 3 249.358 0.911 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423116661 387899518 /nfs/dbraw/zinc/89/95/18/387899518.db2.gz QXOBSBBEGDVMIN-BJDJZHNGSA-N 1 3 239.363 0.855 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000514671795 387919361 /nfs/dbraw/zinc/91/93/61/387919361.db2.gz FXCDCEQUZJCNBG-AEJSXWLSSA-N 1 3 215.341 0.603 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000237991978 387931044 /nfs/dbraw/zinc/93/10/44/387931044.db2.gz DHBJQTMPYDSTFI-WDEREUQCSA-N 1 3 225.336 0.244 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000423154218 387932608 /nfs/dbraw/zinc/93/26/08/387932608.db2.gz IWHUPDQEDUYTPX-GMTAPVOTSA-N 1 3 227.352 0.631 20 0 BCADHO CCC[C@@H](CN[C@@H](C)C1C[NH2+]C1)OC ZINC000423147635 387925222 /nfs/dbraw/zinc/92/52/22/387925222.db2.gz SLUWTVYPUMNGHQ-ONGXEEELSA-N 1 3 200.326 0.999 20 0 BCADHO CCC[C@@H](C[NH2+][C@@H](C)C1CNC1)OC ZINC000423147635 387925226 /nfs/dbraw/zinc/92/52/26/387925226.db2.gz SLUWTVYPUMNGHQ-ONGXEEELSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147594 387925964 /nfs/dbraw/zinc/92/59/64/387925964.db2.gz DAVDOMCELHXEIT-XQHKEYJVSA-N 1 3 241.379 0.565 20 0 BCADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])C(=O)NC ZINC000423167613 387952268 /nfs/dbraw/zinc/95/22/68/387952268.db2.gz SPVPMYMPEFHELY-VWYCJHECSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C(=O)NCC1([NH+](C)C)CCC1)N(C)C ZINC000438522406 387941583 /nfs/dbraw/zinc/94/15/83/387941583.db2.gz CZVBKZHQVGHUMI-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCNc1ccncc1 ZINC000645642548 387948030 /nfs/dbraw/zinc/94/80/30/387948030.db2.gz JDDYMDRDDUVMJF-UWVGGRQHSA-N 1 3 236.319 0.015 20 0 BCADHO CN1CC[C@@H](C[NH2+][C@H]2CCCNCC2)CC1=O ZINC000424368327 387992395 /nfs/dbraw/zinc/99/23/95/387992395.db2.gz BACQURBKCCEIQS-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CC[C@H](C[NH2+][C@H]2CCCNCC2)CC1=O ZINC000424368330 387992679 /nfs/dbraw/zinc/99/26/79/387992679.db2.gz BACQURBKCCEIQS-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO COCCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2N)C1 ZINC000424374875 387999394 /nfs/dbraw/zinc/99/93/94/387999394.db2.gz LYEXGEKBZIJZMR-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000424374875 387999397 /nfs/dbraw/zinc/99/93/97/387999397.db2.gz LYEXGEKBZIJZMR-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@H]([NH3+])CCN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423222219 388001150 /nfs/dbraw/zinc/00/11/50/388001150.db2.gz AGGZSVGZUHACJC-DCAQKATOSA-N 1 3 211.353 0.939 20 0 BCADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCNC2)[C@H]1C ZINC000423219963 388002575 /nfs/dbraw/zinc/00/25/75/388002575.db2.gz XDIDNJGTCLNWHS-BJDJZHNGSA-N 1 3 240.347 0.916 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000156617276 388011306 /nfs/dbraw/zinc/01/13/06/388011306.db2.gz WEVZKWFKILNGDC-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@@H+]1C ZINC000446369194 388017092 /nfs/dbraw/zinc/01/70/92/388017092.db2.gz LMWJXAJYGOEMGQ-LMLFDSFASA-N 1 3 243.326 0.285 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@H+]1C ZINC000446369194 388017098 /nfs/dbraw/zinc/01/70/98/388017098.db2.gz LMWJXAJYGOEMGQ-LMLFDSFASA-N 1 3 243.326 0.285 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082256337 388019946 /nfs/dbraw/zinc/01/99/46/388019946.db2.gz JDKXVZJHAHBPJH-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082256337 388019948 /nfs/dbraw/zinc/01/99/48/388019948.db2.gz JDKXVZJHAHBPJH-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO CC[NH2+]CCN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423236369 388020013 /nfs/dbraw/zinc/02/00/13/388020013.db2.gz CBKAAUYOHOZEAO-GHMZBOCLSA-N 1 3 211.353 0.811 20 0 BCADHO CC[NH2+]CCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423236370 388020019 /nfs/dbraw/zinc/02/00/19/388020019.db2.gz CBKAAUYOHOZEAO-MNOVXSKESA-N 1 3 211.353 0.811 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000648713682 388042478 /nfs/dbraw/zinc/04/24/78/388042478.db2.gz UKILVAXVOCNDQW-NXEZZACHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H]1[C@H](C(=O)NCCN(C)C)CC[N@H+]1C ZINC000648713682 388042480 /nfs/dbraw/zinc/04/24/80/388042480.db2.gz UKILVAXVOCNDQW-NXEZZACHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H](CC(N)=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000423264007 388042798 /nfs/dbraw/zinc/04/27/98/388042798.db2.gz PLKBKJPOCPRKEL-GXSJLCMTSA-N 1 3 227.352 0.748 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@H]1CCCO1 ZINC000423274882 388055827 /nfs/dbraw/zinc/05/58/27/388055827.db2.gz MKJJYEZGBAYFBX-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@H](C)C[NH2+]C)C1 ZINC000423277346 388058678 /nfs/dbraw/zinc/05/86/78/388058678.db2.gz PXLXMLBCRWYYSP-GRYCIOLGSA-N 1 3 213.369 0.772 20 0 BCADHO C[C@@H](N)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000083907645 388065296 /nfs/dbraw/zinc/06/52/96/388065296.db2.gz DHNHIRIDJWBWLF-SNVBAGLBSA-N 1 3 239.363 0.857 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423295045 388076847 /nfs/dbraw/zinc/07/68/47/388076847.db2.gz DHQPBTNNALNWEV-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CCCC[C@H](CN)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000423298288 388080353 /nfs/dbraw/zinc/08/03/53/388080353.db2.gz NYGOWRZQEXUYJY-JHJVBQTASA-N 1 3 243.395 0.861 20 0 BCADHO CCCC[C@H](C[NH3+])N[C@H](C)C[C@@H]1COCCN1 ZINC000423298288 388080355 /nfs/dbraw/zinc/08/03/55/388080355.db2.gz NYGOWRZQEXUYJY-JHJVBQTASA-N 1 3 243.395 0.861 20 0 BCADHO C[C@H](Cn1cccn1)[NH2+]CCOCCN(C)C ZINC000447596102 388081025 /nfs/dbraw/zinc/08/10/25/388081025.db2.gz PONMSYLMRRGYGP-GFCCVEGCSA-N 1 3 240.351 0.439 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCCS(C)(=O)=O ZINC000336659227 388082609 /nfs/dbraw/zinc/08/26/09/388082609.db2.gz IYJYBUGWARXWTJ-SNVBAGLBSA-N 1 3 236.381 0.384 20 0 BCADHO CCCN(CC(=O)OC)CC1CC[NH2+]CC1 ZINC000086703354 388107045 /nfs/dbraw/zinc/10/70/45/388107045.db2.gz RUDVVAYCXYNYCC-UHFFFAOYSA-N 1 3 228.336 0.871 20 0 BCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(N)CC1 ZINC000086932248 388111606 /nfs/dbraw/zinc/11/16/06/388111606.db2.gz ZVOCTAMAILZKJN-NXEZZACHSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(N)CC1 ZINC000086932248 388111607 /nfs/dbraw/zinc/11/16/07/388111607.db2.gz ZVOCTAMAILZKJN-NXEZZACHSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222570 388167741 /nfs/dbraw/zinc/16/77/41/388167741.db2.gz JGZAJBDQCINXRV-ONGXEEELSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](NC(=O)C1(N)CCC1)C(C)(C)C[NH+](C)C ZINC000449362796 388182709 /nfs/dbraw/zinc/18/27/09/388182709.db2.gz KZXOEIHGGCLFFL-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)CC(C)(C)[NH3+] ZINC000646070709 388137027 /nfs/dbraw/zinc/13/70/27/388137027.db2.gz KTBMNYFTNPNLAK-WDEREUQCSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN(C)C1CC1 ZINC000449102829 388142745 /nfs/dbraw/zinc/14/27/45/388142745.db2.gz LUZHRFXVVBLWKK-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO COC(=O)COC[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000449106816 388144068 /nfs/dbraw/zinc/14/40/68/388144068.db2.gz JZWXDYDGGDPWSQ-WDEREUQCSA-N 1 3 246.351 0.494 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000449117460 388144356 /nfs/dbraw/zinc/14/43/56/388144356.db2.gz UPHDAANRDIVGGQ-KXUCPTDWSA-N 1 3 225.336 0.336 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN(C)CC ZINC000449120237 388145208 /nfs/dbraw/zinc/14/52/08/388145208.db2.gz CJYSRRKYMYLQGG-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@H](N(C)C)C1 ZINC000449118537 388145505 /nfs/dbraw/zinc/14/55/05/388145505.db2.gz SNYWYTCHVYZCBV-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000449123961 388145567 /nfs/dbraw/zinc/14/55/67/388145567.db2.gz ORBZILNQLOPXII-NHCYSSNCSA-N 1 3 239.363 0.761 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000449118680 388145666 /nfs/dbraw/zinc/14/56/66/388145666.db2.gz ZCIRDJVBDBJDNI-GARJFASQSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000449179718 388154201 /nfs/dbraw/zinc/15/42/01/388154201.db2.gz WOGZAPKQANRIEJ-UTLUCORTSA-N 1 3 225.336 0.336 20 0 BCADHO CCC[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449673459 388251601 /nfs/dbraw/zinc/25/16/01/388251601.db2.gz ZRSMBPMSVGXNRY-VIFPVBQESA-N 1 3 213.325 0.454 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646313176 388203099 /nfs/dbraw/zinc/20/30/99/388203099.db2.gz XGFYHMPOYAITNJ-YPMHNXCESA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000449490520 388217562 /nfs/dbraw/zinc/21/75/62/388217562.db2.gz CFJGVFYPENGYGB-VPOLOUISSA-N 1 3 225.336 0.051 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000449505910 388218173 /nfs/dbraw/zinc/21/81/73/388218173.db2.gz ZOQHRUFGIQLVQO-UTLUCORTSA-N 1 3 225.336 0.336 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000449503218 388219597 /nfs/dbraw/zinc/21/95/97/388219597.db2.gz XLYYMZOPVAOXNF-ATZCPNFKSA-N 1 3 225.336 0.384 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000489541928 388220723 /nfs/dbraw/zinc/22/07/23/388220723.db2.gz CDTSNXIOCGSFLA-WDEREUQCSA-N 1 3 229.368 0.802 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570416 388236161 /nfs/dbraw/zinc/23/61/61/388236161.db2.gz JKNLJHFZFNOXAN-HKLXJQGRSA-N 1 3 237.347 0.193 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449599736 388239986 /nfs/dbraw/zinc/23/99/86/388239986.db2.gz HRVNKSKRYZKYNB-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C1(N)CCCCC1 ZINC000449602031 388240002 /nfs/dbraw/zinc/24/00/02/388240002.db2.gz SMXVMLSTKHXBBW-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])N(C)C ZINC000449605906 388240497 /nfs/dbraw/zinc/24/04/97/388240497.db2.gz XHKGTFPDGFIANV-BBBLOLIVSA-N 1 3 215.341 0.425 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H]([NH3+])CC ZINC000449605357 388240542 /nfs/dbraw/zinc/24/05/42/388240542.db2.gz ZEOJTKWURORHQU-PSASIEDQSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@H]1CC[C@@H](CN2CCC(O)(C[NH3+])CC2)O1 ZINC000397060935 388284440 /nfs/dbraw/zinc/28/44/40/388284440.db2.gz PTZOEYHMWBUPKB-QWRGUYRKSA-N 1 3 228.336 0.340 20 0 BCADHO CN(C)C/C=C\C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000491636834 388307222 /nfs/dbraw/zinc/30/72/22/388307222.db2.gz HWEIWKYPJBKFAG-XYLWRLHESA-N 1 3 239.363 0.657 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491845207 388324544 /nfs/dbraw/zinc/32/45/44/388324544.db2.gz JSPNEYNCADRAJC-FYJFLYSWSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000491864694 388325136 /nfs/dbraw/zinc/32/51/36/388325136.db2.gz GSCSVKGKAKYIRE-FYJFLYSWSA-N 1 3 239.363 0.561 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491881096 388325844 /nfs/dbraw/zinc/32/58/44/388325844.db2.gz GCQIPPNYIBUJQC-QDZRJHCZSA-N 1 3 241.379 0.951 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491881096 388325845 /nfs/dbraw/zinc/32/58/45/388325845.db2.gz GCQIPPNYIBUJQC-QDZRJHCZSA-N 1 3 241.379 0.951 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491881089 388326234 /nfs/dbraw/zinc/32/62/34/388326234.db2.gz GCQIPPNYIBUJQC-ABZNLYFFSA-N 1 3 241.379 0.951 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491881089 388326235 /nfs/dbraw/zinc/32/62/35/388326235.db2.gz GCQIPPNYIBUJQC-ABZNLYFFSA-N 1 3 241.379 0.951 20 0 BCADHO CC(C)[N@H+](C)CCCNC(=O)/C=C\CN(C)C ZINC000491892495 388326438 /nfs/dbraw/zinc/32/64/38/388326438.db2.gz LSFCINSAUCTXRW-VURMDHGXSA-N 1 3 241.379 0.951 20 0 BCADHO CC(C)[N@@H+](C)CCCNC(=O)/C=C\CN(C)C ZINC000491892495 388326439 /nfs/dbraw/zinc/32/64/39/388326439.db2.gz LSFCINSAUCTXRW-VURMDHGXSA-N 1 3 241.379 0.951 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491890736 388326462 /nfs/dbraw/zinc/32/64/62/388326462.db2.gz IBMKDPPDSQSSHG-JMEBYUIHSA-N 1 3 227.352 0.561 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491896251 388326698 /nfs/dbraw/zinc/32/66/98/388326698.db2.gz YYQMUOAXXSFCTC-FPLPWBNLSA-N 1 3 241.379 0.952 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)/C=C\CN(C)C ZINC000491896251 388326699 /nfs/dbraw/zinc/32/66/99/388326699.db2.gz YYQMUOAXXSFCTC-FPLPWBNLSA-N 1 3 241.379 0.952 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)/C=C\CN(C)C)C1 ZINC000491913630 388327759 /nfs/dbraw/zinc/32/77/59/388327759.db2.gz LSIKQQIYEQHZTB-QMAVJUDZSA-N 1 3 239.363 0.562 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)/C=C\CN(C)C)C1 ZINC000491913630 388327760 /nfs/dbraw/zinc/32/77/60/388327760.db2.gz LSIKQQIYEQHZTB-QMAVJUDZSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C/C(=O)NCC1([NH+](C)C)CCC1 ZINC000491976518 388330267 /nfs/dbraw/zinc/33/02/67/388330267.db2.gz NDECPRLCPHCWQQ-FNORWQNLSA-N 1 3 239.363 0.705 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336314 388262602 /nfs/dbraw/zinc/26/26/02/388262602.db2.gz NQAQQKDDOVQAEF-OUAUKWLOSA-N 1 3 237.347 0.195 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)/C=C\CN(C)C ZINC000491996789 388331033 /nfs/dbraw/zinc/33/10/33/388331033.db2.gz YNXCXEDQWVIMOI-CLFYSBASSA-N 1 3 241.379 0.904 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H](C)[NH3+] ZINC000645953096 388268324 /nfs/dbraw/zinc/26/83/24/388268324.db2.gz ANFHBZVGXMIKGG-JFGNBEQYSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953518 388268991 /nfs/dbraw/zinc/26/89/91/388268991.db2.gz XUCCSJLGMZCWON-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645953238 388269441 /nfs/dbraw/zinc/26/94/41/388269441.db2.gz KTQCAYYXICGKOY-NWDGAFQWSA-N 1 3 237.347 0.339 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953260 388269540 /nfs/dbraw/zinc/26/95/40/388269540.db2.gz LTUOUDKUWWOSLC-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953260 388269542 /nfs/dbraw/zinc/26/95/42/388269542.db2.gz LTUOUDKUWWOSLC-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953261 388269550 /nfs/dbraw/zinc/26/95/50/388269550.db2.gz LTUOUDKUWWOSLC-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953261 388269553 /nfs/dbraw/zinc/26/95/53/388269553.db2.gz LTUOUDKUWWOSLC-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO NC1(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000516563070 388348478 /nfs/dbraw/zinc/34/84/78/388348478.db2.gz QYWQKJHATOOQDX-VIFPVBQESA-N 1 3 211.309 0.111 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N(C)C ZINC000646427182 388356954 /nfs/dbraw/zinc/35/69/54/388356954.db2.gz RIRUIVRHMCKNTE-BDAKNGLRSA-N 1 3 213.325 0.051 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N(C)C ZINC000646427184 388357470 /nfs/dbraw/zinc/35/74/70/388357470.db2.gz RIRUIVRHMCKNTE-IUCAKERBSA-N 1 3 213.325 0.051 20 0 BCADHO COC[C@H](O)CNC1CC[NH+](C2CCC2)CC1 ZINC000572714330 388369885 /nfs/dbraw/zinc/36/98/85/388369885.db2.gz FADXMGILWHBKCN-CYBMUJFWSA-N 1 3 242.363 0.600 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000646533962 388377125 /nfs/dbraw/zinc/37/71/25/388377125.db2.gz ZDFGMQFOYRWBCF-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)C1(N)CC1 ZINC000236710988 388382568 /nfs/dbraw/zinc/38/25/68/388382568.db2.gz HBMWYEPHDBDLQT-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)C1(N)CC1 ZINC000236710988 388382569 /nfs/dbraw/zinc/38/25/69/388382569.db2.gz HBMWYEPHDBDLQT-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCN(C2CC2)CC1 ZINC000572878677 388382796 /nfs/dbraw/zinc/38/27/96/388382796.db2.gz YAKHSRVOYOYFTE-ITGUQSILSA-N 1 3 249.358 0.195 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236716538 388382858 /nfs/dbraw/zinc/38/28/58/388382858.db2.gz QCMZNZXZPLOVAQ-ZJUUUORDSA-N 1 3 213.325 0.167 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000236912234 388386261 /nfs/dbraw/zinc/38/62/61/388386261.db2.gz LUXVWMSKEUONJL-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000236912234 388386262 /nfs/dbraw/zinc/38/62/62/388386262.db2.gz LUXVWMSKEUONJL-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO NCc1cccc(NC(=O)COCC[NH3+])c1 ZINC000646579489 388388692 /nfs/dbraw/zinc/38/86/92/388388692.db2.gz XYJRNWYLNXCPAP-UHFFFAOYSA-N 1 3 223.276 0.059 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)C[C@@H]2CNCCO2)c1 ZINC000646579515 388388898 /nfs/dbraw/zinc/38/88/98/388388898.db2.gz YTEQNUUYRGXVAM-GFCCVEGCSA-N 1 3 249.314 0.462 20 0 BCADHO CO[C@H]1CN(CCOCC[NH3+])CC[C@H]1C ZINC000261530530 135158066 /nfs/dbraw/zinc/15/80/66/135158066.db2.gz CQEFDPHIXYKQNH-MNOVXSKESA-N 1 3 216.325 0.319 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)CNC2CC2)c1 ZINC000646580612 388389753 /nfs/dbraw/zinc/38/97/53/388389753.db2.gz HGDAXUXLOUAMTR-UHFFFAOYSA-N 1 3 219.288 0.836 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)C1(N)CCCCC1 ZINC000237275742 388392732 /nfs/dbraw/zinc/39/27/32/388392732.db2.gz ZNXSWNLTKHWJFE-SNVBAGLBSA-N 1 3 227.352 0.620 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237401166 388393731 /nfs/dbraw/zinc/39/37/31/388393731.db2.gz GOELIICOPAXDHI-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237401166 388393734 /nfs/dbraw/zinc/39/37/34/388393734.db2.gz GOELIICOPAXDHI-OUAUKWLOSA-N 1 3 227.352 0.570 20 0 BCADHO NC1(C(=O)N2CC[C@H]([NH3+])C2)CCCCC1 ZINC000237918073 388399663 /nfs/dbraw/zinc/39/96/63/388399663.db2.gz BISYTNDKQMQWPM-VIFPVBQESA-N 1 3 211.309 0.208 20 0 BCADHO NC1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000646650548 388402544 /nfs/dbraw/zinc/40/25/44/388402544.db2.gz BSCOBAOEESLXOT-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO CC(C)[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000394058193 388450070 /nfs/dbraw/zinc/45/00/70/388450070.db2.gz VLDJYCVHYJGMTE-SRVKXCTJSA-N 1 3 214.353 0.968 20 0 BCADHO CCN(CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336698857 388464485 /nfs/dbraw/zinc/46/44/85/388464485.db2.gz WAEPAEUXYWVXLB-NSHDSACASA-N 1 3 200.326 0.783 20 0 BCADHO CCN(CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336698857 388464486 /nfs/dbraw/zinc/46/44/86/388464486.db2.gz WAEPAEUXYWVXLB-NSHDSACASA-N 1 3 200.326 0.783 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316148303 388407206 /nfs/dbraw/zinc/40/72/06/388407206.db2.gz JIHDYACTXZGIPE-SRVKXCTJSA-N 1 3 212.337 0.864 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000166025001 388416197 /nfs/dbraw/zinc/41/61/97/388416197.db2.gz XZJXJPHWHVAZMN-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000166025001 388416198 /nfs/dbraw/zinc/41/61/98/388416198.db2.gz XZJXJPHWHVAZMN-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@@H](N)c1ccccc1 ZINC000646697069 388418948 /nfs/dbraw/zinc/41/89/48/388418948.db2.gz UVDGVVURZACQBX-MWLCHTKSSA-N 1 3 221.304 0.540 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)NC[C@@H](N)c1ccccc1 ZINC000646696950 388418962 /nfs/dbraw/zinc/41/89/62/388418962.db2.gz DIIJORWHPYAESR-NEPJUHHUSA-N 1 3 247.342 0.801 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCOC[C@@H]2CCCO2)C1 ZINC000573121499 388421950 /nfs/dbraw/zinc/42/19/50/388421950.db2.gz FYNXSOZNDSTJRC-XQQFMLRXSA-N 1 3 242.363 0.851 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000646713326 388426971 /nfs/dbraw/zinc/42/69/71/388426971.db2.gz GFXLNBHORBDESS-VHSXEESVSA-N 1 3 225.336 0.052 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CC[C@H]2CCNC2=O)C1 ZINC000573164748 388428144 /nfs/dbraw/zinc/42/81/44/388428144.db2.gz XBQXINRRESWEGQ-VXGBXAGGSA-N 1 3 239.363 0.396 20 0 BCADHO N[C@H]1C[C@@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220607 388434084 /nfs/dbraw/zinc/43/40/84/388434084.db2.gz HACRXBOHSUZUSF-MNOVXSKESA-N 1 3 223.320 0.030 20 0 BCADHO N[C@H]1C[C@@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220607 388434085 /nfs/dbraw/zinc/43/40/85/388434085.db2.gz HACRXBOHSUZUSF-MNOVXSKESA-N 1 3 223.320 0.030 20 0 BCADHO CNC[C@](C)(O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000517159465 388539306 /nfs/dbraw/zinc/53/93/06/388539306.db2.gz ROBTUSQIKMGOIE-UTUOFQBUSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000517139844 388540106 /nfs/dbraw/zinc/54/01/06/388540106.db2.gz KNOGCDBRFPOZQI-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000516465368 256777273 /nfs/dbraw/zinc/77/72/73/256777273.db2.gz SWVFLCPDGMCZAQ-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517233423 388543406 /nfs/dbraw/zinc/54/34/06/388543406.db2.gz PNWQTRADPKNUHF-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000517237602 388544425 /nfs/dbraw/zinc/54/44/25/388544425.db2.gz LUBVXIOENXRJSC-GUBZILKMSA-N 1 3 215.341 0.602 20 0 BCADHO C[NH2+][C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000517246425 388545837 /nfs/dbraw/zinc/54/58/37/388545837.db2.gz VUFJITSQAUBIQQ-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CC[C@H]1[NH3+] ZINC000646762918 388486480 /nfs/dbraw/zinc/48/64/80/388486480.db2.gz DSBMWTKFGSZUGQ-BBBLOLIVSA-N 1 3 225.336 0.180 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340251425 388489099 /nfs/dbraw/zinc/48/90/99/388489099.db2.gz PYSVOUVPWQBAAK-LLVKDONJSA-N 1 3 242.363 0.600 20 0 BCADHO CN1CCC(O)(C[NH2+]Cc2ccncc2)CC1 ZINC000344535060 388507074 /nfs/dbraw/zinc/50/70/74/388507074.db2.gz SOZBDPMOFZMTQL-UHFFFAOYSA-N 1 3 235.331 0.628 20 0 BCADHO CN1CCC(O)(C[NH2+]Cc2cccnc2)CC1 ZINC000344552362 388507532 /nfs/dbraw/zinc/50/75/32/388507532.db2.gz NHTOWYNOTYXRQP-UHFFFAOYSA-N 1 3 235.331 0.628 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000516928147 388509975 /nfs/dbraw/zinc/50/99/75/388509975.db2.gz IXYAIAJZNQOBPT-PWSUYJOCSA-N 1 3 225.336 0.326 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H]1NCC1(C)C ZINC000646798047 388510400 /nfs/dbraw/zinc/51/04/00/388510400.db2.gz WYJIWONOFZXVHZ-SECBINFHSA-N 1 3 227.352 0.618 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@H](COC)C1CC1 ZINC000397968755 388513252 /nfs/dbraw/zinc/51/32/52/388513252.db2.gz SGRFIWIYLUOFDO-MWLCHTKSSA-N 1 3 200.326 0.857 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)NCCN1CCCC1 ZINC000649280651 388514540 /nfs/dbraw/zinc/51/45/40/388514540.db2.gz BOPFWFLMJAAATI-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO NC1(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000516866308 388521555 /nfs/dbraw/zinc/52/15/55/388521555.db2.gz MYVGWXVOCDJXFC-GARJFASQSA-N 1 3 237.347 0.454 20 0 BCADHO C[NH2+][C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000517246427 256821795 /nfs/dbraw/zinc/82/17/95/256821795.db2.gz VUFJITSQAUBIQQ-VWYCJHECSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC(C)(C)CN(C)C ZINC000516925952 388525048 /nfs/dbraw/zinc/52/50/48/388525048.db2.gz PEJNQHDSPLJBDE-VHSXEESVSA-N 1 3 244.383 0.752 20 0 BCADHO COC[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593436 388532615 /nfs/dbraw/zinc/53/26/15/388532615.db2.gz NUIIRCAKUODQTP-OLZOCXBDSA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593436 388532618 /nfs/dbraw/zinc/53/26/18/388532618.db2.gz NUIIRCAKUODQTP-OLZOCXBDSA-N 1 3 242.363 0.456 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649284611 388533777 /nfs/dbraw/zinc/53/37/77/388533777.db2.gz KNXHOSJWCVXASH-ITGUQSILSA-N 1 3 249.358 0.195 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@H+](CC(C)(C)N)C1 ZINC000261576325 135217627 /nfs/dbraw/zinc/21/76/27/135217627.db2.gz KGULJSJDXRVCPU-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)N)C1 ZINC000261576325 135217628 /nfs/dbraw/zinc/21/76/28/135217628.db2.gz KGULJSJDXRVCPU-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CNCCC1(F)F)[NH+](C)C ZINC000649306075 388590873 /nfs/dbraw/zinc/59/08/73/388590873.db2.gz YTKKHKVKNUXPHT-DTWKUNHWSA-N 1 3 249.305 0.298 20 0 BCADHO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](N2CCCC2)C1 ZINC000649316899 388607634 /nfs/dbraw/zinc/60/76/34/388607634.db2.gz YAXSTOQLAZETME-NDBYEHHHSA-N 1 3 249.358 0.149 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528602175 388550951 /nfs/dbraw/zinc/55/09/51/388550951.db2.gz GMOBJLIHJJZRCE-RWMBFGLXSA-N 1 3 242.363 0.003 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528602175 388550954 /nfs/dbraw/zinc/55/09/54/388550954.db2.gz GMOBJLIHJJZRCE-RWMBFGLXSA-N 1 3 242.363 0.003 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528602168 388551164 /nfs/dbraw/zinc/55/11/64/388551164.db2.gz GMOBJLIHJJZRCE-AVGNSLFASA-N 1 3 242.363 0.003 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1C[C@@H](CO)[C@H](CO)C1 ZINC000528602168 388551166 /nfs/dbraw/zinc/55/11/66/388551166.db2.gz GMOBJLIHJJZRCE-AVGNSLFASA-N 1 3 242.363 0.003 20 0 BCADHO Cc1noc(CCN[C@@H]2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000358021483 388552980 /nfs/dbraw/zinc/55/29/80/388552980.db2.gz HPKRINVWULLNNM-GXSJLCMTSA-N 1 3 238.335 0.850 20 0 BCADHO Cc1noc(CCN[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000358021483 388552984 /nfs/dbraw/zinc/55/29/84/388552984.db2.gz HPKRINVWULLNNM-GXSJLCMTSA-N 1 3 238.335 0.850 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000517569946 388554837 /nfs/dbraw/zinc/55/48/37/388554837.db2.gz UANWWOIDDRHIRD-IUCAKERBSA-N 1 3 249.305 0.603 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000646823376 388558501 /nfs/dbraw/zinc/55/85/01/388558501.db2.gz ZOJVHKVWTZXQHU-MNOVXSKESA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365094233 388564191 /nfs/dbraw/zinc/56/41/91/388564191.db2.gz NPGSRABAVLCKOQ-KKZNHRDASA-N 1 3 211.309 0.064 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000517719693 256831978 /nfs/dbraw/zinc/83/19/78/256831978.db2.gz NOENOZRQFNTTDO-GRYCIOLGSA-N 1 3 239.363 0.490 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000261574120 135216122 /nfs/dbraw/zinc/21/61/22/135216122.db2.gz JCEYGDHVYGEZGS-GXSJLCMTSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000522000044 388673634 /nfs/dbraw/zinc/67/36/34/388673634.db2.gz GEJBZDPPFJXRJH-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000521998456 388673817 /nfs/dbraw/zinc/67/38/17/388673817.db2.gz LCLPJHNWUPHCFO-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000521998458 388674207 /nfs/dbraw/zinc/67/42/07/388674207.db2.gz LCLPJHNWUPHCFO-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418250530 388675370 /nfs/dbraw/zinc/67/53/70/388675370.db2.gz HEUYZFDSWCDIII-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)CCO)[C@@H](C)C1 ZINC000246418455 388635749 /nfs/dbraw/zinc/63/57/49/388635749.db2.gz BPXTWNGHMULXLK-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)CCO)[C@@H](C)C1 ZINC000246418455 388635750 /nfs/dbraw/zinc/63/57/50/388635750.db2.gz BPXTWNGHMULXLK-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCCCN1 ZINC000521876951 388638679 /nfs/dbraw/zinc/63/86/79/388638679.db2.gz LKEHTVMRNSYUIF-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000246726836 388650681 /nfs/dbraw/zinc/65/06/81/388650681.db2.gz XZJXJPHWHVAZMN-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000246726836 388650685 /nfs/dbraw/zinc/65/06/85/388650685.db2.gz XZJXJPHWHVAZMN-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(C)[C@H](C)C2)n1 ZINC000329310762 388650752 /nfs/dbraw/zinc/65/07/52/388650752.db2.gz FWYKQMIUOKSLGE-MWLCHTKSSA-N 1 3 237.351 0.728 20 0 BCADHO C[C@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128299629 388745541 /nfs/dbraw/zinc/74/55/41/388745541.db2.gz HHRVXZNVTQOLSG-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@@H](NCCNC(=O)C2CC2)CC[N@H+]1C ZINC000128299629 388745543 /nfs/dbraw/zinc/74/55/43/388745543.db2.gz HHRVXZNVTQOLSG-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342745127 135310512 /nfs/dbraw/zinc/31/05/12/135310512.db2.gz UNTJIRDDQZZKPR-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226439038 388719426 /nfs/dbraw/zinc/71/94/26/388719426.db2.gz WENUDZNARJNPJO-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCCNC1 ZINC000226439038 388719428 /nfs/dbraw/zinc/71/94/28/388719428.db2.gz WENUDZNARJNPJO-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CN(C[C@@H]1CCOC1)C[C@@H]1CCC[NH2+]C1 ZINC000226439038 388719431 /nfs/dbraw/zinc/71/94/31/388719431.db2.gz WENUDZNARJNPJO-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000068195923 388765882 /nfs/dbraw/zinc/76/58/82/388765882.db2.gz XZBSWCNZJLWMAF-LLVKDONJSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000068195923 388765886 /nfs/dbraw/zinc/76/58/86/388765886.db2.gz XZBSWCNZJLWMAF-LLVKDONJSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(C)CC1 ZINC000092950443 388822833 /nfs/dbraw/zinc/82/28/33/388822833.db2.gz WQNYABZGDYUFAR-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000129665902 388862436 /nfs/dbraw/zinc/86/24/36/388862436.db2.gz JPVPTDULKZAAKY-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000129665902 388862439 /nfs/dbraw/zinc/86/24/39/388862439.db2.gz JPVPTDULKZAAKY-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO N[C@H](C(=O)N1CCC([NH3+])CC1)C1CCC1 ZINC000564796370 388889667 /nfs/dbraw/zinc/88/96/67/388889667.db2.gz FQTXXYTXDVIFPE-JTQLQIEISA-N 1 3 211.309 0.064 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000194843982 388894687 /nfs/dbraw/zinc/89/46/87/388894687.db2.gz APUVODWXZCWDDP-SNVBAGLBSA-N 1 3 235.331 0.825 20 0 BCADHO CCN(CC1CC1)C[C@@](C)(O)C[NH2+]C ZINC000565095785 388913998 /nfs/dbraw/zinc/91/39/98/388913998.db2.gz RSXHRLVMHHIILI-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000565212842 388926636 /nfs/dbraw/zinc/92/66/36/388926636.db2.gz JMAOTYHMUCUKDL-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN(C)Cc1ccccc1 ZINC000262464843 388934592 /nfs/dbraw/zinc/93/45/92/388934592.db2.gz XRDMIBPVUHZWSH-LBPRGKRZSA-N 1 3 249.358 0.829 20 0 BCADHO Cc1noc(CCC[N@H+](C)C2CCNCC2)n1 ZINC000564988151 388905016 /nfs/dbraw/zinc/90/50/16/388905016.db2.gz RYLAOEPFNDQVQP-UHFFFAOYSA-N 1 3 238.335 0.994 20 0 BCADHO Cc1noc(CCC[N@@H+](C)C2CCNCC2)n1 ZINC000564988151 388905013 /nfs/dbraw/zinc/90/50/13/388905013.db2.gz RYLAOEPFNDQVQP-UHFFFAOYSA-N 1 3 238.335 0.994 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(C)(COC)CC1 ZINC000565367795 388940032 /nfs/dbraw/zinc/94/00/32/388940032.db2.gz ISKMQIBBLQDFBB-CYBMUJFWSA-N 1 3 244.379 0.705 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC(C)(COC)CC1 ZINC000565367795 388940030 /nfs/dbraw/zinc/94/00/30/388940030.db2.gz ISKMQIBBLQDFBB-CYBMUJFWSA-N 1 3 244.379 0.705 20 0 BCADHO CCCCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000565477413 388947703 /nfs/dbraw/zinc/94/77/03/388947703.db2.gz FIYSOIYFVVDKHB-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC1(C[NH3+])CC1 ZINC000565542185 388952156 /nfs/dbraw/zinc/95/21/56/388952156.db2.gz CVJVKAFZHGBYSV-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)cn1 ZINC000271768615 389023662 /nfs/dbraw/zinc/02/36/62/389023662.db2.gz BCORHOLYLRWALT-UHFFFAOYSA-N 1 3 220.320 0.772 20 0 BCADHO Cn1cc(CNCC2=CC[N@H+](C)CC2)cn1 ZINC000271768615 389023657 /nfs/dbraw/zinc/02/36/57/389023657.db2.gz BCORHOLYLRWALT-UHFFFAOYSA-N 1 3 220.320 0.772 20 0 BCADHO C([C@H]1CCOC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669136 533376699 /nfs/dbraw/zinc/37/66/99/533376699.db2.gz HZNBWYBUTHUGRT-NEPJUHHUSA-N 1 3 210.321 0.708 20 0 BCADHO C[C@@H](NCCN1CCCC1)[C@H]1CCC[NH2+]1 ZINC000400674415 533394670 /nfs/dbraw/zinc/39/46/70/533394670.db2.gz VGOVPHBXTGKIBL-VXGBXAGGSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)C1CCN(C)CC1 ZINC000495114967 533531309 /nfs/dbraw/zinc/53/13/09/533531309.db2.gz CXPMMCPHJLCAHB-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335417549 133860946 /nfs/dbraw/zinc/86/09/46/133860946.db2.gz NLQJOQNGYHPHIM-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO NC(C(=O)N1CCC(C[NH3+])CC1)C(F)(F)F ZINC000336003944 134048454 /nfs/dbraw/zinc/04/84/54/134048454.db2.gz CPBDADZPOBGRPB-SSDOTTSWSA-N 1 3 239.241 0.073 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000336004270 134048528 /nfs/dbraw/zinc/04/85/28/134048528.db2.gz QDESBHKSVFOERX-GXSJLCMTSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCCCC1 ZINC000336103574 134084067 /nfs/dbraw/zinc/08/40/67/134084067.db2.gz KQTYALODUYBDFA-GHMZBOCLSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1CN(C(=O)C2([NH3+])CCC2)C[C@@H](C)N1 ZINC000336214412 134136175 /nfs/dbraw/zinc/13/61/75/134136175.db2.gz NUVPZMLHWLSMDV-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CN ZINC000168188763 134156587 /nfs/dbraw/zinc/15/65/87/134156587.db2.gz LVPZPOVTFMCQDN-CHWFTXMASA-N 1 3 212.337 0.863 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000168188763 134156588 /nfs/dbraw/zinc/15/65/88/134156588.db2.gz LVPZPOVTFMCQDN-CHWFTXMASA-N 1 3 212.337 0.863 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000085012743 134221641 /nfs/dbraw/zinc/22/16/41/134221641.db2.gz DMBJQQZIYCDRBZ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000169030758 134248832 /nfs/dbraw/zinc/24/88/32/134248832.db2.gz VTBDKBMVOKAFRD-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000169240571 134250153 /nfs/dbraw/zinc/25/01/53/134250153.db2.gz YJXOSNHSJGBXNI-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[NH2+]2)CCCC1 ZINC000178406583 134309962 /nfs/dbraw/zinc/30/99/62/134309962.db2.gz JXFWVTFRBQWMPB-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000178408612 134310206 /nfs/dbraw/zinc/31/02/06/134310206.db2.gz BFNGDJMMEZNFHK-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000178787367 134311193 /nfs/dbraw/zinc/31/11/93/134311193.db2.gz NZTVQCGOEPMKJI-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178707707 134313297 /nfs/dbraw/zinc/31/32/97/134313297.db2.gz XFGHGZNCECXSTK-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CCN(CC)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178807114 134315403 /nfs/dbraw/zinc/31/54/03/134315403.db2.gz FTORPNIUFBEDBG-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)CCC[NH3+])CCN1C ZINC000178816112 134315465 /nfs/dbraw/zinc/31/54/65/134315465.db2.gz SMDSNDWVJDQHSV-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223730668 134339069 /nfs/dbraw/zinc/33/90/69/134339069.db2.gz NBQQTYNYGSKULV-GARJFASQSA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223730668 134339070 /nfs/dbraw/zinc/33/90/70/134339070.db2.gz NBQQTYNYGSKULV-GARJFASQSA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223730609 134339191 /nfs/dbraw/zinc/33/91/91/134339191.db2.gz NBQQTYNYGSKULV-HBNTYKKESA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223730609 134339192 /nfs/dbraw/zinc/33/91/92/134339192.db2.gz NBQQTYNYGSKULV-HBNTYKKESA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@H](O)CCNC1CC[NH+](C(C)C)CC1 ZINC000227877237 134391600 /nfs/dbraw/zinc/39/16/00/134391600.db2.gz ZMECBEZAELZLLF-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972291 134464172 /nfs/dbraw/zinc/46/41/72/134464172.db2.gz VJWQHOQVGHCDCY-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559666 134634425 /nfs/dbraw/zinc/63/44/25/134634425.db2.gz RJCWQZRYXUGVFG-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248665838 135018798 /nfs/dbraw/zinc/01/87/98/135018798.db2.gz WIUINXFEVXUODW-MMWGEVLESA-N 1 3 225.336 0.310 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251388374 135071670 /nfs/dbraw/zinc/07/16/70/135071670.db2.gz SVFVKHKJNNADDZ-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000251388374 135071673 /nfs/dbraw/zinc/07/16/73/135071673.db2.gz SVFVKHKJNNADDZ-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000238063314 135073761 /nfs/dbraw/zinc/07/37/61/135073761.db2.gz XYQHIHFTDKEOQI-QWRGUYRKSA-N 1 3 225.336 0.326 20 0 BCADHO CN(CCOCC[NH3+])C[C@@H]1CCCO1 ZINC000086435485 135084087 /nfs/dbraw/zinc/08/40/87/135084087.db2.gz FPCSNFNSLCETJF-JTQLQIEISA-N 1 3 202.298 0.073 20 0 BCADHO CC(C)CN1CCN(CCOCC[NH3+])CC1 ZINC000086435693 135084223 /nfs/dbraw/zinc/08/42/23/135084223.db2.gz OQGFQFJPQJBOQW-UHFFFAOYSA-N 1 3 229.368 0.235 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCOCC12CC2 ZINC000261532343 135109044 /nfs/dbraw/zinc/10/90/44/135109044.db2.gz AGXGUNSWIUEKIP-UHFFFAOYSA-N 1 3 210.321 0.851 20 0 BCADHO CCC[C@@H]1CN(CC[NH3+])CCN1CCOC ZINC000261568719 135110451 /nfs/dbraw/zinc/11/04/51/135110451.db2.gz FUDDCQGKBDRDKZ-GFCCVEGCSA-N 1 3 229.368 0.378 20 0 BCADHO C(C1CC1)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000257727220 135141225 /nfs/dbraw/zinc/14/12/25/135141225.db2.gz QLBRLKOBZIZWMU-GFCCVEGCSA-N 1 3 209.337 0.376 20 0 BCADHO C(C1CC1)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000257727220 135141227 /nfs/dbraw/zinc/14/12/27/135141227.db2.gz QLBRLKOBZIZWMU-GFCCVEGCSA-N 1 3 209.337 0.376 20 0 BCADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)CN ZINC000261294431 135150626 /nfs/dbraw/zinc/15/06/26/135150626.db2.gz SUZKZFIPYJKDMC-JQWIXIFHSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CN ZINC000261294431 135150628 /nfs/dbraw/zinc/15/06/28/135150628.db2.gz SUZKZFIPYJKDMC-JQWIXIFHSA-N 1 3 208.305 0.999 20 0 BCADHO CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261533450 135164872 /nfs/dbraw/zinc/16/48/72/135164872.db2.gz BAGOVGAEKNFATB-IJLUTSLNSA-N 1 3 212.337 0.689 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261534532 135167767 /nfs/dbraw/zinc/16/77/67/135167767.db2.gz RVQQMYVYWKRONE-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)[NH3+] ZINC000261536827 135173347 /nfs/dbraw/zinc/17/33/47/135173347.db2.gz TWKJCGDIAOIBMA-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261539075 135176883 /nfs/dbraw/zinc/17/68/83/135176883.db2.gz BMFLYMBNADSPFX-XKNYDFJKSA-N 1 3 213.325 0.179 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CCCN2C)C1 ZINC000261540143 135179632 /nfs/dbraw/zinc/17/96/32/135179632.db2.gz DWKWFORBWOYJLU-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261541550 135181726 /nfs/dbraw/zinc/18/17/26/135181726.db2.gz BHQAISVPGMWZLQ-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1COCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261545079 135186548 /nfs/dbraw/zinc/18/65/48/135186548.db2.gz JOKKITZUDDUNRA-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC1([NH3+])CCC1 ZINC000261549705 135188203 /nfs/dbraw/zinc/18/82/03/135188203.db2.gz PBRWSMIVJMSTBW-JTQLQIEISA-N 1 3 213.325 0.502 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000084221026 135193855 /nfs/dbraw/zinc/19/38/55/135193855.db2.gz ABQALDPPKGBVKO-LOWVWBTDSA-N 1 3 223.364 0.940 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000261555490 135195435 /nfs/dbraw/zinc/19/54/35/135195435.db2.gz VBTPBPFKXVDSAC-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000261555490 135195437 /nfs/dbraw/zinc/19/54/37/135195437.db2.gz VBTPBPFKXVDSAC-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCCN1 ZINC000261562316 135203718 /nfs/dbraw/zinc/20/37/18/135203718.db2.gz BFNXYOQBTDZJRA-GUBZILKMSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]([NH3+])CN1CCNCc2ccccc21 ZINC000261568451 135210171 /nfs/dbraw/zinc/21/01/71/135210171.db2.gz FPXFFDCTRMFPHF-SNVBAGLBSA-N 1 3 205.305 0.943 20 0 BCADHO C[C@H]([NH3+])C1CCN(CCn2cncn2)CC1 ZINC000261583806 135224772 /nfs/dbraw/zinc/22/47/72/135224772.db2.gz PFPXUSZAGHOZSN-JTQLQIEISA-N 1 3 223.324 0.337 20 0 BCADHO [NH3+]C1(CNC(=O)[C@H]2CCCCN2)CCC1 ZINC000261588890 135229533 /nfs/dbraw/zinc/22/95/33/135229533.db2.gz SSLGLXJBIBEOFB-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO COC(=O)C(C)(C)CN[C@H]1CCC[NH2+]CC1 ZINC000261595396 135235011 /nfs/dbraw/zinc/23/50/11/135235011.db2.gz YBEXZBUGZLAQBH-JTQLQIEISA-N 1 3 228.336 0.917 20 0 BCADHO COC(=O)C(C)(C)CN[C@@H]1CCC[NH2+]CC1 ZINC000261595397 135235154 /nfs/dbraw/zinc/23/51/54/135235154.db2.gz YBEXZBUGZLAQBH-SNVBAGLBSA-N 1 3 228.336 0.917 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261597530 135237158 /nfs/dbraw/zinc/23/71/58/135237158.db2.gz ZEQKHBWKCREWCD-RKDXNWHRSA-N 1 3 213.325 0.213 20 0 BCADHO CN(C[C@@H]1CCOC1)C[C@@]1(C)CC[NH2+]C1 ZINC000261547166 135240077 /nfs/dbraw/zinc/24/00/77/135240077.db2.gz LYOZCIQPKAIBEK-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000261547565 135240351 /nfs/dbraw/zinc/24/03/51/135240351.db2.gz MLXCNHDGTGHAPQ-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261547765 135240741 /nfs/dbraw/zinc/24/07/41/135240741.db2.gz MSJKLBRGOSXPHI-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N(C)C ZINC000261643528 135242889 /nfs/dbraw/zinc/24/28/89/135242889.db2.gz CUXUYHMLJIDIRR-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@]1(CN2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000261687605 135246090 /nfs/dbraw/zinc/24/60/90/135246090.db2.gz AQLOHXXXPTZXNY-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H](N)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000261707923 135246884 /nfs/dbraw/zinc/24/68/84/135246884.db2.gz DFEVBKWXABMSIF-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO COC(=O)[C@]1(C)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261716678 135247772 /nfs/dbraw/zinc/24/77/72/135247772.db2.gz FFKNHJZTGJLLBK-QWHCGFSZSA-N 1 3 240.347 0.871 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H](C)CN1 ZINC000261801782 135254173 /nfs/dbraw/zinc/25/41/73/135254173.db2.gz MPXPPDZBRQCJMU-WISYIIOYSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000261822447 135255460 /nfs/dbraw/zinc/25/54/60/135255460.db2.gz MPHLRUYFWIARJI-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000261830889 135256082 /nfs/dbraw/zinc/25/60/82/135256082.db2.gz NDMSVVJZWIYGER-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCCC[C@H]1C ZINC000261871361 135258988 /nfs/dbraw/zinc/25/89/88/135258988.db2.gz QRUQHTRXGNOSKN-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CCCC[C@@H]1C ZINC000261871364 135259267 /nfs/dbraw/zinc/25/92/67/135259267.db2.gz QRUQHTRXGNOSKN-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](C(=O)NCC1C[NH2+]C1)N1CCCCCC1 ZINC000261883695 135260049 /nfs/dbraw/zinc/26/00/49/135260049.db2.gz ATLKRLXOWCZPKQ-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261890817 135260854 /nfs/dbraw/zinc/26/08/54/135260854.db2.gz VDNATQLNZIQSBR-WHOHXGKFSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN(C)Cc1ccccc1 ZINC000261926129 135263362 /nfs/dbraw/zinc/26/33/62/135263362.db2.gz YGJFETHYWIAECK-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO CNC(=O)[C@H]1CCCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000261925972 135263528 /nfs/dbraw/zinc/26/35/28/135263528.db2.gz CFHWTKRDQSEXFZ-WCQYABFASA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@H]1CCCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261925967 135263853 /nfs/dbraw/zinc/26/38/53/135263853.db2.gz CFHWTKRDQSEXFZ-AAEUAGOBSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261943113 135264815 /nfs/dbraw/zinc/26/48/15/135264815.db2.gz NVNCJDMYTLVMIH-FOGDFJRCSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000261958790 135265779 /nfs/dbraw/zinc/26/57/79/135265779.db2.gz MFZBVDHPIVWYML-SRVKXCTJSA-N 1 3 241.379 0.768 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)N(CC)CC ZINC000262039377 135275149 /nfs/dbraw/zinc/27/51/49/135275149.db2.gz RKKRBYISKHHQFE-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000262049246 135275548 /nfs/dbraw/zinc/27/55/48/135275548.db2.gz UVRWCPIYCBODNB-QWRGUYRKSA-N 1 3 227.352 0.522 20 0 BCADHO O=c1cc2c(n[nH]1)CCN(CC1CC[NH2+]CC1)C2 ZINC000262044238 135275686 /nfs/dbraw/zinc/27/56/86/135275686.db2.gz YTKBPURGZSWYBJ-UHFFFAOYSA-N 1 3 248.330 0.128 20 0 BCADHO COc1ccccc1[C@H]1CNCCN1C[C@@H](C)[NH3+] ZINC000262177755 135284119 /nfs/dbraw/zinc/28/41/19/135284119.db2.gz IKHKMLUSXKLPLC-DGCLKSJQSA-N 1 3 249.358 0.989 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCC[C@@H](C)C1 ZINC000262310246 135292388 /nfs/dbraw/zinc/29/23/88/135292388.db2.gz CUUIPRXGVNIRAA-GHMZBOCLSA-N 1 3 227.352 0.429 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000262336172 135293786 /nfs/dbraw/zinc/29/37/86/135293786.db2.gz HGWJTYRQXKABDG-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C1(N)CCCC1 ZINC000262403287 135295109 /nfs/dbraw/zinc/29/51/09/135295109.db2.gz AFMNRKRTOQAMJM-JTQLQIEISA-N 1 3 227.352 0.892 20 0 BCADHO NC1(C(=O)N[C@H](C[NH3+])C2CC2)CCCCC1 ZINC000262409919 135295409 /nfs/dbraw/zinc/29/54/09/135295409.db2.gz DAZKBFGDWYTFBM-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)C[NH3+])N1CCC[C@@H](C)C1 ZINC000262394728 135298731 /nfs/dbraw/zinc/29/87/31/135298731.db2.gz OSIOCCSSRVXYOR-GRYCIOLGSA-N 1 3 241.379 0.818 20 0 BCADHO NC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000262477260 135301792 /nfs/dbraw/zinc/30/17/92/135301792.db2.gz QNBRJKJZNOQHGO-PHIMTYICSA-N 1 3 237.347 0.326 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH3+])CCC1 ZINC000342607711 135302576 /nfs/dbraw/zinc/30/25/76/135302576.db2.gz OJJOEVCCYYTIDA-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342606392 135303049 /nfs/dbraw/zinc/30/30/49/135303049.db2.gz LOWUMPTZVVQZEC-LOWVWBTDSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000262543957 135305675 /nfs/dbraw/zinc/30/56/75/135305675.db2.gz YNCVCFFLPPRNBW-MNOVXSKESA-N 1 3 227.352 0.441 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262586420 135307047 /nfs/dbraw/zinc/30/70/47/135307047.db2.gz SOVFRBKNRGWGGD-JQWIXIFHSA-N 1 3 239.363 0.524 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262611961 135308431 /nfs/dbraw/zinc/30/84/31/135308431.db2.gz FBHBDHOBOYIPFV-VLEAKVRGSA-N 1 3 227.352 0.603 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342752395 135311254 /nfs/dbraw/zinc/31/12/54/135311254.db2.gz ONPGZGZMKDEWIG-BJDJZHNGSA-N 1 3 239.363 0.700 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746861 135311329 /nfs/dbraw/zinc/31/13/29/135311329.db2.gz VTJZTWMGEBPNBR-PWSUYJOCSA-N 1 3 227.352 0.620 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342746016 135311413 /nfs/dbraw/zinc/31/14/13/135311413.db2.gz VEVLQBVWECOOAC-MFKMUULPSA-N 1 3 241.379 0.866 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342752398 135311468 /nfs/dbraw/zinc/31/14/68/135311468.db2.gz ONPGZGZMKDEWIG-YFKTTZPYSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000262655717 135312213 /nfs/dbraw/zinc/31/22/13/135312213.db2.gz CSDXONQYWIVISF-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000262655717 135312215 /nfs/dbraw/zinc/31/22/15/135312215.db2.gz CSDXONQYWIVISF-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CC[NH2+]C1 ZINC000342721119 135314856 /nfs/dbraw/zinc/31/48/56/135314856.db2.gz SPPSKXSWYLMGPP-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000262828995 135321163 /nfs/dbraw/zinc/32/11/63/135321163.db2.gz URFRQANPOQSWRB-HBNTYKKESA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@]1(C)CCCCN1 ZINC000262919734 135324275 /nfs/dbraw/zinc/32/42/75/135324275.db2.gz ZGPLPSVBFHBPSL-NQBHXWOUSA-N 1 3 239.363 0.633 20 0 BCADHO CCOCCN1CCC(OCCC[NH3+])CC1 ZINC000086723819 135494838 /nfs/dbraw/zinc/49/48/38/135494838.db2.gz SEYDQWJKBXQGIZ-UHFFFAOYSA-N 1 3 230.352 0.853 20 0 BCADHO CCN1CCC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000335285054 136001952 /nfs/dbraw/zinc/00/19/52/136001952.db2.gz IOVCTQMLLVIIPY-GHMZBOCLSA-N 1 3 240.351 0.213 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CNC2 ZINC000335286001 136002659 /nfs/dbraw/zinc/00/26/59/136002659.db2.gz LFIZQZLOVDPWKA-WDEREUQCSA-N 1 3 217.272 0.576 20 0 BCADHO CC(=O)[C@@](C)(O)CN1CCC(C[NH+](C)C)CC1 ZINC000347751968 136011457 /nfs/dbraw/zinc/01/14/57/136011457.db2.gz RLHOGWNSOZFICX-ZDUSSCGKSA-N 1 3 242.363 0.600 20 0 BCADHO CN(C(=O)c1ccc2c(c1)CNC2)C1CC([NH3+])C1 ZINC000335347696 136066988 /nfs/dbraw/zinc/06/69/88/136066988.db2.gz VGKSJRUZOQDTAL-UHFFFAOYSA-N 1 3 245.326 0.852 20 0 BCADHO NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335375213 136085177 /nfs/dbraw/zinc/08/51/77/136085177.db2.gz MMCYFLBMAGOKIO-CMPLNLGQSA-N 1 3 237.347 0.420 20 0 BCADHO NCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335375213 136085178 /nfs/dbraw/zinc/08/51/78/136085178.db2.gz MMCYFLBMAGOKIO-CMPLNLGQSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)C[C@H]1[NH3+] ZINC000335383199 136087999 /nfs/dbraw/zinc/08/79/99/136087999.db2.gz ADVRLBBPOVXOGZ-NOZJJQNGSA-N 1 3 245.326 0.709 20 0 BCADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000335392653 136091453 /nfs/dbraw/zinc/09/14/53/136091453.db2.gz NEESTKJRWVTVKA-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCN[C@@H](C)C1 ZINC000335392653 136091454 /nfs/dbraw/zinc/09/14/54/136091454.db2.gz NEESTKJRWVTVKA-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CNC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335397746 136093088 /nfs/dbraw/zinc/09/30/88/136093088.db2.gz WURHIUAZDDAFPG-WDEREUQCSA-N 1 3 225.336 0.054 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CNCc2ccccc21 ZINC000335399191 136094014 /nfs/dbraw/zinc/09/40/14/136094014.db2.gz MVILJSDUSZDTMH-AAEUAGOBSA-N 1 3 245.326 0.352 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)[C@H](C)C1 ZINC000178814175 397803140 /nfs/dbraw/zinc/80/31/40/397803140.db2.gz PFISQAIHJLOXSU-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)[C@H](C)C1 ZINC000178814175 397803143 /nfs/dbraw/zinc/80/31/43/397803143.db2.gz PFISQAIHJLOXSU-VWYCJHECSA-N 1 3 227.352 0.522 20 0 BCADHO CCN(C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000054133014 397903736 /nfs/dbraw/zinc/90/37/36/397903736.db2.gz KGFPVLAGTWVNDY-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CCC[C@H](N)C(=O)NCC[N@H+](C)CC ZINC000054133302 397903862 /nfs/dbraw/zinc/90/38/62/397903862.db2.gz WPCCMUFYEUTMIF-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CCC[C@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054133302 397903865 /nfs/dbraw/zinc/90/38/65/397903865.db2.gz WPCCMUFYEUTMIF-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO C[NH2+]CCNC(=O)N(CCN(C)C)CC(C)C ZINC000418320985 398036166 /nfs/dbraw/zinc/03/61/66/398036166.db2.gz XJMZHZJLSQXJAZ-UHFFFAOYSA-N 1 3 244.383 0.435 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000564731738 398039844 /nfs/dbraw/zinc/03/98/44/398039844.db2.gz HJYJNHBITJXNLN-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)CCCN(C)C[C@@H]1CC[NH2+]C1 ZINC000382761378 397971846 /nfs/dbraw/zinc/97/18/46/397971846.db2.gz YKBCWIGNDUKYLS-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CCOC[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000309049624 397977721 /nfs/dbraw/zinc/97/77/21/397977721.db2.gz QDGRGRPAUWHTBH-GHMZBOCLSA-N 1 3 216.325 0.068 20 0 BCADHO CCOC[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000309049624 397977722 /nfs/dbraw/zinc/97/77/22/397977722.db2.gz QDGRGRPAUWHTBH-GHMZBOCLSA-N 1 3 216.325 0.068 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](CO)C[C@H](C)C1 ZINC000398807692 398063357 /nfs/dbraw/zinc/06/33/57/398063357.db2.gz OKVXHEDPJLENCE-XQQFMLRXSA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](CO)C[C@H](C)C1 ZINC000398807692 398063359 /nfs/dbraw/zinc/06/33/59/398063359.db2.gz OKVXHEDPJLENCE-XQQFMLRXSA-N 1 3 244.379 0.249 20 0 BCADHO CC[NH+]1CCC(NC(=O)/C=C\CN(C)C)CC1 ZINC000491853239 398075534 /nfs/dbraw/zinc/07/55/34/398075534.db2.gz UZSZHCJHGLGZGJ-WAYWQWQTSA-N 1 3 239.363 0.705 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)Cc1ccccc1 ZINC000289315361 398086131 /nfs/dbraw/zinc/08/61/31/398086131.db2.gz UDKYKRCNECYJLL-DRZSPHRISA-N 1 3 247.342 0.505 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000236911823 398117404 /nfs/dbraw/zinc/11/74/04/398117404.db2.gz PPLOBGCREIEKSE-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000236911823 398117409 /nfs/dbraw/zinc/11/74/09/398117409.db2.gz PPLOBGCREIEKSE-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000309294899 398119188 /nfs/dbraw/zinc/11/91/88/398119188.db2.gz WYKHOPFGQNAUQQ-KOLCDFICSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807180 171394101 /nfs/dbraw/zinc/39/41/01/171394101.db2.gz JQBLLONYWZTMPB-UWVGGRQHSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)C1CCN(C)CC1 ZINC000037477072 167095540 /nfs/dbraw/zinc/09/55/40/167095540.db2.gz PCXYNIINPZZEDP-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](CCO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000094953527 487564888 /nfs/dbraw/zinc/56/48/88/487564888.db2.gz ONNXMUBVJGBJDQ-STQMWFEESA-N 1 3 244.379 0.441 20 0 BCADHO CN(CCNC(=O)CC1([NH3+])CCC1)C1CC1 ZINC000086853583 487567811 /nfs/dbraw/zinc/56/78/11/487567811.db2.gz KIYYYOOYQIUSDK-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CC1(C)[C@H](NCCN2CCOCC2)C[C@@H]1[NH3+] ZINC000405301259 487569457 /nfs/dbraw/zinc/56/94/57/487569457.db2.gz IPVXSHWBBLAMED-WDEREUQCSA-N 1 3 227.352 0.034 20 0 BCADHO CC1(C)[C@H]([NH2+]CCN2CCOCC2)C[C@@H]1N ZINC000405301259 487569464 /nfs/dbraw/zinc/56/94/64/487569464.db2.gz IPVXSHWBBLAMED-WDEREUQCSA-N 1 3 227.352 0.034 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCN1CCOCC1 ZINC000405301256 487569497 /nfs/dbraw/zinc/56/94/97/487569497.db2.gz IPVXSHWBBLAMED-GHMZBOCLSA-N 1 3 227.352 0.034 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCN1CCOCC1 ZINC000405301256 487569505 /nfs/dbraw/zinc/56/95/05/487569505.db2.gz IPVXSHWBBLAMED-GHMZBOCLSA-N 1 3 227.352 0.034 20 0 BCADHO CC(C)[NH+](CCNC(=O)CNC1CC1)C(C)C ZINC000037609118 322902915 /nfs/dbraw/zinc/90/29/15/322902915.db2.gz RAFTXEYNZKZFAJ-UHFFFAOYSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H](C[C@H](C)O)NC[C@@H](O)C[NH+]1CCCC1 ZINC000228106945 487587626 /nfs/dbraw/zinc/58/76/26/487587626.db2.gz YCNLZZTUWANTBC-GRYCIOLGSA-N 1 3 230.352 0.192 20 0 BCADHO C([C@H]1C[NH2+]CCO1)N1CCN(C2CCC2)CC1 ZINC000383317234 487602755 /nfs/dbraw/zinc/60/27/55/487602755.db2.gz OJFYQVUJPNHXTN-CYBMUJFWSA-N 1 3 239.363 0.145 20 0 BCADHO CCCN(C[C@H]1CNCCO1)[C@@H]1CC[NH2+]C1 ZINC000662244099 409535828 /nfs/dbraw/zinc/53/58/28/409535828.db2.gz BQGPSPBLSZFVLQ-VXGBXAGGSA-N 1 3 227.352 0.049 20 0 BCADHO C[C@H]([NH3+])C1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000662245479 409537730 /nfs/dbraw/zinc/53/77/30/409537730.db2.gz KAWPNKWWBPEJRK-JQWIXIFHSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1CC[C@@H](N2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000662245728 409538589 /nfs/dbraw/zinc/53/85/89/409538589.db2.gz NMOZIZQXYZCDHQ-CMPLNLGQSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])C1CCN([C@@H]2CCCN(C)C2=O)CC1 ZINC000662245477 409538657 /nfs/dbraw/zinc/53/86/57/409538657.db2.gz KAWPNKWWBPEJRK-CMPLNLGQSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+][C@@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662246107 409541815 /nfs/dbraw/zinc/54/18/15/409541815.db2.gz PFGZRNAQTUOFMW-NEPJUHHUSA-N 1 3 239.363 0.191 20 0 BCADHO C[NH2+][C@H]1CCCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662246109 409541930 /nfs/dbraw/zinc/54/19/30/409541930.db2.gz PFGZRNAQTUOFMW-RYUDHWBXSA-N 1 3 239.363 0.191 20 0 BCADHO C[C@@H]1CSCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254123 409551574 /nfs/dbraw/zinc/55/15/74/409551574.db2.gz FZUYUTFCOWSUFW-GHMZBOCLSA-N 1 3 242.388 0.945 20 0 BCADHO CC(C)OCC[NH2+]C1(CO)CCNCC1 ZINC000662285771 409619443 /nfs/dbraw/zinc/61/94/43/409619443.db2.gz HPYDRYSMQVOEMN-UHFFFAOYSA-N 1 3 216.325 0.116 20 0 BCADHO COC[C@@H](CN1CCCC[C@@H]1CC[NH3+])OC ZINC000662272864 409578251 /nfs/dbraw/zinc/57/82/51/409578251.db2.gz JLVUFVMEWAWHHN-VXGBXAGGSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@@H+]1CCCC[C@@H]1CCN)OC ZINC000662272864 409578261 /nfs/dbraw/zinc/57/82/61/409578261.db2.gz JLVUFVMEWAWHHN-VXGBXAGGSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@H+]1CCCC[C@@H]1CCN)OC ZINC000662272864 409578275 /nfs/dbraw/zinc/57/82/75/409578275.db2.gz JLVUFVMEWAWHHN-VXGBXAGGSA-N 1 3 230.352 0.851 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]C1)C1(NC2CC2)CCC1 ZINC000662394866 409696767 /nfs/dbraw/zinc/69/67/67/409696767.db2.gz DMZGQOAFYISIMG-NSHDSACASA-N 1 3 237.347 0.529 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)N(C)C ZINC000655245559 409700874 /nfs/dbraw/zinc/70/08/74/409700874.db2.gz OLHQHKKDYUELTD-TUAOUCFPSA-N 1 3 241.379 0.783 20 0 BCADHO [NH3+][C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662387908 409689765 /nfs/dbraw/zinc/68/97/65/409689765.db2.gz MFAMJLFEXHORPB-JTQLQIEISA-N 1 3 237.347 0.611 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247243 409719726 /nfs/dbraw/zinc/71/97/26/409719726.db2.gz YXQSDKCWOWKPTN-TXEJJXNPSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000662620801 409790661 /nfs/dbraw/zinc/79/06/61/409790661.db2.gz BNDBUEJRLQJLJS-NSHDSACASA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000662620801 409790666 /nfs/dbraw/zinc/79/06/66/409790666.db2.gz BNDBUEJRLQJLJS-NSHDSACASA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623640 409793226 /nfs/dbraw/zinc/79/32/26/409793226.db2.gz ZOAARWSOHPGVHG-GHMZBOCLSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623640 409793234 /nfs/dbraw/zinc/79/32/34/409793234.db2.gz ZOAARWSOHPGVHG-GHMZBOCLSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)(C)N1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000662622982 409794439 /nfs/dbraw/zinc/79/44/39/409794439.db2.gz VQSYJMYCGPUOPP-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCC[NH2+]CC2)CCN1 ZINC000653147954 409872590 /nfs/dbraw/zinc/87/25/90/409872590.db2.gz IAMPOMMGELRSBF-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](CCNC(=O)[C@H]1C[C@H](C)CCN1)[NH+](C)C ZINC000662859123 409957792 /nfs/dbraw/zinc/95/77/92/409957792.db2.gz KCRSXNATCXDHRP-IJLUTSLNSA-N 1 3 241.379 0.831 20 0 BCADHO CN(CC[NH3+])C(=O)C1(NC2CC2)CCC1 ZINC000662814636 409932170 /nfs/dbraw/zinc/93/21/70/409932170.db2.gz QOUJUAGMODJBJG-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662834321 409942151 /nfs/dbraw/zinc/94/21/51/409942151.db2.gz FOBMYXJRFKQLLM-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662835021 409946194 /nfs/dbraw/zinc/94/61/94/409946194.db2.gz KAYXFYLKSYZDIH-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000662839404 409949094 /nfs/dbraw/zinc/94/90/94/409949094.db2.gz QNXLPZNDGAFTQC-GHMZBOCLSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000662839404 409949104 /nfs/dbraw/zinc/94/91/04/409949104.db2.gz QNXLPZNDGAFTQC-GHMZBOCLSA-N 1 3 237.347 0.611 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839440 409949745 /nfs/dbraw/zinc/94/97/45/409949745.db2.gz QPRWLDURWSQYMO-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839440 409949754 /nfs/dbraw/zinc/94/97/54/409949754.db2.gz QPRWLDURWSQYMO-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000662969193 409998041 /nfs/dbraw/zinc/99/80/41/409998041.db2.gz YLVJPSCLUGVIFM-GUBZILKMSA-N 1 3 213.325 0.099 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194337 410159722 /nfs/dbraw/zinc/15/97/22/410159722.db2.gz DFKIHLQWNUXZBR-UMNHJUIQSA-N 1 3 225.336 0.311 20 0 BCADHO NC1(C(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000653221096 410170081 /nfs/dbraw/zinc/17/00/81/410170081.db2.gz HNFXPMNJCCFTGH-UHFFFAOYSA-N 1 3 211.309 0.113 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223002 410171281 /nfs/dbraw/zinc/17/12/81/410171281.db2.gz YZQHTBGCRRKYLP-QWRGUYRKSA-N 1 3 239.363 0.620 20 0 BCADHO CC1(C)CNCCN1C(=O)CC[NH2+]C1CC1 ZINC000655417428 410224108 /nfs/dbraw/zinc/22/41/08/410224108.db2.gz KPSJZPNKEQYTDF-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1CN ZINC000650714656 410347009 /nfs/dbraw/zinc/34/70/09/410347009.db2.gz WTVMWMWIXYPZMX-WRWGMCAJSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)C[C@H]1CN ZINC000650714656 410347015 /nfs/dbraw/zinc/34/70/15/410347015.db2.gz WTVMWMWIXYPZMX-WRWGMCAJSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@H]1C[NH3+] ZINC000650714656 410347022 /nfs/dbraw/zinc/34/70/22/410347022.db2.gz WTVMWMWIXYPZMX-WRWGMCAJSA-N 1 3 212.337 0.938 20 0 BCADHO C[C@H](CO)C1CCN(CCC[NH3+])CC1 ZINC000650715190 410350154 /nfs/dbraw/zinc/35/01/54/410350154.db2.gz TYNJRWJWUJAZDM-SNVBAGLBSA-N 1 3 200.326 0.676 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000650743041 410377213 /nfs/dbraw/zinc/37/72/13/410377213.db2.gz KZZUPXOPTCLTBO-LMLFDSFASA-N 1 3 225.336 0.500 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000130391901 410399542 /nfs/dbraw/zinc/39/95/42/410399542.db2.gz ILQMUVYMCQHWCY-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000130391901 410399547 /nfs/dbraw/zinc/39/95/47/410399547.db2.gz ILQMUVYMCQHWCY-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655460747 410574335 /nfs/dbraw/zinc/57/43/35/410574335.db2.gz ALCDBWCUXFDLDD-CMPLNLGQSA-N 1 3 225.336 0.054 20 0 BCADHO CN(CCN1CCCCC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000653274762 410555625 /nfs/dbraw/zinc/55/56/25/410555625.db2.gz NWSPETSYEKXYBZ-TXEJJXNPSA-N 1 3 239.363 0.668 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000655463863 410650959 /nfs/dbraw/zinc/65/09/59/410650959.db2.gz ZBDIXVQPOOZMNV-DCAQKATOSA-N 1 3 243.326 0.192 20 0 BCADHO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)[C@H]1CCOC1 ZINC000665234973 410725983 /nfs/dbraw/zinc/72/59/83/410725983.db2.gz NEBFCJPPFLRQHD-YVECIDJPSA-N 1 3 242.363 0.755 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000394672047 410817612 /nfs/dbraw/zinc/81/76/12/410817612.db2.gz XWMIROLHVABTDA-HBNTYKKESA-N 1 3 216.325 0.101 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H](C)[C@@H]1CCCOC1 ZINC000665298627 410829329 /nfs/dbraw/zinc/82/93/29/410829329.db2.gz ZERIFVVSIAGVBS-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H](NC(=O)[C@H](C)N)C1CC[NH+](C)CC1 ZINC000396438956 410881941 /nfs/dbraw/zinc/88/19/41/410881941.db2.gz QQNFIJSVDXMRQC-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO CCC(C)(C)N1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000655495099 410890938 /nfs/dbraw/zinc/89/09/38/410890938.db2.gz TUKSKSUWOAEZSL-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807166 410895013 /nfs/dbraw/zinc/89/50/13/410895013.db2.gz MJPYCUAYGGSXLM-SNVBAGLBSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)NC(=O)CN(C)CC[C@@H]1CCC[NH2+]C1 ZINC000051919319 167048296 /nfs/dbraw/zinc/04/82/96/167048296.db2.gz ILRKCNUJHGLRIL-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N(C)C ZINC000236710693 167342010 /nfs/dbraw/zinc/34/20/10/167342010.db2.gz QYGIULZZLMPCDX-ZJUUUORDSA-N 1 3 213.325 0.132 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)N(C)C ZINC000236711312 167345127 /nfs/dbraw/zinc/34/51/27/167345127.db2.gz SELMMFFLMVFTLA-QWRGUYRKSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)N(C)C ZINC000045108029 167395604 /nfs/dbraw/zinc/39/56/04/167395604.db2.gz RYAYFKUXFLWRLW-VHSXEESVSA-N 1 3 215.341 0.284 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044808502 167396608 /nfs/dbraw/zinc/39/66/08/167396608.db2.gz NNTYKIKJIUBFHF-CMPLNLGQSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H](N)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236754676 167418304 /nfs/dbraw/zinc/41/83/04/167418304.db2.gz CDTSNXIOCGSFLA-QWRGUYRKSA-N 1 3 229.368 0.802 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@@H](N)C1CCC1 ZINC000399000826 411008169 /nfs/dbraw/zinc/00/81/69/411008169.db2.gz CKRGILSSQVXQSF-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)C1CCC1)[NH+]1CCCC1 ZINC000399088768 411014854 /nfs/dbraw/zinc/01/48/54/411014854.db2.gz VRKJCFOSGCKWKA-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO Cn1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000400935003 411162989 /nfs/dbraw/zinc/16/29/89/411162989.db2.gz KHIAOYCMXHXFPS-GMTAPVOTSA-N 1 3 235.335 0.293 20 0 BCADHO [NH3+]CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655961347 411163027 /nfs/dbraw/zinc/16/30/27/411163027.db2.gz OIZUSIJMHHNVOO-MNOVXSKESA-N 1 3 240.351 0.261 20 0 BCADHO Cn1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000400935004 411163370 /nfs/dbraw/zinc/16/33/70/411163370.db2.gz KHIAOYCMXHXFPS-HBNTYKKESA-N 1 3 235.335 0.293 20 0 BCADHO [NH3+]CCOCCN1CCC[C@H](OC2CCC2)C1 ZINC000655947291 411161588 /nfs/dbraw/zinc/16/15/88/411161588.db2.gz QRBWWDHPHYHLIN-ZDUSSCGKSA-N 1 3 242.363 0.995 20 0 BCADHO NC[C@H](NC(=O)CC1([NH3+])CCC1)C(F)(F)F ZINC000655504819 411115322 /nfs/dbraw/zinc/11/53/22/411115322.db2.gz KBPYSSJUMMSQSL-LURJTMIESA-N 1 3 239.241 0.264 20 0 BCADHO COC[C@@H](CC(C)(C)C)NC[C@@H](O)C[NH+](C)C ZINC000652151700 411162158 /nfs/dbraw/zinc/16/21/58/411162158.db2.gz ZYGHGHDYPXBAQC-VXGBXAGGSA-N 1 3 246.395 0.950 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCN1CCCC1=O ZINC000405464377 411172884 /nfs/dbraw/zinc/17/28/84/411172884.db2.gz ZKMNGVSEAASAEN-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCN1CCCC1=O ZINC000405464377 411172885 /nfs/dbraw/zinc/17/28/85/411172885.db2.gz ZKMNGVSEAASAEN-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1CN(C)C ZINC000061644093 411174617 /nfs/dbraw/zinc/17/46/17/411174617.db2.gz RDFRXSRAFZFOBN-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nncn1C ZINC000401050633 411174637 /nfs/dbraw/zinc/17/46/37/411174637.db2.gz XYTVYQBKUCCGNF-IRCOFANPSA-N 1 3 249.362 0.854 20 0 BCADHO Cn1ccnc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401105746 411176160 /nfs/dbraw/zinc/17/61/60/411176160.db2.gz FIKNENHUGJUAFV-SDDRHHMPSA-N 1 3 234.347 0.898 20 0 BCADHO [NH3+]CC1(CCNC(=O)N2CCCNCC2)CC1 ZINC000652231656 411176726 /nfs/dbraw/zinc/17/67/26/411176726.db2.gz BZLMPHWZSJWPGV-UHFFFAOYSA-N 1 3 240.351 0.120 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132956329 411177755 /nfs/dbraw/zinc/17/77/55/411177755.db2.gz MMOYFRJKGAWXFH-VWYCJHECSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132956329 411177756 /nfs/dbraw/zinc/17/77/56/411177756.db2.gz MMOYFRJKGAWXFH-VWYCJHECSA-N 1 3 227.352 0.569 20 0 BCADHO C[C@H](C[NH2+][C@H](C)Cn1cncn1)CN(C)C ZINC000658017911 411198275 /nfs/dbraw/zinc/19/82/75/411198275.db2.gz MBNSKQCVVKCFHA-GHMZBOCLSA-N 1 3 225.340 0.454 20 0 BCADHO C[C@H](CN[C@H](C)Cn1cncn1)C[NH+](C)C ZINC000658017911 411198277 /nfs/dbraw/zinc/19/82/77/411198277.db2.gz MBNSKQCVVKCFHA-GHMZBOCLSA-N 1 3 225.340 0.454 20 0 BCADHO CCc1nncn1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656196789 411201674 /nfs/dbraw/zinc/20/16/74/411201674.db2.gz HIHJSKVHZZPCGL-WDEREUQCSA-N 1 3 237.351 0.700 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000656198791 411202929 /nfs/dbraw/zinc/20/29/29/411202929.db2.gz SGHRDRUAXKGZDC-MXWKQRLJSA-N 1 3 239.363 0.903 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000656198791 411202930 /nfs/dbraw/zinc/20/29/30/411202930.db2.gz SGHRDRUAXKGZDC-MXWKQRLJSA-N 1 3 239.363 0.903 20 0 BCADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CN(C)CCO1 ZINC000656198168 411203440 /nfs/dbraw/zinc/20/34/40/411203440.db2.gz IXDZWDLTPPHPOE-LOWDOPEQSA-N 1 3 241.379 0.565 20 0 BCADHO CCn1cnnc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656197416 411203499 /nfs/dbraw/zinc/20/34/99/411203499.db2.gz HXKMSIRRBLCVCM-MNOVXSKESA-N 1 3 237.351 0.700 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000652338480 411203777 /nfs/dbraw/zinc/20/37/77/411203777.db2.gz ICPMTHOPRFDOEU-RYUDHWBXSA-N 1 3 228.336 0.069 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000652338480 411203781 /nfs/dbraw/zinc/20/37/81/411203781.db2.gz ICPMTHOPRFDOEU-RYUDHWBXSA-N 1 3 228.336 0.069 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@]2(CCOC2)C1 ZINC000652338480 411203782 /nfs/dbraw/zinc/20/37/82/411203782.db2.gz ICPMTHOPRFDOEU-RYUDHWBXSA-N 1 3 228.336 0.069 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CC1CCC1 ZINC000652337966 411204639 /nfs/dbraw/zinc/20/46/39/411204639.db2.gz SNTUJGJDGCWXCV-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000652338357 411204949 /nfs/dbraw/zinc/20/49/49/411204949.db2.gz XARHELWDFFILMV-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCCOC(C)(C)C1 ZINC000652338357 411204952 /nfs/dbraw/zinc/20/49/52/411204952.db2.gz XARHELWDFFILMV-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCCC[C@@H](COC)C1 ZINC000652341540 411206889 /nfs/dbraw/zinc/20/68/89/411206889.db2.gz XPJFQJPCRPSFIO-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000652341540 411206893 /nfs/dbraw/zinc/20/68/93/411206893.db2.gz XPJFQJPCRPSFIO-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCCC[C@@H](COC)C1 ZINC000652341540 411206897 /nfs/dbraw/zinc/20/68/97/411206897.db2.gz XPJFQJPCRPSFIO-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO C[C@@H](N)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000652358540 411214857 /nfs/dbraw/zinc/21/48/57/411214857.db2.gz QDBSICUULLNIIR-VHSXEESVSA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCNCC1(C)C ZINC000659294180 411219738 /nfs/dbraw/zinc/21/97/38/411219738.db2.gz MLIDRKVQQPAROH-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO NC[C@@H](NC(=O)CC1(C[NH3+])CC1)C(F)(F)F ZINC000655519732 411221777 /nfs/dbraw/zinc/22/17/77/411221777.db2.gz WRBGYTNNKKMFSV-ZCFIWIBFSA-N 1 3 239.241 0.121 20 0 BCADHO CCCN1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000658055751 411222599 /nfs/dbraw/zinc/22/25/99/411222599.db2.gz VNJITCUUZPRGLQ-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CC[NH+]1CCC(NC[C@](C)(CO)OC)CC1 ZINC000655785151 411226009 /nfs/dbraw/zinc/22/60/09/411226009.db2.gz HNMLFMILJPXLGF-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CO[C@](C)(CO)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655785311 411226639 /nfs/dbraw/zinc/22/66/39/411226639.db2.gz LCYKFCIEQAMUJT-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO CO[C@](C)(CO)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655785311 411226642 /nfs/dbraw/zinc/22/66/42/411226642.db2.gz LCYKFCIEQAMUJT-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000659612358 411235977 /nfs/dbraw/zinc/23/59/77/411235977.db2.gz WDLJTHMKBDDHCT-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CCC[NH2+]CCN[C@@H]1CCN(CCOC)C1 ZINC000423306957 411237424 /nfs/dbraw/zinc/23/74/24/411237424.db2.gz FWEFNTFYWBFRRN-GFCCVEGCSA-N 1 3 229.368 0.296 20 0 BCADHO CNC(=O)[C@@H]1CCCCN1CC[C@H]1CC[NH2+]C1 ZINC000396729298 411240337 /nfs/dbraw/zinc/24/03/37/411240337.db2.gz CUQVALHMGVSAOU-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CN(C)CCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466212 411278432 /nfs/dbraw/zinc/27/84/32/411278432.db2.gz ABCBQUXJHORUAZ-LLVKDONJSA-N 1 3 223.324 0.307 20 0 BCADHO CC(C)(N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466689 411278640 /nfs/dbraw/zinc/27/86/40/411278640.db2.gz GVYOIGWCKAUEBX-MRVPVSSYSA-N 1 3 209.297 0.396 20 0 BCADHO CC(C)NCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000659299890 411286662 /nfs/dbraw/zinc/28/66/62/411286662.db2.gz JOEGRHJRSGTZMB-UHFFFAOYSA-N 1 3 239.363 0.727 20 0 BCADHO O=C(C[C@H]1NCc2ccccc21)NCC1C[NH2+]C1 ZINC000659304367 411296833 /nfs/dbraw/zinc/29/68/33/411296833.db2.gz BOGUWZHLXFCYEY-CYBMUJFWSA-N 1 3 245.326 0.557 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1NCC1(C)C ZINC000653444815 411255732 /nfs/dbraw/zinc/25/57/32/411255732.db2.gz PXMGLVMRRWRTLC-KXUCPTDWSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000050464464 411258832 /nfs/dbraw/zinc/25/88/32/411258832.db2.gz HMKZVTPFPPMGMW-AXFHLTTASA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000050464464 411258835 /nfs/dbraw/zinc/25/88/35/411258835.db2.gz HMKZVTPFPPMGMW-AXFHLTTASA-N 1 3 225.336 0.180 20 0 BCADHO OC/C=C\C[NH2+]C1CCN(CC2CC2)CC1 ZINC000658134319 411259408 /nfs/dbraw/zinc/25/94/08/411259408.db2.gz QCZBKGIVVTZPDV-UPHRSURJSA-N 1 3 224.348 0.999 20 0 BCADHO CC[C@@H](N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000130610203 411357765 /nfs/dbraw/zinc/35/77/65/411357765.db2.gz SLXDXVJBYCGTCO-GFCCVEGCSA-N 1 3 248.330 0.468 20 0 BCADHO c1cn(C[C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC000656787585 411366281 /nfs/dbraw/zinc/36/62/81/411366281.db2.gz NXTLPRKJSIMVDP-OLZOCXBDSA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@H]2CC[N@H+](C[C@@H]3CCCNC3)C2)nn1 ZINC000656787585 411366282 /nfs/dbraw/zinc/36/62/82/411366282.db2.gz NXTLPRKJSIMVDP-OLZOCXBDSA-N 1 3 249.362 0.600 20 0 BCADHO c1cn(C[C@H]2CC[N@@H+](C[C@@H]3CCCNC3)C2)nn1 ZINC000656787585 411366285 /nfs/dbraw/zinc/36/62/85/411366285.db2.gz NXTLPRKJSIMVDP-OLZOCXBDSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973215 411334129 /nfs/dbraw/zinc/33/41/29/411334129.db2.gz HTUATTLSXXEGFO-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973575 411334139 /nfs/dbraw/zinc/33/41/39/411334139.db2.gz FXYSAFKQYAXBSG-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000062973216 411334578 /nfs/dbraw/zinc/33/45/78/411334578.db2.gz HTUATTLSXXEGFO-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CCCCOCCN(C)CCN1CC[NH2+]CC1 ZINC000071150949 411336392 /nfs/dbraw/zinc/33/63/92/411336392.db2.gz SECVPIRBKCMPOA-UHFFFAOYSA-N 1 3 243.395 0.640 20 0 BCADHO CC1(CNC(=O)C2(N)CCCC2)CC[NH2+]CC1 ZINC000181289601 168027600 /nfs/dbraw/zinc/02/76/00/168027600.db2.gz AOKREIFWIQFCOF-UHFFFAOYSA-N 1 3 239.363 0.764 20 0 BCADHO CC1CCN(CC(=O)N2CCC([NH3+])CC2)CC1 ZINC000032025343 168177938 /nfs/dbraw/zinc/17/79/38/168177938.db2.gz MGXOGOZYLTYOEU-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H]([NH3+])CC(=O)NCCN1CCC(C)CC1 ZINC000040772664 168180774 /nfs/dbraw/zinc/18/07/74/168180774.db2.gz DLTISOWLGMGGFS-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CCC[N@H+](CCC(=O)N(C)C)[C@@H]1CCN ZINC000404287049 411388408 /nfs/dbraw/zinc/38/84/08/411388408.db2.gz INJNLMXMRQCMAQ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@@H]1CCN ZINC000404287049 411388411 /nfs/dbraw/zinc/38/84/11/411388411.db2.gz INJNLMXMRQCMAQ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]1CCCN(CCC(=O)N(C)C)[C@@H]1CC[NH3+] ZINC000404287049 411388414 /nfs/dbraw/zinc/38/84/14/411388414.db2.gz INJNLMXMRQCMAQ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[NH2+]2)CC2(CCC2)C1 ZINC000659295675 411389354 /nfs/dbraw/zinc/38/93/54/411389354.db2.gz XYVGSFRQQNRYMD-SNVBAGLBSA-N 1 3 237.347 0.516 20 0 BCADHO CC(C)NCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000659311539 411387033 /nfs/dbraw/zinc/38/70/33/411387033.db2.gz WUSHXNYBCMIZKM-NSHDSACASA-N 1 3 227.352 0.633 20 0 BCADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCN(C)C ZINC000309788168 168301678 /nfs/dbraw/zinc/30/16/78/168301678.db2.gz OOUNZOFDKJFSAU-SNVBAGLBSA-N 1 3 229.368 0.831 20 0 BCADHO C[C@@H](CNC(=O)NCCC[NH+](C)C)N(C)C ZINC000654852421 411456157 /nfs/dbraw/zinc/45/61/57/411456157.db2.gz MKOOGYYUBFQGSK-JTQLQIEISA-N 1 3 230.356 0.187 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000659311851 411393117 /nfs/dbraw/zinc/39/31/17/411393117.db2.gz QXEMISAWVHIBEX-SNVBAGLBSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347826 411401069 /nfs/dbraw/zinc/40/10/69/411401069.db2.gz KFUUNIJCAGPYQP-RAIGVLPGSA-N 1 3 247.342 0.596 20 0 BCADHO CC(C)O[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000404653954 411403148 /nfs/dbraw/zinc/40/31/48/411403148.db2.gz SFPXHDXYLYYFPD-GFCCVEGCSA-N 1 3 230.352 0.851 20 0 BCADHO N[C@@H]1CN(C(=O)CC[NH2+]C2CC2)CC[C@H]1F ZINC000659385069 411404511 /nfs/dbraw/zinc/40/45/11/411404511.db2.gz NFMVJAQOPDUIPZ-NXEZZACHSA-N 1 3 229.299 0.026 20 0 BCADHO C[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659371592 411405203 /nfs/dbraw/zinc/40/52/03/411405203.db2.gz XFSFKEYVSHSFPC-CABZTGNLSA-N 1 3 249.314 0.633 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659378170 411406551 /nfs/dbraw/zinc/40/65/51/411406551.db2.gz XRXZYBCLXDENJB-OUAUKWLOSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659388921 411409776 /nfs/dbraw/zinc/40/97/76/411409776.db2.gz NUKKQWIAWPOCRQ-GWOFURMSSA-N 1 3 243.326 0.272 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000404887374 411410831 /nfs/dbraw/zinc/41/08/31/411410831.db2.gz NIQVFYRGYROGNU-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000404887375 411410938 /nfs/dbraw/zinc/41/09/38/411410938.db2.gz NIQVFYRGYROGNU-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000659460319 411417613 /nfs/dbraw/zinc/41/76/13/411417613.db2.gz OAIJNDLMDOHOQH-DCAQKATOSA-N 1 3 242.367 0.376 20 0 BCADHO C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H](N)C1)[NH+](C)C ZINC000659501396 411423023 /nfs/dbraw/zinc/42/30/23/411423023.db2.gz MBIXEGONQIYDSF-IVZWLZJFSA-N 1 3 246.330 0.017 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000659510401 411424782 /nfs/dbraw/zinc/42/47/82/411424782.db2.gz ORSRYNMTPSKYGN-SNVBAGLBSA-N 1 3 228.340 0.119 20 0 BCADHO CCO[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405319254 411425234 /nfs/dbraw/zinc/42/52/34/411425234.db2.gz YHDMWIYOBUGKSP-YNEHKIRRSA-N 1 3 242.363 0.709 20 0 BCADHO CCO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000405319254 411425235 /nfs/dbraw/zinc/42/52/35/411425235.db2.gz YHDMWIYOBUGKSP-YNEHKIRRSA-N 1 3 242.363 0.709 20 0 BCADHO CCO[C@@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@H]1CN ZINC000405319254 411425238 /nfs/dbraw/zinc/42/52/38/411425238.db2.gz YHDMWIYOBUGKSP-YNEHKIRRSA-N 1 3 242.363 0.709 20 0 BCADHO CCO[C@@H]1CN([C@H](C)COC)C[C@H]1C[NH3+] ZINC000405370627 411427057 /nfs/dbraw/zinc/42/70/57/411427057.db2.gz JLWMSYZISCHMKS-GMTAPVOTSA-N 1 3 216.325 0.317 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](OC)CC1 ZINC000653612975 411439754 /nfs/dbraw/zinc/43/97/54/411439754.db2.gz OWGLBWCESCFOLD-OLZOCXBDSA-N 1 3 244.379 0.800 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](OC)CC1 ZINC000653612975 411439755 /nfs/dbraw/zinc/43/97/55/411439755.db2.gz OWGLBWCESCFOLD-OLZOCXBDSA-N 1 3 244.379 0.800 20 0 BCADHO CCCNC(=O)[C@@H]1CCCN(CCC[NH3+])C1 ZINC000414689701 411439862 /nfs/dbraw/zinc/43/98/62/411439862.db2.gz GNNTZWHFXLHYGD-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO CCCCNC(=O)[C@H]1CCCN(CCC[NH3+])C1 ZINC000414689734 411439870 /nfs/dbraw/zinc/43/98/70/411439870.db2.gz GSRIEHMXSUBVGS-LBPRGKRZSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)N(C)C ZINC000070618973 411440994 /nfs/dbraw/zinc/44/09/94/411440994.db2.gz GWOVGCIQKHTMOY-ONGXEEELSA-N 1 3 213.325 0.195 20 0 BCADHO CN(CCC[NH3+])C(=O)N[C@@H]1CCCN(C)C1 ZINC000659440454 411441861 /nfs/dbraw/zinc/44/18/61/411441861.db2.gz HNFJWEAGEUPVGZ-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO CCO[C@@H]1CN([C@@H](C)CCOC)C[C@H]1C[NH3+] ZINC000405852823 411443292 /nfs/dbraw/zinc/44/32/92/411443292.db2.gz KFCWZQKPZHNZIR-QJPTWQEYSA-N 1 3 230.352 0.707 20 0 BCADHO CCO[C@@H]1C[N@@H+]([C@@H](C)CCOC)C[C@H]1CN ZINC000405852823 411443297 /nfs/dbraw/zinc/44/32/97/411443297.db2.gz KFCWZQKPZHNZIR-QJPTWQEYSA-N 1 3 230.352 0.707 20 0 BCADHO CCO[C@@H]1C[N@H+]([C@@H](C)CCOC)C[C@H]1CN ZINC000405852823 411443302 /nfs/dbraw/zinc/44/33/02/411443302.db2.gz KFCWZQKPZHNZIR-QJPTWQEYSA-N 1 3 230.352 0.707 20 0 BCADHO CO[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000659850350 411475732 /nfs/dbraw/zinc/47/57/32/411475732.db2.gz OKENFGSBLFIZHO-MROQNXINSA-N 1 3 240.347 0.189 20 0 BCADHO Cn1nncc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826992 411529917 /nfs/dbraw/zinc/52/99/17/411529917.db2.gz LJAKQYVXVVRSRO-AOOOYVTPSA-N 1 3 223.324 0.245 20 0 BCADHO C[C@@H](CNC(=O)CCC(C)(C)[NH3+])N(C)C ZINC000069633861 411465345 /nfs/dbraw/zinc/46/53/45/411465345.db2.gz ZOIOJJLIPWNGLZ-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO CN1CCC[C@@H](NC(=O)CCC(C)(C)[NH3+])C1 ZINC000069633946 411465893 /nfs/dbraw/zinc/46/58/93/411465893.db2.gz CIUPAQNGNOJENJ-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358348706 170012526 /nfs/dbraw/zinc/01/25/26/170012526.db2.gz WBQDDUIVYLGEFY-VXGBXAGGSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@H+]1CC[C@@H](NCC2(CO)COC2)[C@H](C)C1 ZINC000358348706 170012527 /nfs/dbraw/zinc/01/25/27/170012527.db2.gz WBQDDUIVYLGEFY-VXGBXAGGSA-N 1 3 242.363 0.315 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000040922629 170015085 /nfs/dbraw/zinc/01/50/85/170015085.db2.gz LYMHVJJMBBWVIB-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037643507 170014929 /nfs/dbraw/zinc/01/49/29/170014929.db2.gz JTIIIXKYYWMFHT-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037643507 170014930 /nfs/dbraw/zinc/01/49/30/170014930.db2.gz JTIIIXKYYWMFHT-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000040922629 170015084 /nfs/dbraw/zinc/01/50/84/170015084.db2.gz LYMHVJJMBBWVIB-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037643429 170015362 /nfs/dbraw/zinc/01/53/62/170015362.db2.gz LTJCCLCXRPBKSN-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037643429 170015364 /nfs/dbraw/zinc/01/53/64/170015364.db2.gz LTJCCLCXRPBKSN-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C(C)C)C1 ZINC000037484134 170015460 /nfs/dbraw/zinc/01/54/60/170015460.db2.gz AWHNLYIRYMEVNU-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](N)C(C)C)C1 ZINC000037484134 170015463 /nfs/dbraw/zinc/01/54/63/170015463.db2.gz AWHNLYIRYMEVNU-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H]2COCCO2)[C@H](C)C1 ZINC000358224506 170020454 /nfs/dbraw/zinc/02/04/54/170020454.db2.gz QXQUBJFMKFFZSZ-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H]2COCCO2)[C@H](C)C1 ZINC000358224506 170020456 /nfs/dbraw/zinc/02/04/56/170020456.db2.gz QXQUBJFMKFFZSZ-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@@H](O)C(F)F)[C@@H](C)C1 ZINC000336778403 170021698 /nfs/dbraw/zinc/02/16/98/170021698.db2.gz LHIZJRSNACUMCZ-LPEHRKFASA-N 1 3 236.306 0.932 20 0 BCADHO CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000036794711 170096212 /nfs/dbraw/zinc/09/62/12/170096212.db2.gz CCLQJJDPJVVZJE-MNOVXSKESA-N 1 3 241.379 0.831 20 0 BCADHO CC[NH2+]CCNC(=O)CN(CC)CC ZINC000236905901 170114839 /nfs/dbraw/zinc/11/48/39/170114839.db2.gz OEFHSIHSNSZMTI-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO CC[C@H](CCO)NC[C@H](O)C[NH+]1CCCC1 ZINC000217810846 411552026 /nfs/dbraw/zinc/55/20/26/411552026.db2.gz AIEJCEPNOCGRGW-NEPJUHHUSA-N 1 3 230.352 0.194 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000358917510 170138672 /nfs/dbraw/zinc/13/86/72/170138672.db2.gz VDGQEIYXBQCRSB-SDDRHHMPSA-N 1 3 241.379 0.973 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000358918890 170140168 /nfs/dbraw/zinc/14/01/68/170140168.db2.gz XDJGSZDCKNYHBO-AAEUAGOBSA-N 1 3 249.358 0.671 20 0 BCADHO C[C@@H](Cn1cncn1)[NH2+]CCCN1CCCC1 ZINC000657823441 411607246 /nfs/dbraw/zinc/60/72/46/411607246.db2.gz GPBQBXJOODFLQK-LBPRGKRZSA-N 1 3 237.351 0.742 20 0 BCADHO C[C@@H](Cn1cncn1)NCCC[NH+]1CCCC1 ZINC000657823441 411607248 /nfs/dbraw/zinc/60/72/48/411607248.db2.gz GPBQBXJOODFLQK-LBPRGKRZSA-N 1 3 237.351 0.742 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000660739734 411620146 /nfs/dbraw/zinc/62/01/46/411620146.db2.gz YFLYZCLKIAJTAN-IJLUTSLNSA-N 1 3 230.352 0.143 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000660739734 411620147 /nfs/dbraw/zinc/62/01/47/411620147.db2.gz YFLYZCLKIAJTAN-IJLUTSLNSA-N 1 3 230.352 0.143 20 0 BCADHO C(c1nc2c(s1)CNCC2)N1CC[NH2+]CC1 ZINC000663494897 411674395 /nfs/dbraw/zinc/67/43/95/411674395.db2.gz LJNTXUVZTXHQHM-UHFFFAOYSA-N 1 3 238.360 0.194 20 0 BCADHO C[C@]1(CN2CC[C@@H]3COC[C@H]3C2)CC[NH2+]C1 ZINC000663500051 411683466 /nfs/dbraw/zinc/68/34/66/411683466.db2.gz IMZFEFWNHBWVJM-UPJWGTAASA-N 1 3 224.348 0.954 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643905 170796109 /nfs/dbraw/zinc/79/61/09/170796109.db2.gz BPQCYDRJPUNHJE-KATARQTJSA-N 1 3 231.315 0.176 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139788 412001745 /nfs/dbraw/zinc/00/17/45/412001745.db2.gz BTNPENVXZWDTHX-RWMBFGLXSA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662139788 412001748 /nfs/dbraw/zinc/00/17/48/412001748.db2.gz BTNPENVXZWDTHX-RWMBFGLXSA-N 1 3 244.379 0.249 20 0 BCADHO COCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662152715 412008691 /nfs/dbraw/zinc/00/86/91/412008691.db2.gz YDZPKMMRCLBOMG-ZDUSSCGKSA-N 1 3 242.363 0.554 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000219974915 412009063 /nfs/dbraw/zinc/00/90/63/412009063.db2.gz UHWANJPHWODOJM-SNVBAGLBSA-N 1 3 227.352 0.583 20 0 BCADHO CCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662153617 412009343 /nfs/dbraw/zinc/00/93/43/412009343.db2.gz ASCOIGAUIVVIDP-LBPRGKRZSA-N 1 3 212.337 0.927 20 0 BCADHO COC[C@H](CN1C[C@@H](C[NH3+])C[C@@H]1C)OC ZINC000662265549 412058786 /nfs/dbraw/zinc/05/87/86/412058786.db2.gz QXKRMOIVGLMIMP-AXFHLTTASA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@@H](CN)C[C@@H]1C)OC ZINC000662265549 412058788 /nfs/dbraw/zinc/05/87/88/412058788.db2.gz QXKRMOIVGLMIMP-AXFHLTTASA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@H+]1C[C@@H](CN)C[C@@H]1C)OC ZINC000662265549 412058790 /nfs/dbraw/zinc/05/87/90/412058790.db2.gz QXKRMOIVGLMIMP-AXFHLTTASA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@@H](C[N@H+](C)C1CCNCC1)OC ZINC000662238450 412034953 /nfs/dbraw/zinc/03/49/53/412034953.db2.gz QBJVMNWNGJVOPO-LLVKDONJSA-N 1 3 216.325 0.332 20 0 BCADHO COC[C@@H](C[N@@H+](C)C1CCNCC1)OC ZINC000662238450 412034955 /nfs/dbraw/zinc/03/49/55/412034955.db2.gz QBJVMNWNGJVOPO-LLVKDONJSA-N 1 3 216.325 0.332 20 0 BCADHO COC1CC[NH+](C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662249008 412046329 /nfs/dbraw/zinc/04/63/29/412046329.db2.gz NEVCHKZGLYOGHJ-GFCCVEGCSA-N 1 3 240.347 0.618 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C[C@H]1CNCCO1 ZINC000662248213 412046925 /nfs/dbraw/zinc/04/69/25/412046925.db2.gz WECZRLIOGLBJKE-VXGBXAGGSA-N 1 3 229.368 0.280 20 0 BCADHO CC(C)CCNC1(CO)CC[NH2+]CC1 ZINC000662286337 412052198 /nfs/dbraw/zinc/05/21/98/412052198.db2.gz RCKNTYGZBVDZSE-UHFFFAOYSA-N 1 3 200.326 0.737 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000353528468 171146432 /nfs/dbraw/zinc/14/64/32/171146432.db2.gz SWJNJNTVDGUZRU-BJDJZHNGSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)CC ZINC000353513199 171149303 /nfs/dbraw/zinc/14/93/03/171149303.db2.gz KRIJDTBLTZJGFI-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C([C@H]1CNCCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277572 412069481 /nfs/dbraw/zinc/06/94/81/412069481.db2.gz QFSVZJXDXLPINB-OLZOCXBDSA-N 1 3 239.363 0.050 20 0 BCADHO CO[C@H](C[N@H+](C)C[C@H](O)CN)C1CCCCC1 ZINC000662276902 412069730 /nfs/dbraw/zinc/06/97/30/412069730.db2.gz NDEVHCMDURRTPB-CHWSQXEVSA-N 1 3 244.379 0.833 20 0 BCADHO CO[C@H](C[N@@H+](C)C[C@H](O)CN)C1CCCCC1 ZINC000662276902 412069735 /nfs/dbraw/zinc/06/97/35/412069735.db2.gz NDEVHCMDURRTPB-CHWSQXEVSA-N 1 3 244.379 0.833 20 0 BCADHO CC[C@@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000128771295 171194534 /nfs/dbraw/zinc/19/45/34/171194534.db2.gz ZRTFWRLINAGSCA-LBPRGKRZSA-N 1 3 225.336 0.341 20 0 BCADHO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662286921 412077268 /nfs/dbraw/zinc/07/72/68/412077268.db2.gz UANFPPHWAJGCSP-UTUOFQBUSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662286921 412077275 /nfs/dbraw/zinc/07/72/75/412077275.db2.gz UANFPPHWAJGCSP-UTUOFQBUSA-N 1 3 240.347 0.353 20 0 BCADHO OCC1(NCCC2CCC2)CC[NH2+]CC1 ZINC000662285175 412077587 /nfs/dbraw/zinc/07/75/87/412077587.db2.gz YZEKYUPEBNWFDH-UHFFFAOYSA-N 1 3 212.337 0.881 20 0 BCADHO CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)N(C)C ZINC000120844026 171223862 /nfs/dbraw/zinc/22/38/62/171223862.db2.gz BSWUAHJWSNFPBE-GFCCVEGCSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)NC(C)(C)C[NH3+])N(CC)CC ZINC000359436708 171226266 /nfs/dbraw/zinc/22/62/66/171226266.db2.gz XTCJJJBNIUJFGQ-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C(=O)NCC[NH+](CC)CC)N(C)C ZINC000124409499 171227848 /nfs/dbraw/zinc/22/78/48/171227848.db2.gz LPWMBXBRUQHHEF-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CC[C@H](C(=O)NCC[N@H+](C)C1CC1)N(C)C ZINC000338269352 171227988 /nfs/dbraw/zinc/22/79/88/171227988.db2.gz CSVMASSHHGEPGW-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](C(=O)NCC[N@@H+](C)C1CC1)N(C)C ZINC000338269352 171227989 /nfs/dbraw/zinc/22/79/89/171227989.db2.gz CSVMASSHHGEPGW-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000338963478 171233504 /nfs/dbraw/zinc/23/35/04/171233504.db2.gz KCEDLNMJVPFPHL-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000338963478 171233506 /nfs/dbraw/zinc/23/35/06/171233506.db2.gz KCEDLNMJVPFPHL-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO OCC1(NCC[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000662284953 412077792 /nfs/dbraw/zinc/07/77/92/412077792.db2.gz SCKXHXZRFNBORD-GFCCVEGCSA-N 1 3 242.363 0.650 20 0 BCADHO C[N@H+](CCCN1CCOCC1)CC(C)(C)N ZINC000662293828 412082678 /nfs/dbraw/zinc/08/26/78/412082678.db2.gz WAZNKIGUXIFGRK-UHFFFAOYSA-N 1 3 229.368 0.378 20 0 BCADHO C[N@@H+](CCCN1CCOCC1)CC(C)(C)N ZINC000662293828 412082681 /nfs/dbraw/zinc/08/26/81/412082681.db2.gz WAZNKIGUXIFGRK-UHFFFAOYSA-N 1 3 229.368 0.378 20 0 BCADHO CCN1CC[C@H](N2CCC(CC[NH3+])CC2)C1=O ZINC000662285057 412078195 /nfs/dbraw/zinc/07/81/95/412078195.db2.gz VKDLGWFSIZORDJ-LBPRGKRZSA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514412 171331062 /nfs/dbraw/zinc/33/10/62/171331062.db2.gz MSRJWOZMLCSYIG-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000247331701 171392882 /nfs/dbraw/zinc/39/28/82/171392882.db2.gz VCRPGQDGARYNCS-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526598 171394384 /nfs/dbraw/zinc/39/43/84/171394384.db2.gz LOCPKPORQOJDHK-JQWIXIFHSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+](C)CC ZINC000054132969 171395189 /nfs/dbraw/zinc/39/51/89/171395189.db2.gz SOSFHJFTKIUKQD-UWVGGRQHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054132969 171395191 /nfs/dbraw/zinc/39/51/91/171395191.db2.gz SOSFHJFTKIUKQD-UWVGGRQHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368210735 171395665 /nfs/dbraw/zinc/39/56/65/171395665.db2.gz DFXIQIIYFADJNW-AXFHLTTASA-N 1 3 239.363 0.618 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCCC[C@@H]1C ZINC000662388593 412140055 /nfs/dbraw/zinc/14/00/55/412140055.db2.gz ROKIGTWSPPFYOI-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000662387167 412140374 /nfs/dbraw/zinc/14/03/74/412140374.db2.gz ITWWLEWYZVRGFT-UTUOFQBUSA-N 1 3 241.379 0.831 20 0 BCADHO [NH3+]CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662390278 412141295 /nfs/dbraw/zinc/14/12/95/412141295.db2.gz KUSYFHPLIOMZTO-UHFFFAOYSA-N 1 3 225.317 0.082 20 0 BCADHO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCCN ZINC000662301227 412087512 /nfs/dbraw/zinc/08/75/12/412087512.db2.gz PMDRXCVYXFLKDJ-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H](CO)[C@H]1CCCC[N@H+]1CCCN ZINC000662301227 412087514 /nfs/dbraw/zinc/08/75/14/412087514.db2.gz PMDRXCVYXFLKDJ-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H](CO)[C@H]1CCCCN1CCC[NH3+] ZINC000662301227 412087517 /nfs/dbraw/zinc/08/75/17/412087517.db2.gz PMDRXCVYXFLKDJ-GHMZBOCLSA-N 1 3 200.326 0.818 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314410 412095541 /nfs/dbraw/zinc/09/55/41/412095541.db2.gz PABORIIHQOULCV-GRYCIOLGSA-N 1 3 230.352 0.456 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000662314410 412095545 /nfs/dbraw/zinc/09/55/45/412095545.db2.gz PABORIIHQOULCV-GRYCIOLGSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCC(C)CC1 ZINC000662389453 412141976 /nfs/dbraw/zinc/14/19/76/412141976.db2.gz XOZNIJCZYBVKFJ-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662332464 412106342 /nfs/dbraw/zinc/10/63/42/412106342.db2.gz WDQNDNVLTIOYIX-ZYHUDNBSSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662332464 412106347 /nfs/dbraw/zinc/10/63/47/412106347.db2.gz WDQNDNVLTIOYIX-ZYHUDNBSSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)C[C@H]1CC1(C)C ZINC000662332464 412106350 /nfs/dbraw/zinc/10/63/50/412106350.db2.gz WDQNDNVLTIOYIX-ZYHUDNBSSA-N 1 3 214.353 0.935 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662338634 412107878 /nfs/dbraw/zinc/10/78/78/412107878.db2.gz NJFPMPOWAYQQTF-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO COC[C@@H](N[C@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236318 412176452 /nfs/dbraw/zinc/17/64/52/412176452.db2.gz KFUDDIMIISHEPU-ZWNOBZJWSA-N 1 3 242.363 0.626 20 0 BCADHO COC[C@@H]([NH2+][C@H](C)C1CNC1)C1CCOCC1 ZINC000665236318 412176457 /nfs/dbraw/zinc/17/64/57/412176457.db2.gz KFUDDIMIISHEPU-ZWNOBZJWSA-N 1 3 242.363 0.626 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000662442111 412177093 /nfs/dbraw/zinc/17/70/93/412177093.db2.gz QJPLFGZMECNPAR-MWLCHTKSSA-N 1 3 227.352 0.583 20 0 BCADHO COC[C@@H](N[C@@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236316 412177287 /nfs/dbraw/zinc/17/72/87/412177287.db2.gz KFUDDIMIISHEPU-GXFFZTMASA-N 1 3 242.363 0.626 20 0 BCADHO COC[C@@H]([NH2+][C@@H](C)C1CNC1)C1CCOCC1 ZINC000665236316 412177290 /nfs/dbraw/zinc/17/72/90/412177290.db2.gz KFUDDIMIISHEPU-GXFFZTMASA-N 1 3 242.363 0.626 20 0 BCADHO CO[C@@H](C)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000665244608 412188846 /nfs/dbraw/zinc/18/88/46/412188846.db2.gz RWNLYSSEJXSWQK-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000665244608 412188848 /nfs/dbraw/zinc/18/88/48/412188848.db2.gz RWNLYSSEJXSWQK-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@@H](C)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000665244611 412189115 /nfs/dbraw/zinc/18/91/15/412189115.db2.gz RWNLYSSEJXSWQK-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@@H](C)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000665244611 412189116 /nfs/dbraw/zinc/18/91/16/412189116.db2.gz RWNLYSSEJXSWQK-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665245332 412189773 /nfs/dbraw/zinc/18/97/73/412189773.db2.gz FSXANZXUBQVJPR-GWOFURMSSA-N 1 3 216.325 0.363 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000662486270 412191052 /nfs/dbraw/zinc/19/10/52/412191052.db2.gz WEDSCVGJNNKHSX-GRYCIOLGSA-N 1 3 239.363 0.680 20 0 BCADHO CC1(C)NC(=O)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665246522 412191143 /nfs/dbraw/zinc/19/11/43/412191143.db2.gz HNIDRWNNSPSOKG-SNVBAGLBSA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000662514197 412201596 /nfs/dbraw/zinc/20/15/96/412201596.db2.gz LIRBXOGIUVDUHD-NWDGAFQWSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000662514199 412201716 /nfs/dbraw/zinc/20/17/16/412201716.db2.gz LIRBXOGIUVDUHD-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000665262008 412203486 /nfs/dbraw/zinc/20/34/86/412203486.db2.gz QYROEHKQPCDSNT-GMTAPVOTSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000665262008 412203491 /nfs/dbraw/zinc/20/34/91/412203491.db2.gz QYROEHKQPCDSNT-GMTAPVOTSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000665262010 412204502 /nfs/dbraw/zinc/20/45/02/412204502.db2.gz QYROEHKQPCDSNT-MXWKQRLJSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000665262010 412204504 /nfs/dbraw/zinc/20/45/04/412204504.db2.gz QYROEHKQPCDSNT-MXWKQRLJSA-N 1 3 200.326 0.735 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000662539666 412208304 /nfs/dbraw/zinc/20/83/04/412208304.db2.gz HBKWPWNDDNTXHU-KXUCPTDWSA-N 1 3 225.336 0.336 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662550670 412212518 /nfs/dbraw/zinc/21/25/18/412212518.db2.gz FHLFQUJLUCHNTB-VIFPVBQESA-N 1 3 233.315 0.757 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662395941 412146359 /nfs/dbraw/zinc/14/63/59/412146359.db2.gz MOBJCVFNCXHKCG-LLVKDONJSA-N 1 3 237.347 0.481 20 0 BCADHO C[NH2+]CCCNC(=O)c1cccc2c1CCNC2 ZINC000662397910 412147426 /nfs/dbraw/zinc/14/74/26/412147426.db2.gz MBFLYJOZLDMOCP-UHFFFAOYSA-N 1 3 247.342 0.672 20 0 BCADHO CC[NH2+]CCCNC(=O)CNC(C)C ZINC000662398804 412147899 /nfs/dbraw/zinc/14/78/99/412147899.db2.gz CNLBJEFRRLQFCP-UHFFFAOYSA-N 1 3 201.314 0.100 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)C1(NC2CC2)CCC1 ZINC000662400811 412148760 /nfs/dbraw/zinc/14/87/60/412148760.db2.gz GKAGVUZNKDSWEO-JTQLQIEISA-N 1 3 223.320 0.139 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000662405606 412152108 /nfs/dbraw/zinc/15/21/08/412152108.db2.gz ZPMAILWHBRLGGS-GUBZILKMSA-N 1 3 213.325 0.099 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)CNC(C)C)C1 ZINC000662413356 412156570 /nfs/dbraw/zinc/15/65/70/412156570.db2.gz FFUQZOTWXXFHGP-JTQLQIEISA-N 1 3 213.325 0.052 20 0 BCADHO CN(CCC[NH3+])C(=O)c1cccc2c1CNC2 ZINC000662420215 412161397 /nfs/dbraw/zinc/16/13/97/412161397.db2.gz DWAFRKIIKLNFCF-UHFFFAOYSA-N 1 3 233.315 0.711 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000662420281 412161450 /nfs/dbraw/zinc/16/14/50/412161450.db2.gz SEXBVDATNWFZEW-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000662420282 412162028 /nfs/dbraw/zinc/16/20/28/412162028.db2.gz SEXBVDATNWFZEW-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)([NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662424160 412163503 /nfs/dbraw/zinc/16/35/03/412163503.db2.gz PNMYCMOLHKELFJ-UHFFFAOYSA-N 1 3 247.342 0.799 20 0 BCADHO [NH3+]C[C@H]1CCCN1C(=O)c1cccc2c1CNC2 ZINC000662426250 412165021 /nfs/dbraw/zinc/16/50/21/412165021.db2.gz VTJLMOYIAGXQSP-LLVKDONJSA-N 1 3 245.326 0.853 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000662425230 412165193 /nfs/dbraw/zinc/16/51/93/412165193.db2.gz YSKAMNNDNCOPAH-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO COC[C@H](CCN[C@H]1C[NH2+]CC[C@H]1C)OC ZINC000665235319 412165638 /nfs/dbraw/zinc/16/56/38/412165638.db2.gz UEGXJWWYCAAKHZ-WOPDTQHZSA-N 1 3 230.352 0.626 20 0 BCADHO CCN(CC)CC(=O)NCC1([NH3+])CCCC1 ZINC000662650610 412257859 /nfs/dbraw/zinc/25/78/59/412257859.db2.gz CGRMGNUGPVSRKM-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662655723 412258404 /nfs/dbraw/zinc/25/84/04/412258404.db2.gz RMNYDCOOTHHMCS-UWVGGRQHSA-N 1 3 227.352 0.748 20 0 BCADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCCN1CCCC1 ZINC000662669092 412266416 /nfs/dbraw/zinc/26/64/16/412266416.db2.gz VCHDBRAVIOCVQV-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)N(C)C ZINC000662693041 412267419 /nfs/dbraw/zinc/26/74/19/412267419.db2.gz NCEFQGRFSHUJHN-VHSXEESVSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)N(C)C ZINC000662679790 412268134 /nfs/dbraw/zinc/26/81/34/412268134.db2.gz BTDKDPQVWKYHNL-AKJDGMEZSA-N 1 3 239.363 0.522 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662679774 412268899 /nfs/dbraw/zinc/26/88/99/412268899.db2.gz BSESZVRCBQWMJY-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662683657 412269537 /nfs/dbraw/zinc/26/95/37/412269537.db2.gz VJLPTEAYRIHXNG-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662685797 412270425 /nfs/dbraw/zinc/27/04/25/412270425.db2.gz XWEUEPRZMAAYHQ-SRVKXCTJSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000662692717 412273115 /nfs/dbraw/zinc/27/31/15/412273115.db2.gz FYPHDAUGKJLJDN-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CNCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000662693600 412273304 /nfs/dbraw/zinc/27/33/04/412273304.db2.gz KDSBDOOCKAKCQX-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000662693283 412273713 /nfs/dbraw/zinc/27/37/13/412273713.db2.gz IXAOZBYAXLCZGJ-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000662703514 412276568 /nfs/dbraw/zinc/27/65/68/412276568.db2.gz LBJZXNIAHCRHFX-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723074 412284054 /nfs/dbraw/zinc/28/40/54/412284054.db2.gz DOHHYLJFDKAAFH-SQLBVSGCSA-N 1 3 225.336 0.228 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723941 412284223 /nfs/dbraw/zinc/28/42/23/412284223.db2.gz JPRJFSIZEPRIEY-ZYXZCXLHSA-N 1 3 225.336 0.372 20 0 BCADHO CCN(CC)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662729204 412285858 /nfs/dbraw/zinc/28/58/58/412285858.db2.gz HCWGNGQKSSBZSE-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662731470 412286657 /nfs/dbraw/zinc/28/66/57/412286657.db2.gz DFWHCWPBYBRLAT-NAKRPEOUSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)NCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731767 412286986 /nfs/dbraw/zinc/28/69/86/412286986.db2.gz IZBXPBXXUDDPSJ-SNVBAGLBSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CN3)CCO1 ZINC000665278341 412220477 /nfs/dbraw/zinc/22/04/77/412220477.db2.gz BLUCJANWLOGCIZ-VOBJUBJWSA-N 1 3 210.321 0.896 20 0 BCADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc2c1CNC2 ZINC000662565582 412221211 /nfs/dbraw/zinc/22/12/11/412221211.db2.gz PEAACWUYALPUES-ITGUQSILSA-N 1 3 243.310 0.237 20 0 BCADHO C[C@H](C[C@H]1COCCN1)NCC12CC(C1)C[NH2+]2 ZINC000665279465 412221734 /nfs/dbraw/zinc/22/17/34/412221734.db2.gz CWYCGTSFHGKZFI-IGJPJIBNSA-N 1 3 239.363 0.095 20 0 BCADHO C[C@@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000665277517 412221815 /nfs/dbraw/zinc/22/18/15/412221815.db2.gz DFDRRKNGBCCXRT-KTEZZQQRSA-N 1 3 235.375 0.953 20 0 BCADHO C[C@@H]([NH2+]CC12CC(C1)CN2)C(C)(C)n1cncn1 ZINC000665279528 412223440 /nfs/dbraw/zinc/22/34/40/412223440.db2.gz FRHLECUIHPQFEF-XSRFYTQQSA-N 1 3 249.362 0.743 20 0 BCADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(N)=O ZINC000665279943 412224955 /nfs/dbraw/zinc/22/49/55/412224955.db2.gz PUZBKYKBZSMQER-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO C[NH2+]C[C@@H](C)N[C@@H](C)C1CCOCC1 ZINC000665296691 412232238 /nfs/dbraw/zinc/23/22/38/412232238.db2.gz WLRUUMAVGZGATA-ZJUUUORDSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592166 412233433 /nfs/dbraw/zinc/23/34/33/412233433.db2.gz XOBYIEJNVOTVPA-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C(N)C(F)(F)F ZINC000662605956 412237502 /nfs/dbraw/zinc/23/75/02/412237502.db2.gz VPTCWRNWCSCCQV-RXMQYKEDSA-N 1 3 227.230 0.072 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C(N)C(F)(F)F ZINC000662605958 412237818 /nfs/dbraw/zinc/23/78/18/412237818.db2.gz VPTCWRNWCSCCQV-YFKPBYRVSA-N 1 3 227.230 0.072 20 0 BCADHO CC(C)[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662604997 412237966 /nfs/dbraw/zinc/23/79/66/412237966.db2.gz IMYXACFJSFLRSO-QMMMGPOBSA-N 1 3 201.314 0.165 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611638 412240355 /nfs/dbraw/zinc/24/03/55/412240355.db2.gz BZBRKJLFDMUAJR-SECBINFHSA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@H](N[C@@H](C)C[NH2+]C)[C@@H]1CCOC1 ZINC000665295621 412242557 /nfs/dbraw/zinc/24/25/57/412242557.db2.gz GRKPHDPTRUQROY-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000665299742 412245870 /nfs/dbraw/zinc/24/58/70/412245870.db2.gz RXEVCQHPHKHSIB-OUAUKWLOSA-N 1 3 248.392 0.527 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CN)S(C)(=O)=O ZINC000665299742 412245874 /nfs/dbraw/zinc/24/58/74/412245874.db2.gz RXEVCQHPHKHSIB-OUAUKWLOSA-N 1 3 248.392 0.527 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662636005 412252429 /nfs/dbraw/zinc/25/24/29/412252429.db2.gz XHGCQDMDMPJKRV-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662636002 412252706 /nfs/dbraw/zinc/25/27/06/412252706.db2.gz XHGCQDMDMPJKRV-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](NC)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000662815385 412309039 /nfs/dbraw/zinc/30/90/39/412309039.db2.gz DJGMZISLUFFUKI-VXGBXAGGSA-N 1 3 247.342 0.901 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662823877 412311926 /nfs/dbraw/zinc/31/19/26/412311926.db2.gz YFGCIQCUUWLWHM-HAQNSBGRSA-N 1 3 239.363 0.666 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000662828998 412314262 /nfs/dbraw/zinc/31/42/62/412314262.db2.gz KEVNUMIGZBOTCC-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662837773 412317084 /nfs/dbraw/zinc/31/70/84/412317084.db2.gz KZICEJBNLOMQAC-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662837773 412317085 /nfs/dbraw/zinc/31/70/85/412317085.db2.gz KZICEJBNLOMQAC-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662851893 412323274 /nfs/dbraw/zinc/32/32/74/412323274.db2.gz FERQTJIRJXQWOS-AXFHLTTASA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CCNC(=O)[C@H]1CCCCN1)[NH+](C)C ZINC000662860379 412328320 /nfs/dbraw/zinc/32/83/20/412328320.db2.gz RIZXYWCUSAYDCJ-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000662864684 412329815 /nfs/dbraw/zinc/32/98/15/412329815.db2.gz FFPZHUZNYBMFDT-VXGBXAGGSA-N 1 3 233.315 0.207 20 0 BCADHO CC(C)[C@H](C(=O)N1CC2CC1(C[NH3+])C2)N(C)C ZINC000662874896 412332188 /nfs/dbraw/zinc/33/21/88/412332188.db2.gz BTDKDPQVWKYHNL-QWKFWESOSA-N 1 3 239.363 0.522 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H](C)C[NH2+]C ZINC000662953951 412352512 /nfs/dbraw/zinc/35/25/12/412352512.db2.gz RRGVELSHVZRWFY-WCBMZHEXSA-N 1 3 201.314 0.228 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C1(N)CCCCC1 ZINC000662954754 412353409 /nfs/dbraw/zinc/35/34/09/412353409.db2.gz YVOODMUDEJSYIA-VIFPVBQESA-N 1 3 213.325 0.372 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C1(N)Cc2ccccc2C1 ZINC000662953161 412353436 /nfs/dbraw/zinc/35/34/36/412353436.db2.gz KKYCQFVXUFSLCR-JTQLQIEISA-N 1 3 247.342 0.207 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C)N(CC)CC ZINC000662965490 412357915 /nfs/dbraw/zinc/35/79/15/412357915.db2.gz LSKLDLRORUXBFA-GHMZBOCLSA-N 1 3 229.368 0.831 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662744602 412289853 /nfs/dbraw/zinc/28/98/53/412289853.db2.gz AEDPEUBHUJAANJ-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO N[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CC[C@H]1F ZINC000662750180 412291000 /nfs/dbraw/zinc/29/10/00/412291000.db2.gz STWIJSHPLYDJBX-BBBLOLIVSA-N 1 3 229.299 0.012 20 0 BCADHO O=C(NCC1C[NH2+]C1)c1cccc2c1CCNC2 ZINC000662763016 412293725 /nfs/dbraw/zinc/29/37/25/412293725.db2.gz HZVOTORFBIHYNP-UHFFFAOYSA-N 1 3 245.326 0.282 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000662776695 412298853 /nfs/dbraw/zinc/29/88/53/412298853.db2.gz YPTOPQBHNCXHGS-BBBLOLIVSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc2c1CCNC2 ZINC000662783472 412300585 /nfs/dbraw/zinc/30/05/85/412300585.db2.gz PISFBPSAJCPELI-NXEZZACHSA-N 1 3 247.342 0.798 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662784684 412301385 /nfs/dbraw/zinc/30/13/85/412301385.db2.gz VRJGEFNXOJOPPN-BDAKNGLRSA-N 1 3 225.336 0.513 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662783843 412301578 /nfs/dbraw/zinc/30/15/78/412301578.db2.gz RSYIAPLWQUOQMY-VIFPVBQESA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000662785951 412301939 /nfs/dbraw/zinc/30/19/39/412301939.db2.gz XJQAHEVSHDFHSD-JTQLQIEISA-N 1 3 239.363 0.905 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662787684 412302475 /nfs/dbraw/zinc/30/24/75/412302475.db2.gz AYQSIVIZTGHBOL-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CN1CCC(C(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663011773 412369567 /nfs/dbraw/zinc/36/95/67/412369567.db2.gz RQQSZKMOQBKWPN-LBPRGKRZSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)N(CC)CC ZINC000663011729 412369650 /nfs/dbraw/zinc/36/96/50/412369650.db2.gz QTBKKOUMFFIMGP-DGCLKSJQSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N(CC)CC ZINC000663011731 412370326 /nfs/dbraw/zinc/37/03/26/412370326.db2.gz QTBKKOUMFFIMGP-YPMHNXCESA-N 1 3 241.379 0.975 20 0 BCADHO CN(C(=O)C[C@H](N)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178806819 172314213 /nfs/dbraw/zinc/31/42/13/172314213.db2.gz RIHHHSIITWBOJV-OLZOCXBDSA-N 1 3 247.342 0.897 20 0 BCADHO CN(C(=O)[C@@H](CN)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000179061910 172324869 /nfs/dbraw/zinc/32/48/69/172324869.db2.gz YYMRFGJTXNJMKO-OLZOCXBDSA-N 1 3 247.342 0.549 20 0 BCADHO CN(C(=O)[C@H](CN)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000179061949 172331970 /nfs/dbraw/zinc/33/19/70/172331970.db2.gz YYMRFGJTXNJMKO-QWHCGFSZSA-N 1 3 247.342 0.549 20 0 BCADHO CN1CCC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000040673646 173020710 /nfs/dbraw/zinc/02/07/10/173020710.db2.gz MOPWEKGNEWQRKR-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000309221327 173029870 /nfs/dbraw/zinc/02/98/70/173029870.db2.gz YEAFOXKKCHNACM-SFYZADRCSA-N 1 3 235.278 0.179 20 0 BCADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000309221327 173029871 /nfs/dbraw/zinc/02/98/71/173029871.db2.gz YEAFOXKKCHNACM-SFYZADRCSA-N 1 3 235.278 0.179 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226393984 173030348 /nfs/dbraw/zinc/03/03/48/173030348.db2.gz LULKURQZZRDSQR-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000226394821 173030591 /nfs/dbraw/zinc/03/05/91/173030591.db2.gz RVQQMYVYWKRONE-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000226394570 173031968 /nfs/dbraw/zinc/03/19/68/173031968.db2.gz GRPKGLUGWSUJST-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CN(C[C@H]1CCCN(C)C1)C(=O)CCC[NH3+] ZINC000237085212 173038450 /nfs/dbraw/zinc/03/84/50/173038450.db2.gz DOWMEMDHAAPKGB-NSHDSACASA-N 1 3 227.352 0.526 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@H](CO)C1 ZINC000305621774 173053047 /nfs/dbraw/zinc/05/30/47/173053047.db2.gz IGSPECDIAYJOTE-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@H](CO)C1 ZINC000305621774 173053050 /nfs/dbraw/zinc/05/30/50/173053050.db2.gz IGSPECDIAYJOTE-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000226394285 173053758 /nfs/dbraw/zinc/05/37/58/173053758.db2.gz DUWILBOACWSFKA-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@H]2C[N@H+](CCCO)CC[C@H]21 ZINC000227342764 173058272 /nfs/dbraw/zinc/05/82/72/173058272.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CCC[C@H]2C[N@@H+](CCCO)CC[C@H]21 ZINC000227342764 173058273 /nfs/dbraw/zinc/05/82/73/173058273.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(CCCO)CC[C@H]21 ZINC000227342764 173058274 /nfs/dbraw/zinc/05/82/74/173058274.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(CCCO)CC[C@H]21 ZINC000227342764 173058275 /nfs/dbraw/zinc/05/82/75/173058275.db2.gz QBVUDGSVTGYKIO-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336358745 173109682 /nfs/dbraw/zinc/10/96/82/173109682.db2.gz JIBZJBNGOMPNRF-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336358745 173109683 /nfs/dbraw/zinc/10/96/83/173109683.db2.gz JIBZJBNGOMPNRF-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CN1CC[C@@H](N2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000310516936 173119723 /nfs/dbraw/zinc/11/97/23/173119723.db2.gz MPOLCCKJMGFVHJ-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359089651 173280496 /nfs/dbraw/zinc/28/04/96/173280496.db2.gz BSTVUVJDGVUCAE-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@@H](C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000359089651 173280497 /nfs/dbraw/zinc/28/04/97/173280497.db2.gz BSTVUVJDGVUCAE-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000308845653 173281258 /nfs/dbraw/zinc/28/12/58/173281258.db2.gz AAPGHDNRUNMAEQ-VHSXEESVSA-N 1 3 215.341 0.441 20 0 BCADHO CNC(=O)C[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000308845651 173282499 /nfs/dbraw/zinc/28/24/99/173282499.db2.gz AAPGHDNRUNMAEQ-UWVGGRQHSA-N 1 3 215.341 0.441 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000358288768 173283106 /nfs/dbraw/zinc/28/31/06/173283106.db2.gz OHUVEHZWMSBIQW-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000358288768 173283107 /nfs/dbraw/zinc/28/31/07/173283107.db2.gz OHUVEHZWMSBIQW-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO CNC(=O)[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000051919239 173298650 /nfs/dbraw/zinc/29/86/50/173298650.db2.gz RIORFFPCVVBEKT-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)CC(C)(C)N ZINC000309001513 173301530 /nfs/dbraw/zinc/30/15/30/173301530.db2.gz OFHIJOZKSUZNKK-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)CC(C)(C)N ZINC000309001513 173301531 /nfs/dbraw/zinc/30/15/31/173301531.db2.gz OFHIJOZKSUZNKK-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO CNCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366626522 173326295 /nfs/dbraw/zinc/32/62/95/173326295.db2.gz BQCGJVRNGCUVOC-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371263364 173327007 /nfs/dbraw/zinc/32/70/07/173327007.db2.gz XWAGAMMZCPNGCH-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371263364 173327009 /nfs/dbraw/zinc/32/70/09/173327009.db2.gz XWAGAMMZCPNGCH-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000366626521 173327101 /nfs/dbraw/zinc/32/71/01/173327101.db2.gz BQCGJVRNGCUVOC-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000037041713 173327412 /nfs/dbraw/zinc/32/74/12/173327412.db2.gz FEQMSUWVTBZRSO-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO CNCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000249579723 173327922 /nfs/dbraw/zinc/32/79/22/173327922.db2.gz NCIAIOIJTQPBMK-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CNCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000249579723 173327923 /nfs/dbraw/zinc/32/79/23/173327923.db2.gz NCIAIOIJTQPBMK-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CNCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237206831 173328121 /nfs/dbraw/zinc/32/81/21/173328121.db2.gz BKFVCLOBFPRCME-GFCCVEGCSA-N 1 3 239.363 0.540 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237235673 173330080 /nfs/dbraw/zinc/33/00/80/173330080.db2.gz RJZZNEZGHVSIBX-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237235673 173330082 /nfs/dbraw/zinc/33/00/82/173330082.db2.gz RJZZNEZGHVSIBX-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831283 173330572 /nfs/dbraw/zinc/33/05/72/173330572.db2.gz JYGCAOFILRGXRX-JTQLQIEISA-N 1 3 215.341 0.298 20 0 BCADHO CNCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237262335 173331841 /nfs/dbraw/zinc/33/18/41/173331841.db2.gz QRTMGVRYNABFQP-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000083362630 173347863 /nfs/dbraw/zinc/34/78/63/173347863.db2.gz BMPGNSLGHPWLAF-LBPRGKRZSA-N 1 3 235.331 0.282 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](C)[C@@H](N)c1ccccc1 ZINC000237075116 173355060 /nfs/dbraw/zinc/35/50/60/173355060.db2.gz JTFUEIARPKWILN-ZYHUDNBSSA-N 1 3 235.331 0.658 20 0 BCADHO CN[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000054076737 173412259 /nfs/dbraw/zinc/41/22/59/173412259.db2.gz QZRZINYWWWYNHW-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO COCCCN(CCO)C[C@H]1CCC[NH2+]C1 ZINC000339430636 174223300 /nfs/dbraw/zinc/22/33/00/174223300.db2.gz HNDPARFDKLYRFB-LBPRGKRZSA-N 1 3 230.352 0.317 20 0 BCADHO COCCC[N@H+](CCO)C[C@H]1CCCNC1 ZINC000339430636 174223301 /nfs/dbraw/zinc/22/33/01/174223301.db2.gz HNDPARFDKLYRFB-LBPRGKRZSA-N 1 3 230.352 0.317 20 0 BCADHO COCCC[N@@H+](CCO)C[C@H]1CCCNC1 ZINC000339430636 174223303 /nfs/dbraw/zinc/22/33/03/174223303.db2.gz HNDPARFDKLYRFB-LBPRGKRZSA-N 1 3 230.352 0.317 20 0 BCADHO COCC[NH2+]CCNC(=O)C1(N)CCCCC1 ZINC000237266422 174332892 /nfs/dbraw/zinc/33/28/92/174332892.db2.gz VIKSETIHNVXNDS-UHFFFAOYSA-N 1 3 243.351 0.000 20 0 BCADHO COCCOCC[N@H+](C)C1CCNCC1 ZINC000070028328 174352190 /nfs/dbraw/zinc/35/21/90/174352190.db2.gz MJYFVUPOBQAOKQ-UHFFFAOYSA-N 1 3 216.325 0.333 20 0 BCADHO COCCOCC[N@@H+](C)C1CCNCC1 ZINC000070028328 174352192 /nfs/dbraw/zinc/35/21/92/174352192.db2.gz MJYFVUPOBQAOKQ-UHFFFAOYSA-N 1 3 216.325 0.333 20 0 BCADHO COCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309944378 174382448 /nfs/dbraw/zinc/38/24/48/174382448.db2.gz CTLBSQXFBOGCEO-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CCOC[C@H]1C ZINC000383496483 487629567 /nfs/dbraw/zinc/62/95/67/487629567.db2.gz DGCZBFUVMBIEGR-JHJVBQTASA-N 1 3 244.379 0.702 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CCOC[C@H]1C ZINC000383496483 487629574 /nfs/dbraw/zinc/62/95/74/487629574.db2.gz DGCZBFUVMBIEGR-JHJVBQTASA-N 1 3 244.379 0.702 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H]1CCOC[C@H]1C ZINC000383496482 487629862 /nfs/dbraw/zinc/62/98/62/487629862.db2.gz DGCZBFUVMBIEGR-FRRDWIJNSA-N 1 3 244.379 0.702 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H]1CCOC[C@H]1C ZINC000383496482 487629865 /nfs/dbraw/zinc/62/98/65/487629865.db2.gz DGCZBFUVMBIEGR-FRRDWIJNSA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H]1CCCN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000303253938 176096964 /nfs/dbraw/zinc/09/69/64/176096964.db2.gz DMLPRDIUXLORBG-SECBINFHSA-N 1 3 212.341 0.980 20 0 BCADHO C[C@@H]1CCC[C@@](CNC(=O)CN)([NH+](C)C)C1 ZINC000040670494 176133637 /nfs/dbraw/zinc/13/36/37/176133637.db2.gz NNFNRKIXHDZCIX-ZYHUDNBSSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CCC[C@](CNC(=O)CN)([NH+](C)C)C1 ZINC000040670499 176151942 /nfs/dbraw/zinc/15/19/42/176151942.db2.gz NNFNRKIXHDZCIX-PWSUYJOCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000336343913 176166478 /nfs/dbraw/zinc/16/64/78/176166478.db2.gz CWGFRCYRYGTVBG-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336343913 176166480 /nfs/dbraw/zinc/16/64/80/176166480.db2.gz CWGFRCYRYGTVBG-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)NCC(C)(C)[NH3+] ZINC000335285590 176166758 /nfs/dbraw/zinc/16/67/58/176166758.db2.gz MOAWKLNDWUCICO-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000362740281 176271624 /nfs/dbraw/zinc/27/16/24/176271624.db2.gz HXWWWPLYMZSOIC-UTUOFQBUSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000362740281 176271625 /nfs/dbraw/zinc/27/16/25/176271625.db2.gz HXWWWPLYMZSOIC-UTUOFQBUSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCOCCO ZINC000036908374 176278221 /nfs/dbraw/zinc/27/82/21/176278221.db2.gz AUILJWBNYPIDRC-UTUOFQBUSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCOCCO ZINC000036908374 176278222 /nfs/dbraw/zinc/27/82/22/176278222.db2.gz AUILJWBNYPIDRC-UTUOFQBUSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000094460010 176322996 /nfs/dbraw/zinc/32/29/96/176322996.db2.gz QRVWWBVCEYQBPX-IJLUTSLNSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000335895223 176328326 /nfs/dbraw/zinc/32/83/26/176328326.db2.gz JWJZROXWXPXONQ-GHMZBOCLSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCNCC2)C1 ZINC000037482552 176360848 /nfs/dbraw/zinc/36/08/48/176360848.db2.gz XJFYXRDCBCSBDN-CHWSQXEVSA-N 1 3 225.380 0.870 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1C ZINC000132917434 176373978 /nfs/dbraw/zinc/37/39/78/176373978.db2.gz TVIMEBFVRVYYOQ-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000237569012 176374242 /nfs/dbraw/zinc/37/42/42/176374242.db2.gz FKNVQCUKBXYISZ-GMTAPVOTSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H]1C[C@@H]1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352544925 176391289 /nfs/dbraw/zinc/39/12/89/176391289.db2.gz DTXXQYWTYBHUDE-UPJWGTAASA-N 1 3 223.364 0.622 20 0 BCADHO C[C@H](N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000309419959 176753745 /nfs/dbraw/zinc/75/37/45/176753745.db2.gz JSRPWSHJEHBYNT-YUMQZZPRSA-N 1 3 207.277 0.992 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)CCC[NH3+] ZINC000237509202 177075962 /nfs/dbraw/zinc/07/59/62/177075962.db2.gz CAGFTMWFJLENJB-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]1[C@@H](C)CC[N@@H+]1CCN1CCNCC1 ZINC000335653176 177160981 /nfs/dbraw/zinc/16/09/81/177160981.db2.gz WCIRDCCNTNBJFF-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1[C@@H](C)CC[N@H+]1CCN1CCNCC1 ZINC000335653176 177160982 /nfs/dbraw/zinc/16/09/82/177160982.db2.gz WCIRDCCNTNBJFF-NWDGAFQWSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1COCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000354409878 177295410 /nfs/dbraw/zinc/29/54/10/177295410.db2.gz LVCBTYJFRDQPTB-RYUDHWBXSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637887 177313292 /nfs/dbraw/zinc/31/32/92/177313292.db2.gz NQGWWFAHDKQRTL-USZNOCQGSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](N)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237637887 177313294 /nfs/dbraw/zinc/31/32/94/177313294.db2.gz NQGWWFAHDKQRTL-USZNOCQGSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CCC2)CC[N@@H+]1C ZINC000309098292 177332046 /nfs/dbraw/zinc/33/20/46/177332046.db2.gz DOYRWRDJQGZENF-RYUDHWBXSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CCC2)CC[N@H+]1C ZINC000309098292 177332047 /nfs/dbraw/zinc/33/20/47/177332047.db2.gz DOYRWRDJQGZENF-RYUDHWBXSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346181839 177354034 /nfs/dbraw/zinc/35/40/34/177354034.db2.gz BVNMDPATBBTYAA-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346181839 177354035 /nfs/dbraw/zinc/35/40/35/177354035.db2.gz BVNMDPATBBTYAA-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000331759732 177368193 /nfs/dbraw/zinc/36/81/93/177368193.db2.gz JWSFPNGCBJQTNN-UTLUCORTSA-N 1 3 240.351 0.258 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCOCCO ZINC000036908375 177370221 /nfs/dbraw/zinc/37/02/21/177370221.db2.gz AUILJWBNYPIDRC-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCOCCO ZINC000036908375 177370222 /nfs/dbraw/zinc/37/02/22/177370222.db2.gz AUILJWBNYPIDRC-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000493966380 226259439 /nfs/dbraw/zinc/25/94/39/226259439.db2.gz AGQBAYFGQSUNOF-JBLDHEPKSA-N 1 3 239.363 0.665 20 0 BCADHO CN(C(=O)CNC1CC1)C1(C[NH3+])CCC1 ZINC000557193188 322935108 /nfs/dbraw/zinc/93/51/08/322935108.db2.gz GMIFLTQQXRKURK-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCCCC[C@@H]1CO ZINC000383660675 487658882 /nfs/dbraw/zinc/65/88/82/487658882.db2.gz LNBVKDSQKRLDGS-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCCCC[C@@H]1CO ZINC000383660675 487658883 /nfs/dbraw/zinc/65/88/83/487658883.db2.gz LNBVKDSQKRLDGS-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CC12CC2 ZINC000424376843 229159937 /nfs/dbraw/zinc/15/99/37/229159937.db2.gz PZDGPJYYCRYADI-NAKRPEOUSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424376843 229159944 /nfs/dbraw/zinc/15/99/44/229159944.db2.gz PZDGPJYYCRYADI-NAKRPEOUSA-N 1 3 210.321 0.881 20 0 BCADHO C[NH+](C)C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000088050417 487696349 /nfs/dbraw/zinc/69/63/49/487696349.db2.gz VXVAXWVEXIZRIH-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050500 487696597 /nfs/dbraw/zinc/69/65/97/487696597.db2.gz DEQUSNLPMNBKSY-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)C2(N)CCC2)C1 ZINC000088050500 487696602 /nfs/dbraw/zinc/69/66/02/487696602.db2.gz DEQUSNLPMNBKSY-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC[NH2+]CC1CCN(CC(=O)N(C)C)CC1 ZINC000082645656 487704430 /nfs/dbraw/zinc/70/44/30/487704430.db2.gz LDBGPJNKWSQRIJ-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CCC[NH2+]CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403288 487705455 /nfs/dbraw/zinc/70/54/55/487705455.db2.gz SAVZGSVERLYBBY-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403193 487705471 /nfs/dbraw/zinc/70/54/71/487705471.db2.gz OIVNJJXMLQYDDI-WDEREUQCSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)CCN1 ZINC000669403344 487705542 /nfs/dbraw/zinc/70/55/42/487705542.db2.gz WADWGACERJHYNI-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCN1 ZINC000669403344 487705546 /nfs/dbraw/zinc/70/55/46/487705546.db2.gz WADWGACERJHYNI-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO CN1CCC[C@@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000669403085 487705996 /nfs/dbraw/zinc/70/59/96/487705996.db2.gz IOYWLTYRCUBERF-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000669403381 487706786 /nfs/dbraw/zinc/70/67/86/487706786.db2.gz YACIAUWNPCLLHS-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403383 487707317 /nfs/dbraw/zinc/70/73/17/487707317.db2.gz YACIAUWNPCLLHS-LPEHRKFASA-N 1 3 228.340 0.116 20 0 BCADHO COC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164445 487707601 /nfs/dbraw/zinc/70/76/01/487707601.db2.gz UGFGMDUNAQNLSK-WVMKXHBISA-N 1 3 242.363 0.599 20 0 BCADHO COC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088164445 487707604 /nfs/dbraw/zinc/70/76/04/487707604.db2.gz UGFGMDUNAQNLSK-WVMKXHBISA-N 1 3 242.363 0.599 20 0 BCADHO C[NH+](C)CCCN[C@H]1CCCNC(=O)C1 ZINC000082667161 487713123 /nfs/dbraw/zinc/71/31/23/487713123.db2.gz PRTFFSRCZXGGQW-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CCC(C)(C)[NH3+] ZINC000226394355 487730134 /nfs/dbraw/zinc/73/01/34/487730134.db2.gz BYMHIKAJOPOULP-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000250356597 487730275 /nfs/dbraw/zinc/73/02/75/487730275.db2.gz OYMCVKWTWLDIBY-VXGBXAGGSA-N 1 3 227.352 0.001 20 0 BCADHO C[C@@H](CNC(=O)CC(C)(C)[NH3+])N(C)C ZINC000082772119 487730474 /nfs/dbraw/zinc/73/04/74/487730474.db2.gz OKQIGQFQLAVGEG-QMMMGPOBSA-N 1 3 201.314 0.180 20 0 BCADHO CN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCCOC1 ZINC000250356397 487730496 /nfs/dbraw/zinc/73/04/96/487730496.db2.gz BXPNVNOKMNZLPR-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000226394862 487731431 /nfs/dbraw/zinc/73/14/31/487731431.db2.gz OMAQPIRELJUROM-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042361724 487734324 /nfs/dbraw/zinc/73/43/24/487734324.db2.gz LXVIXVSCNVVEFL-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000082920585 487753237 /nfs/dbraw/zinc/75/32/37/487753237.db2.gz FIMLVNNZIBCPOW-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CN(CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+])C1CC1 ZINC000082921786 487754146 /nfs/dbraw/zinc/75/41/46/487754146.db2.gz ZSUZKXAKIGFJQK-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CN(CCNC(=O)CCC(C)(C)[NH3+])C1CC1 ZINC000069634226 487757267 /nfs/dbraw/zinc/75/72/67/487757267.db2.gz SJHVJFSULFNRNH-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000309834928 487761024 /nfs/dbraw/zinc/76/10/24/487761024.db2.gz ZXJLYMBMBJMMDR-NXEZZACHSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000309834929 487761294 /nfs/dbraw/zinc/76/12/94/487761294.db2.gz ZXJLYMBMBJMMDR-ZJUUUORDSA-N 1 3 213.325 0.213 20 0 BCADHO CCC1(CO)CCN(CCC[NH3+])CC1 ZINC000414692623 487817920 /nfs/dbraw/zinc/81/79/20/487817920.db2.gz CVRWRTRVSGQCEX-UHFFFAOYSA-N 1 3 200.326 0.820 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156150852 487819430 /nfs/dbraw/zinc/81/94/30/487819430.db2.gz CJBNMXFCDQRIMV-WOPDTQHZSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H](CO)[N@H+](CCCN)CC1CCC1 ZINC000415111871 487838551 /nfs/dbraw/zinc/83/85/51/487838551.db2.gz UVECORGTVNIYDF-JTQLQIEISA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H](CO)[N@@H+](CCCN)CC1CCC1 ZINC000415111871 487838557 /nfs/dbraw/zinc/83/85/57/487838557.db2.gz UVECORGTVNIYDF-JTQLQIEISA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H]1C[N@H+](CCCN2CCOCC2)[C@@H](C)CN1 ZINC000062620412 487846523 /nfs/dbraw/zinc/84/65/23/487846523.db2.gz OKKINFVUDNEBPR-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@@H](C)CN1 ZINC000062620412 487846529 /nfs/dbraw/zinc/84/65/29/487846529.db2.gz OKKINFVUDNEBPR-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO [NH3+]CCCN(CCO)CCc1ccccc1 ZINC000666640958 487849758 /nfs/dbraw/zinc/84/97/58/487849758.db2.gz JNKOQAKZAWIICH-UHFFFAOYSA-N 1 3 222.332 0.872 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089747948 487851670 /nfs/dbraw/zinc/85/16/70/487851670.db2.gz OIZXCGDLWPIHQK-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373044958 487856600 /nfs/dbraw/zinc/85/66/00/487856600.db2.gz WKMULWYUMIRXKP-GVXVVHGQSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704845 487862714 /nfs/dbraw/zinc/86/27/14/487862714.db2.gz STFLCDFDCPZDFY-AAEUAGOBSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000666704845 487862723 /nfs/dbraw/zinc/86/27/23/487862723.db2.gz STFLCDFDCPZDFY-AAEUAGOBSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CCNC(=O)NC/C=C\C[NH3+])C1CC1 ZINC000669444675 487889390 /nfs/dbraw/zinc/88/93/90/487889390.db2.gz DUDPUUOOPSLIEU-ARJAWSKDSA-N 1 3 240.351 0.285 20 0 BCADHO CC(C)C[C@@H]([NH3+])CNC[C@@H]1C[C@H](F)CN1 ZINC000666948183 487912555 /nfs/dbraw/zinc/91/25/55/487912555.db2.gz UEBIQPFTMMYJKX-AXFHLTTASA-N 1 3 217.332 0.649 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364274 487934251 /nfs/dbraw/zinc/93/42/51/487934251.db2.gz CHWFBXTZCHZGCP-VHSXEESVSA-N 1 3 234.290 0.688 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652364274 487934256 /nfs/dbraw/zinc/93/42/56/487934256.db2.gz CHWFBXTZCHZGCP-VHSXEESVSA-N 1 3 234.290 0.688 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659556365 487939376 /nfs/dbraw/zinc/93/93/76/487939376.db2.gz RWHALNAKXNFBFC-SGIHWFKDSA-N 1 3 246.330 0.193 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)[N@H+](C)C1CC1 ZINC000188755748 487949129 /nfs/dbraw/zinc/94/91/29/487949129.db2.gz HAJMOXKXSIOVEZ-WCABBAIRSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)[N@@H+](C)C1CC1 ZINC000188755748 487949133 /nfs/dbraw/zinc/94/91/33/487949133.db2.gz HAJMOXKXSIOVEZ-WCABBAIRSA-N 1 3 243.326 0.285 20 0 BCADHO CC(C)C[C@H](C[NH3+])CC(=O)NCCN(C)C ZINC000083862841 487953384 /nfs/dbraw/zinc/95/33/84/487953384.db2.gz JVDUNNUHQMUBPU-NSHDSACASA-N 1 3 229.368 0.675 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)CNC1CC1 ZINC000041680167 322836234 /nfs/dbraw/zinc/83/62/34/322836234.db2.gz KDBCKZJKMVNOIE-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCNc1ccncc1 ZINC000569571111 322970777 /nfs/dbraw/zinc/97/07/77/322970777.db2.gz AZENGIRVTHMXTA-SNVBAGLBSA-N 1 3 236.319 0.159 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)CC[NH2+]1 ZINC000566253063 322979946 /nfs/dbraw/zinc/97/99/46/322979946.db2.gz YGLIDZXBQLIJKX-DCAQKATOSA-N 1 3 225.336 0.385 20 0 BCADHO CN(C)Cc1ccc(CNC(=O)CC[NH3+])cc1 ZINC000561945299 323009006 /nfs/dbraw/zinc/00/90/06/323009006.db2.gz JJXHBEUHKITZEU-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO COCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397252279 323038534 /nfs/dbraw/zinc/03/85/34/323038534.db2.gz DAGZRZMUYRSAAU-DCAQKATOSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397252279 323038535 /nfs/dbraw/zinc/03/85/35/323038535.db2.gz DAGZRZMUYRSAAU-DCAQKATOSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000397252279 323038536 /nfs/dbraw/zinc/03/85/36/323038536.db2.gz DAGZRZMUYRSAAU-DCAQKATOSA-N 1 3 200.326 0.938 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569727844 323039078 /nfs/dbraw/zinc/03/90/78/323039078.db2.gz UVVJLZQVQLDAPO-VHSXEESVSA-N 1 3 215.341 0.569 20 0 BCADHO CC[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000572603518 323039694 /nfs/dbraw/zinc/03/96/94/323039694.db2.gz IFPXEUXCMDAXNC-MWLCHTKSSA-N 1 3 248.330 0.573 20 0 BCADHO CCC[C@@H](C(=O)NCCCC[NH3+])N(C)C ZINC000569843621 323042699 /nfs/dbraw/zinc/04/26/99/323042699.db2.gz HRRAIQARCLVUIJ-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CNCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000570164025 323051580 /nfs/dbraw/zinc/05/15/80/323051580.db2.gz LCDFVBGNWYXAJS-UHFFFAOYSA-N 1 3 207.277 0.564 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000570165796 323051592 /nfs/dbraw/zinc/05/15/92/323051592.db2.gz CVBOTGPIEDJAPQ-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000570165796 323051593 /nfs/dbraw/zinc/05/15/93/323051593.db2.gz CVBOTGPIEDJAPQ-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CN(C)[C@H]1CN(CC[NH+]2CCCCC2)C[C@@H]1O ZINC000570173521 323051920 /nfs/dbraw/zinc/05/19/20/323051920.db2.gz ISNPLSYBYFKJQY-STQMWFEESA-N 1 3 241.379 0.079 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)C1CCC1 ZINC000570319588 323056124 /nfs/dbraw/zinc/05/61/24/323056124.db2.gz JYYAZEFSBOEPJI-JTQLQIEISA-N 1 3 213.325 0.230 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000570570894 323063577 /nfs/dbraw/zinc/06/35/77/323063577.db2.gz JNYBEPOHZVZATO-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO CN[C@@H](C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000570696993 323067788 /nfs/dbraw/zinc/06/77/88/323067788.db2.gz YWFKUJRNCOFYQI-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN([C@@H](C)CN2CCOCC2)C1 ZINC000570720938 323068509 /nfs/dbraw/zinc/06/85/09/323068509.db2.gz PTJHVCZYQCCSQN-AVGNSLFASA-N 1 3 241.379 0.376 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000562981447 323077925 /nfs/dbraw/zinc/07/79/25/323077925.db2.gz LYIFCZNSGCMAIH-OUAUKWLOSA-N 1 3 227.352 0.380 20 0 BCADHO COC[C@@H](O)CNC[C@@H](C)C[NH+]1CCCCC1 ZINC000562984911 323078051 /nfs/dbraw/zinc/07/80/51/323078051.db2.gz MUCIAFAOESZWBV-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000562984911 323078052 /nfs/dbraw/zinc/07/80/52/323078052.db2.gz MUCIAFAOESZWBV-OLZOCXBDSA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@@H](O)CNC[C@H](C)C[NH+]1CCCCC1 ZINC000562984912 323078142 /nfs/dbraw/zinc/07/81/42/323078142.db2.gz MUCIAFAOESZWBV-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@H](C)CN1CCCCC1 ZINC000562984912 323078143 /nfs/dbraw/zinc/07/81/43/323078143.db2.gz MUCIAFAOESZWBV-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000040490704 323089866 /nfs/dbraw/zinc/08/98/66/323089866.db2.gz FVDNLMRZZJWPRH-UTLUCORTSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000567848388 323092701 /nfs/dbraw/zinc/09/27/01/323092701.db2.gz ACJFRTACTKVZNK-WCBMZHEXSA-N 1 3 213.325 0.357 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C1CCN(C)CC1 ZINC000563113944 323093209 /nfs/dbraw/zinc/09/32/09/323093209.db2.gz SMLPSENCMOTXOI-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000563119132 323093936 /nfs/dbraw/zinc/09/39/36/323093936.db2.gz LEXPSAZYQZWAIX-DGCLKSJQSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCOC[C@@H]1CCCO1 ZINC000563152447 323095839 /nfs/dbraw/zinc/09/58/39/323095839.db2.gz ZUGARRMYLRFVDK-AGIUHOORSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563160412 323097447 /nfs/dbraw/zinc/09/74/47/323097447.db2.gz PPZNYBUOGUZJCL-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000563169274 323099698 /nfs/dbraw/zinc/09/96/98/323099698.db2.gz GJRLBAGUQXINQP-VGMNWLOBSA-N 1 3 201.314 0.212 20 0 BCADHO C[C@@H](CC(=O)N(C)C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000531729199 323111725 /nfs/dbraw/zinc/11/17/25/323111725.db2.gz NDLJHFNSMMEGLF-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](CC(=O)N(C)C)NCC[N@H+]1CC[C@H](C)C1 ZINC000531729199 323111726 /nfs/dbraw/zinc/11/17/26/323111726.db2.gz NDLJHFNSMMEGLF-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CCS(=O)(=O)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563424359 323124047 /nfs/dbraw/zinc/12/40/47/323124047.db2.gz LRGMJKBGQHEWBL-WDEREUQCSA-N 1 3 248.392 0.671 20 0 BCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000563424359 323124048 /nfs/dbraw/zinc/12/40/48/323124048.db2.gz LRGMJKBGQHEWBL-WDEREUQCSA-N 1 3 248.392 0.671 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC000571081334 323135063 /nfs/dbraw/zinc/13/50/63/323135063.db2.gz MCGBZFWVVJOTRD-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000571573336 323148210 /nfs/dbraw/zinc/14/82/10/323148210.db2.gz ZDAIGEMWWAWZBW-DCAQKATOSA-N 1 3 200.326 0.687 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000571573336 323148211 /nfs/dbraw/zinc/14/82/11/323148211.db2.gz ZDAIGEMWWAWZBW-DCAQKATOSA-N 1 3 200.326 0.687 20 0 BCADHO Cn1ccc(CNCC2CC[NH+](C)CC2)n1 ZINC000112838020 323172859 /nfs/dbraw/zinc/17/28/59/323172859.db2.gz FYVOBLCHLNMWLO-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000563712764 323175077 /nfs/dbraw/zinc/17/50/77/323175077.db2.gz KEBSYUXPBKEIFC-VWYCJHECSA-N 1 3 225.336 0.243 20 0 BCADHO CCN1C[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)CC1=O ZINC000391613370 323178995 /nfs/dbraw/zinc/17/89/95/323178995.db2.gz DWCKDAXZDCRMDB-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1C[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)CC1=O ZINC000391613370 323178996 /nfs/dbraw/zinc/17/89/96/323178996.db2.gz DWCKDAXZDCRMDB-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000308841436 323179981 /nfs/dbraw/zinc/17/99/81/323179981.db2.gz KGNDKIJVEXSDGS-CIUDSAMLSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000070318088 323186489 /nfs/dbraw/zinc/18/64/89/323186489.db2.gz OLNPJNCRIZTQQD-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000530182681 323205780 /nfs/dbraw/zinc/20/57/80/323205780.db2.gz YPGHXBGKMGGKTJ-YNEHKIRRSA-N 1 3 239.363 0.191 20 0 BCADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000530182681 323205781 /nfs/dbraw/zinc/20/57/81/323205781.db2.gz YPGHXBGKMGGKTJ-YNEHKIRRSA-N 1 3 239.363 0.191 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000532217321 323209045 /nfs/dbraw/zinc/20/90/45/323209045.db2.gz NKLZAEALNIAYII-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000532217321 323209049 /nfs/dbraw/zinc/20/90/49/323209049.db2.gz NKLZAEALNIAYII-GFCCVEGCSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@H]([NH2+]C[C@H]1COCCN1)c1cnccc1N ZINC000530226278 323219540 /nfs/dbraw/zinc/21/95/40/323219540.db2.gz QXPXYBYAGDNMSH-UWVGGRQHSA-N 1 3 236.319 0.133 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000572155576 323554086 /nfs/dbraw/zinc/55/40/86/323554086.db2.gz MBKSFLCRQTUXHM-ZJUUUORDSA-N 1 3 239.363 0.713 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000572256116 323579201 /nfs/dbraw/zinc/57/92/01/323579201.db2.gz BLLAHQNOAVWIEV-BDAKNGLRSA-N 1 3 201.314 0.228 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000083889433 487959589 /nfs/dbraw/zinc/95/95/89/487959589.db2.gz AILVCSFMXVEHGX-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000083889433 487959591 /nfs/dbraw/zinc/95/95/91/487959591.db2.gz AILVCSFMXVEHGX-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)N(C)C ZINC000126541836 324702787 /nfs/dbraw/zinc/70/27/87/324702787.db2.gz LKNSNUGZSNPGRV-SNVBAGLBSA-N 1 3 229.368 0.831 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000083913542 487964783 /nfs/dbraw/zinc/96/47/83/487964783.db2.gz YIDIZSUUUFLUHJ-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000132937168 325255333 /nfs/dbraw/zinc/25/53/33/325255333.db2.gz DIDCVDIMUICVEU-NWDGAFQWSA-N 1 3 241.379 0.973 20 0 BCADHO [NH3+]CCC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000572537614 325695500 /nfs/dbraw/zinc/69/55/00/325695500.db2.gz ARKSPEGWMGOUAF-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)CCCC[NH+](C)C ZINC000554137123 325708253 /nfs/dbraw/zinc/70/82/53/325708253.db2.gz YHENBSKKLBIICM-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CCN3)cc2C1 ZINC000565652053 325938262 /nfs/dbraw/zinc/93/82/62/325938262.db2.gz FGJLWKPQBJOZFJ-BXKDBHETSA-N 1 3 246.314 0.198 20 0 BCADHO C[NH2+]CC1CCN(C(=O)CNC2CC2)CC1 ZINC000565714789 325947394 /nfs/dbraw/zinc/94/73/94/325947394.db2.gz OHFIKIPELYWXRH-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO N[C@H](C(=O)NCCNc1cc[nH+]cc1)C1CCC1 ZINC000566171208 326006330 /nfs/dbraw/zinc/00/63/30/326006330.db2.gz RPUJPWVGFFAFGG-LBPRGKRZSA-N 1 3 248.330 0.159 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CCCC[NH3+] ZINC000566190353 326009599 /nfs/dbraw/zinc/00/95/99/326009599.db2.gz TYRLZXOOZXCAMB-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO NC[C@@H](C(=O)NCCC[NH3+])c1ccc(F)cc1 ZINC000566203539 326012510 /nfs/dbraw/zinc/01/25/10/326012510.db2.gz LBDYCJCJNPNCNI-LLVKDONJSA-N 1 3 239.294 0.333 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000566407167 326040651 /nfs/dbraw/zinc/04/06/51/326040651.db2.gz TYCOFNCKZBHBFV-QWKFWESOSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@@H](C)N1 ZINC000566551354 326063248 /nfs/dbraw/zinc/06/32/48/326063248.db2.gz SDTXZBDBVUIIOO-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000566678752 326072903 /nfs/dbraw/zinc/07/29/03/326072903.db2.gz JLLMYQMDIYQLSH-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000566678752 326072904 /nfs/dbraw/zinc/07/29/04/326072904.db2.gz JLLMYQMDIYQLSH-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566739973 326078991 /nfs/dbraw/zinc/07/89/91/326078991.db2.gz LASWGRCEEFISKT-GUDRVLHUSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@H](O)[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000566910881 326092888 /nfs/dbraw/zinc/09/28/88/326092888.db2.gz KTQQUADXXVAKBF-RYUDHWBXSA-N 1 3 243.395 0.371 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)C)CN1C1CC1 ZINC000154353757 326140742 /nfs/dbraw/zinc/14/07/42/326140742.db2.gz PGVYGTSNTFPTHN-MDZLAQPJSA-N 1 3 241.379 0.124 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000154395249 326142345 /nfs/dbraw/zinc/14/23/45/326142345.db2.gz MHTHWBFCLHVDAV-GHMZBOCLSA-N 1 3 227.352 0.620 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000154395349 326142448 /nfs/dbraw/zinc/14/24/48/326142448.db2.gz MHTHWBFCLHVDAV-QWRGUYRKSA-N 1 3 227.352 0.620 20 0 BCADHO CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154396871 326142664 /nfs/dbraw/zinc/14/26/64/326142664.db2.gz WZCKWVKGGRPNCP-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000309784626 326168115 /nfs/dbraw/zinc/16/81/15/326168115.db2.gz NSFLIWUGFWMTEB-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CSC[C@@H](O)CN[C@H](C)CC[NH+](C)C ZINC000567378087 326179032 /nfs/dbraw/zinc/17/90/32/326179032.db2.gz OPDXFIPZHYGSTJ-ZJUUUORDSA-N 1 3 220.382 0.640 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000567383453 326180112 /nfs/dbraw/zinc/18/01/12/326180112.db2.gz AGXPSBIKCDBZMN-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000567469985 326199311 /nfs/dbraw/zinc/19/93/11/326199311.db2.gz FLQDJYCHFJCABG-DCAQKATOSA-N 1 3 227.352 0.603 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567673232 326242892 /nfs/dbraw/zinc/24/28/92/326242892.db2.gz HVZWPIKUBGHEHQ-RKDXNWHRSA-N 1 3 211.309 0.111 20 0 BCADHO CN(C)CCN(C(=O)C[C@H]1CCC[NH2+]1)C1CC1 ZINC000567731876 326252733 /nfs/dbraw/zinc/25/27/33/326252733.db2.gz BFDOXZHGNUGCIX-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000567814854 326261951 /nfs/dbraw/zinc/26/19/51/326261951.db2.gz GLEJUOQFWKUOGI-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000567820102 326263156 /nfs/dbraw/zinc/26/31/56/326263156.db2.gz FWCFRZOSSFQZJS-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000567831044 326265724 /nfs/dbraw/zinc/26/57/24/326265724.db2.gz ISQQRBQZWDHNBR-DLOVCJGASA-N 1 3 239.363 0.700 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1ccc(CN(C)C)cc1 ZINC000567839422 326267952 /nfs/dbraw/zinc/26/79/52/326267952.db2.gz WUDMNIVVMQXKLM-SNVBAGLBSA-N 1 3 235.331 0.825 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000157349760 326269646 /nfs/dbraw/zinc/26/96/46/326269646.db2.gz MGWREXRNPUVUCP-SECBINFHSA-N 1 3 247.408 0.571 20 0 BCADHO CC[C@H](C(=O)NC1CC[NH+](CC)CC1)N(C)C ZINC000157804659 326296597 /nfs/dbraw/zinc/29/65/97/326296597.db2.gz DEQYGJWBTGZVNG-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@@H](C)CN(C)C[C@@](C)(O)C[NH2+]C ZINC000568050901 326300073 /nfs/dbraw/zinc/30/00/73/326300073.db2.gz MQIQICZAOQIRCG-MNOVXSKESA-N 1 3 202.342 0.935 20 0 BCADHO CN[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000568230922 326330189 /nfs/dbraw/zinc/33/01/89/326330189.db2.gz IEXJYYQEUDTFTR-QMMMGPOBSA-N 1 3 207.277 0.692 20 0 BCADHO CN[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234098 326330982 /nfs/dbraw/zinc/33/09/82/326330982.db2.gz DZWRBJNDEHLLSA-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234098 326330983 /nfs/dbraw/zinc/33/09/83/326330983.db2.gz DZWRBJNDEHLLSA-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000568234100 326330989 /nfs/dbraw/zinc/33/09/89/326330989.db2.gz DZWRBJNDEHLLSA-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000568234100 326330992 /nfs/dbraw/zinc/33/09/92/326330992.db2.gz DZWRBJNDEHLLSA-QWRGUYRKSA-N 1 3 239.363 0.727 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000568508467 326360906 /nfs/dbraw/zinc/36/09/06/326360906.db2.gz FUZZTWIAOODJBG-LBPRGKRZSA-N 1 3 231.299 0.463 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000568626408 326368518 /nfs/dbraw/zinc/36/85/18/326368518.db2.gz DWIJEAHHIXUNPJ-ZWNOBZJWSA-N 1 3 247.342 0.584 20 0 BCADHO CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568664028 326371737 /nfs/dbraw/zinc/37/17/37/326371737.db2.gz IBSKZGFHKGMNHI-NSHDSACASA-N 1 3 240.351 0.132 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000568760770 326375564 /nfs/dbraw/zinc/37/55/64/326375564.db2.gz BCUHXDJNNLQXNG-MMWGEVLESA-N 1 3 227.352 0.474 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215335 326394933 /nfs/dbraw/zinc/39/49/33/326394933.db2.gz YNBWVSPRYXBFAZ-MXWKQRLJSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215333 326395463 /nfs/dbraw/zinc/39/54/63/326395463.db2.gz YNBWVSPRYXBFAZ-GMTAPVOTSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000569230401 326395483 /nfs/dbraw/zinc/39/54/83/326395483.db2.gz WNBNJEXCSGXQDN-BJDJZHNGSA-N 1 3 241.379 0.768 20 0 BCADHO C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000147209586 487977856 /nfs/dbraw/zinc/97/78/56/487977856.db2.gz DPQLNXZJVZMSLR-UHFFFAOYSA-N 1 3 234.347 0.813 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446402789 487980129 /nfs/dbraw/zinc/98/01/29/487980129.db2.gz NGVPZNSMJYFIFJ-KXUCPTDWSA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000310499355 488033792 /nfs/dbraw/zinc/03/37/92/488033792.db2.gz HMXQXMLUZWTKMO-YNEHKIRRSA-N 1 3 244.379 0.845 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CC[NH2+]C2CC2)C1 ZINC000655449078 488037779 /nfs/dbraw/zinc/03/77/79/488037779.db2.gz JAKNUPWMKQUOGS-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000084419905 488051766 /nfs/dbraw/zinc/05/17/66/488051766.db2.gz OYMCVKWTWLDIBY-NEPJUHHUSA-N 1 3 227.352 0.001 20 0 BCADHO [NH3+]CCCNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669490835 488053029 /nfs/dbraw/zinc/05/30/29/488053029.db2.gz AZUXYDYGWZMBBE-NSHDSACASA-N 1 3 240.351 0.119 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C1 ZINC000389167117 488079460 /nfs/dbraw/zinc/07/94/60/488079460.db2.gz MVAYYJVBIVHZSE-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000389204107 488082296 /nfs/dbraw/zinc/08/22/96/488082296.db2.gz ZHXKBYUSMYTTFX-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000389204107 488082297 /nfs/dbraw/zinc/08/22/97/488082297.db2.gz ZHXKBYUSMYTTFX-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+](C)CCCN[C@@H]1CCCNC(=O)C1 ZINC000226378599 488084898 /nfs/dbraw/zinc/08/48/98/488084898.db2.gz JWLCDKKTDYOORW-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[N@@H+](C)CCCN[C@@H]1CCCNC(=O)C1 ZINC000226378599 488084906 /nfs/dbraw/zinc/08/49/06/488084906.db2.gz JWLCDKKTDYOORW-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000226378599 488084911 /nfs/dbraw/zinc/08/49/11/488084911.db2.gz JWLCDKKTDYOORW-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000389434567 488096151 /nfs/dbraw/zinc/09/61/51/488096151.db2.gz ZMGAWGQPKAKBNF-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000389437367 488096416 /nfs/dbraw/zinc/09/64/16/488096416.db2.gz MXLRDVYYPUVTHL-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000389442420 488096766 /nfs/dbraw/zinc/09/67/66/488096766.db2.gz OFEFDNIUMULFMV-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000389442420 488096768 /nfs/dbraw/zinc/09/67/68/488096768.db2.gz OFEFDNIUMULFMV-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C1 ZINC000389568956 488102235 /nfs/dbraw/zinc/10/22/35/488102235.db2.gz AGSMDHWRIWUOCL-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)[C@H](C)CC)C1 ZINC000389568956 488102238 /nfs/dbraw/zinc/10/22/38/488102238.db2.gz AGSMDHWRIWUOCL-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000378790219 488104517 /nfs/dbraw/zinc/10/45/17/488104517.db2.gz NDDCLRNVKIQEFN-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000389683578 488105701 /nfs/dbraw/zinc/10/57/01/488105701.db2.gz YIXOTYYBXCSNGF-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000389690326 488105911 /nfs/dbraw/zinc/10/59/11/488105911.db2.gz ZUSIGONXOHUYAW-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000389730810 488109545 /nfs/dbraw/zinc/10/95/45/488109545.db2.gz JQUFVOXHZGERBL-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC(C)C)C1 ZINC000389730810 488109549 /nfs/dbraw/zinc/10/95/49/488109549.db2.gz JQUFVOXHZGERBL-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510340 488112566 /nfs/dbraw/zinc/11/25/66/488112566.db2.gz LJFOOLMSWJCTDY-KOLCDFICSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000669510453 488112672 /nfs/dbraw/zinc/11/26/72/488112672.db2.gz LSBQSZRYILNZGJ-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CC[NH2+]C(C)C)C1 ZINC000389815010 488113256 /nfs/dbraw/zinc/11/32/56/488113256.db2.gz RQPSTXXNBCIKRV-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CC(C)C ZINC000669512477 488119016 /nfs/dbraw/zinc/11/90/16/488119016.db2.gz FHSQILOCPJDZMM-SNVBAGLBSA-N 1 3 229.368 0.994 20 0 BCADHO O=C1CC[C@@H]2CN(C[C@@H]3CC[NH2+]C3)CC[C@@H]2N1 ZINC000160335797 488122863 /nfs/dbraw/zinc/12/28/63/488122863.db2.gz XXXZBBWWRRQJPX-UTUOFQBUSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000669514686 488123944 /nfs/dbraw/zinc/12/39/44/488123944.db2.gz ZVIDQKRIHANLEJ-GRYCIOLGSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514479 488124292 /nfs/dbraw/zinc/12/42/92/488124292.db2.gz GSEDTRCTMMLUKR-GFCCVEGCSA-N 1 3 241.379 0.831 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669515871 488125842 /nfs/dbraw/zinc/12/58/42/488125842.db2.gz HWLGOJFLKYKOFL-IJLUTSLNSA-N 1 3 237.347 0.339 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)CC(C)C)CC[C@H]1[NH3+] ZINC000669516053 488126121 /nfs/dbraw/zinc/12/61/21/488126121.db2.gz PQWOCJKUDJZEPT-UTUOFQBUSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC2([NH3+])CCC2)[C@H]1C ZINC000669516822 488127007 /nfs/dbraw/zinc/12/70/07/488127007.db2.gz HCNVSAIQWJHPDO-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000669517949 488128665 /nfs/dbraw/zinc/12/86/65/488128665.db2.gz ZXVXHHVYIKTQAF-VXGBXAGGSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000669517731 488129290 /nfs/dbraw/zinc/12/92/90/488129290.db2.gz HJNNTAWHSUSNCI-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000669517729 488129438 /nfs/dbraw/zinc/12/94/38/488129438.db2.gz HJNNTAWHSUSNCI-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO COC[C@H](C[NH2+][C@H]1CCNCC1(C)C)OC ZINC000300857412 487541503 /nfs/dbraw/zinc/54/15/03/487541503.db2.gz OQLKUTLQPMHSOR-QWRGUYRKSA-N 1 3 230.352 0.626 20 0 BCADHO COC[C@H](CN[C@H]1CC[NH2+]CC1(C)C)OC ZINC000300857412 487541498 /nfs/dbraw/zinc/54/14/98/487541498.db2.gz OQLKUTLQPMHSOR-QWRGUYRKSA-N 1 3 230.352 0.626 20 0 BCADHO C[C@H]1CCC[N@H+](CCCN)[C@H]1CCO ZINC000662302277 487546273 /nfs/dbraw/zinc/54/62/73/487546273.db2.gz LRNALSWOWCSAHE-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H]1CCC[N@@H+](CCCN)[C@H]1CCO ZINC000662302277 487546278 /nfs/dbraw/zinc/54/62/78/487546278.db2.gz LRNALSWOWCSAHE-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H]1CCCN(CCC[NH3+])[C@H]1CCO ZINC000662302277 487546282 /nfs/dbraw/zinc/54/62/82/487546282.db2.gz LRNALSWOWCSAHE-QWRGUYRKSA-N 1 3 200.326 0.818 20 0 BCADHO c1cnc2c(n1)CCN(CC1CC[NH2+]CC1)C2 ZINC000662229025 487473423 /nfs/dbraw/zinc/47/34/23/487473423.db2.gz FHUAGEKYEQYNRH-UHFFFAOYSA-N 1 3 232.331 0.834 20 0 BCADHO C[C@H](CNC(=O)CC(C)(C)[NH3+])N1CCCC1 ZINC000161047489 487473725 /nfs/dbraw/zinc/47/37/25/487473725.db2.gz GBWIXMDBFILIKU-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000161059102 487474992 /nfs/dbraw/zinc/47/49/92/487474992.db2.gz POXLCETXECKHNO-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCC[C@H]1CN(C)C ZINC000061645170 487477053 /nfs/dbraw/zinc/47/70/53/487477053.db2.gz QLIZCAIAOHDDQW-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000653275184 487491266 /nfs/dbraw/zinc/49/12/66/487491266.db2.gz YNLJDIRTTFVDDC-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC(=O)N2)C1 ZINC000086404425 487500969 /nfs/dbraw/zinc/50/09/69/487500969.db2.gz IMMZTIHIOJACTC-BBBLOLIVSA-N 1 3 211.309 0.125 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404425 487500971 /nfs/dbraw/zinc/50/09/71/487500971.db2.gz IMMZTIHIOJACTC-BBBLOLIVSA-N 1 3 211.309 0.125 20 0 BCADHO CCN1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000094294817 487526431 /nfs/dbraw/zinc/52/64/31/487526431.db2.gz PNZXDHNTNJIGHK-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](CCCO)C1CC1 ZINC000379897651 488156110 /nfs/dbraw/zinc/15/61/10/488156110.db2.gz HQNOGNSWGKXSTG-ZDUSSCGKSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](CCCO)C1CC1 ZINC000379897651 488156114 /nfs/dbraw/zinc/15/61/14/488156114.db2.gz HQNOGNSWGKXSTG-ZDUSSCGKSA-N 1 3 244.379 0.534 20 0 BCADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256676 490041860 /nfs/dbraw/zinc/04/18/60/490041860.db2.gz XXJOUNGSPKIBLI-NSHDSACASA-N 1 3 210.321 0.992 20 0 BCADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCC1 ZINC000662256676 490041863 /nfs/dbraw/zinc/04/18/63/490041863.db2.gz XXJOUNGSPKIBLI-NSHDSACASA-N 1 3 210.321 0.992 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)COCC[NH3+] ZINC000093231662 487909072 /nfs/dbraw/zinc/90/90/72/487909072.db2.gz UEYXQRWARUHEEO-UHFFFAOYSA-N 1 3 245.367 0.008 20 0 BCADHO CN1CCC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000258579484 488123347 /nfs/dbraw/zinc/12/33/47/488123347.db2.gz PUQBFPLSUUPFIO-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCSC[C@@H](C)C1 ZINC000379446571 488137115 /nfs/dbraw/zinc/13/71/15/488137115.db2.gz XSPOOWFQSPHWEG-NWDGAFQWSA-N 1 3 246.420 0.984 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCSC[C@@H](C)C1 ZINC000379446571 488137117 /nfs/dbraw/zinc/13/71/17/488137117.db2.gz XSPOOWFQSPHWEG-NWDGAFQWSA-N 1 3 246.420 0.984 20 0 BCADHO O[C@@H](CNC[C@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689531 488138612 /nfs/dbraw/zinc/13/86/12/488138612.db2.gz DMRLJKQTDKEFHC-XQQFMLRXSA-N 1 3 242.363 0.194 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CCCOCCO)C1 ZINC000230782874 488158109 /nfs/dbraw/zinc/15/81/09/488158109.db2.gz BLQDZJXHTVUIQV-WDEREUQCSA-N 1 3 216.325 0.245 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000085373189 488164161 /nfs/dbraw/zinc/16/41/61/488164161.db2.gz SMTAXUYYPZLQFP-ADEWGFFLSA-N 1 3 237.347 0.467 20 0 BCADHO CN1CCC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000040673741 488168175 /nfs/dbraw/zinc/16/81/75/488168175.db2.gz KZCLDQFRMIIBEI-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000230948484 488173901 /nfs/dbraw/zinc/17/39/01/488173901.db2.gz NYLCQAUHIAQXSK-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCCC[C@H]1CN(C)C ZINC000404902986 488183590 /nfs/dbraw/zinc/18/35/90/488183590.db2.gz XLMFWEPVVSOEBZ-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CNC(=O)[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000299963135 488195527 /nfs/dbraw/zinc/19/55/27/488195527.db2.gz VJDFQPGMRPFVAZ-QWRGUYRKSA-N 1 3 225.336 0.054 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000054072511 488205457 /nfs/dbraw/zinc/20/54/57/488205457.db2.gz AUFBKKUAFPGMEF-VIFPVBQESA-N 1 3 213.325 0.147 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)CC2([NH3+])CC2)C1 ZINC000398074741 488206934 /nfs/dbraw/zinc/20/69/34/488206934.db2.gz BCVHHUDZEBHCAG-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO c1cc2n(n1)C[C@H](CN1C[C@@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202699 488276210 /nfs/dbraw/zinc/27/62/10/488276210.db2.gz XUKIOGYQOKAFRY-SRVKXCTJSA-N 1 3 247.346 0.076 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669586472 490111700 /nfs/dbraw/zinc/11/17/00/490111700.db2.gz OOODLEOUSXKHOU-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000054071656 490191660 /nfs/dbraw/zinc/19/16/60/490191660.db2.gz VRPPJUCJMZLTEI-VIFPVBQESA-N 1 3 213.325 0.147 20 0 BCADHO C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000227480035 491061499 /nfs/dbraw/zinc/06/14/99/491061499.db2.gz CLDIMBXVPURQPP-SRVKXCTJSA-N 1 3 210.321 0.707 20 0 BCADHO CN(C)C/C=C/C(=O)NCC(C)(C)C[NH+](C)C ZINC000491850079 491080889 /nfs/dbraw/zinc/08/08/89/491080889.db2.gz PQYVZNVOHBUDCC-BQYQJAHWSA-N 1 3 241.379 0.808 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653214957 491128346 /nfs/dbraw/zinc/12/83/46/491128346.db2.gz JHZWAXMORVGDSU-JTQLQIEISA-N 1 3 227.352 0.605 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653215797 491128440 /nfs/dbraw/zinc/12/84/40/491128440.db2.gz BHSAKVUSAAQIRF-SECBINFHSA-N 1 3 213.325 0.215 20 0 BCADHO CCN1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000335189788 491132137 /nfs/dbraw/zinc/13/21/37/491132137.db2.gz DFAJLXRONDUVJS-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000335380578 535494377 /nfs/dbraw/zinc/49/43/77/535494377.db2.gz NKWFGZQEJBCDBM-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335627374 535525720 /nfs/dbraw/zinc/52/57/20/535525720.db2.gz QJMIAWIIURFRMZ-GFCCVEGCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](CCO)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000779340928 582667944 /nfs/dbraw/zinc/66/79/44/582667944.db2.gz FHLCVGQZOUIYBO-LBPRGKRZSA-N 1 3 243.395 0.373 20 0 BCADHO CCC[C@H](N)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495928 535675378 /nfs/dbraw/zinc/67/53/78/535675378.db2.gz BYQZDXJNDKTQEY-PWSUYJOCSA-N 1 3 239.363 0.857 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000336041364 535942053 /nfs/dbraw/zinc/94/20/53/535942053.db2.gz KVUNHELKXSTBSP-RYUDHWBXSA-N 1 3 239.363 0.633 20 0 BCADHO CN1CCN(C(=O)NCC[NH3+])CCC1(C)C ZINC000891975584 582751476 /nfs/dbraw/zinc/75/14/76/582751476.db2.gz DBADWYVQCDAJCA-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424156096 518179314 /nfs/dbraw/zinc/17/93/14/518179314.db2.gz NPCGNOMNAUYSND-KXNHARMFSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)N(C)C ZINC000342711491 534900426 /nfs/dbraw/zinc/90/04/26/534900426.db2.gz LXYCRBULAPQKQN-GHMZBOCLSA-N 1 3 227.352 0.298 20 0 BCADHO CCCN1CCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262124914 534912500 /nfs/dbraw/zinc/91/25/00/534912500.db2.gz MXTMCYNOTZGRLT-NSHDSACASA-N 1 3 224.352 0.800 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000494709763 528497274 /nfs/dbraw/zinc/49/72/74/528497274.db2.gz OOJADTDXJXTTOW-IRCOFANPSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000494692933 528498870 /nfs/dbraw/zinc/49/88/70/528498870.db2.gz WGDRWWUYLKZHQC-JFGNBEQYSA-N 1 3 239.363 0.711 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494872675 528969621 /nfs/dbraw/zinc/96/96/21/528969621.db2.gz HDJMSUZWDAPDNN-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178720988 534998258 /nfs/dbraw/zinc/99/82/58/534998258.db2.gz DHKQHQDSQLTVTI-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335335590 535048827 /nfs/dbraw/zinc/04/88/27/535048827.db2.gz ZNLUDLQURXUBOH-AAEUAGOBSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)(C)[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183308412 535049618 /nfs/dbraw/zinc/04/96/18/535049618.db2.gz DUDDSEWVPALAOX-JTQLQIEISA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342714051 535050253 /nfs/dbraw/zinc/05/02/53/535050253.db2.gz OOJADTDXJXTTOW-USZNOCQGSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342714050 535050691 /nfs/dbraw/zinc/05/06/91/535050691.db2.gz OOJADTDXJXTTOW-QCNOEVLYSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)N)C1 ZINC000168722743 535133084 /nfs/dbraw/zinc/13/30/84/535133084.db2.gz CLLDMTVQIPSRJG-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C)N)C1 ZINC000168722743 535133087 /nfs/dbraw/zinc/13/30/87/535133087.db2.gz CLLDMTVQIPSRJG-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351754213 535315996 /nfs/dbraw/zinc/31/59/96/535315996.db2.gz IMEJNBYVFHPDPJ-AXFHLTTASA-N 1 3 227.352 0.556 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000262054578 535364268 /nfs/dbraw/zinc/36/42/68/535364268.db2.gz WZDQOYVFWXDRPL-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335382286 535493134 /nfs/dbraw/zinc/49/31/34/535493134.db2.gz XKEAQAUTAUIYAS-LBPRGKRZSA-N 1 3 239.363 0.811 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000335389128 535496248 /nfs/dbraw/zinc/49/62/48/535496248.db2.gz JKFPRTNMMRCHQN-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO CCN1CCCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000335305553 535516714 /nfs/dbraw/zinc/51/67/14/535516714.db2.gz QMOXPOXRGSEDRX-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CCOCCN(CC)CCOCC[NH3+] ZINC000086435782 535585259 /nfs/dbraw/zinc/58/52/59/535585259.db2.gz CYHXGANOHHIBNM-UHFFFAOYSA-N 1 3 204.314 0.320 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626853 535655249 /nfs/dbraw/zinc/65/52/49/535655249.db2.gz LBXFOKWXYSHNGL-WISYIIOYSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251382502 535679913 /nfs/dbraw/zinc/67/99/13/535679913.db2.gz WIYLSNZGYAVMHG-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251382502 535679918 /nfs/dbraw/zinc/67/99/18/535679918.db2.gz WIYLSNZGYAVMHG-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335678318 535759480 /nfs/dbraw/zinc/75/94/80/535759480.db2.gz YZGWJTUFLGNJFN-QWHCGFSZSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH+](C)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000342664165 535885390 /nfs/dbraw/zinc/88/53/90/535885390.db2.gz OXWSKMJKXFICEN-SNVBAGLBSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000261536880 535952014 /nfs/dbraw/zinc/95/20/14/535952014.db2.gz UBTRAPXZOWBJSU-YUMQZZPRSA-N 1 3 201.314 0.213 20 0 BCADHO CN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000261551562 536340661 /nfs/dbraw/zinc/34/06/61/536340661.db2.gz MFWHCUYTJQEXPA-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000261687256 536356218 /nfs/dbraw/zinc/35/62/18/536356218.db2.gz IAVGMJNRZIMGTR-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000334950427 536373383 /nfs/dbraw/zinc/37/33/83/536373383.db2.gz LHEXOOJTABRGAE-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[N@@H+]1CCC[C@@]2(CCN(CCCO)C2)C1 ZINC000335930951 536380781 /nfs/dbraw/zinc/38/07/81/536380781.db2.gz FLUHLULNQIZFEH-GFCCVEGCSA-N 1 3 212.337 0.787 20 0 BCADHO C[N@H+]1CCC[C@@]2(CCN(CCCO)C2)C1 ZINC000335930951 536380783 /nfs/dbraw/zinc/38/07/83/536380783.db2.gz FLUHLULNQIZFEH-GFCCVEGCSA-N 1 3 212.337 0.787 20 0 BCADHO CO[C@H](CN)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000227342159 536558072 /nfs/dbraw/zinc/55/80/72/536558072.db2.gz BMIURSXBTCFJLF-LLVKDONJSA-N 1 3 245.367 0.195 20 0 BCADHO COC[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000178974131 536583477 /nfs/dbraw/zinc/58/34/77/536583477.db2.gz PRZKMNJRGMJFRS-GFCCVEGCSA-N 1 3 228.336 0.333 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H](CN)c1ccccc1 ZINC000289300093 566384293 /nfs/dbraw/zinc/38/42/93/566384293.db2.gz RZEYPEPDJJOOSS-RAIGVLPGSA-N 1 3 247.342 0.677 20 0 BCADHO CN(C)CCN1CCC[C@@]12CCC[NH2+]C2 ZINC000757129206 582504413 /nfs/dbraw/zinc/50/44/13/582504413.db2.gz KXSHKPDKNRCDPS-GFCCVEGCSA-N 1 3 211.353 0.766 20 0 BCADHO CC[NH+](CC)CCNc1ccncc1CO ZINC000891392131 582676761 /nfs/dbraw/zinc/67/67/61/582676761.db2.gz ZJISGJRMKMPCKS-UHFFFAOYSA-N 1 3 223.320 0.750 20 0 BCADHO CCN(CC(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000891612142 582702379 /nfs/dbraw/zinc/70/23/79/582702379.db2.gz NBDBDBOAMNMFBC-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N(C)C ZINC000891940409 582741908 /nfs/dbraw/zinc/74/19/08/582741908.db2.gz QORJWUSOEVMLFO-GUBZILKMSA-N 1 3 228.340 0.068 20 0 BCADHO NC[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438213 582788025 /nfs/dbraw/zinc/78/80/25/582788025.db2.gz QVIATTFJAZJTRJ-RQJHMYQMSA-N 1 3 239.241 0.120 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)COC(C)=O)C1 ZINC000892614506 582930202 /nfs/dbraw/zinc/93/02/02/582930202.db2.gz QWBAFPOKXFTCOO-JQWIXIFHSA-N 1 3 228.336 0.869 20 0 BCADHO C[C@H]1C[C@@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000892673848 582948328 /nfs/dbraw/zinc/94/83/28/582948328.db2.gz OZRBUSACYUMDJV-JQWIXIFHSA-N 1 3 235.331 0.890 20 0 BCADHO C[C@H]1C[C@@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000892673848 582948329 /nfs/dbraw/zinc/94/83/29/582948329.db2.gz OZRBUSACYUMDJV-JQWIXIFHSA-N 1 3 235.331 0.890 20 0 BCADHO C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])[C@H](C)CN1 ZINC000892852070 582996640 /nfs/dbraw/zinc/99/66/40/582996640.db2.gz ZXZOPGJKGWMGOF-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000857107072 588888269 /nfs/dbraw/zinc/88/82/69/588888269.db2.gz KBGVJVUDQSPCRB-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO CN1C[C@@H]2C[N@@H+](CC3CCN(C)CC3)C[C@@H]2C1 ZINC000894082222 583294350 /nfs/dbraw/zinc/29/43/50/583294350.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 1 3 237.391 0.822 20 0 BCADHO CN1C[C@@H]2C[N@H+](CC3CCN(C)CC3)C[C@@H]2C1 ZINC000894082222 583294351 /nfs/dbraw/zinc/29/43/51/583294351.db2.gz BEYYLEGRPMRIBZ-OKILXGFUSA-N 1 3 237.391 0.822 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242593 583304801 /nfs/dbraw/zinc/30/48/01/583304801.db2.gz GLQASTHHQLWAQM-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283752 583307198 /nfs/dbraw/zinc/30/71/98/583307198.db2.gz QRYAILNRFQDJGO-OUAUKWLOSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)[C@H](C(=O)NC1CC([NH+](C)C)C1)N(C)C ZINC000857228532 588896659 /nfs/dbraw/zinc/89/66/59/588896659.db2.gz PEGIDMFFKRLBCY-HTAVTVPLSA-N 1 3 241.379 0.781 20 0 BCADHO CN1CCC(C[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000895398310 583665128 /nfs/dbraw/zinc/66/51/28/583665128.db2.gz YOGFRHOMMDSNIN-UHFFFAOYSA-N 1 3 239.363 0.492 20 0 BCADHO CN1CCC(C[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000895398310 583665129 /nfs/dbraw/zinc/66/51/29/583665129.db2.gz YOGFRHOMMDSNIN-UHFFFAOYSA-N 1 3 239.363 0.492 20 0 BCADHO CCO[C@@H](CNC[C@H](OC)C1CC1)C[NH+](C)C ZINC000896876251 583843825 /nfs/dbraw/zinc/84/38/25/583843825.db2.gz CNHJURCBZOHIMO-STQMWFEESA-N 1 3 244.379 0.968 20 0 BCADHO C1O[C@H]2[C@H]([NH2+]C3CCNCC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873215423 584127363 /nfs/dbraw/zinc/12/73/63/584127363.db2.gz AFBCPSKRPFDNBV-XZPDDHLCSA-N 1 3 222.332 0.751 20 0 BCADHO C1O[C@H]2[C@H](NC3CC[NH2+]CC3)[C@H]3C[C@@H]1[C@@H]2C3 ZINC000873215423 584127365 /nfs/dbraw/zinc/12/73/65/584127365.db2.gz AFBCPSKRPFDNBV-XZPDDHLCSA-N 1 3 222.332 0.751 20 0 BCADHO CN(CC(=O)NCCCC[NH+](C)C)C1CCC1 ZINC000900688703 584341287 /nfs/dbraw/zinc/34/12/87/584341287.db2.gz BNZHZBQWEOKRQV-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000900831622 584354817 /nfs/dbraw/zinc/35/48/17/584354817.db2.gz KCEDLNMJVPFPHL-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000900831622 584354820 /nfs/dbraw/zinc/35/48/20/584354820.db2.gz KCEDLNMJVPFPHL-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO CN1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901331233 584424957 /nfs/dbraw/zinc/42/49/57/584424957.db2.gz RLMFULWBUZKLKK-UHFFFAOYSA-N 1 3 249.358 0.460 20 0 BCADHO CN(C)CCN(CC[NH+](C)C)C(=O)OCCF ZINC000858941652 588986628 /nfs/dbraw/zinc/98/66/28/588986628.db2.gz GVYAFKAKYFFCCB-UHFFFAOYSA-N 1 3 249.330 0.518 20 0 BCADHO CN(C)C[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902365346 584573154 /nfs/dbraw/zinc/57/31/54/584573154.db2.gz ZGRIWBZLOIEINE-VXGBXAGGSA-N 1 3 243.395 0.277 20 0 BCADHO NC1(C[NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000902408525 584575375 /nfs/dbraw/zinc/57/53/75/584575375.db2.gz YTFUXBHPIXBGDR-UHFFFAOYSA-N 1 3 209.337 0.694 20 0 BCADHO COCC[C@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383269 584577226 /nfs/dbraw/zinc/57/72/26/584577226.db2.gz KKLZPFGMDVSKPY-VXGBXAGGSA-N 1 3 244.379 0.752 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@H]2COCCN2)C1 ZINC000902397024 584585616 /nfs/dbraw/zinc/58/56/16/584585616.db2.gz LUVTUYHBMIRFBM-RYUDHWBXSA-N 1 3 241.379 0.343 20 0 BCADHO NOCCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902415417 584589588 /nfs/dbraw/zinc/58/95/88/584589588.db2.gz NOTVPLWVLDQECF-UTUOFQBUSA-N 1 3 227.352 0.777 20 0 BCADHO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC000902441581 584597660 /nfs/dbraw/zinc/59/76/60/584597660.db2.gz FEPYIVSFPCNKOL-GMTAPVOTSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@H]1CCOC1 ZINC000902451807 584607142 /nfs/dbraw/zinc/60/71/42/584607142.db2.gz YCJBGNRQUXEOAU-GARJFASQSA-N 1 3 212.337 0.999 20 0 BCADHO CC1(C)CCN(CCN[C@@H]2C[NH2+]CCOC2)C1 ZINC000902456609 584609928 /nfs/dbraw/zinc/60/99/28/584609928.db2.gz OZWVMWKQRJQEHC-GFCCVEGCSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cnccc1N ZINC000902490182 584617404 /nfs/dbraw/zinc/61/74/04/584617404.db2.gz UICNANQNKNOUJO-GUBZILKMSA-N 1 3 220.320 0.882 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000902512589 584623325 /nfs/dbraw/zinc/62/33/25/584623325.db2.gz ASWIYQCGVUDCSR-DCAQKATOSA-N 1 3 216.325 0.114 20 0 BCADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccnn1C ZINC000902484636 584625002 /nfs/dbraw/zinc/62/50/02/584625002.db2.gz GNVPSMCBSQVPDR-OPRDCNLKSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@H](CN[C@@H]1CCO[C@@]12CCOC2)C[NH+](C)C ZINC000903174918 584732496 /nfs/dbraw/zinc/73/24/96/584732496.db2.gz PCQOAVXWYSIPCX-JHJVBQTASA-N 1 3 242.363 0.722 20 0 BCADHO CN(C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCCCNC1=O ZINC000903433234 584762205 /nfs/dbraw/zinc/76/22/05/584762205.db2.gz WKWDBTOKCDTEOX-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CON1CC[C@@H](N2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000903423639 584764192 /nfs/dbraw/zinc/76/41/92/584764192.db2.gz ZBQLQCOBQAGXGJ-MWLCHTKSSA-N 1 3 241.335 0.208 20 0 BCADHO CN1CCN(C[C@H]2CCC[NH2+]2)C(C)(C)C1 ZINC000903464158 584767255 /nfs/dbraw/zinc/76/72/55/584767255.db2.gz BRPVEDSXYPJVHO-LLVKDONJSA-N 1 3 211.353 0.764 20 0 BCADHO CC(C)(CO)N1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903443995 584768542 /nfs/dbraw/zinc/76/85/42/584768542.db2.gz MGFABYPSKILUED-GFCCVEGCSA-N 1 3 241.379 0.127 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]2)[C@@H](C)CN1C ZINC000903455329 584773969 /nfs/dbraw/zinc/77/39/69/584773969.db2.gz UNPIDHGYNNUFFS-GRYCIOLGSA-N 1 3 211.353 0.763 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC[NH2+]2)[C@H](C)CN1C ZINC000903455330 584774303 /nfs/dbraw/zinc/77/43/03/584774303.db2.gz UNPIDHGYNNUFFS-IJLUTSLNSA-N 1 3 211.353 0.763 20 0 BCADHO COC[C@]1(C)CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903473942 584776324 /nfs/dbraw/zinc/77/63/24/584776324.db2.gz CLLLIVIPMSMUML-AGIUHOORSA-N 1 3 242.363 0.851 20 0 BCADHO C(N[C@H]1CC[NH2+]C12CCCC2)[C@@H]1CNCCO1 ZINC000903482250 584778484 /nfs/dbraw/zinc/77/84/84/584778484.db2.gz ZUNOBNDZCPJHCA-RYUDHWBXSA-N 1 3 239.363 0.239 20 0 BCADHO CON1CC[C@@H](N(C)CCCCCC[NH3+])C1=O ZINC000903482691 584778532 /nfs/dbraw/zinc/77/85/32/584778532.db2.gz PEXASRWXNKYBHG-LLVKDONJSA-N 1 3 243.351 0.600 20 0 BCADHO C(N[C@H]1CC[NH2+]C12CCCC2)[C@H]1CNCCO1 ZINC000903482248 584778893 /nfs/dbraw/zinc/77/88/93/584778893.db2.gz ZUNOBNDZCPJHCA-NEPJUHHUSA-N 1 3 239.363 0.239 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903717272 584792257 /nfs/dbraw/zinc/79/22/57/584792257.db2.gz MCBKLJQNNCPGRI-XQHKEYJVSA-N 1 3 242.363 0.753 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903753698 584796216 /nfs/dbraw/zinc/79/62/16/584796216.db2.gz XDQLTOZXRHHQEZ-BJDJZHNGSA-N 1 3 242.363 0.753 20 0 BCADHO CC[C@H](O)CN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805087 584802566 /nfs/dbraw/zinc/80/25/66/584802566.db2.gz LPZZGDBSZHLXNN-WOPDTQHZSA-N 1 3 212.337 0.961 20 0 BCADHO C[C@H](O)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819914 584803230 /nfs/dbraw/zinc/80/32/30/584803230.db2.gz QCESVXVHSVMBSX-NSHDSACASA-N 1 3 228.336 0.212 20 0 BCADHO CCN(CCC[NH2+]C1CC1)CCC(=O)NC ZINC000903825912 584804502 /nfs/dbraw/zinc/80/45/02/584804502.db2.gz DZYBNQLQWMROTI-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC[N@H+](CCCNC1CC1)CCC(=O)NC ZINC000903825912 584804503 /nfs/dbraw/zinc/80/45/03/584804503.db2.gz DZYBNQLQWMROTI-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CC[N@@H+](CCCNC1CC1)CCC(=O)NC ZINC000903825912 584804504 /nfs/dbraw/zinc/80/45/04/584804504.db2.gz DZYBNQLQWMROTI-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO O[C@@H]1CCN(CC[C@@H]2CC[NH2+]C2)C[C@@H]1F ZINC000903839224 584807017 /nfs/dbraw/zinc/80/70/17/584807017.db2.gz JCXZKJIBYOWDCH-GARJFASQSA-N 1 3 216.300 0.391 20 0 BCADHO CC(C)(CCO)NC[C@H]([NH3+])CC(F)F ZINC000903899178 584820532 /nfs/dbraw/zinc/82/05/32/584820532.db2.gz QIGGAYWDDILTGY-SSDOTTSWSA-N 1 3 210.268 0.720 20 0 BCADHO C[C@H](O)C(C)(C)NC[C@H]([NH3+])CC(F)F ZINC000903902524 584820981 /nfs/dbraw/zinc/82/09/81/584820981.db2.gz IPNRQNPAFGEOAW-NKWVEPMBSA-N 1 3 210.268 0.718 20 0 BCADHO [NH3+][C@@H](CN[C@@H]1CNCCC1(F)F)CC(F)F ZINC000903918633 584822654 /nfs/dbraw/zinc/82/26/54/584822654.db2.gz DAPKAFVMVNNXIR-RNFRBKRXSA-N 1 3 243.248 0.556 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@@H]([NH3+])CC(F)F ZINC000903923578 584823814 /nfs/dbraw/zinc/82/38/14/584823814.db2.gz XQLKIFGBAUEYQR-IUCAKERBSA-N 1 3 232.278 0.844 20 0 BCADHO Nc1ccnc(CNC[C@H]([NH3+])CC(F)F)c1 ZINC000903953313 584831496 /nfs/dbraw/zinc/83/14/96/584831496.db2.gz CRRPAJBXSWLVGA-MRVPVSSYSA-N 1 3 230.262 0.736 20 0 BCADHO C[C@@H]1C[NH2+]C[C@@H](NCc2cc(N)ccn2)C1 ZINC000903953321 584831643 /nfs/dbraw/zinc/83/16/43/584831643.db2.gz CXOMEEKTLAHJJX-ONGXEEELSA-N 1 3 220.320 0.751 20 0 BCADHO CN1CCC([NH2+]C[C@@H]2CNCCC2(F)F)CC1 ZINC000903956699 584832152 /nfs/dbraw/zinc/83/21/52/584832152.db2.gz NBWOCHVITATVEL-JTQLQIEISA-N 1 3 247.333 0.915 20 0 BCADHO Nc1ccnc(CNC2CC[NH2+]CC2)c1 ZINC000903954979 584832278 /nfs/dbraw/zinc/83/22/78/584832278.db2.gz XFZBQKIWDMTPNF-UHFFFAOYSA-N 1 3 206.293 0.505 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CNCC1=CCCOC1 ZINC000903967032 584834528 /nfs/dbraw/zinc/83/45/28/584834528.db2.gz DVAIEUHUJDEASY-PWSUYJOCSA-N 1 3 210.321 0.778 20 0 BCADHO CC[N@H+](CCC(N)=O)C[C@H](N)CC(C)C ZINC000903987367 584836114 /nfs/dbraw/zinc/83/61/14/584836114.db2.gz DKFWNXCGZVIZJZ-SNVBAGLBSA-N 1 3 215.341 0.557 20 0 BCADHO CC[N@@H+](CCC(N)=O)C[C@H](N)CC(C)C ZINC000903987367 584836116 /nfs/dbraw/zinc/83/61/16/584836116.db2.gz DKFWNXCGZVIZJZ-SNVBAGLBSA-N 1 3 215.341 0.557 20 0 BCADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(N)nn2)CC1 ZINC000904299440 584860502 /nfs/dbraw/zinc/86/05/02/584860502.db2.gz DOBZHUOSJFNEMN-SECBINFHSA-N 1 3 235.335 0.618 20 0 BCADHO C[C@@]1(CN2CCC(C(N)=O)CC2)CCC[NH2+]C1 ZINC000904302274 584862056 /nfs/dbraw/zinc/86/20/56/584862056.db2.gz UGYMMGKUXCRVEC-CYBMUJFWSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C[NH+]2CCC(C(N)=O)CC2)CCCNC1 ZINC000904302274 584862057 /nfs/dbraw/zinc/86/20/57/584862057.db2.gz UGYMMGKUXCRVEC-CYBMUJFWSA-N 1 3 239.363 0.573 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCC3(C2)OCCO3)C1 ZINC000904315363 584863239 /nfs/dbraw/zinc/86/32/39/584863239.db2.gz APRCDWNCHAYARG-AOOOYVTPSA-N 1 3 212.293 0.173 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@H]3COCC[C@@H]32)C1 ZINC000904326915 584865212 /nfs/dbraw/zinc/86/52/12/584865212.db2.gz SYYXTYUCMHYNBU-USZNOCQGSA-N 1 3 242.388 0.930 20 0 BCADHO CCC[C@H]1C(=O)NCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904326983 584865262 /nfs/dbraw/zinc/86/52/62/584865262.db2.gz VPVBZEKSUYMULW-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO COC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904342289 584867059 /nfs/dbraw/zinc/86/70/59/584867059.db2.gz CEMPNPIHEGGIOL-NNYUYHANSA-N 1 3 228.336 0.459 20 0 BCADHO COC[C@@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000904342292 584867249 /nfs/dbraw/zinc/86/72/49/584867249.db2.gz CEMPNPIHEGGIOL-YFKTTZPYSA-N 1 3 228.336 0.459 20 0 BCADHO COC(=O)[C@@H]1C[C@H](C)CCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904345303 584868263 /nfs/dbraw/zinc/86/82/63/584868263.db2.gz CSOHYRMJIRISLQ-WYUUTHIRSA-N 1 3 240.347 0.997 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN[C@H]2CNCCC2(F)F)C1 ZINC000904355642 584871132 /nfs/dbraw/zinc/87/11/32/584871132.db2.gz VLHFQLODXCSOCM-YIZRAAEISA-N 1 3 219.279 0.311 20 0 BCADHO CN(C)C(=O)CCNC[C@]1(C)CCC[NH2+]C1 ZINC000904359890 584871648 /nfs/dbraw/zinc/87/16/48/584871648.db2.gz GMSCBUXRRDDAHI-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO CN(C)C(=O)CC[NH2+]C[C@]1(C)CCCNC1 ZINC000904359890 584871649 /nfs/dbraw/zinc/87/16/49/584871649.db2.gz GMSCBUXRRDDAHI-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO C[C@H](O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904368654 584872924 /nfs/dbraw/zinc/87/29/24/584872924.db2.gz LRSVQTZYQMNVRL-XQHKEYJVSA-N 1 3 241.379 0.111 20 0 BCADHO CC(C)(C)CC[C@H]([NH3+])CNC[C@H]1CNCCO1 ZINC000904372169 584873060 /nfs/dbraw/zinc/87/30/60/584873060.db2.gz ZAPIMMBLQLKXGI-NWDGAFQWSA-N 1 3 243.395 0.718 20 0 BCADHO CCS(=O)(=O)C[C@@H](C)NC1CC(C[NH3+])C1 ZINC000904366370 584874784 /nfs/dbraw/zinc/87/47/84/584874784.db2.gz ISHMPIHHAABPJP-XNWIYYODSA-N 1 3 234.365 0.137 20 0 BCADHO CCN(CCC(N)=O)C[C@@]1(C)CCC[NH2+]C1 ZINC000904388352 584874935 /nfs/dbraw/zinc/87/49/35/584874935.db2.gz HTNLNIYIWZQVPI-LBPRGKRZSA-N 1 3 227.352 0.573 20 0 BCADHO CC[N@H+](CCC(N)=O)C[C@@]1(C)CCCNC1 ZINC000904388352 584874937 /nfs/dbraw/zinc/87/49/37/584874937.db2.gz HTNLNIYIWZQVPI-LBPRGKRZSA-N 1 3 227.352 0.573 20 0 BCADHO CC[N@@H+](CCC(N)=O)C[C@@]1(C)CCCNC1 ZINC000904388352 584874939 /nfs/dbraw/zinc/87/49/39/584874939.db2.gz HTNLNIYIWZQVPI-LBPRGKRZSA-N 1 3 227.352 0.573 20 0 BCADHO CC1(CN2CCNCC[NH2+]CC2)CCC1 ZINC000904396558 584875716 /nfs/dbraw/zinc/87/57/16/584875716.db2.gz KYUJKIYTEODIOF-UHFFFAOYSA-N 1 3 211.353 0.671 20 0 BCADHO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCCNCC1 ZINC000876506678 584885602 /nfs/dbraw/zinc/88/56/02/584885602.db2.gz XMXDPGJHBPPYQV-RXNFCKPNSA-N 1 3 237.347 0.364 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CC[C@@H]1[NH3+] ZINC000834648276 584914412 /nfs/dbraw/zinc/91/44/12/584914412.db2.gz ULAXIFZCGYKCTG-SCVCMEIPSA-N 1 3 243.326 0.274 20 0 BCADHO COC[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000361891276 584948576 /nfs/dbraw/zinc/94/85/76/584948576.db2.gz HBXNBRCUPSFNDS-LBPRGKRZSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359285 584951293 /nfs/dbraw/zinc/95/12/93/584951293.db2.gz HBVKBUWXDKBMOQ-FXBDTBDDSA-N 1 3 225.336 0.369 20 0 BCADHO C[NH+](C)CC1CCN(CC[S@](C)=O)CC1 ZINC000787707463 585914363 /nfs/dbraw/zinc/91/43/63/585914363.db2.gz FUVYNTFEUDMGRO-HNNXBMFYSA-N 1 3 232.393 0.639 20 0 BCADHO COc1cccc2c1OC[C@@H](NCCC[NH3+])C2 ZINC000817938185 586844130 /nfs/dbraw/zinc/84/41/30/586844130.db2.gz GLQKFSNHFBGWJZ-NSHDSACASA-N 1 3 236.315 0.937 20 0 BCADHO [NH3+]CCOc1cccc(NC(=O)CNC2CC2)c1 ZINC000818543646 586899506 /nfs/dbraw/zinc/89/95/06/586899506.db2.gz VRJUIINGVHMHKN-UHFFFAOYSA-N 1 3 249.314 0.715 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818557282 586900634 /nfs/dbraw/zinc/90/06/34/586900634.db2.gz PHHVYZCUKPSIJN-LBPRGKRZSA-N 1 3 233.315 0.579 20 0 BCADHO NCc1cccc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000818559793 586901277 /nfs/dbraw/zinc/90/12/77/586901277.db2.gz NXJOFUFJNOSOHF-UHFFFAOYSA-N 1 3 247.342 0.875 20 0 BCADHO NCc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000818561444 586901335 /nfs/dbraw/zinc/90/13/35/586901335.db2.gz UUZXZOXYLHZDAS-LLVKDONJSA-N 1 3 219.288 0.237 20 0 BCADHO CCNCC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000818614168 586906647 /nfs/dbraw/zinc/90/66/47/586906647.db2.gz UAFLEBWGADTFKK-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO O=C(CNC1CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612882 586906660 /nfs/dbraw/zinc/90/66/60/586906660.db2.gz WXLWQJZOLYPOGJ-GFCCVEGCSA-N 1 3 223.320 0.093 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612715 586906774 /nfs/dbraw/zinc/90/67/74/586906774.db2.gz UONDCSIEMUAFJN-GWCFXTLKSA-N 1 3 237.347 0.339 20 0 BCADHO CN(CCCC[NH+](C)C)C(=O)CN1CCCC1 ZINC000820135564 587026070 /nfs/dbraw/zinc/02/60/70/587026070.db2.gz NWCWYRJAVWDXSH-UHFFFAOYSA-N 1 3 241.379 0.882 20 0 BCADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cnnn1C ZINC000820810021 587074426 /nfs/dbraw/zinc/07/44/26/587074426.db2.gz NDZGHDLUXMPBJO-SNVBAGLBSA-N 1 3 237.351 0.808 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163853 589084600 /nfs/dbraw/zinc/08/46/00/589084600.db2.gz BHEXEHIWOKODTE-IJLUTSLNSA-N 1 3 238.331 0.576 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860163853 589084601 /nfs/dbraw/zinc/08/46/01/589084601.db2.gz BHEXEHIWOKODTE-IJLUTSLNSA-N 1 3 238.331 0.576 20 0 BCADHO C[NH+](C)CC1CN(C(=O)CN2CCCC2)C1 ZINC000823255159 587211205 /nfs/dbraw/zinc/21/12/05/587211205.db2.gz OERGUQMCGMUZCO-UHFFFAOYSA-N 1 3 225.336 0.102 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000825558994 587325220 /nfs/dbraw/zinc/32/52/20/587325220.db2.gz WGVWWSSSXVJQON-YFKTTZPYSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)N1CCCC1 ZINC000831822335 587633372 /nfs/dbraw/zinc/63/33/72/587633372.db2.gz FAVOMQNZJMNXSA-ZYHUDNBSSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)N1CCCC1 ZINC000831822334 587633375 /nfs/dbraw/zinc/63/33/75/587633375.db2.gz FAVOMQNZJMNXSA-PWSUYJOCSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)CC(C)(C)[NH3+] ZINC000831970596 587640345 /nfs/dbraw/zinc/64/03/45/587640345.db2.gz JGPQVCZQMLWKAG-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCC[C@@H]1C ZINC000831971449 587640507 /nfs/dbraw/zinc/64/05/07/587640507.db2.gz XTEBOWQVAWXULC-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCC[C@H]1C ZINC000831970423 587640626 /nfs/dbraw/zinc/64/06/26/587640626.db2.gz HCLPMCACEOCPSV-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000831971254 587640709 /nfs/dbraw/zinc/64/07/09/587640709.db2.gz UNMYJNKQLHVCDK-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](NC(=O)[C@]1(F)CCNC1)[C@@H]1CCC[NH2+]C1 ZINC000832498183 587663454 /nfs/dbraw/zinc/66/34/54/587663454.db2.gz WSTDJXVXKJDDAP-UMNHJUIQSA-N 1 3 243.326 0.192 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN)c2)C1 ZINC000832555054 587666644 /nfs/dbraw/zinc/66/66/44/587666644.db2.gz ZMBKHVPFJCRKIN-CYBMUJFWSA-N 1 3 247.342 0.969 20 0 BCADHO CC[NH2+]CCNC(=O)c1cccc(CN)c1 ZINC000832582173 587668275 /nfs/dbraw/zinc/66/82/75/587668275.db2.gz UTSIZLPTNWWIDR-UHFFFAOYSA-N 1 3 221.304 0.485 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(CN)c1 ZINC000832829365 587692905 /nfs/dbraw/zinc/69/29/05/587692905.db2.gz SHRQFXBEGQWETG-ZDUSSCGKSA-N 1 3 247.342 0.969 20 0 BCADHO NCc1cccc(C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000834404737 587754444 /nfs/dbraw/zinc/75/44/44/587754444.db2.gz GCFMMILFZFWWBB-GFCCVEGCSA-N 1 3 233.315 0.612 20 0 BCADHO NCc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000834698578 587764485 /nfs/dbraw/zinc/76/44/85/587764485.db2.gz LBJHPLVMOJWCKK-BETUJISGSA-N 1 3 245.326 0.437 20 0 BCADHO CC(C)([NH3+])CC(=O)N[C@H]1CNCCC1(F)F ZINC000834846205 587768384 /nfs/dbraw/zinc/76/83/84/587768384.db2.gz PDUOUABBIQBCBT-ZETCQYMHSA-N 1 3 235.278 0.227 20 0 BCADHO C[C@@H]1C[C@H](CN2CCC3(C2)OCCO3)CC[NH2+]1 ZINC000841007559 587934735 /nfs/dbraw/zinc/93/47/35/587934735.db2.gz YWTWXHOFVCYQSZ-VXGBXAGGSA-N 1 3 240.347 0.823 20 0 BCADHO c1cc2c(cc1N[C@H]1CC[NH2+]C1)CNCCO2 ZINC000841082637 587945743 /nfs/dbraw/zinc/94/57/43/587945743.db2.gz NMDJUXGSKVAPNU-LBPRGKRZSA-N 1 3 233.315 0.942 20 0 BCADHO c1cc2c(cc1N[C@@H]1CC[NH2+]C1)CNCCO2 ZINC000841082635 587945908 /nfs/dbraw/zinc/94/59/08/587945908.db2.gz NMDJUXGSKVAPNU-GFCCVEGCSA-N 1 3 233.315 0.942 20 0 BCADHO CN(C(=O)[C@@]1(F)CCNC1)C1(C[NH3+])CCC1 ZINC000841852014 587975899 /nfs/dbraw/zinc/97/58/99/587975899.db2.gz BVIDZDGUAGXNQR-LLVKDONJSA-N 1 3 229.299 0.028 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)c1cccc(C[NH3+])c1 ZINC000841849491 587977669 /nfs/dbraw/zinc/97/76/69/587977669.db2.gz XRKUYZDERRQJEM-WDEREUQCSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)CN1 ZINC000841849429 587977870 /nfs/dbraw/zinc/97/78/70/587977870.db2.gz UCMIIZAYEIIDEK-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@]1(CNC(=O)[C@@]2(F)CCNC2)CCC[NH2+]C1 ZINC000841849980 587977887 /nfs/dbraw/zinc/97/78/87/587977887.db2.gz RYIJUJSCEGDCHE-VXGBXAGGSA-N 1 3 243.326 0.194 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)c1cccc(CN)c1 ZINC000841848549 587978020 /nfs/dbraw/zinc/97/80/20/587978020.db2.gz LNGVYODBAGUQDE-GFCCVEGCSA-N 1 3 235.331 0.858 20 0 BCADHO O=C(N(C1CC1)[C@@H]1CC[NH2+]C1)[C@]1(F)CCNC1 ZINC000841848627 587978042 /nfs/dbraw/zinc/97/80/42/587978042.db2.gz SUFYJZZHKRBFRT-PWSUYJOCSA-N 1 3 241.310 0.041 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)NC1CC1 ZINC000841851079 587978265 /nfs/dbraw/zinc/97/82/65/587978265.db2.gz KCBAMPNEHXKUQY-QXEWZRGKSA-N 1 3 243.326 0.285 20 0 BCADHO CCN(CCCCCCC[NH3+])CC(=O)NC ZINC000842471682 588029340 /nfs/dbraw/zinc/02/93/40/588029340.db2.gz RVPPJDMQXJAMLS-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO CCCCCCN(C)CC(=O)N(C)CC[NH3+] ZINC000842511498 588032067 /nfs/dbraw/zinc/03/20/67/588032067.db2.gz YFPXNYWVHQGUPV-UHFFFAOYSA-N 1 3 229.368 0.916 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000843058933 588077988 /nfs/dbraw/zinc/07/79/88/588077988.db2.gz CKOUQXDLYNIWPI-JTQLQIEISA-N 1 3 228.336 0.809 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000843058933 588077990 /nfs/dbraw/zinc/07/79/90/588077990.db2.gz CKOUQXDLYNIWPI-JTQLQIEISA-N 1 3 228.336 0.809 20 0 BCADHO O=C1OCC[C@@]12CCCN2CC1CC[NH2+]CC1 ZINC000843119595 588083287 /nfs/dbraw/zinc/08/32/87/588083287.db2.gz UWSGQSKIAFNHTC-ZDUSSCGKSA-N 1 3 238.331 0.768 20 0 BCADHO C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327062 588100262 /nfs/dbraw/zinc/10/02/62/588100262.db2.gz BRJMCEUEBZRTNK-VIFPVBQESA-N 1 3 221.304 0.151 20 0 BCADHO CCNCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000843351251 588102538 /nfs/dbraw/zinc/10/25/38/588102538.db2.gz HQSDJNCSURPSLS-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(OCC(=O)NCCCCCC[NH3+])CNC1 ZINC000843513003 588118268 /nfs/dbraw/zinc/11/82/68/588118268.db2.gz WPVYXOBZAHZIFB-UHFFFAOYSA-N 1 3 243.351 0.000 20 0 BCADHO CCNCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000844185033 588170607 /nfs/dbraw/zinc/17/06/07/588170607.db2.gz DJCBSQKFFDXYRB-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCNCC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000844185033 588170608 /nfs/dbraw/zinc/17/06/08/588170608.db2.gz DJCBSQKFFDXYRB-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000844171893 588171981 /nfs/dbraw/zinc/17/19/81/588171981.db2.gz NZKAGLHUEIZYBR-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000844171893 588171982 /nfs/dbraw/zinc/17/19/82/588171982.db2.gz NZKAGLHUEIZYBR-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+]CC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000844178061 588172410 /nfs/dbraw/zinc/17/24/10/588172410.db2.gz JOEUEUPFENEAJL-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000844171891 588172440 /nfs/dbraw/zinc/17/24/40/588172440.db2.gz NZKAGLHUEIZYBR-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000844171891 588172442 /nfs/dbraw/zinc/17/24/42/588172442.db2.gz NZKAGLHUEIZYBR-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCCN(C)CC(=O)NCCCCCC[NH3+] ZINC000844200759 588173202 /nfs/dbraw/zinc/17/32/02/588173202.db2.gz FJKVJBMKJSPKPD-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO CN(CCN1CCCCC1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000846700834 588283308 /nfs/dbraw/zinc/28/33/08/588283308.db2.gz IQYMXRTVOIKNRD-MNOVXSKESA-N 1 3 225.336 0.278 20 0 BCADHO CC[NH2+]CC(=O)N(C)CCN1CCCCC1 ZINC000846700355 588283371 /nfs/dbraw/zinc/28/33/71/588283371.db2.gz BFJSIZFURSWKMP-UHFFFAOYSA-N 1 3 227.352 0.540 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846700384 588283555 /nfs/dbraw/zinc/28/35/55/588283555.db2.gz CFYJMFWVZBIYGW-JTQLQIEISA-N 1 3 239.363 0.633 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H](CCO)C1CC1 ZINC000846855320 588293387 /nfs/dbraw/zinc/29/33/87/588293387.db2.gz UQUGDBTVNRNNLC-NEPJUHHUSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](CCO)C1CC1 ZINC000846855320 588293388 /nfs/dbraw/zinc/29/33/88/588293388.db2.gz UQUGDBTVNRNNLC-NEPJUHHUSA-N 1 3 230.352 0.050 20 0 BCADHO NC[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438211 588385064 /nfs/dbraw/zinc/38/50/64/588385064.db2.gz QVIATTFJAZJTRJ-RNFRBKRXSA-N 1 3 239.241 0.120 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)CC[NH2+]C1CC1 ZINC000848460382 588386026 /nfs/dbraw/zinc/38/60/26/588386026.db2.gz JWGQPBHONBOGJD-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@H](CNC1=[NH+]CCN1C)N1CCCC1 ZINC000848986321 588425553 /nfs/dbraw/zinc/42/55/53/588425553.db2.gz CBSLQRDJOYDMKO-NSHDSACASA-N 1 3 224.352 0.752 20 0 BCADHO [NH2+]=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC1 ZINC000849000279 588430476 /nfs/dbraw/zinc/43/04/76/588430476.db2.gz OVUYXZNHPFQZQK-MNOVXSKESA-N 1 3 238.335 0.080 20 0 BCADHO CNC(=S)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000849275897 588468405 /nfs/dbraw/zinc/46/84/05/588468405.db2.gz YTGUSNOSYOUMHT-JTQLQIEISA-N 1 3 246.424 0.352 20 0 BCADHO CNC(=S)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000849275897 588468407 /nfs/dbraw/zinc/46/84/07/588468407.db2.gz YTGUSNOSYOUMHT-JTQLQIEISA-N 1 3 246.424 0.352 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])C1 ZINC000851663320 588613805 /nfs/dbraw/zinc/61/38/05/588613805.db2.gz APCMFEGNZWIHBA-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO CC1(C)CNCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852798370 588703736 /nfs/dbraw/zinc/70/37/36/588703736.db2.gz JHIXCIKCYSYYQQ-UHFFFAOYSA-N 1 3 237.347 0.507 20 0 BCADHO O=C(NC1CC[NH2+]CC1)[C@H]1NCC12CCCC2 ZINC000852824946 588706053 /nfs/dbraw/zinc/70/60/53/588706053.db2.gz DCFDDGYTFDGDTD-LLVKDONJSA-N 1 3 237.347 0.387 20 0 BCADHO C[NH2+]CCN(C)C(=O)C[C@H]1NCc2ccccc21 ZINC000852826551 588706167 /nfs/dbraw/zinc/70/61/67/588706167.db2.gz MWYVFDXTYDAVNN-CYBMUJFWSA-N 1 3 247.342 0.899 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000852832542 588706938 /nfs/dbraw/zinc/70/69/38/588706938.db2.gz NDYGIWVRRIJVFH-HTQZYQBOSA-N 1 3 235.278 0.098 20 0 BCADHO [NH3+]C1(CNC(=O)[C@]2(F)CCNC2)CCCC1 ZINC000852852302 588708177 /nfs/dbraw/zinc/70/81/77/588708177.db2.gz STHSPBPVZGDPFE-NSHDSACASA-N 1 3 229.299 0.076 20 0 BCADHO N[C@@H]1CN(C(=O)CCCCCC[NH3+])CC[C@H]1F ZINC000852870096 588709503 /nfs/dbraw/zinc/70/95/03/588709503.db2.gz POSHYBMROJNTSZ-GHMZBOCLSA-N 1 3 245.342 0.793 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C=C1CC[NH2+]CC1 ZINC000852878096 588710315 /nfs/dbraw/zinc/71/03/15/588710315.db2.gz HSZUUIMIZSXEMK-WDEREUQCSA-N 1 3 237.347 0.505 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)c1cccc(CN)c1 ZINC000852921411 588713294 /nfs/dbraw/zinc/71/32/94/588713294.db2.gz MIKLBDGMSXSUPE-VIFPVBQESA-N 1 3 221.304 0.483 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000861591900 589169231 /nfs/dbraw/zinc/16/92/31/589169231.db2.gz BYIHQLLKWXGAEH-GARJFASQSA-N 1 3 242.367 0.458 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1cc(C)nn1C ZINC000863544204 589296959 /nfs/dbraw/zinc/29/69/59/589296959.db2.gz NIPZLRAKKQKSGA-NSHDSACASA-N 1 3 240.351 0.615 20 0 BCADHO O=CN1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000863541366 589297305 /nfs/dbraw/zinc/29/73/05/589297305.db2.gz HUVPZRTZOKAOCJ-GFCCVEGCSA-N 1 3 237.347 0.481 20 0 BCADHO CC[C@H](C(=O)N(C)CC[NH2+]C)N(C)C ZINC000863585284 589302107 /nfs/dbraw/zinc/30/21/07/589302107.db2.gz UMWCCCDJPVEPQQ-SECBINFHSA-N 1 3 201.314 0.004 20 0 BCADHO CN(C)CCCNC(=[NH2+])NCCC1CC1 ZINC000864451880 589365130 /nfs/dbraw/zinc/36/51/30/589365130.db2.gz KAIMTZYAAGPRON-UHFFFAOYSA-N 1 3 212.341 0.852 20 0 BCADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCCNc1ccncc1 ZINC000864455284 589366562 /nfs/dbraw/zinc/36/65/62/589366562.db2.gz LVHHTSUBTYEWMN-ONGXEEELSA-N 1 3 233.319 0.438 20 0 BCADHO CC1(C)C[C@@H](O)CN(C[C@@H]2CC[NH2+]C2)C1 ZINC000866703654 589513187 /nfs/dbraw/zinc/51/31/87/589513187.db2.gz NNHFCYQDWODYMG-GHMZBOCLSA-N 1 3 212.337 0.689 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868013374 589544471 /nfs/dbraw/zinc/54/44/71/589544471.db2.gz FADSFTMOVKDJDC-IUCAKERBSA-N 1 3 213.325 0.099 20 0 BCADHO COCC(C)(C)NC[C@H](O)C[NH+]1CCCC1 ZINC000122351579 589582561 /nfs/dbraw/zinc/58/25/61/589582561.db2.gz VJJCHFKSIRGDMZ-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO CN1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870857869 589691534 /nfs/dbraw/zinc/69/15/34/589691534.db2.gz AAJDDMQVIGDBRN-PHIMTYICSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000870892832 589695157 /nfs/dbraw/zinc/69/51/57/589695157.db2.gz NDMSVVJZWIYGER-OUAUKWLOSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870969085 589702732 /nfs/dbraw/zinc/70/27/32/589702732.db2.gz RPXXKUQKCZMREM-QEYWKRMJSA-N 1 3 213.325 0.213 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971597 589703199 /nfs/dbraw/zinc/70/31/99/589703199.db2.gz FMMRSASCPHBCFV-JHJVBQTASA-N 1 3 247.342 0.410 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870975721 589704026 /nfs/dbraw/zinc/70/40/26/589704026.db2.gz ZELYAWSTKKXQPK-VLEAKVRGSA-N 1 3 225.336 0.371 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)CNC3CC3)CC[C@H]21 ZINC000870982256 589705545 /nfs/dbraw/zinc/70/55/45/589705545.db2.gz MDIJDXXCWBHZIH-CMPLNLGQSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)CNC3CC3)CC[C@H]21 ZINC000870982256 589705548 /nfs/dbraw/zinc/70/55/48/589705548.db2.gz MDIJDXXCWBHZIH-CMPLNLGQSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@H](NC(=O)[C@@]1(F)CCNC1)C1CC[NH2+]CC1 ZINC000870985971 589705724 /nfs/dbraw/zinc/70/57/24/589705724.db2.gz APPTWGVIMFDSHY-JOYOIKCWSA-N 1 3 243.326 0.192 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870991648 589708124 /nfs/dbraw/zinc/70/81/24/589708124.db2.gz FXQDZWDVTIXCES-CABZTGNLSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994917 589708166 /nfs/dbraw/zinc/70/81/66/589708166.db2.gz YDSDFMKJZQOIDK-GXFFZTMASA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000870991006 589708186 /nfs/dbraw/zinc/70/81/86/589708186.db2.gz CPVOMKKJTJHNAR-NRUUGDAUSA-N 1 3 239.363 0.557 20 0 BCADHO CN(CCOCC[NH3+])C[C@H]1CC2(CCC2)CO1 ZINC000872145724 589884453 /nfs/dbraw/zinc/88/44/53/589884453.db2.gz WJBIQNQVVXDKQS-GFCCVEGCSA-N 1 3 242.363 0.853 20 0 BCADHO [NH3+][C@H](CC(=O)NCCN1CCCCC1)C1CC1 ZINC000123982103 589889376 /nfs/dbraw/zinc/88/93/76/589889376.db2.gz DUVLCKLYOVIUFW-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CC(C)(C)O ZINC000872201713 589890830 /nfs/dbraw/zinc/89/08/30/589890830.db2.gz HXKXTPSUUIIIEX-MNOVXSKESA-N 1 3 232.368 0.438 20 0 BCADHO CS[C@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000872224865 589897500 /nfs/dbraw/zinc/89/75/00/589897500.db2.gz PJUCGZQAKNYJEI-SRVKXCTJSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCNCCC1(C)C ZINC000872290357 589906262 /nfs/dbraw/zinc/90/62/62/589906262.db2.gz NBSLCPVGGGAWDR-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCNCCC1(C)C ZINC000872290358 589906840 /nfs/dbraw/zinc/90/68/40/589906840.db2.gz NBSLCPVGGGAWDR-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872296951 589907304 /nfs/dbraw/zinc/90/73/04/589907304.db2.gz CLIXZDZFJSRAMQ-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC1(C)CCNCCN1C(=O)CC[NH2+]C1CC1 ZINC000872301824 589908346 /nfs/dbraw/zinc/90/83/46/589908346.db2.gz UZWAORAYWUTYKB-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000124089784 589940545 /nfs/dbraw/zinc/94/05/45/589940545.db2.gz LLZOFOLCNBVRLH-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CCC2OCCO2)C1 ZINC000124301430 589974052 /nfs/dbraw/zinc/97/40/52/589974052.db2.gz FTCNGBDPNBNHGB-LLVKDONJSA-N 1 3 228.336 0.633 20 0 BCADHO C[C@@H](CCCC[NH3+])NCc1cnc(N)cn1 ZINC000873212197 589995810 /nfs/dbraw/zinc/99/58/10/589995810.db2.gz JSYIRIQXOHWYGQ-VIFPVBQESA-N 1 3 223.324 0.666 20 0 BCADHO C[C@@H](CCC[NH3+])NCc1cnc(N)cn1 ZINC000873211508 589996156 /nfs/dbraw/zinc/99/61/56/589996156.db2.gz AQOKFRBISGANQH-QMMMGPOBSA-N 1 3 209.297 0.276 20 0 BCADHO Nc1cnc(CN[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000873212167 589996373 /nfs/dbraw/zinc/99/63/73/589996373.db2.gz IYIJNJJJCMFLRN-JTQLQIEISA-N 1 3 233.319 0.291 20 0 BCADHO C[C@@H](O)C[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873211494 589996400 /nfs/dbraw/zinc/99/64/00/589996400.db2.gz AFHLOTQNJDSCBK-MRVPVSSYSA-N 1 3 226.345 0.864 20 0 BCADHO Nc1cnc(CN[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000873212168 589996441 /nfs/dbraw/zinc/99/64/41/589996441.db2.gz IYIJNJJJCMFLRN-SNVBAGLBSA-N 1 3 233.319 0.291 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873239385 590005796 /nfs/dbraw/zinc/00/57/96/590005796.db2.gz VGBWDWAKZWSSBL-QMNVILFCSA-N 1 3 222.332 0.879 20 0 BCADHO C[C@@H](NC[C@H]1C[C@@H]([NH3+])C1)c1ccn(C)n1 ZINC000873250927 590008313 /nfs/dbraw/zinc/00/83/13/590008313.db2.gz RUTJDJAPTXAAPI-BBBLOLIVSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H](NC[C@H]1Cc2ccccc2CN1)C1C[NH2+]C1 ZINC000873297198 590024646 /nfs/dbraw/zinc/02/46/46/590024646.db2.gz TYCZSNCBDORPSG-IAQYHMDHSA-N 1 3 245.370 0.898 20 0 BCADHO C[C@H]1CCNCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297568 590024923 /nfs/dbraw/zinc/02/49/23/590024923.db2.gz YEWCULDRDISGOA-BJDJZHNGSA-N 1 3 212.337 0.735 20 0 BCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000876736513 590234691 /nfs/dbraw/zinc/23/46/91/590234691.db2.gz UYZMVAKQMGLOIV-PAQYWAQKSA-N 1 3 239.363 0.464 20 0 BCADHO C[NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C ZINC000876792548 590241919 /nfs/dbraw/zinc/24/19/19/590241919.db2.gz QRLJJYPANMGIFB-UHFFFAOYSA-N 1 3 229.368 0.642 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C)CN1 ZINC000876796796 590242439 /nfs/dbraw/zinc/24/24/39/590242439.db2.gz JDLLUUBAMZISJY-VPOLOUISSA-N 1 3 239.363 0.569 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876831767 590247810 /nfs/dbraw/zinc/24/78/10/590247810.db2.gz JUBGRIBHRUTKGO-KZVJFYERSA-N 1 3 247.289 0.035 20 0 BCADHO CN(C)CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876848390 590249351 /nfs/dbraw/zinc/24/93/51/590249351.db2.gz RVTUXDPSNSXYIF-GZTOBOFZSA-N 1 3 225.336 0.220 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CNCCC2(F)F)C1 ZINC000876864192 590250949 /nfs/dbraw/zinc/25/09/49/590250949.db2.gz LCHSZDXUFSFUSL-BDAKNGLRSA-N 1 3 245.273 0.147 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCN1 ZINC000876872338 590252020 /nfs/dbraw/zinc/25/20/20/590252020.db2.gz BAUBGGQWZNGSJL-YUMQZZPRSA-N 1 3 247.289 0.037 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877095082 590278718 /nfs/dbraw/zinc/27/87/18/590278718.db2.gz INUVSFNMSCEPON-PSASIEDQSA-N 1 3 201.314 0.310 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000877095652 590282089 /nfs/dbraw/zinc/28/20/89/590282089.db2.gz NYIIBQBIKRVDAZ-HTQZYQBOSA-N 1 3 201.314 0.165 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000877102216 590283249 /nfs/dbraw/zinc/28/32/49/590283249.db2.gz BYNHNBNECDSNFL-YUMQZZPRSA-N 1 3 235.278 0.037 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000877102674 590283657 /nfs/dbraw/zinc/28/36/57/590283657.db2.gz LAORDQKEHWPHND-DCAQKATOSA-N 1 3 227.352 0.665 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103922 590284015 /nfs/dbraw/zinc/28/40/15/590284015.db2.gz WUNAYMQSOVPWBY-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH3+])N(C)C ZINC000877103640 590284319 /nfs/dbraw/zinc/28/43/19/590284319.db2.gz XBKJWWYLKQHAIA-UWVGGRQHSA-N 1 3 215.341 0.378 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@H](C)CCN1 ZINC000877105884 590284918 /nfs/dbraw/zinc/28/49/18/590284918.db2.gz STXJUFPOQYZCHZ-KXUCPTDWSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)c1cccc2c1CCNC2 ZINC000877106862 590285238 /nfs/dbraw/zinc/28/52/38/590285238.db2.gz XGCPAENJHQTALV-SNVBAGLBSA-N 1 3 247.342 0.752 20 0 BCADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000877137250 590291225 /nfs/dbraw/zinc/29/12/25/590291225.db2.gz RHIKGYQHFBASGC-QJPTWQEYSA-N 1 3 231.299 0.802 20 0 BCADHO CC(C)(N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877158037 590294211 /nfs/dbraw/zinc/29/42/11/590294211.db2.gz OSTBELYGJIBRFI-VIFPVBQESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cccc(CN)c1 ZINC000877174121 590296869 /nfs/dbraw/zinc/29/68/69/590296869.db2.gz AOPLNSMQNWFDSE-JOYOIKCWSA-N 1 3 233.315 0.707 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192286 590299153 /nfs/dbraw/zinc/29/91/53/590299153.db2.gz KIZULHCPDSWTDR-YDGIUTOCSA-N 1 3 239.363 0.986 20 0 BCADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH3+])C1)CC(C)(C)C ZINC000877241208 590302129 /nfs/dbraw/zinc/30/21/29/590302129.db2.gz NAROLZDEMLJIKS-PHIMTYICSA-N 1 3 241.379 0.818 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877243026 590302811 /nfs/dbraw/zinc/30/28/11/590302811.db2.gz KTZXTHSRUFOCEY-AXFHLTTASA-N 1 3 239.363 0.618 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242921 590302852 /nfs/dbraw/zinc/30/28/52/590302852.db2.gz AFJNGUSWPPFWCB-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272291 590305620 /nfs/dbraw/zinc/30/56/20/590305620.db2.gz HIVBKTAJHCAEEU-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283408 590306941 /nfs/dbraw/zinc/30/69/41/590306941.db2.gz PFBNTBFCBQXQAY-UTLUCORTSA-N 1 3 211.309 0.077 20 0 BCADHO [NH3+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCNC2)CC1 ZINC000877291943 590307856 /nfs/dbraw/zinc/30/78/56/590307856.db2.gz RTVNXHIZUOKOIN-QXEWZRGKSA-N 1 3 229.299 0.074 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877342829 590317788 /nfs/dbraw/zinc/31/77/88/590317788.db2.gz FWWKABKVOPGZFB-GXFFZTMASA-N 1 3 247.342 0.412 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877344370 590319166 /nfs/dbraw/zinc/31/91/66/590319166.db2.gz XSSAKNGDTXZWIJ-ZDUSSCGKSA-N 1 3 247.342 0.427 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375475 590319885 /nfs/dbraw/zinc/31/98/85/590319885.db2.gz YYLQEAGJEHAVLB-WCQYABFASA-N 1 3 239.363 0.396 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380220 590320781 /nfs/dbraw/zinc/32/07/81/590320781.db2.gz XVYVNXIHWMZYEI-UHTWSYAYSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390726 590321937 /nfs/dbraw/zinc/32/19/37/590321937.db2.gz LVNOLGBWUGXOLR-WCABBAIRSA-N 1 3 211.309 0.125 20 0 BCADHO CCN(CC)CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391488 590322093 /nfs/dbraw/zinc/32/20/93/590322093.db2.gz NZERPMMRIICRPQ-WCQYABFASA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877390725 590322161 /nfs/dbraw/zinc/32/21/61/590322161.db2.gz LVNOLGBWUGXOLR-KKZNHRDASA-N 1 3 211.309 0.125 20 0 BCADHO CC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879573767 590808590 /nfs/dbraw/zinc/80/85/90/590808590.db2.gz RCUJKGZVFOUZPS-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879573767 590808594 /nfs/dbraw/zinc/80/85/94/590808594.db2.gz RCUJKGZVFOUZPS-SDDRHHMPSA-N 1 3 212.337 0.783 20 0 BCADHO CC(=O)NCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879570779 590808787 /nfs/dbraw/zinc/80/87/87/590808787.db2.gz IRSZLTNQBGDNPD-CHWSQXEVSA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)NCCC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879570779 590808790 /nfs/dbraw/zinc/80/87/90/590808790.db2.gz IRSZLTNQBGDNPD-CHWSQXEVSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879573656 590809438 /nfs/dbraw/zinc/80/94/38/590809438.db2.gz PJGBNSUXYPKZJP-QJPTWQEYSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879573656 590809444 /nfs/dbraw/zinc/80/94/44/590809444.db2.gz PJGBNSUXYPKZJP-QJPTWQEYSA-N 1 3 228.336 0.020 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879574117 590814174 /nfs/dbraw/zinc/81/41/74/590814174.db2.gz XNPSMUWUNGRVKV-YNEHKIRRSA-N 1 3 242.363 0.410 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879574117 590814177 /nfs/dbraw/zinc/81/41/77/590814177.db2.gz XNPSMUWUNGRVKV-YNEHKIRRSA-N 1 3 242.363 0.410 20 0 BCADHO C[C@H](CO)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580810 590820507 /nfs/dbraw/zinc/82/05/07/590820507.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879580810 590820511 /nfs/dbraw/zinc/82/05/11/590820511.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580810 590820514 /nfs/dbraw/zinc/82/05/14/590820514.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580810 590820517 /nfs/dbraw/zinc/82/05/17/590820517.db2.gz KXVRWLOXWRPWLM-QJPTWQEYSA-N 1 3 212.337 0.641 20 0 BCADHO CN1CC[C@@H]2C[N@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000879580581 590821710 /nfs/dbraw/zinc/82/17/10/590821710.db2.gz UHLDXAQOPZTRTB-AGIUHOORSA-N 1 3 224.348 0.783 20 0 BCADHO CN1CC[C@@H]2C[N@@H+](C[C@H](O)C3CC3)CC[C@@H]21 ZINC000879580581 590821711 /nfs/dbraw/zinc/82/17/11/590821711.db2.gz UHLDXAQOPZTRTB-AGIUHOORSA-N 1 3 224.348 0.783 20 0 BCADHO COC[C@@H](O)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473431 591053379 /nfs/dbraw/zinc/05/33/79/591053379.db2.gz YYROCBLEWDFZLE-LBPRGKRZSA-N 1 3 242.363 0.554 20 0 BCADHO CC[N@@H+]1CC[C@@H](NC[C@H](O)COC)[C@H](C)C1 ZINC000129611507 591340442 /nfs/dbraw/zinc/34/04/42/591340442.db2.gz MFRHOGXEXLBVKN-GRYCIOLGSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@@H](NC[C@H](O)COC)[C@H](C)C1 ZINC000129611507 591340445 /nfs/dbraw/zinc/34/04/45/591340445.db2.gz MFRHOGXEXLBVKN-GRYCIOLGSA-N 1 3 230.352 0.314 20 0 BCADHO [NH3+][C@H](CC(=O)NCCN1CCCC1)C1CC1 ZINC000129772122 591402390 /nfs/dbraw/zinc/40/23/90/591402390.db2.gz SJTHJZZURBISQB-LLVKDONJSA-N 1 3 225.336 0.326 20 0 BCADHO CN(CCNC(=O)C[C@@H]([NH3+])C1CC1)C1CC1 ZINC000129873114 591414541 /nfs/dbraw/zinc/41/45/41/591414541.db2.gz GGBBIYCACFJFIJ-LLVKDONJSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CNC(=O)c1ccc2c(c1)CNC2)[NH+](C)C ZINC000131118669 591554389 /nfs/dbraw/zinc/55/43/89/591554389.db2.gz ZLKYOPSJXOTPKL-SNVBAGLBSA-N 1 3 247.342 0.970 20 0 BCADHO COC[C@H](NCCC[NH+](C)C)[C@H]1CCCOC1 ZINC000883164787 591558834 /nfs/dbraw/zinc/55/88/34/591558834.db2.gz ODCAMPAVUNWRSS-STQMWFEESA-N 1 3 244.379 0.969 20 0 BCADHO [NH3+]C[C@H](NCCn1cnnn1)C1CCCCC1 ZINC000883429814 591660899 /nfs/dbraw/zinc/66/08/99/591660899.db2.gz FTLWRWJPYJGOBO-NSHDSACASA-N 1 3 238.339 0.170 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@H](CF)C1 ZINC000883447533 591671322 /nfs/dbraw/zinc/67/13/22/591671322.db2.gz DZHBCSYFOHKUCR-NXEZZACHSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@H](CF)C1 ZINC000883447533 591671324 /nfs/dbraw/zinc/67/13/24/591671324.db2.gz DZHBCSYFOHKUCR-NXEZZACHSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@H](CF)C1 ZINC000883447533 591671327 /nfs/dbraw/zinc/67/13/27/591671327.db2.gz DZHBCSYFOHKUCR-NXEZZACHSA-N 1 3 204.289 0.248 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000883447055 591671583 /nfs/dbraw/zinc/67/15/83/591671583.db2.gz RNTZUQUGSMQYEO-WDEREUQCSA-N 1 3 218.316 0.638 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000883447055 591671584 /nfs/dbraw/zinc/67/15/84/591671584.db2.gz RNTZUQUGSMQYEO-WDEREUQCSA-N 1 3 218.316 0.638 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[NH2+]CCC12CCC2 ZINC000883460229 591673893 /nfs/dbraw/zinc/67/38/93/591673893.db2.gz SATGCAYIWZQUDK-LBPRGKRZSA-N 1 3 239.363 0.193 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132500223 591715164 /nfs/dbraw/zinc/71/51/64/591715164.db2.gz TWRJGHHRVKSJLW-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132500223 591715166 /nfs/dbraw/zinc/71/51/66/591715166.db2.gz TWRJGHHRVKSJLW-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO CCNCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000132889433 591746822 /nfs/dbraw/zinc/74/68/22/591746822.db2.gz ILURUOMDZPQLPV-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CCNCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000132889433 591746824 /nfs/dbraw/zinc/74/68/24/591746824.db2.gz ILURUOMDZPQLPV-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884004951 591793026 /nfs/dbraw/zinc/79/30/26/591793026.db2.gz PQFLGRYAKVYUQP-ZJUUUORDSA-N 1 3 211.309 0.064 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884006287 591794358 /nfs/dbraw/zinc/79/43/58/591794358.db2.gz MIPGOHONMKDEBT-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC(C[NH3+])CC1 ZINC000884011585 591797793 /nfs/dbraw/zinc/79/77/93/591797793.db2.gz JHVUGLNIGAIFOE-LLVKDONJSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](N)CC1CC1 ZINC000884013733 591798476 /nfs/dbraw/zinc/79/84/76/591798476.db2.gz QVZSVFRNYUOALN-MVWJERBFSA-N 1 3 239.363 0.842 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000884013709 591798518 /nfs/dbraw/zinc/79/85/18/591798518.db2.gz QLOJIPMBJPJZGK-DCAQKATOSA-N 1 3 243.351 0.079 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000884024923 591806267 /nfs/dbraw/zinc/80/62/67/591806267.db2.gz HSLQCKLQYVGLGH-CABZTGNLSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@](C[NH3+])(NC(=O)[C@H](N)CC1CC1)C1CC1 ZINC000884031460 591815182 /nfs/dbraw/zinc/81/51/82/591815182.db2.gz PRVZAWZIIPIMTM-ZYHUDNBSSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884033689 591816078 /nfs/dbraw/zinc/81/60/78/591816078.db2.gz REIJDBFSHBIJOP-WCQGTBRESA-N 1 3 239.363 0.700 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CC1CC1 ZINC000884040294 591822045 /nfs/dbraw/zinc/82/20/45/591822045.db2.gz PPOYANUCKZDWAS-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](N)CC1CC1 ZINC000884041514 591823940 /nfs/dbraw/zinc/82/39/40/591823940.db2.gz ADHRGRKXHUZBSI-VXGBXAGGSA-N 1 3 241.379 0.946 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)CC1CC1)C1CC1 ZINC000884196532 591872830 /nfs/dbraw/zinc/87/28/30/591872830.db2.gz UFLOSEOEGOAUMM-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)CCOC ZINC000884207364 591873773 /nfs/dbraw/zinc/87/37/73/591873773.db2.gz UHBOJMKXXVACTM-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)CCOC ZINC000884207364 591873775 /nfs/dbraw/zinc/87/37/75/591873775.db2.gz UHBOJMKXXVACTM-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)CC2CC2)C1 ZINC000884227647 591875604 /nfs/dbraw/zinc/87/56/04/591875604.db2.gz VARWXFITIACMSP-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CC2CC2)C1 ZINC000884227647 591875606 /nfs/dbraw/zinc/87/56/06/591875606.db2.gz VARWXFITIACMSP-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@@H](C)CN1 ZINC000884245125 591882484 /nfs/dbraw/zinc/88/24/84/591882484.db2.gz QHVQAMNTYOVZEB-OUAUKWLOSA-N 1 3 239.363 0.441 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000884267378 591888619 /nfs/dbraw/zinc/88/86/19/591888619.db2.gz DTLAVHMVPGJWJK-MXWKQRLJSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC2CC2)CC[NH2+]1 ZINC000884274746 591889530 /nfs/dbraw/zinc/88/95/30/591889530.db2.gz UDVYMFMFYDOWGF-MIMYLULJSA-N 1 3 225.336 0.371 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CC1CC1 ZINC000884275765 591891245 /nfs/dbraw/zinc/89/12/45/591891245.db2.gz VFFRBUQYVFAJCS-PSASIEDQSA-N 1 3 213.325 0.228 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000884293481 591895834 /nfs/dbraw/zinc/89/58/34/591895834.db2.gz DHXQIHFVQGQLCC-TUAOUCFPSA-N 1 3 237.347 0.324 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336889 591906012 /nfs/dbraw/zinc/90/60/12/591906012.db2.gz ZGXUDLVBTKDXLW-NWDGAFQWSA-N 1 3 239.363 0.748 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357772 591911048 /nfs/dbraw/zinc/91/10/48/591911048.db2.gz FCKCSHFOVVJQLH-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358920 591912823 /nfs/dbraw/zinc/91/28/23/591912823.db2.gz ZZPPIGKDWGARHC-IWSPIJDZSA-N 1 3 225.336 0.226 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000884361434 591914467 /nfs/dbraw/zinc/91/44/67/591914467.db2.gz SHKJQTKVSLFLNA-UTLUCORTSA-N 1 3 225.336 0.356 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884361558 591914913 /nfs/dbraw/zinc/91/49/13/591914913.db2.gz VAMREUZYMQIANA-VPOLOUISSA-N 1 3 239.363 0.617 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000884375655 591919559 /nfs/dbraw/zinc/91/95/59/591919559.db2.gz HNOMODOUZZCQAV-CYBMUJFWSA-N 1 3 247.342 0.889 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)CC1CC1 ZINC000884396463 591924123 /nfs/dbraw/zinc/92/41/23/591924123.db2.gz DNRYUBNGOYYSBV-SECBINFHSA-N 1 3 213.325 0.310 20 0 BCADHO N[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CC2)CC[C@H]1F ZINC000884419254 591928680 /nfs/dbraw/zinc/92/86/80/591928680.db2.gz LQNGWPYUWPKCOR-OPRDCNLKSA-N 1 3 229.299 0.012 20 0 BCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000884418760 591928961 /nfs/dbraw/zinc/92/89/61/591928961.db2.gz VBFNQIOPNYDYEI-OPRDCNLKSA-N 1 3 243.326 0.130 20 0 BCADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884430536 591931583 /nfs/dbraw/zinc/93/15/83/591931583.db2.gz SRJJBBZUIGSKNF-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@H]1CNCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000884430538 591932129 /nfs/dbraw/zinc/93/21/29/591932129.db2.gz SRJJBBZUIGSKNF-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884431363 591932434 /nfs/dbraw/zinc/93/24/34/591932434.db2.gz RUDZJHCHNIAUJL-QWRGUYRKSA-N 1 3 237.347 0.515 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884431361 591932744 /nfs/dbraw/zinc/93/27/44/591932744.db2.gz RUDZJHCHNIAUJL-GHMZBOCLSA-N 1 3 237.347 0.515 20 0 BCADHO CC[C@@]1(C(=O)NC[C@@H](C)N(C)C)CCC[NH2+]1 ZINC000215297045 591938062 /nfs/dbraw/zinc/93/80/62/591938062.db2.gz MWEUWSNVIVAGAM-PWSUYJOCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)CC1CC1)C1CC[NH2+]CC1 ZINC000884471801 591944811 /nfs/dbraw/zinc/94/48/11/591944811.db2.gz GQAQZRAUJFYXHT-SKDRFNHKSA-N 1 3 239.363 0.618 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137385350 592176224 /nfs/dbraw/zinc/17/62/24/592176224.db2.gz QLSRZWBUZIGDPX-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828197 592350561 /nfs/dbraw/zinc/35/05/61/592350561.db2.gz ZABDFWCUDOHTHV-YNEHKIRRSA-N 1 3 224.348 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828197 592350567 /nfs/dbraw/zinc/35/05/67/592350567.db2.gz ZABDFWCUDOHTHV-YNEHKIRRSA-N 1 3 224.348 0.954 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@H]2C[C@@]23CCOC3)C1 ZINC000886828197 592350572 /nfs/dbraw/zinc/35/05/72/592350572.db2.gz ZABDFWCUDOHTHV-YNEHKIRRSA-N 1 3 224.348 0.954 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857940 592370173 /nfs/dbraw/zinc/37/01/73/592370173.db2.gz GLKDOPZHSGGVKC-OUAUKWLOSA-N 1 3 230.377 0.252 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886857940 592370178 /nfs/dbraw/zinc/37/01/78/592370178.db2.gz GLKDOPZHSGGVKC-OUAUKWLOSA-N 1 3 230.377 0.252 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000886857940 592370184 /nfs/dbraw/zinc/37/01/84/592370184.db2.gz GLKDOPZHSGGVKC-OUAUKWLOSA-N 1 3 230.377 0.252 20 0 BCADHO [NH3+]C[C@H]1CCCN1C[C@@H]1C[C@]12CCOC2 ZINC000886881130 592378833 /nfs/dbraw/zinc/37/88/33/592378833.db2.gz RFUKDSNABFUXHK-TUAOUCFPSA-N 1 3 210.321 0.836 20 0 BCADHO CN1CCC[C@H](CNC(=[NH2+])NCC(F)F)C1 ZINC000887354208 592487301 /nfs/dbraw/zinc/48/73/01/592487301.db2.gz UHERWONSQYXOSS-MRVPVSSYSA-N 1 3 234.294 0.707 20 0 BCADHO C[C@H]1CCN(CCNC(=[NH2+])NCC2CC2)C1 ZINC000887354303 592487355 /nfs/dbraw/zinc/48/73/55/592487355.db2.gz YNIXAYIJMUMQLV-JTQLQIEISA-N 1 3 224.352 0.852 20 0 BCADHO Cn1cnc(CCCN[C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925702370 634378486 /nfs/dbraw/zinc/37/84/86/634378486.db2.gz BWGCDQJQPVYGPC-QWRGUYRKSA-N 1 3 249.362 0.607 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000925840772 635505063 /nfs/dbraw/zinc/50/50/63/635505063.db2.gz WWTSYYAZTHOBMA-SRVKXCTJSA-N 1 3 239.363 0.620 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000925888920 635615313 /nfs/dbraw/zinc/61/53/13/635615313.db2.gz HCHGEHSXYVAZRL-JFGNBEQYSA-N 1 3 238.335 0.313 20 0 BCADHO Cn1nccc1CC[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2 ZINC000926174504 631376643 /nfs/dbraw/zinc/37/66/43/631376643.db2.gz SCNNDYUDWUMEPM-ONXXMXGDSA-N 1 3 248.374 0.892 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H](N)CC1CC1 ZINC000308825621 631869819 /nfs/dbraw/zinc/86/98/19/631869819.db2.gz KSDXVATVAHGUON-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO OCC1(NC[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000053069405 632564107 /nfs/dbraw/zinc/56/41/07/632564107.db2.gz PRDJBPBPOPGPRV-GFCCVEGCSA-N 1 3 242.363 0.338 20 0 BCADHO OCC1(NC[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000053069404 632565489 /nfs/dbraw/zinc/56/54/89/632565489.db2.gz PRDJBPBPOPGPRV-LBPRGKRZSA-N 1 3 242.363 0.338 20 0 BCADHO O[C@@H](CNC[C@@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000310552627 632756336 /nfs/dbraw/zinc/75/63/36/632756336.db2.gz VANFEJNNSSRBGM-QWHCGFSZSA-N 1 3 242.363 0.194 20 0 BCADHO CC[C@H](CNC(NC)=[NH+]C)N1CCCC1 ZINC000066245299 632860736 /nfs/dbraw/zinc/86/07/36/632860736.db2.gz YDBBPUHLERJEBO-SNVBAGLBSA-N 1 3 212.341 0.656 20 0 BCADHO C[C@H]1NCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H]1C ZINC000892549528 632959920 /nfs/dbraw/zinc/95/99/20/632959920.db2.gz VOBARFZEAFFASN-DBIOUOCHSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)NC(=O)CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309445448 633079915 /nfs/dbraw/zinc/07/99/15/633079915.db2.gz OYTFPJSODMMYKW-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C)[C@@H]2C)CC[N@@H+]1C ZINC000928431436 635916972 /nfs/dbraw/zinc/91/69/72/635916972.db2.gz NMDAGWNYOKTJLR-KKOKHZNYSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C)[C@@H]2C)CC[N@H+]1C ZINC000928431436 635916976 /nfs/dbraw/zinc/91/69/76/635916976.db2.gz NMDAGWNYOKTJLR-KKOKHZNYSA-N 1 3 239.363 0.535 20 0 BCADHO C[NH+]1CCC(O)(CNCc2ccoc2)CC1 ZINC000309573744 633201635 /nfs/dbraw/zinc/20/16/35/633201635.db2.gz OHXNCWBGJOMFSD-UHFFFAOYSA-N 1 3 224.304 0.826 20 0 BCADHO CO[C@H](CNCC[C@H](C)[NH+](C)C)[C@@H]1CCOC1 ZINC000895291282 636131454 /nfs/dbraw/zinc/13/14/54/636131454.db2.gz AZIJNHLHHDRBFN-YNEHKIRRSA-N 1 3 244.379 0.968 20 0 BCADHO CN1CCC[C@@H]1CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328570403 633778644 /nfs/dbraw/zinc/77/86/44/633778644.db2.gz ROQLVSUIIVTNCU-GMDXDWKASA-N 1 3 235.375 0.667 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1NCCN1CCCC1 ZINC000925509849 633848989 /nfs/dbraw/zinc/84/89/89/633848989.db2.gz RGFIMFQQVBZYBH-LLVKDONJSA-N 1 3 211.353 0.812 20 0 BCADHO C(C1CC1)N1CC[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925557677 634032500 /nfs/dbraw/zinc/03/25/00/634032500.db2.gz PXVRLAMLUDVDEG-CHWSQXEVSA-N 1 3 239.363 0.049 20 0 BCADHO CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734587 634312845 /nfs/dbraw/zinc/31/28/45/634312845.db2.gz PYHLVKBDACWBHE-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)C(N)=O ZINC000925690613 634314832 /nfs/dbraw/zinc/31/48/32/634314832.db2.gz KQHDNDGXDPSNDS-ZACCUICWSA-N 1 3 239.363 0.428 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1cnccn1 ZINC000925692095 634322194 /nfs/dbraw/zinc/32/21/94/634322194.db2.gz POONILSZEZMFDN-ONXXMXGDSA-N 1 3 246.358 0.949 20 0 BCADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1cnccn1 ZINC000925692095 634322198 /nfs/dbraw/zinc/32/21/98/634322198.db2.gz POONILSZEZMFDN-ONXXMXGDSA-N 1 3 246.358 0.949 20 0 BCADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NCCc1cnccn1 ZINC000925692095 634322204 /nfs/dbraw/zinc/32/22/04/634322204.db2.gz POONILSZEZMFDN-ONXXMXGDSA-N 1 3 246.358 0.949 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424033520 635151346 /nfs/dbraw/zinc/15/13/46/635151346.db2.gz YBARDUZEWXAISW-CYBMUJFWSA-N 1 3 239.363 0.683 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424033521 635151982 /nfs/dbraw/zinc/15/19/82/635151982.db2.gz YBARDUZEWXAISW-ZDUSSCGKSA-N 1 3 239.363 0.683 20 0 BCADHO CCOC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000167658092 635385042 /nfs/dbraw/zinc/38/50/42/635385042.db2.gz ZGXHTAFNRKJBLS-QJPTWQEYSA-N 1 3 230.352 0.301 20 0 BCADHO Cc1cc(CCN[C@@H](C)[C@H]2CC[NH2+]C2)nn1C ZINC000925834774 635484074 /nfs/dbraw/zinc/48/40/74/635484074.db2.gz OTBAHELJBNIBBS-RYUDHWBXSA-N 1 3 236.363 0.859 20 0 BCADHO Cc1cc(CCN[C@H](C)[C@@H]2CC[NH2+]C2)nn1C ZINC000925834776 635484498 /nfs/dbraw/zinc/48/44/98/635484498.db2.gz OTBAHELJBNIBBS-VXGBXAGGSA-N 1 3 236.363 0.859 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCc2nnn(C)c2C1 ZINC000925892885 635618372 /nfs/dbraw/zinc/61/83/72/635618372.db2.gz HFFGIBINYQCQLZ-GUBZILKMSA-N 1 3 237.351 0.388 20 0 BCADHO CN1C[C@H]([NH2+]C2[C@@H]3CC[C@H]2CN(C)C3)CC1=O ZINC000924896250 635750793 /nfs/dbraw/zinc/75/07/93/635750793.db2.gz MEAHPONVISONGN-YIVACMHISA-N 1 3 237.347 0.147 20 0 BCADHO CC[NH2+]CCNC(=O)N1CCN(C)CC[C@H]1C ZINC000418316282 636540364 /nfs/dbraw/zinc/54/03/64/636540364.db2.gz JMCZHWQSBHGWJY-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701342 636931639 /nfs/dbraw/zinc/93/16/39/636931639.db2.gz JLUOOWSTFWBSPY-XQQFMLRXSA-N 1 3 224.348 0.855 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866701342 636931643 /nfs/dbraw/zinc/93/16/43/636931643.db2.gz JLUOOWSTFWBSPY-XQQFMLRXSA-N 1 3 224.348 0.855 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)[NH3+])N1CCCCC1 ZINC000040924297 636947385 /nfs/dbraw/zinc/94/73/85/636947385.db2.gz BFGIYXLHJXIRTM-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO COC(=O)[C@]1(F)CCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903463614 637365400 /nfs/dbraw/zinc/36/54/00/637365400.db2.gz GVJXJGMRDPEKEG-SCVCMEIPSA-N 1 3 244.310 0.701 20 0 BCADHO CC(C)C[C@H](N)C[NH2+][C@]1(C)CCNC1=O ZINC000904469277 637422901 /nfs/dbraw/zinc/42/29/01/637422901.db2.gz LANRRQQEUOKYGI-GXSJLCMTSA-N 1 3 213.325 0.228 20 0 BCADHO CC[N@H+](CCC(=O)NC)C[C@@H](N)CC(C)C ZINC000904468420 637423101 /nfs/dbraw/zinc/42/31/01/637423101.db2.gz CFCRHHLCPIMAPW-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC[N@@H+](CCC(=O)NC)C[C@@H](N)CC(C)C ZINC000904468420 637423105 /nfs/dbraw/zinc/42/31/05/637423105.db2.gz CFCRHHLCPIMAPW-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)(C)NCc1cn(CC2C[NH2+]C2)nn1 ZINC000905057971 637591197 /nfs/dbraw/zinc/59/11/97/637591197.db2.gz ANUBTTPSBOIXJZ-UHFFFAOYSA-N 1 3 223.324 0.386 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000906092066 638047891 /nfs/dbraw/zinc/04/78/91/638047891.db2.gz HBHGNFNBJYGIBF-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000906092066 638047900 /nfs/dbraw/zinc/04/79/00/638047900.db2.gz HBHGNFNBJYGIBF-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H](N)CC(C)C)CC[C@H]1[NH3+] ZINC000906091920 638048077 /nfs/dbraw/zinc/04/80/77/638048077.db2.gz PQWOCJKUDJZEPT-QJPTWQEYSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000906092027 638048787 /nfs/dbraw/zinc/04/87/87/638048787.db2.gz SLAVQAYVLWAXJM-OUAUKWLOSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000906097207 638053244 /nfs/dbraw/zinc/05/32/44/638053244.db2.gz MISBGPLCMRCVEX-DMDPSCGWSA-N 1 3 239.363 0.700 20 0 BCADHO COC(=O)C1CCC([NH2+]C2CC(N)C2)CC1 ZINC000906511037 638184665 /nfs/dbraw/zinc/18/46/65/638184665.db2.gz QPNMHQDNWRROQJ-UHFFFAOYSA-N 1 3 226.320 0.798 20 0 BCADHO CN1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC000908350594 638662416 /nfs/dbraw/zinc/66/24/16/638662416.db2.gz ZRBIDHMRCYRRSK-NEPJUHHUSA-N 1 3 249.358 0.245 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)N(C)C ZINC000908414517 638700220 /nfs/dbraw/zinc/70/02/20/638700220.db2.gz QARFTAWPPWQJPS-WOPDTQHZSA-N 1 3 241.379 0.878 20 0 BCADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC000908412760 638700601 /nfs/dbraw/zinc/70/06/01/638700601.db2.gz GPOACHBOPLUQFI-ONGXEEELSA-N 1 3 236.319 0.503 20 0 BCADHO CN1CC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000712558489 711472897 /nfs/dbraw/zinc/47/28/97/711472897.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000712558489 711472899 /nfs/dbraw/zinc/47/28/99/711472899.db2.gz PQRCPAHXDWTULI-RWMBFGLXSA-N 1 3 223.364 0.907 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911628440 639687173 /nfs/dbraw/zinc/68/71/73/639687173.db2.gz NERAPKVTEZKSPF-GFCCVEGCSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911628442 639688117 /nfs/dbraw/zinc/68/81/17/639688117.db2.gz NERAPKVTEZKSPF-LBPRGKRZSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCCC[NH2+]C ZINC000911677807 639719705 /nfs/dbraw/zinc/71/97/05/639719705.db2.gz SVWVXEJVIMRNEO-UWVGGRQHSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692586 639727395 /nfs/dbraw/zinc/72/73/95/639727395.db2.gz TWGDYTMGJIKDGM-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911707607 639759597 /nfs/dbraw/zinc/75/95/97/639759597.db2.gz NYPLADNZZQPHLR-SDDRHHMPSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000911739918 639766937 /nfs/dbraw/zinc/76/69/37/639766937.db2.gz DEPVFLHLDRNPEE-LPEHRKFASA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911813453 639801276 /nfs/dbraw/zinc/80/12/76/639801276.db2.gz MOWUYUNXEJCOKU-IVZWLZJFSA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911813454 639801510 /nfs/dbraw/zinc/80/15/10/639801510.db2.gz MOWUYUNXEJCOKU-LPEHRKFASA-N 1 3 215.341 0.556 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911786353 639803790 /nfs/dbraw/zinc/80/37/90/639803790.db2.gz AIFZQRGEVSZBDF-NWDGAFQWSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911786352 639804358 /nfs/dbraw/zinc/80/43/58/639804358.db2.gz AIFZQRGEVSZBDF-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C[C@H](C)N1 ZINC000911796279 639808828 /nfs/dbraw/zinc/80/88/28/639808828.db2.gz NGMCXLSPOJGLCT-OUAUKWLOSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@@H](C)N1 ZINC000911797012 639819084 /nfs/dbraw/zinc/81/90/84/639819084.db2.gz PVJJVLNFPIHOFJ-UZWSLXQKSA-N 1 3 237.347 0.337 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000911813125 639834075 /nfs/dbraw/zinc/83/40/75/639834075.db2.gz MDOHHBZWUARFKS-VHSXEESVSA-N 1 3 247.408 0.556 20 0 BCADHO CC[C@H](C)C[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911845808 639855253 /nfs/dbraw/zinc/85/52/53/639855253.db2.gz DJUJQZJZIMJDKD-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1C[C@H](C(=O)N2CCNCC2(C)C)CC[NH2+]1 ZINC000911847767 639855847 /nfs/dbraw/zinc/85/58/47/639855847.db2.gz OTQTZTDISCRVDH-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCNCC1(C)C ZINC000911847158 639856757 /nfs/dbraw/zinc/85/67/57/639856757.db2.gz KRKNLVQEIFRTAZ-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO C[NH+](C)[C@@H]1[C@H]2CN(CCCn3ccnc3)C[C@H]21 ZINC000931279073 640132014 /nfs/dbraw/zinc/13/20/14/640132014.db2.gz XJHLTGINPAYNGU-ITGUQSILSA-N 1 3 234.347 0.765 20 0 BCADHO CNC(=O)CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931307871 640144133 /nfs/dbraw/zinc/14/41/33/640144133.db2.gz MNZJTGKDRSVZKO-STQMWFEESA-N 1 3 239.363 0.396 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(CCn3cncn3)C[C@@H]2C1 ZINC000931434229 640204168 /nfs/dbraw/zinc/20/41/68/640204168.db2.gz QTTYCPCTSJWIMJ-NEPJUHHUSA-N 1 3 235.335 0.162 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(CCn3cncn3)C[C@@H]2C1 ZINC000931434229 640204169 /nfs/dbraw/zinc/20/41/69/640204169.db2.gz QTTYCPCTSJWIMJ-NEPJUHHUSA-N 1 3 235.335 0.162 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443440 640208660 /nfs/dbraw/zinc/20/86/60/640208660.db2.gz XTDULUBMCBXQQF-SCVCMEIPSA-N 1 3 248.317 0.886 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@](C)(O)C(F)F)C[C@@H]2C1 ZINC000931443440 640208664 /nfs/dbraw/zinc/20/86/64/640208664.db2.gz XTDULUBMCBXQQF-SCVCMEIPSA-N 1 3 248.317 0.886 20 0 BCADHO CC[NH2+]CC(=O)N[C@H](C)CN1CCCCC1 ZINC000044647542 640445434 /nfs/dbraw/zinc/44/54/34/640445434.db2.gz DRIUZTGAZSWRHR-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000230386664 641049143 /nfs/dbraw/zinc/04/91/43/641049143.db2.gz ZQIQHPYAWWQGBK-GHMZBOCLSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@]1(C(=O)NCCN2CCCC2)CC[NH2+]C1 ZINC000062890625 641106345 /nfs/dbraw/zinc/10/63/45/641106345.db2.gz HSWWDDORUFAUBQ-GFCCVEGCSA-N 1 3 225.336 0.198 20 0 BCADHO Cc1cc(NCC[N@@H+](C)C2CC2)nc(N)n1 ZINC000063248203 641148396 /nfs/dbraw/zinc/14/83/96/641148396.db2.gz IPOZGISOOAVGSX-UHFFFAOYSA-N 1 3 221.308 0.873 20 0 BCADHO Cc1cc(NCC[N@H+](C)C2CC2)nc(N)n1 ZINC000063248203 641148403 /nfs/dbraw/zinc/14/84/03/641148403.db2.gz IPOZGISOOAVGSX-UHFFFAOYSA-N 1 3 221.308 0.873 20 0 BCADHO CN1CCC[C@H](NC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000040673692 641534881 /nfs/dbraw/zinc/53/48/81/641534881.db2.gz PUOAKJFPYKSWLD-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018617439 643003320 /nfs/dbraw/zinc/00/33/20/643003320.db2.gz VCQBMNOFVGHHSZ-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001019383993 643031067 /nfs/dbraw/zinc/03/10/67/643031067.db2.gz RMJFZQFYTMXSOP-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019437215 643032138 /nfs/dbraw/zinc/03/21/38/643032138.db2.gz HYHRWFFYYGJCLD-JTQLQIEISA-N 1 3 236.319 0.551 20 0 BCADHO CCN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976970 643148324 /nfs/dbraw/zinc/14/83/24/643148324.db2.gz UQGNMWQSFJVUDE-PWSUYJOCSA-N 1 3 239.363 0.252 20 0 BCADHO CCN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976970 643148330 /nfs/dbraw/zinc/14/83/30/643148330.db2.gz UQGNMWQSFJVUDE-PWSUYJOCSA-N 1 3 239.363 0.252 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000306113861 643301958 /nfs/dbraw/zinc/30/19/58/643301958.db2.gz XRBNYSRTUXTHNK-GFCCVEGCSA-N 1 3 239.363 0.666 20 0 BCADHO COC(=O)N(CC[NH+](C)C)C1CCN(C)CC1 ZINC000733975339 643484544 /nfs/dbraw/zinc/48/45/44/643484544.db2.gz RLUVVSCHSPUDAK-UHFFFAOYSA-N 1 3 243.351 0.711 20 0 BCADHO CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000313736 643774325 /nfs/dbraw/zinc/77/43/25/643774325.db2.gz TVHXNDNBFWLIPV-SNVBAGLBSA-N 1 3 236.319 0.553 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000086068432 643897909 /nfs/dbraw/zinc/89/79/09/643897909.db2.gz VRFJANZHTJHVPI-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CCOCC[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923279155 644310548 /nfs/dbraw/zinc/31/05/48/644310548.db2.gz GNOQKNNOHPDTHS-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CCOCC[C@H](O)C[N@H+](C)C1CCNCC1 ZINC000923279155 644310552 /nfs/dbraw/zinc/31/05/52/644310552.db2.gz GNOQKNNOHPDTHS-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CCOCC[C@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923279155 644310555 /nfs/dbraw/zinc/31/05/55/644310555.db2.gz GNOQKNNOHPDTHS-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO CC(C)OCC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923281784 644313737 /nfs/dbraw/zinc/31/37/37/644313737.db2.gz PPMAFFYJDWXUHF-NWDGAFQWSA-N 1 3 230.352 0.443 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN ZINC000923282396 644314748 /nfs/dbraw/zinc/31/47/48/644314748.db2.gz VILVTEGKYBAQPA-ZJUUUORDSA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@@H](O)C[N@H+]1CCCC[C@@H]1CN ZINC000923282396 644314755 /nfs/dbraw/zinc/31/47/55/644314755.db2.gz VILVTEGKYBAQPA-ZJUUUORDSA-N 1 3 218.366 0.524 20 0 BCADHO CCOCC[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923290193 644323316 /nfs/dbraw/zinc/32/33/16/644323316.db2.gz VLQBYJXREZPXOM-UPJWGTAASA-N 1 3 244.379 0.833 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288382 644323881 /nfs/dbraw/zinc/32/38/81/644323881.db2.gz JJBRQVLXUPZPDT-GRYCIOLGSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@H](O)CN(C)CCC[NH3+] ZINC000923290675 644327499 /nfs/dbraw/zinc/32/74/99/644327499.db2.gz IZVHTPRNTNAVHU-JTQLQIEISA-N 1 3 204.314 0.055 20 0 BCADHO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H]1CN ZINC000923293037 644330260 /nfs/dbraw/zinc/33/02/60/644330260.db2.gz PDXFMSZNGRKWQO-NWDGAFQWSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)COC[C@H](O)C[N@H+]1CCC[C@H]1CN ZINC000923293037 644330265 /nfs/dbraw/zinc/33/02/65/644330265.db2.gz PDXFMSZNGRKWQO-NWDGAFQWSA-N 1 3 230.352 0.443 20 0 BCADHO CCOC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923295728 644331308 /nfs/dbraw/zinc/33/13/08/644331308.db2.gz FSZJIUBEKFTBFZ-WDEREUQCSA-N 1 3 218.341 0.347 20 0 BCADHO CC(C)[C@@](C)(CN)[NH2+]C[C@H](O)C(F)(F)F ZINC000923295548 644331552 /nfs/dbraw/zinc/33/15/52/644331552.db2.gz CLCMOYONHGEHHT-JGVFFNPUSA-N 1 3 228.258 0.873 20 0 BCADHO CCCCOC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296525 644334248 /nfs/dbraw/zinc/33/42/48/644334248.db2.gz UTKVJRAIYIJQGU-CHWSQXEVSA-N 1 3 244.379 0.881 20 0 BCADHO CCCCOC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296526 644334821 /nfs/dbraw/zinc/33/48/21/644334821.db2.gz UTKVJRAIYIJQGU-OLZOCXBDSA-N 1 3 244.379 0.881 20 0 BCADHO CSC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923298399 644337971 /nfs/dbraw/zinc/33/79/71/644337971.db2.gz BLZMNVNEQKRSTC-UWVGGRQHSA-N 1 3 220.382 0.673 20 0 BCADHO CC(C)[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315653 644344610 /nfs/dbraw/zinc/34/46/10/644344610.db2.gz XJNAVEGKPDITHD-BJDJZHNGSA-N 1 3 244.404 0.910 20 0 BCADHO CCOCCOCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923330422 644349051 /nfs/dbraw/zinc/34/90/51/644349051.db2.gz FDGUIVMZLUIRRA-NEPJUHHUSA-N 1 3 230.352 0.709 20 0 BCADHO CCOCC[C@H](O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000923334675 644357060 /nfs/dbraw/zinc/35/70/60/644357060.db2.gz JCWDTYODXWZRSN-OLZOCXBDSA-N 1 3 244.379 0.848 20 0 BCADHO CC(C)Oc1ccccc1CNC(CN)C[NH3+] ZINC000923350934 644367386 /nfs/dbraw/zinc/36/73/86/644367386.db2.gz CLQLLRXZENVJHZ-UHFFFAOYSA-N 1 3 237.347 0.849 20 0 BCADHO NCC(C[NH3+])NCc1cc(-c2ccccc2)on1 ZINC000923354396 644368735 /nfs/dbraw/zinc/36/87/35/644368735.db2.gz MUSUTYFKUXWUOV-UHFFFAOYSA-N 1 3 246.314 0.717 20 0 BCADHO NCC(C[NH3+])NCc1cc(F)cc2cccnc21 ZINC000923353857 644368958 /nfs/dbraw/zinc/36/89/58/644368958.db2.gz CSWZYJMKHWLCPK-UHFFFAOYSA-N 1 3 248.305 0.750 20 0 BCADHO NCC(C[NH3+])NCc1ncc(-c2ccccc2)o1 ZINC000923352495 644370103 /nfs/dbraw/zinc/37/01/03/644370103.db2.gz WFYSSFNSDYUKIS-UHFFFAOYSA-N 1 3 246.314 0.717 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1ccc(F)cc1F ZINC000923351828 644370497 /nfs/dbraw/zinc/37/04/97/644370497.db2.gz NQNDQXZZTJKLDN-SSDOTTSWSA-N 1 3 229.274 0.901 20 0 BCADHO NCC(CN)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000923356545 644371773 /nfs/dbraw/zinc/37/17/73/644371773.db2.gz MWLIFZMOBVFQGQ-ZIAGYGMSSA-N 1 3 249.358 0.782 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1ncc(C(C)(C)C)o1 ZINC000923354859 644372640 /nfs/dbraw/zinc/37/26/40/644372640.db2.gz WXQRFQRJMPMVMF-MRVPVSSYSA-N 1 3 240.351 0.909 20 0 BCADHO CCc1cccc(CNC(CN)C[NH3+])c1 ZINC000923359144 644373460 /nfs/dbraw/zinc/37/34/60/644373460.db2.gz MRXMJUOAPYFIMO-UHFFFAOYSA-N 1 3 207.321 0.625 20 0 BCADHO NCC(C[NH3+])NCc1csc(C2CC2)n1 ZINC000923359736 644382909 /nfs/dbraw/zinc/38/29/09/644382909.db2.gz TUZJNPNNCSFAMB-UHFFFAOYSA-N 1 3 226.349 0.396 20 0 BCADHO CC(C)OCC[C@H](O)CN(C)C1CC([NH3+])C1 ZINC000923363292 644388928 /nfs/dbraw/zinc/38/89/28/644388928.db2.gz QRSJSHLHMMAINS-MCIGGMRASA-N 1 3 230.352 0.584 20 0 BCADHO CSC[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923374817 644389407 /nfs/dbraw/zinc/38/94/07/644389407.db2.gz CSVRVCCZLCOCCM-OUAUKWLOSA-N 1 3 232.393 0.627 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375672 644390211 /nfs/dbraw/zinc/39/02/11/644390211.db2.gz OYEKNWLFCRZLRS-AGIUHOORSA-N 1 3 244.379 0.691 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000923393520 644401821 /nfs/dbraw/zinc/40/18/21/644401821.db2.gz SAKLEDXKJZRVIT-AGIUHOORSA-N 1 3 244.379 0.974 20 0 BCADHO COC[C@@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413908 644416699 /nfs/dbraw/zinc/41/66/99/644416699.db2.gz JWJJLOUAQSJYCH-SRVKXCTJSA-N 1 3 228.336 0.068 20 0 BCADHO CCOCCOCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923414057 644417447 /nfs/dbraw/zinc/41/74/47/644417447.db2.gz ZIMVQCVORQBXIH-VXGBXAGGSA-N 1 3 230.352 0.566 20 0 BCADHO CCOCC[C@@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923432018 644425497 /nfs/dbraw/zinc/42/54/97/644425497.db2.gz ZSURKMWIXDHLGO-GHMZBOCLSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923432018 644425499 /nfs/dbraw/zinc/42/54/99/644425499.db2.gz ZSURKMWIXDHLGO-GHMZBOCLSA-N 1 3 230.352 0.443 20 0 BCADHO C[C@H]1CC[C@@H](CN2CCNCC[NH2+]CC2)O1 ZINC000923460366 644437677 /nfs/dbraw/zinc/43/76/77/644437677.db2.gz MSFGPUGFOPXOOJ-RYUDHWBXSA-N 1 3 227.352 0.049 20 0 BCADHO FC1(F)CC[C@H](CN2CCNCC[NH2+]CC2)C1 ZINC000923459804 644438382 /nfs/dbraw/zinc/43/83/82/644438382.db2.gz HARUZRNJIZSFQU-NSHDSACASA-N 1 3 247.333 0.917 20 0 BCADHO FC1(F)CC[C@H](C[NH+]2CCNCCNCC2)C1 ZINC000923459804 644438386 /nfs/dbraw/zinc/43/83/86/644438386.db2.gz HARUZRNJIZSFQU-NSHDSACASA-N 1 3 247.333 0.917 20 0 BCADHO C(C[NH+]1CCNCCNCC1)[C@H]1CCCCO1 ZINC000923460759 644446287 /nfs/dbraw/zinc/44/62/87/644446287.db2.gz QQOAWQDBLWXFIT-CYBMUJFWSA-N 1 3 241.379 0.440 20 0 BCADHO C(CN1CCNCC[NH2+]CC1)[C@H]1CCCCO1 ZINC000923460759 644446293 /nfs/dbraw/zinc/44/62/93/644446293.db2.gz QQOAWQDBLWXFIT-CYBMUJFWSA-N 1 3 241.379 0.440 20 0 BCADHO CC(C)CC[C@H](O)CN1CCNCC[NH2+]CC1 ZINC000923461527 644446638 /nfs/dbraw/zinc/44/66/38/644446638.db2.gz YFLWZZYJGHNXGR-ZDUSSCGKSA-N 1 3 243.395 0.278 20 0 BCADHO CC(F)(F)CCCN1CCNCC[NH2+]CC1 ZINC000923460781 644447585 /nfs/dbraw/zinc/44/75/85/644447585.db2.gz QUTJHRLQKNAYCI-UHFFFAOYSA-N 1 3 235.322 0.917 20 0 BCADHO CCCCCNC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923484808 644462258 /nfs/dbraw/zinc/46/22/58/644462258.db2.gz NLOJGAJCCOOHPZ-LBPRGKRZSA-N 1 3 241.379 0.964 20 0 BCADHO CSC[C@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515377 644479009 /nfs/dbraw/zinc/47/90/09/644479009.db2.gz FEPCVXJATMOBHI-HBNTYKKESA-N 1 3 230.377 0.252 20 0 BCADHO CC(C)OC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515570 644480817 /nfs/dbraw/zinc/48/08/17/644480817.db2.gz HIXSFIIFNBQTNU-XQQFMLRXSA-N 1 3 242.363 0.314 20 0 BCADHO [NH3+]CCCN1CCC([C@@H]2COC(=O)N2)CC1 ZINC000923527145 644485085 /nfs/dbraw/zinc/48/50/85/644485085.db2.gz YWXYTCHZGAEGHR-JTQLQIEISA-N 1 3 227.308 0.156 20 0 BCADHO C([C@H]1CNCCO1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534813 644487561 /nfs/dbraw/zinc/48/75/61/644487561.db2.gz XWVQLDBLSYOYBE-OLZOCXBDSA-N 1 3 239.363 0.193 20 0 BCADHO COC[C@@H](O)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093516583 644691244 /nfs/dbraw/zinc/69/12/44/644691244.db2.gz NXMAWUIMMWOHSA-AGIUHOORSA-N 1 3 244.379 0.894 20 0 BCADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCOCCO ZINC000093514072 644693946 /nfs/dbraw/zinc/69/39/46/644693946.db2.gz VLRKYZKPGBKTLP-OLZOCXBDSA-N 1 3 244.379 0.896 20 0 BCADHO CO[C@@H]1CCC[C@H]1NC[C@H](O)C[NH+](C)C ZINC000250350967 644754836 /nfs/dbraw/zinc/75/48/36/644754836.db2.gz JMVWTCCPTRLTHU-HBNTYKKESA-N 1 3 216.325 0.066 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)CC1CC1 ZINC000304319138 644890411 /nfs/dbraw/zinc/89/04/11/644890411.db2.gz FJUDOZLTSLURBV-MWLCHTKSSA-N 1 3 227.352 0.570 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000304334585 644893503 /nfs/dbraw/zinc/89/35/03/644893503.db2.gz ICSFPLKSXOYREI-QWRGUYRKSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000304334585 644893506 /nfs/dbraw/zinc/89/35/06/644893506.db2.gz ICSFPLKSXOYREI-QWRGUYRKSA-N 1 3 225.336 0.182 20 0 BCADHO CCCCCCN(C)CC(=O)N[C@H](C)C[NH3+] ZINC000834521778 645142834 /nfs/dbraw/zinc/14/28/34/645142834.db2.gz SQVCFGHUPQDBQJ-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C ZINC000928428231 645739856 /nfs/dbraw/zinc/73/98/56/645739856.db2.gz VUVVBODZGLHZGS-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C ZINC000928427397 645743391 /nfs/dbraw/zinc/74/33/91/645743391.db2.gz JYPJTXNQMRDZSE-QWRGUYRKSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H](N)C1CCC1)C2 ZINC000877372940 645793120 /nfs/dbraw/zinc/79/31/20/645793120.db2.gz KVFCMZCFZGYFCM-GMXVVIOVSA-N 1 3 237.347 0.182 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CC[C@H]1[NH3+] ZINC000884270017 645871881 /nfs/dbraw/zinc/87/18/81/645871881.db2.gz DVSBOQARJZHLES-IJLUTSLNSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884271581 645872956 /nfs/dbraw/zinc/87/29/56/645872956.db2.gz HDBWQMWTVUTTBL-LSJOCFKGSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884271744 645873031 /nfs/dbraw/zinc/87/30/31/645873031.db2.gz JXOPJEQKLKFCGY-AXFHLTTASA-N 1 3 239.363 0.441 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H]1C ZINC000884271636 645873174 /nfs/dbraw/zinc/87/31/74/645873174.db2.gz IBNOMPCSEREVPX-ATZCPNFKSA-N 1 3 225.336 0.323 20 0 BCADHO COCC(COC)[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637702 646217176 /nfs/dbraw/zinc/21/71/76/646217176.db2.gz MZLKBSNEGIFNSN-NSHDSACASA-N 1 3 230.352 0.531 20 0 BCADHO COCC(COC)[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000929637702 646217180 /nfs/dbraw/zinc/21/71/80/646217180.db2.gz MZLKBSNEGIFNSN-NSHDSACASA-N 1 3 230.352 0.531 20 0 BCADHO CC[C@@H](CO)[NH+]1CCC(N(C)CCCO)CC1 ZINC000929656812 646225251 /nfs/dbraw/zinc/22/52/51/646225251.db2.gz HYWSKSZQBYOMST-LBPRGKRZSA-N 1 3 244.379 0.536 20 0 BCADHO CCCN1CCC([N@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929779283 646309895 /nfs/dbraw/zinc/30/98/95/646309895.db2.gz YNMQEMHKNMIKLM-WCQYABFASA-N 1 3 244.379 0.534 20 0 BCADHO CCCN1CCC([N@@H+](C)C[C@@H](O)[C@H](C)O)CC1 ZINC000929779283 646309896 /nfs/dbraw/zinc/30/98/96/646309896.db2.gz YNMQEMHKNMIKLM-WCQYABFASA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H](CN1CCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925535980 646322581 /nfs/dbraw/zinc/32/25/81/646322581.db2.gz BGMIHEUUWYRKNM-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO CN1CCC[C@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925565738 646331618 /nfs/dbraw/zinc/33/16/18/646331618.db2.gz XKHSXDNVUZCYFI-WDEREUQCSA-N 1 3 211.353 0.811 20 0 BCADHO CCn1cnnc1CC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925575104 646342030 /nfs/dbraw/zinc/34/20/30/646342030.db2.gz UXVBEIMCINECDN-WDEREUQCSA-N 1 3 249.362 0.700 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CCc2n[nH]cc2C1 ZINC000925582219 646347607 /nfs/dbraw/zinc/34/76/07/646347607.db2.gz CYBAHMTYIQSIQS-MVWJERBFSA-N 1 3 234.347 0.997 20 0 BCADHO CCc1nc(CC[NH2+][C@H]2CCCN[C@H]2C)no1 ZINC000925590232 646348553 /nfs/dbraw/zinc/34/85/53/646348553.db2.gz OWKMNXZMPAFHDX-UWVGGRQHSA-N 1 3 238.335 0.905 20 0 BCADHO OCCN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925613608 646362813 /nfs/dbraw/zinc/36/28/13/646362813.db2.gz ZUUQLHDECIOAJN-RYUDHWBXSA-N 1 3 212.337 0.737 20 0 BCADHO OCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925613608 646362819 /nfs/dbraw/zinc/36/28/19/646362819.db2.gz ZUUQLHDECIOAJN-RYUDHWBXSA-N 1 3 212.337 0.737 20 0 BCADHO C[C@H](CN[C@H]1C[NH2+]CCOC1)N1CCCCC1 ZINC000925613870 646363069 /nfs/dbraw/zinc/36/30/69/646363069.db2.gz UFXXNAYYLHYWOQ-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925622847 646369230 /nfs/dbraw/zinc/36/92/30/646369230.db2.gz NHVIDTQAYBIAKH-OUAUKWLOSA-N 1 3 212.337 0.863 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686352 646413276 /nfs/dbraw/zinc/41/32/76/646413276.db2.gz UNXGRQFNXGKKBG-UKKRHICBSA-N 1 3 225.336 0.371 20 0 BCADHO FC1(F)CCNC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925713956 646438854 /nfs/dbraw/zinc/43/88/54/646438854.db2.gz ZMDYMNNVBGLJRK-NXEZZACHSA-N 1 3 245.317 0.858 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](N)C23CCC3)C1 ZINC000925719985 646443782 /nfs/dbraw/zinc/44/37/82/646443782.db2.gz CCTHBUCJGSAIHR-WOPDTQHZSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCN1C ZINC000925719108 646444190 /nfs/dbraw/zinc/44/41/90/646444190.db2.gz OIMJNYSNROIZNQ-WOPDTQHZSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H](N[C@H](CO)C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000925769249 646471172 /nfs/dbraw/zinc/47/11/72/646471172.db2.gz ZZGFMQSELQAUNS-ZDEQEGDKSA-N 1 3 242.363 0.504 20 0 BCADHO Nc1ccnc(CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000925768779 646471362 /nfs/dbraw/zinc/47/13/62/646471362.db2.gz XCPCDNLSNCUPPJ-XXINRUCKSA-N 1 3 244.342 0.750 20 0 BCADHO C[C@H](N[C@H](CO)C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000925769247 646471657 /nfs/dbraw/zinc/47/16/57/646471657.db2.gz ZZGFMQSELQAUNS-QNWHQSFQSA-N 1 3 242.363 0.504 20 0 BCADHO NC(=O)CC1CC(N[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925825337 646497824 /nfs/dbraw/zinc/49/78/24/646497824.db2.gz ZDOGBUFMRVXGAM-KIDURHIOSA-N 1 3 239.363 0.890 20 0 BCADHO Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2CN)nn1C ZINC000925834274 646502424 /nfs/dbraw/zinc/50/24/24/646502424.db2.gz MEWHRCKZTYPZPR-DGCLKSJQSA-N 1 3 236.363 0.988 20 0 BCADHO Cc1cc(CCN[C@@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000925834274 646502427 /nfs/dbraw/zinc/50/24/27/646502427.db2.gz MEWHRCKZTYPZPR-DGCLKSJQSA-N 1 3 236.363 0.988 20 0 BCADHO Cc1cc(CC[NH2+][C@H]2CCC[C@@H]2CN)nn1C ZINC000925834276 646503514 /nfs/dbraw/zinc/50/35/14/646503514.db2.gz MEWHRCKZTYPZPR-YPMHNXCESA-N 1 3 236.363 0.988 20 0 BCADHO Cc1cc(CCN[C@H]2CCC[C@@H]2C[NH3+])nn1C ZINC000925834276 646503515 /nfs/dbraw/zinc/50/35/15/646503515.db2.gz MEWHRCKZTYPZPR-YPMHNXCESA-N 1 3 236.363 0.988 20 0 BCADHO C(CO[C@H]1CCOC1)N[C@H]1CCC[NH2+]CC1 ZINC000925876166 646525806 /nfs/dbraw/zinc/52/58/06/646525806.db2.gz XYMDWJRFCXNSLY-RYUDHWBXSA-N 1 3 228.336 0.524 20 0 BCADHO [NH3+][C@@H]1C[C@@H](NCCO[C@H]2CCOC2)C12CCC2 ZINC000925876161 646525821 /nfs/dbraw/zinc/52/58/21/646525821.db2.gz XXTVAJGNHQOCNC-QJPTWQEYSA-N 1 3 240.347 0.651 20 0 BCADHO C(CO[C@@H]1CCOC1)N[C@@H]1CCC[NH2+]CC1 ZINC000925876167 646526623 /nfs/dbraw/zinc/52/66/23/646526623.db2.gz XYMDWJRFCXNSLY-VXGBXAGGSA-N 1 3 228.336 0.524 20 0 BCADHO C[C@@H]1C[C@@H](NCCO[C@@H]2CCOC2)CC[N@@H+]1C ZINC000724934679 711631007 /nfs/dbraw/zinc/63/10/07/711631007.db2.gz DPFRHHFHQNJYLL-FRRDWIJNSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H]1C[C@@H](NCCO[C@@H]2CCOC2)CC[N@H+]1C ZINC000724934679 711631008 /nfs/dbraw/zinc/63/10/08/711631008.db2.gz DPFRHHFHQNJYLL-FRRDWIJNSA-N 1 3 242.363 0.864 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@H](N)CC2CC2)CC1 ZINC000379760511 711791511 /nfs/dbraw/zinc/79/15/11/711791511.db2.gz DFOONYUXQFBKIN-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@H]1CC1(C)C)C1CC1 ZINC000379900372 711905347 /nfs/dbraw/zinc/90/53/47/711905347.db2.gz FGOUWUVTMWADKK-MNOVXSKESA-N 1 3 212.337 0.830 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@H]1CC1(C)C)C1CC1 ZINC000379900372 711905351 /nfs/dbraw/zinc/90/53/51/711905351.db2.gz FGOUWUVTMWADKK-MNOVXSKESA-N 1 3 212.337 0.830 20 0 BCADHO CCO[C@H]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000701782113 712028668 /nfs/dbraw/zinc/02/86/68/712028668.db2.gz IPTQQFCCTWFNNX-WOPDTQHZSA-N 1 3 212.337 0.953 20 0 BCADHO CCN1CCC[C@@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703500496 712077384 /nfs/dbraw/zinc/07/73/84/712077384.db2.gz CMCRPYCHMOTGMG-VQXHTEKXSA-N 1 3 225.336 0.324 20 0 BCADHO COCC(COC)[N@@H+]1CCCCC[C@@H](N)C1 ZINC000709055666 712207122 /nfs/dbraw/zinc/20/71/22/712207122.db2.gz IZUSTBOUZIITNW-LLVKDONJSA-N 1 3 230.352 0.851 20 0 BCADHO COCC(COC)[N@H+]1CCCCC[C@@H](N)C1 ZINC000709055666 712207124 /nfs/dbraw/zinc/20/71/24/712207124.db2.gz IZUSTBOUZIITNW-LLVKDONJSA-N 1 3 230.352 0.851 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1CCN(C)C1)[NH2+]2 ZINC000709430411 712221848 /nfs/dbraw/zinc/22/18/48/712221848.db2.gz AJSODDFUPLXUCR-KSSYENDESA-N 1 3 223.364 0.809 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710871628 712260583 /nfs/dbraw/zinc/26/05/83/712260583.db2.gz UYDDPGNVGBUFLM-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CCn1nnc(C)c1CN1CC[C@H](CC[NH3+])C1 ZINC000923479516 712334332 /nfs/dbraw/zinc/33/43/32/712334332.db2.gz QRPONVQCTNANSP-NSHDSACASA-N 1 3 237.351 0.777 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000714244295 712480204 /nfs/dbraw/zinc/48/02/04/712480204.db2.gz FVVOJEUTEDBZFF-DBIOUOCHSA-N 1 3 246.376 0.279 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NCCN1CCCC1 ZINC000037481418 712648356 /nfs/dbraw/zinc/64/83/56/712648356.db2.gz JRAXMJFRLKYXLN-GFCCVEGCSA-N 1 3 227.352 0.716 20 0 BCADHO N[C@@H](CC(F)F)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163949 712750669 /nfs/dbraw/zinc/75/06/69/712750669.db2.gz VVKAAKFUXZQFJL-YIZRAAEISA-N 1 3 220.263 0.547 20 0 BCADHO N[C@@H](CC(F)F)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163949 712750670 /nfs/dbraw/zinc/75/06/70/712750670.db2.gz VVKAAKFUXZQFJL-YIZRAAEISA-N 1 3 220.263 0.547 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@H]1CC12CCC2)C1CC1 ZINC000721177684 712896088 /nfs/dbraw/zinc/89/60/88/712896088.db2.gz QREUPINESHDQQR-NEPJUHHUSA-N 1 3 224.348 0.974 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@H]1CC12CCC2)C1CC1 ZINC000721177684 712896091 /nfs/dbraw/zinc/89/60/91/712896091.db2.gz QREUPINESHDQQR-NEPJUHHUSA-N 1 3 224.348 0.974 20 0 BCADHO CO[C@H]1COCC[C@@H]1N(C)CCC[NH3+] ZINC000381839917 710733025 /nfs/dbraw/zinc/73/30/25/710733025.db2.gz STZOPVOZNICFCO-UWVGGRQHSA-N 1 3 202.298 0.071 20 0 BCADHO [NH3+]CCCCCCN1CCN2C(=O)NC[C@@H]2C1 ZINC000383916738 710986073 /nfs/dbraw/zinc/98/60/73/710986073.db2.gz QCKVSUZLMGKOCW-LLVKDONJSA-N 1 3 240.351 0.215 20 0 BCADHO [NH3+]CCCCCCN1CCN2C(=O)NC[C@H]2C1 ZINC000383916759 710986594 /nfs/dbraw/zinc/98/65/94/710986594.db2.gz QCKVSUZLMGKOCW-NSHDSACASA-N 1 3 240.351 0.215 20 0 BCADHO COCC(COC)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000384910208 710999979 /nfs/dbraw/zinc/99/99/79/710999979.db2.gz DEEOMFLBUPLJHR-UWVGGRQHSA-N 1 3 216.325 0.317 20 0 BCADHO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)C(C)(C)C)C[C@H]21 ZINC000385107515 711006068 /nfs/dbraw/zinc/00/60/68/711006068.db2.gz IPACCNHLIVBTLG-WHOHXGKFSA-N 1 3 226.364 0.885 20 0 BCADHO C[C@H](N[C@H]1CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386183632 711024424 /nfs/dbraw/zinc/02/44/24/711024424.db2.gz YMMVWWHRWSOOEM-SRVKXCTJSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H](N[C@@H]1CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000386183634 711024763 /nfs/dbraw/zinc/02/47/63/711024763.db2.gz YMMVWWHRWSOOEM-TUAOUCFPSA-N 1 3 211.353 0.811 20 0 BCADHO CC[NH2+]CC(=O)NCCN(C)Cc1ccccc1 ZINC000386751795 711035989 /nfs/dbraw/zinc/03/59/89/711035989.db2.gz GSCMIZXDAACUTM-UHFFFAOYSA-N 1 3 249.358 0.844 20 0 BCADHO C(N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1CCOCC1 ZINC000392787908 711151455 /nfs/dbraw/zinc/15/14/55/711151455.db2.gz BIFGFYJJPZYMQH-MEBFFEOJSA-N 1 3 236.359 0.999 20 0 BCADHO C(CN1CCCC1)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392848772 711153287 /nfs/dbraw/zinc/15/32/87/711153287.db2.gz BZIHOCVZQZJSQI-MEBFFEOJSA-N 1 3 235.375 0.668 20 0 BCADHO C(CN1CCCC1)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392848774 711153941 /nfs/dbraw/zinc/15/39/41/711153941.db2.gz BZIHOCVZQZJSQI-QSLWVIQJSA-N 1 3 235.375 0.668 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCC(C(N)=O)CC1 ZINC000396580112 711357332 /nfs/dbraw/zinc/35/73/32/711357332.db2.gz FAUQZFIVOIJVGK-XKGSQUFQSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H](CCO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396591283 711357552 /nfs/dbraw/zinc/35/75/52/711357552.db2.gz TZNWWCNRHAXCTD-GMTAPVOTSA-N 1 3 200.326 0.735 20 0 BCADHO COC[C@H](CN1CC[C@H]([NH3+])C1)C(C)C ZINC000721963824 710695657 /nfs/dbraw/zinc/69/56/57/710695657.db2.gz LVZUVYDBLURWEX-QWRGUYRKSA-N 1 3 200.326 0.938 20 0 BCADHO C[C@@H]1COCC[C@@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000383035315 710841430 /nfs/dbraw/zinc/84/14/30/710841430.db2.gz FMKRPXVAQZEKKN-LZRJYULZSA-N 1 3 236.359 0.997 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000383635705 710984513 /nfs/dbraw/zinc/98/45/13/710984513.db2.gz YCXUBYRMPXAIMJ-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000383635705 710984518 /nfs/dbraw/zinc/98/45/18/710984518.db2.gz YCXUBYRMPXAIMJ-VXGBXAGGSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@H](CO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396640782 711363138 /nfs/dbraw/zinc/36/31/38/711363138.db2.gz MQFSVGSWNSDXPU-SDDRHHMPSA-N 1 3 214.353 0.981 20 0 BCADHO CNC(=O)CCCN[C@H]1CCC[NH2+][C@@H]1C ZINC000398310752 711407806 /nfs/dbraw/zinc/40/78/06/711407806.db2.gz LBHPFQZHILSKLH-ZJUUUORDSA-N 1 3 213.325 0.243 20 0 BCADHO CN1C[C@H](CC[NH2+][C@H]2CCC[C@H]2CN)CC1=O ZINC000723548250 711516158 /nfs/dbraw/zinc/51/61/58/711516158.db2.gz SJAKMQCNUHHOIU-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO CCOC(=O)[C@@H](CC)N1CC[C@@H](CC[NH3+])C1 ZINC000723713672 711535660 /nfs/dbraw/zinc/53/56/60/711535660.db2.gz XGUVZBBMJRHKJE-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO Cc1cn(C)nc1CN1CC[C@@H](CC[NH3+])C1 ZINC000724001345 711554088 /nfs/dbraw/zinc/55/40/88/711554088.db2.gz LWDIILIHWFCFFO-LLVKDONJSA-N 1 3 222.336 0.899 20 0 BCADHO [NH3+]C[C@@H]1CCCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724562482 711592447 /nfs/dbraw/zinc/59/24/47/711592447.db2.gz GYAKILAVYQDLAT-RNJOBUHISA-N 1 3 240.347 0.461 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000724562129 711592619 /nfs/dbraw/zinc/59/26/19/711592619.db2.gz FXZOGYNXHQNRFT-FPYNETTCSA-N 1 3 240.347 0.459 20 0 BCADHO CCN1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000722355746 711745317 /nfs/dbraw/zinc/74/53/17/711745317.db2.gz GUAOCEQILQZCIK-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCOC[C@@H](C)C1 ZINC000399283997 711746864 /nfs/dbraw/zinc/74/68/64/711746864.db2.gz VEVHMPKUFPNHPS-TUAOUCFPSA-N 1 3 212.337 0.810 20 0 BCADHO CC[C@@H](CN1CCOCC1)NC1CC[NH2+]CC1 ZINC000925821447 711756346 /nfs/dbraw/zinc/75/63/46/711756346.db2.gz JGUSXGJHYDGQOO-LBPRGKRZSA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)[C@@H]1CCCCN1 ZINC000925875599 711761604 /nfs/dbraw/zinc/76/16/04/711761604.db2.gz VDAWFQCAPFRWDJ-UPJWGTAASA-N 1 3 242.363 0.912 20 0 BCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCC2CC2)C1 ZINC000160065245 711805626 /nfs/dbraw/zinc/80/56/26/711805626.db2.gz OKSQREZFAICOET-LLVKDONJSA-N 1 3 225.336 0.183 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)C(C)(C)C ZINC000151389698 711822694 /nfs/dbraw/zinc/82/26/94/711822694.db2.gz UNDHMOHKBMWLOW-MRVPVSSYSA-N 1 3 201.314 0.086 20 0 BCADHO CCOC[C@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227736627 711832747 /nfs/dbraw/zinc/83/27/47/711832747.db2.gz GPMVTTRRCKMRML-VXGBXAGGSA-N 1 3 232.368 0.689 20 0 BCADHO C[N@@H+]1C[C@@H]2CN(CCCCO)C[C@]2(C)C1 ZINC000702267983 711868820 /nfs/dbraw/zinc/86/88/20/711868820.db2.gz CVQNNKPBPWEWKN-NEPJUHHUSA-N 1 3 212.337 0.642 20 0 BCADHO C[N@H+]1C[C@@H]2CN(CCCCO)C[C@]2(C)C1 ZINC000702267983 711868821 /nfs/dbraw/zinc/86/88/21/711868821.db2.gz CVQNNKPBPWEWKN-NEPJUHHUSA-N 1 3 212.337 0.642 20 0 BCADHO CO[C@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000721917931 711919644 /nfs/dbraw/zinc/91/96/44/711919644.db2.gz CLLOSTVPNDJUET-HUVAQWKNSA-N 1 3 210.321 0.563 20 0 BCADHO CO[C@H]1C[C@@H](C[NH+]2CCC(NCCO)CC2)C1 ZINC000721957161 711948427 /nfs/dbraw/zinc/94/84/27/711948427.db2.gz UGUPKWXHNDCDDG-BJHJDKERSA-N 1 3 242.363 0.458 20 0 BCADHO CNC(=O)CCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000700236691 711988536 /nfs/dbraw/zinc/98/85/36/711988536.db2.gz GWYNSZYDYOPNAO-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO [NH3+][C@@H]1C[C@H](NCCOCCF)C12CCC2 ZINC000702654687 712058419 /nfs/dbraw/zinc/05/84/19/712058419.db2.gz QBXAQOBNAYBNSL-ZJUUUORDSA-N 1 3 216.300 0.832 20 0 BCADHO COC[C@H](C)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703595260 712080778 /nfs/dbraw/zinc/08/07/78/712080778.db2.gz WFHLDGFZSUFBQJ-GRYCIOLGSA-N 1 3 212.337 0.810 20 0 BCADHO CCOC[C@@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000705851072 712137748 /nfs/dbraw/zinc/13/77/48/712137748.db2.gz BEZSWZYKSZIZNI-AGIUHOORSA-N 1 3 242.363 0.851 20 0 BCADHO C[N@H+](C[C@H](O)CN)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695612 712215999 /nfs/dbraw/zinc/21/59/99/712215999.db2.gz GNRCNHFSSXZJLZ-GHMZBOCLSA-N 1 3 244.379 0.832 20 0 BCADHO C[N@@H+](C[C@H](O)CN)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695612 712216000 /nfs/dbraw/zinc/21/60/00/712216000.db2.gz GNRCNHFSSXZJLZ-GHMZBOCLSA-N 1 3 244.379 0.832 20 0 BCADHO CC1(C)C[NH2+]C[C@H]1C(=O)NCCN1CCCC1 ZINC000711310279 712293745 /nfs/dbraw/zinc/29/37/45/712293745.db2.gz JFARTENCRRMBLZ-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@H+](CCn2cnnn2)[C@@H]1C ZINC000712613151 712438032 /nfs/dbraw/zinc/43/80/32/712438032.db2.gz ACBCTHYVRXAICJ-MXWKQRLJSA-N 1 3 238.339 0.121 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCn2cnnn2)[C@@H]1C ZINC000712613151 712438033 /nfs/dbraw/zinc/43/80/33/712438033.db2.gz ACBCTHYVRXAICJ-MXWKQRLJSA-N 1 3 238.339 0.121 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@H+](CCn2cnnn2)[C@H]1C ZINC000712613156 712438213 /nfs/dbraw/zinc/43/82/13/712438213.db2.gz ACBCTHYVRXAICJ-OUAUKWLOSA-N 1 3 238.339 0.121 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@@H+](CCn2cnnn2)[C@H]1C ZINC000712613156 712438214 /nfs/dbraw/zinc/43/82/14/712438214.db2.gz ACBCTHYVRXAICJ-OUAUKWLOSA-N 1 3 238.339 0.121 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712632407 712439062 /nfs/dbraw/zinc/43/90/62/712439062.db2.gz LPFGHJHTVOFIIO-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CO[C@H]1C[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000714729416 712496741 /nfs/dbraw/zinc/49/67/41/712496741.db2.gz GJXSTCCYDKYBBZ-CLSQCYNNSA-N 1 3 236.359 0.997 20 0 BCADHO CO[C@H]1C[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000714729422 712496907 /nfs/dbraw/zinc/49/69/07/712496907.db2.gz GJXSTCCYDKYBBZ-YDQFZURESA-N 1 3 236.359 0.997 20 0 BCADHO COC[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715010021 712504324 /nfs/dbraw/zinc/50/43/24/712504324.db2.gz JWJJLOUAQSJYCH-IJLUTSLNSA-N 1 3 228.336 0.068 20 0 BCADHO C1C[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CN1 ZINC000715731313 712531265 /nfs/dbraw/zinc/53/12/65/712531265.db2.gz KMNBMNCKLBDFRD-LLVKDONJSA-N 1 3 226.320 0.624 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)CC1CC1 ZINC000379910697 712624597 /nfs/dbraw/zinc/62/45/97/712624597.db2.gz MNFNGTZKMNPEEW-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884254363 712644619 /nfs/dbraw/zinc/64/46/19/712644619.db2.gz JWZVRBKQGDHIQX-MIMYLULJSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000380144404 712699190 /nfs/dbraw/zinc/69/91/90/712699190.db2.gz WKXYSXIHSDOCQF-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@H+]1CCC[C@@H]1C ZINC000380144404 712699192 /nfs/dbraw/zinc/69/91/92/712699192.db2.gz WKXYSXIHSDOCQF-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+]C[C@@H]1CCN(CCc2cccnc2)C1 ZINC000037718548 712750009 /nfs/dbraw/zinc/75/00/09/712750009.db2.gz ZUOKONJYIWGUFJ-LBPRGKRZSA-N 1 3 205.305 0.905 20 0 BCADHO O[C@@H](CN1C[C@@H]2COC[C@@H]2C1)C[NH+]1CCCC1 ZINC000718319134 712754893 /nfs/dbraw/zinc/75/48/93/712754893.db2.gz NKISZPANAJZUSO-FRRDWIJNSA-N 1 3 240.347 0.021 20 0 BCADHO O=C1CN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1 ZINC000719252799 712801445 /nfs/dbraw/zinc/80/14/45/712801445.db2.gz LTNBJVLVSPTJRJ-YOGCLGLASA-N 1 3 237.347 0.339 20 0 BCADHO CCNC(=O)CN(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719248405 712801485 /nfs/dbraw/zinc/80/14/85/712801485.db2.gz AKGBRKGHEGSMOG-YOGCLGLASA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890773 712875006 /nfs/dbraw/zinc/87/50/06/712875006.db2.gz UEEVYSPVVMPREQ-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903775 712875149 /nfs/dbraw/zinc/87/51/49/712875149.db2.gz VVXRJURUSZHLFI-IJLUTSLNSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH2+]1 ZINC000720903820 712875247 /nfs/dbraw/zinc/87/52/47/712875247.db2.gz VVXRJURUSZHLFI-TUAOUCFPSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000720901581 712876158 /nfs/dbraw/zinc/87/61/58/712876158.db2.gz SKBYMJGOXKRRLJ-RWMBFGLXSA-N 1 3 249.358 0.729 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@H]1CC12CCC2)C1CC1 ZINC000721177686 712896377 /nfs/dbraw/zinc/89/63/77/712896377.db2.gz QREUPINESHDQQR-RYUDHWBXSA-N 1 3 224.348 0.974 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@H]1CC12CCC2)C1CC1 ZINC000721177686 712896379 /nfs/dbraw/zinc/89/63/79/712896379.db2.gz QREUPINESHDQQR-RYUDHWBXSA-N 1 3 224.348 0.974 20 0 BCADHO C[NH+](C)CC1CCN(c2cc(CN)ncn2)CC1 ZINC000310988559 721944398 /nfs/dbraw/zinc/94/43/98/721944398.db2.gz ZIKWSIDGMZJOBI-UHFFFAOYSA-N 1 3 249.362 0.713 20 0 BCADHO CC[NH2+]CCNC(=O)N(CCN(C)C)C(C)C ZINC000418330822 192025246 /nfs/dbraw/zinc/02/52/46/192025246.db2.gz WRNISQPFXFGYEQ-UHFFFAOYSA-N 1 3 244.383 0.578 20 0 BCADHO C[C@H](CNCCC(N)=O)C[NH+]1CCCC1 ZINC000062071158 349437563 /nfs/dbraw/zinc/43/75/63/349437563.db2.gz GVZZBZTZTQRLCU-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO C[C@H](C[NH2+]CCC(N)=O)CN1CCCC1 ZINC000062071158 349437565 /nfs/dbraw/zinc/43/75/65/349437565.db2.gz GVZZBZTZTQRLCU-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000378696265 346809237 /nfs/dbraw/zinc/80/92/37/346809237.db2.gz LDBUDDWPYKSNOU-WPRPVWTQSA-N 1 3 213.325 0.228 20 0 BCADHO O=C(N[C@H]1CCN(CC2CC2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649322656 398144681 /nfs/dbraw/zinc/14/46/81/398144681.db2.gz CTSBPLBCNJVZFY-WUHRBBMRSA-N 1 3 249.358 0.052 20 0 BCADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224355959 398147034 /nfs/dbraw/zinc/14/70/34/398147034.db2.gz VNIVRVVQKYSUAU-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(N)=O ZINC000224355959 398147037 /nfs/dbraw/zinc/14/70/37/398147037.db2.gz VNIVRVVQKYSUAU-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+]CCCN1CCC[C@H]1CN1CCOCC1 ZINC000257762725 349483551 /nfs/dbraw/zinc/48/35/51/349483551.db2.gz YCYROSSTPFZNEZ-LBPRGKRZSA-N 1 3 227.352 0.132 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(N)=O)C1 ZINC000257785229 349483728 /nfs/dbraw/zinc/48/37/28/349483728.db2.gz VWAAZQCHHRAVLR-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNCCC(N)=O)C1 ZINC000257785229 349483731 /nfs/dbraw/zinc/48/37/31/349483731.db2.gz VWAAZQCHHRAVLR-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)N1CCC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000257785229 349483734 /nfs/dbraw/zinc/48/37/34/349483734.db2.gz VWAAZQCHHRAVLR-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000649342229 398159030 /nfs/dbraw/zinc/15/90/30/398159030.db2.gz VEAFVWBFRIOJGL-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000649335440 398151132 /nfs/dbraw/zinc/15/11/32/398151132.db2.gz ZZWRRBOCGJYROQ-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000379591082 398155715 /nfs/dbraw/zinc/15/57/15/398155715.db2.gz WEWVHXPGWGHNSM-NSHDSACASA-N 1 3 222.336 0.930 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NCCc1cn[nH]c1 ZINC000379591082 398155721 /nfs/dbraw/zinc/15/57/21/398155721.db2.gz WEWVHXPGWGHNSM-NSHDSACASA-N 1 3 222.336 0.930 20 0 BCADHO CN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905781 398157176 /nfs/dbraw/zinc/15/71/76/398157176.db2.gz SSSUEBBAQWXLEM-HNGCFSAESA-N 1 3 223.364 0.953 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000649341580 398157535 /nfs/dbraw/zinc/15/75/35/398157535.db2.gz JCRKRQYFNAMQNL-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000649340930 398157784 /nfs/dbraw/zinc/15/77/84/398157784.db2.gz AXKMUMQEDFZDRL-QJPTWQEYSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000649341574 398158110 /nfs/dbraw/zinc/15/81/10/398158110.db2.gz INNNRDHAYAPGRS-MNOVXSKESA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000366493851 398167772 /nfs/dbraw/zinc/16/77/72/398167772.db2.gz BDPVJKYQXLQYDU-GARJFASQSA-N 1 3 225.336 0.324 20 0 BCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CNC1CC1 ZINC000258639420 349515686 /nfs/dbraw/zinc/51/56/86/349515686.db2.gz DZJDRTFAIFKOER-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CNC1CC1 ZINC000258639420 349515690 /nfs/dbraw/zinc/51/56/90/349515690.db2.gz DZJDRTFAIFKOER-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH3+] ZINC000649359846 398171910 /nfs/dbraw/zinc/17/19/10/398171910.db2.gz FPZNKMCNEUWCFK-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348466 398162340 /nfs/dbraw/zinc/16/23/40/398162340.db2.gz LRDKJXYBIUMOGJ-BQSNPHCVSA-N 1 3 249.358 0.051 20 0 BCADHO Cc1cc(N2CCCN(CCO)CC2)cc[nH+]1 ZINC000163000452 178114586 /nfs/dbraw/zinc/11/45/86/178114586.db2.gz AKLFCWZYAIMDGT-UHFFFAOYSA-N 1 3 235.331 0.894 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649374985 398187006 /nfs/dbraw/zinc/18/70/06/398187006.db2.gz BSNWJPIVQJISCO-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000649374998 398187040 /nfs/dbraw/zinc/18/70/40/398187040.db2.gz DGZCAARHLZSFOH-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CNCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000083884172 398187877 /nfs/dbraw/zinc/18/78/77/398187877.db2.gz NABLCDOVGLSGKK-NSHDSACASA-N 1 3 225.336 0.293 20 0 BCADHO C[C@@]1(CNC[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000397246259 398190076 /nfs/dbraw/zinc/19/00/76/398190076.db2.gz ULNKHCDNDAEOHE-STQMWFEESA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N(C)CCN(C)C ZINC000418354238 192027176 /nfs/dbraw/zinc/02/71/76/192027176.db2.gz DUCAAKNRASQUJS-JTQLQIEISA-N 1 3 230.356 0.045 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C[C@H](C)O)C(C)C ZINC000576237578 365532136 /nfs/dbraw/zinc/53/21/36/365532136.db2.gz CJVPJQNPJKQXPZ-NWDGAFQWSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C[C@H](C)O)C(C)C ZINC000576237578 365532144 /nfs/dbraw/zinc/53/21/44/365532144.db2.gz CJVPJQNPJKQXPZ-NWDGAFQWSA-N 1 3 232.368 0.390 20 0 BCADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncnn1C ZINC000647795788 398194440 /nfs/dbraw/zinc/19/44/40/398194440.db2.gz WDNLUYIYVNEHOW-IRCOFANPSA-N 1 3 249.362 0.854 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)N1CCCC1 ZINC000164695435 398202706 /nfs/dbraw/zinc/20/27/06/398202706.db2.gz WVVTYOGFACUQMT-QWRGUYRKSA-N 1 3 239.363 0.442 20 0 BCADHO CCC[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000386436734 398207552 /nfs/dbraw/zinc/20/75/52/398207552.db2.gz MCLCXVVEDZLVMN-TUAOUCFPSA-N 1 3 212.337 0.953 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000576291661 365555315 /nfs/dbraw/zinc/55/53/15/365555315.db2.gz OQNWUJBSVUZESM-QCNOEVLYSA-N 1 3 239.363 0.761 20 0 BCADHO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000576291661 365555320 /nfs/dbraw/zinc/55/53/20/365555320.db2.gz OQNWUJBSVUZESM-QCNOEVLYSA-N 1 3 239.363 0.761 20 0 BCADHO Cc1noc(CCCN2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000576346687 365571518 /nfs/dbraw/zinc/57/15/18/365571518.db2.gz VNBGPJQGKZHYHM-KOLCDFICSA-N 1 3 238.335 0.980 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2CCCCC[NH2+]2)CCN1 ZINC000576373591 365580315 /nfs/dbraw/zinc/58/03/15/365580315.db2.gz DNHIKGMJMIHBLV-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO Cn1cc(C[C@H]2CCN(C[C@H]3CC[NH2+]C3)C2)cn1 ZINC000649414150 398212978 /nfs/dbraw/zinc/21/29/78/398212978.db2.gz JKISRRYTHTXFHG-OLZOCXBDSA-N 1 3 248.374 0.894 20 0 BCADHO Cn1cc(C[C@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)cn1 ZINC000649414149 398212988 /nfs/dbraw/zinc/21/29/88/398212988.db2.gz JKISRRYTHTXFHG-CHWSQXEVSA-N 1 3 248.374 0.894 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCCN1CCOCC1 ZINC000430564829 398227558 /nfs/dbraw/zinc/22/75/58/398227558.db2.gz CPNJLBPVWUUSMM-ZDUSSCGKSA-N 1 3 243.395 0.672 20 0 BCADHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000092630016 398235872 /nfs/dbraw/zinc/23/58/72/398235872.db2.gz KGMQEKAFIZDBLW-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CC(=O)NCC(C)(C)[NH+](C)C)C1CCC1 ZINC000629945489 361791211 /nfs/dbraw/zinc/79/12/11/361791211.db2.gz DPAWRTOZXIDHGA-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CCC(CC)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000308932920 168361401 /nfs/dbraw/zinc/36/14/01/168361401.db2.gz MWRHCDZMOGWOPD-GHMZBOCLSA-N 1 3 200.326 0.593 20 0 BCADHO CCC(CC)C[NH2+]C[C@@H]1CNC[C@H]1O ZINC000308932920 168361402 /nfs/dbraw/zinc/36/14/02/168361402.db2.gz MWRHCDZMOGWOPD-GHMZBOCLSA-N 1 3 200.326 0.593 20 0 BCADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@H]1CCC[NH2+]C1 ZINC000576463486 365602269 /nfs/dbraw/zinc/60/22/69/365602269.db2.gz SBVYTCNIRLKRCC-VWYCJHECSA-N 1 3 239.363 0.631 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000576507388 365611610 /nfs/dbraw/zinc/61/16/10/365611610.db2.gz LKUHBSRBJFVDQE-MNOVXSKESA-N 1 3 239.363 0.775 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000576515216 365615003 /nfs/dbraw/zinc/61/50/03/365615003.db2.gz FJNZKZDQIUKBAF-GMTAPVOTSA-N 1 3 225.336 0.134 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)N(C)CCN(C)C ZINC000418464342 192038063 /nfs/dbraw/zinc/03/80/63/192038063.db2.gz MBLDWBXRDOOSDN-LLVKDONJSA-N 1 3 244.383 0.707 20 0 BCADHO OCCCCN(C[C@H]1CC[NH2+]C1)C1CC1 ZINC000390748355 398247329 /nfs/dbraw/zinc/24/73/29/398247329.db2.gz AXPAGHMQQLHTKY-NSHDSACASA-N 1 3 212.337 0.833 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000323018460 259309440 /nfs/dbraw/zinc/30/94/40/259309440.db2.gz IWHUPDQEDUYTPX-GARJFASQSA-N 1 3 227.352 0.631 20 0 BCADHO OCC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000168835774 538945744 /nfs/dbraw/zinc/94/57/44/538945744.db2.gz JDWOZFITACMYCV-RYUDHWBXSA-N 1 3 224.348 0.975 20 0 BCADHO OCC1(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000168835774 538945746 /nfs/dbraw/zinc/94/57/46/538945746.db2.gz JDWOZFITACMYCV-RYUDHWBXSA-N 1 3 224.348 0.975 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000576701846 365663114 /nfs/dbraw/zinc/66/31/14/365663114.db2.gz FGWRYKKGASPGCW-RKDXNWHRSA-N 1 3 221.304 0.670 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000576705145 365664107 /nfs/dbraw/zinc/66/41/07/365664107.db2.gz RWWVGVVQIZCLHO-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC1CC[NH2+]CC1 ZINC000381483375 398259418 /nfs/dbraw/zinc/25/94/18/398259418.db2.gz UGPZGYMAGPBIBH-LLVKDONJSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(N)C(F)(F)F ZINC000576756647 365671850 /nfs/dbraw/zinc/67/18/50/365671850.db2.gz OHEZHYFZFIBZER-JKUQZMGJSA-N 1 3 227.230 0.118 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(N)C(F)(F)F ZINC000576756650 365672175 /nfs/dbraw/zinc/67/21/75/365672175.db2.gz OHEZHYFZFIBZER-ZLUOBGJFSA-N 1 3 227.230 0.118 20 0 BCADHO COCC1(CN2C[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000381522835 398259923 /nfs/dbraw/zinc/25/99/23/398259923.db2.gz VHEPZTIGUXEJHH-RYUDHWBXSA-N 1 3 224.348 0.954 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)C2(N)CC2)CC1 ZINC000582003799 398270002 /nfs/dbraw/zinc/27/00/02/398270002.db2.gz AHUZDBCPPDJDQV-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129665676 323009143 /nfs/dbraw/zinc/00/91/43/323009143.db2.gz JPVPTDULKZAAKY-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129665676 323009144 /nfs/dbraw/zinc/00/91/44/323009144.db2.gz JPVPTDULKZAAKY-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183335475 346841940 /nfs/dbraw/zinc/84/19/40/346841940.db2.gz NBTBOEDYFPPHEA-VIFPVBQESA-N 1 3 213.325 0.230 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990836 488178481 /nfs/dbraw/zinc/17/84/81/488178481.db2.gz YOZZOPIXQGNBKS-AVGNSLFASA-N 1 3 240.347 0.210 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667990836 488178487 /nfs/dbraw/zinc/17/84/87/488178487.db2.gz YOZZOPIXQGNBKS-AVGNSLFASA-N 1 3 240.347 0.210 20 0 BCADHO CCN[C@@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740879 398278531 /nfs/dbraw/zinc/27/85/31/398278531.db2.gz LKKCLXRLOWLNNA-WCFLWFBJSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000517742433 342746045 /nfs/dbraw/zinc/74/60/45/342746045.db2.gz DZAVOMHXKHOWIH-VWYCJHECSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)[C@H](C(=O)NC1CCN(C)CC1)[C@H](C)[NH3+] ZINC000399628572 342739460 /nfs/dbraw/zinc/73/94/60/342739460.db2.gz FIXKPTGQTRLGNN-JQWIXIFHSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N(C)CCN(C)C1CC1 ZINC000418513552 192045307 /nfs/dbraw/zinc/04/53/07/192045307.db2.gz AOTYACGLXHOAJZ-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NC2CC[NH2+]CC2)C1 ZINC000335464112 398288635 /nfs/dbraw/zinc/28/86/35/398288635.db2.gz HSZHRBRNAHHVIQ-ONGXEEELSA-N 1 3 225.336 0.243 20 0 BCADHO CC[C@@]1(C(=O)N2CCNC(C)(C)C2)CCC[NH2+]1 ZINC000335627945 136241114 /nfs/dbraw/zinc/24/11/14/136241114.db2.gz WPKJOVZIJFKMBG-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)(C(=O)NCC[NH3+])[C@@H](N)c1ccccc1 ZINC000417821942 398294635 /nfs/dbraw/zinc/29/46/35/398294635.db2.gz ZJCVKGXPDAXYMU-NSHDSACASA-N 1 3 235.331 0.788 20 0 BCADHO CC1(C)CN(C(=O)C2([NH3+])CCCCC2)CCN1 ZINC000335626403 136240637 /nfs/dbraw/zinc/24/06/37/136240637.db2.gz DIAQOWHEODHJKC-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000335626387 136240759 /nfs/dbraw/zinc/24/07/59/136240759.db2.gz CYUOVDYVJZPAMS-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCC[NH3+] ZINC000417883469 398299285 /nfs/dbraw/zinc/29/92/85/398299285.db2.gz WKNQLZXQSGSYFI-ONGXEEELSA-N 1 3 240.351 0.117 20 0 BCADHO Cc1[nH]ncc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335637387 136242984 /nfs/dbraw/zinc/24/29/84/136242984.db2.gz ZZAGEQXONIMZMJ-CMPLNLGQSA-N 1 3 220.320 0.902 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCOCCN(C)C ZINC000232655700 342869124 /nfs/dbraw/zinc/86/91/24/342869124.db2.gz ZEABRYVMXFRKRG-UHFFFAOYSA-N 1 3 245.367 0.069 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418566356 192051309 /nfs/dbraw/zinc/05/13/09/192051309.db2.gz MVDOAXCUFMXYCS-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC1CCN(C2CC2)CC1 ZINC000037476634 398327861 /nfs/dbraw/zinc/32/78/61/398327861.db2.gz GKPHAVVLWWETGB-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)C[C@H](C)[NH3+] ZINC000037476476 398327888 /nfs/dbraw/zinc/32/78/88/398327888.db2.gz GJZVNCCAQGAHGF-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000037467393 342932399 /nfs/dbraw/zinc/93/23/99/342932399.db2.gz GUGNKZHJQDNGFY-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](C)C1 ZINC000308534943 346881707 /nfs/dbraw/zinc/88/17/07/346881707.db2.gz RQCGDSOFFZCYPT-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](C)C1 ZINC000308534943 346881708 /nfs/dbraw/zinc/88/17/08/346881708.db2.gz RQCGDSOFFZCYPT-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418602708 192054879 /nfs/dbraw/zinc/05/48/79/192054879.db2.gz NUXPSJBYMLRSAL-GMTAPVOTSA-N 1 3 242.367 0.376 20 0 BCADHO C[C@@H]1C[C@@H](C)N(CCC(=O)N(C)C)C[C@@H]1C[NH3+] ZINC000397489216 323021269 /nfs/dbraw/zinc/02/12/69/323021269.db2.gz YFHPTMYRXFFLMR-UTUOFQBUSA-N 1 3 241.379 0.770 20 0 BCADHO CN1CC=C(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000392772378 398335188 /nfs/dbraw/zinc/33/51/88/398335188.db2.gz DNNBUZDEIBSYCU-GFCCVEGCSA-N 1 3 237.347 0.507 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)N(C)C ZINC000038089214 398335946 /nfs/dbraw/zinc/33/59/46/398335946.db2.gz QJTLHBCIAXWPKM-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)CNC)CC1 ZINC000381858456 346894145 /nfs/dbraw/zinc/89/41/45/346894145.db2.gz VSGDKCITJNHXPO-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)CNC2CC2)CC1 ZINC000518179737 259338249 /nfs/dbraw/zinc/33/82/49/259338249.db2.gz DBZIAFAWLHPLHM-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO COC[C@@H](C)CN(C)C1CC[NH2+]CC1 ZINC000308510937 259340416 /nfs/dbraw/zinc/34/04/16/259340416.db2.gz KUIAIYWSZZIUFT-JTQLQIEISA-N 1 3 200.326 0.953 20 0 BCADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050457587 343022061 /nfs/dbraw/zinc/02/20/61/343022061.db2.gz CFMVAWLBYZYXSK-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050457587 343022062 /nfs/dbraw/zinc/02/20/62/343022062.db2.gz CFMVAWLBYZYXSK-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C[C@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050465049 343022702 /nfs/dbraw/zinc/02/27/02/343022702.db2.gz FELAXHGUNUOFBT-MXWKQRLJSA-N 1 3 227.352 0.426 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@H](N)C(C)(C)C ZINC000162624027 349755763 /nfs/dbraw/zinc/75/57/63/349755763.db2.gz IKVAGNPNOUPVCD-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309452918 259343561 /nfs/dbraw/zinc/34/35/61/259343561.db2.gz MYYQJIYFBMGOKO-OPRDCNLKSA-N 1 3 213.325 0.084 20 0 BCADHO NC(C(=O)N1CCC[C@@H](C[NH3+])C1)C(F)(F)F ZINC000336003906 136263399 /nfs/dbraw/zinc/26/33/99/136263399.db2.gz YVRXXYHCWCBIKD-NKWVEPMBSA-N 1 3 239.241 0.073 20 0 BCADHO CC[C@@](C)(N)c1cn(CC[NH+]2CCCC2)nn1 ZINC000384202132 343064323 /nfs/dbraw/zinc/06/43/23/343064323.db2.gz LXVFALAYYHKRFU-GFCCVEGCSA-N 1 3 237.351 0.958 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000139799589 343067510 /nfs/dbraw/zinc/06/75/10/343067510.db2.gz KLWLCFKLQPMCHP-KOLCDFICSA-N 1 3 227.352 0.476 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000082475128 362024884 /nfs/dbraw/zinc/02/48/84/362024884.db2.gz ITMADUDRDDMTJN-WPRPVWTQSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH+](C)C[C@@H]1CCCCN1C(=O)CNC1CC1 ZINC000237025653 343119934 /nfs/dbraw/zinc/11/99/34/343119934.db2.gz SJFPFTIEGZDATF-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+]CC1CCN([C@H](CC)C(N)=O)CC1 ZINC000082645689 362074184 /nfs/dbraw/zinc/07/41/84/362074184.db2.gz OZYHJGRYUZHZRD-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO CC[NH2+]CC1CCN([C@@H](C)C(N)=O)CC1 ZINC000082645679 362074334 /nfs/dbraw/zinc/07/43/34/362074334.db2.gz RSGXAXUCNGKPPY-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236996448 343117144 /nfs/dbraw/zinc/11/71/44/343117144.db2.gz NUBRPXGZIORQOJ-ONGXEEELSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418687779 192060660 /nfs/dbraw/zinc/06/06/60/192060660.db2.gz AJUCJIZNWDPMAE-XKNYDFJKSA-N 1 3 228.340 0.114 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CSCCN1 ZINC000237124051 343127290 /nfs/dbraw/zinc/12/72/90/343127290.db2.gz YGURNYYKGSRVQT-VHSXEESVSA-N 1 3 245.392 0.053 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000322804342 323036725 /nfs/dbraw/zinc/03/67/25/323036725.db2.gz RINFOGGGTRFZTP-AEJSXWLSSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@@H](O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000308894948 346930097 /nfs/dbraw/zinc/93/00/97/346930097.db2.gz IQPVCOGPOGLNBI-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO CC[C@@H](O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000308894948 346930102 /nfs/dbraw/zinc/93/01/02/346930102.db2.gz IQPVCOGPOGLNBI-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000237585673 343151923 /nfs/dbraw/zinc/15/19/23/343151923.db2.gz WFNAPAKLWLVHNH-RAIGVLPGSA-N 1 3 247.342 0.882 20 0 BCADHO CSCC[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000580549944 365740271 /nfs/dbraw/zinc/74/02/71/365740271.db2.gz VVZHBBAMHWCCRI-GUBZILKMSA-N 1 3 245.392 0.263 20 0 BCADHO NC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCC1 ZINC000148270865 343195972 /nfs/dbraw/zinc/19/59/72/343195972.db2.gz SQINGTHWGPOOME-LLVKDONJSA-N 1 3 237.347 0.565 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC)[C@@H]1CC[NH2+]C1 ZINC000178408195 136274764 /nfs/dbraw/zinc/27/47/64/136274764.db2.gz OMIJXRMNDDUHLV-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)N1CCCC1 ZINC000161052805 343203922 /nfs/dbraw/zinc/20/39/22/343203922.db2.gz QNJKTHDAKKIXOG-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161019066 343204273 /nfs/dbraw/zinc/20/42/73/343204273.db2.gz IZAWSQWZDAUOGW-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)N(C)C)C1 ZINC000168558374 343210375 /nfs/dbraw/zinc/21/03/75/343210375.db2.gz ODKKJJWPPUYQQK-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCCNCC1 ZINC000134481428 343194564 /nfs/dbraw/zinc/19/45/64/343194564.db2.gz BEBZAGNVXXEBGP-LLVKDONJSA-N 1 3 225.336 0.198 20 0 BCADHO C[NH2+]CCCN(C)[C@@H]1CCN(C2CC2)C1 ZINC000087472166 136281572 /nfs/dbraw/zinc/28/15/72/136281572.db2.gz MGBKNRQFGGENLZ-GFCCVEGCSA-N 1 3 211.353 0.764 20 0 BCADHO Cn1nccc1CCN[C@](C)(C[NH3+])C1CC1 ZINC000634687321 343240821 /nfs/dbraw/zinc/24/08/21/343240821.db2.gz GWHYBFSKVJIEJY-GFCCVEGCSA-N 1 3 222.336 0.680 20 0 BCADHO CCN(CCNC(=O)[C@]1(C)CCC[NH2+]1)C1CC1 ZINC000121401505 343266530 /nfs/dbraw/zinc/26/65/30/343266530.db2.gz SHRPNHCQYZXVHO-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)COC)CC1 ZINC000070589346 343333530 /nfs/dbraw/zinc/33/35/30/343333530.db2.gz DRBBHYRMBUKRIG-NSHDSACASA-N 1 3 216.325 0.068 20 0 BCADHO NC(=O)CC[NH2+]C1CC(N2CCCCC2)C1 ZINC000584048778 343306393 /nfs/dbraw/zinc/30/63/93/343306393.db2.gz GTJOKHMGZDMYOR-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000335638362 136302852 /nfs/dbraw/zinc/30/28/52/136302852.db2.gz KJBSXULNJMXPBQ-MWLCHTKSSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@H]1CCC[NH2+]1 ZINC000335654041 136305994 /nfs/dbraw/zinc/30/59/94/136305994.db2.gz QAZCSKBBGIQIKB-GFCCVEGCSA-N 1 3 231.299 0.980 20 0 BCADHO C[C@@H]1CCN(C(=O)C(C)(C)N)C[C@H]1C[NH3+] ZINC000335659233 136307191 /nfs/dbraw/zinc/30/71/91/136307191.db2.gz ZPBCBSUDAOQPSI-RKDXNWHRSA-N 1 3 213.325 0.167 20 0 BCADHO COCCOCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166231056 136315398 /nfs/dbraw/zinc/31/53/98/136315398.db2.gz YHYUMLOTWXLBHV-QWRGUYRKSA-N 1 3 216.325 0.319 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000335662314 136315449 /nfs/dbraw/zinc/31/54/49/136315449.db2.gz IWWMQGLFPGARLX-NXEZZACHSA-N 1 3 225.336 0.502 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335662384 136315455 /nfs/dbraw/zinc/31/54/55/136315455.db2.gz HFPNGJPIRLFDHF-YGRLFVJLSA-N 1 3 249.358 0.481 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)N)C1 ZINC000166354394 136352268 /nfs/dbraw/zinc/35/22/68/136352268.db2.gz HYAFWPUHZFKSDY-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)N)C1 ZINC000166354394 136352269 /nfs/dbraw/zinc/35/22/69/136352269.db2.gz HYAFWPUHZFKSDY-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CC[NH+](CC)CCO[C@H]1CCN(CCCO)C1 ZINC000350244464 136356972 /nfs/dbraw/zinc/35/69/72/136356972.db2.gz CWZNMNXJZOGROW-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](N)CC(F)F ZINC000310344641 343451353 /nfs/dbraw/zinc/45/13/53/343451353.db2.gz DWWSXALQQNPCNV-RKDXNWHRSA-N 1 3 249.305 0.522 20 0 BCADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC000616489209 343475341 /nfs/dbraw/zinc/47/53/41/343475341.db2.gz RTAJQCKFFCHFBT-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO CCC[N@@H+]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000083961258 343511649 /nfs/dbraw/zinc/51/16/49/343511649.db2.gz VSEFQNLISZEQQA-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CCC[N@H+]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000083961258 343511650 /nfs/dbraw/zinc/51/16/50/343511650.db2.gz VSEFQNLISZEQQA-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CC(C)C[N@@H+]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000083961327 343511700 /nfs/dbraw/zinc/51/17/00/343511700.db2.gz KPYCVRNGFXASDU-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)C[N@H+]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000083961327 343511701 /nfs/dbraw/zinc/51/17/01/343511701.db2.gz KPYCVRNGFXASDU-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CN(C)C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000622721496 343574132 /nfs/dbraw/zinc/57/41/32/343574132.db2.gz TXSHKBGFCCNOLW-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCc2cn[nH]c2)C1 ZINC000379585170 343577646 /nfs/dbraw/zinc/57/76/46/343577646.db2.gz XPGYOKJUCCUYEO-WDEREUQCSA-N 1 3 208.309 0.812 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000379585170 343577648 /nfs/dbraw/zinc/57/76/48/343577648.db2.gz XPGYOKJUCCUYEO-WDEREUQCSA-N 1 3 208.309 0.812 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(N)C(F)(F)F ZINC000577061266 365797259 /nfs/dbraw/zinc/79/72/59/365797259.db2.gz FOMNMVISLBLKHP-DSYKOEDSSA-N 1 3 239.241 0.072 20 0 BCADHO COC[C@@H](NCCC[NH+](C)C)C1CC1 ZINC000087477410 343650032 /nfs/dbraw/zinc/65/00/32/343650032.db2.gz ZNUHHYOFNLVUML-LLVKDONJSA-N 1 3 200.326 0.953 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N(C)CCN1CCCC1 ZINC000418714456 192063887 /nfs/dbraw/zinc/06/38/87/192063887.db2.gz QIGRQIYWFIARGZ-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC000557633997 343714980 /nfs/dbraw/zinc/71/49/80/343714980.db2.gz QTKQBYXIDGRDLY-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N(CCN(C)C)C(C)C ZINC000418726969 192064957 /nfs/dbraw/zinc/06/49/57/192064957.db2.gz LYEIPOCWMIFTQT-LLVKDONJSA-N 1 3 244.383 0.705 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(N)C(F)(F)F ZINC000577061267 365797824 /nfs/dbraw/zinc/79/78/24/365797824.db2.gz FOMNMVISLBLKHP-FSDSQADBSA-N 1 3 239.241 0.072 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000584120515 343761870 /nfs/dbraw/zinc/76/18/70/343761870.db2.gz BXJQDJPYVPMUTF-NSHDSACASA-N 1 3 227.352 0.557 20 0 BCADHO CN(C)CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768459 192067017 /nfs/dbraw/zinc/06/70/17/192067017.db2.gz MFDGAKNULTYBGU-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000069838892 344041704 /nfs/dbraw/zinc/04/17/04/344041704.db2.gz BUONTMXCURYTAB-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000129080446 343962069 /nfs/dbraw/zinc/96/20/69/343962069.db2.gz BJZKZIASKQLPOK-SECBINFHSA-N 1 3 201.314 0.228 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000155242247 344108738 /nfs/dbraw/zinc/10/87/38/344108738.db2.gz PTBQICOINHJXMK-PWSUYJOCSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)[C@H](N)CC)CC1 ZINC000130383861 344135087 /nfs/dbraw/zinc/13/50/87/344135087.db2.gz OUYZEYPDGBKCEY-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000129085303 344209857 /nfs/dbraw/zinc/20/98/57/344209857.db2.gz YQELTNROUAZZPB-LPEHRKFASA-N 1 3 213.325 0.310 20 0 BCADHO COCCN(C)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086404064 344216843 /nfs/dbraw/zinc/21/68/43/344216843.db2.gz NONJGOKILBTKDM-RYUDHWBXSA-N 1 3 229.368 0.424 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000130453725 344221568 /nfs/dbraw/zinc/22/15/68/344221568.db2.gz OASMTCGHOTUGGY-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000130453725 344221569 /nfs/dbraw/zinc/22/15/69/344221569.db2.gz OASMTCGHOTUGGY-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000622044768 344229423 /nfs/dbraw/zinc/22/94/23/344229423.db2.gz RXVFYYFFOCQRML-XQQFMLRXSA-N 1 3 239.363 0.714 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000622044768 344229425 /nfs/dbraw/zinc/22/94/25/344229425.db2.gz RXVFYYFFOCQRML-XQQFMLRXSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000131867183 344237115 /nfs/dbraw/zinc/23/71/15/344237115.db2.gz VIRQEYHEBSIUAZ-UWVGGRQHSA-N 1 3 213.325 0.100 20 0 BCADHO CN(CC[C@H]1CC[NH2+]C1)Cc1cnn(C)c1 ZINC000084385207 344191422 /nfs/dbraw/zinc/19/14/22/344191422.db2.gz LQHIHFJWMOWHHR-LLVKDONJSA-N 1 3 222.336 0.852 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765098 344276257 /nfs/dbraw/zinc/27/62/57/344276257.db2.gz JZPSPVYDRYAXFH-QWRGUYRKSA-N 1 3 241.379 0.879 20 0 BCADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCNC2)[C@H]1C ZINC000600715025 344365738 /nfs/dbraw/zinc/36/57/38/344365738.db2.gz XDIDNJGTCLNWHS-NNYUYHANSA-N 1 3 240.347 0.916 20 0 BCADHO COC[C@H](CCO)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000228243421 347047483 /nfs/dbraw/zinc/04/74/83/347047483.db2.gz DPTCFWPEQQAINK-VWYCJHECSA-N 1 3 216.325 0.243 20 0 BCADHO COC(=O)CCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000600706307 344360135 /nfs/dbraw/zinc/36/01/35/344360135.db2.gz UEZKHXYKBLCNQS-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@@H+]1CCCO[C@H](CN)C1 ZINC000600712182 344361622 /nfs/dbraw/zinc/36/16/22/344361622.db2.gz XKRJXUNSQJLJPX-LLVKDONJSA-N 1 3 244.335 0.379 20 0 BCADHO COC(=O)CCCC[N@H+]1CCCO[C@H](CN)C1 ZINC000600712182 344361624 /nfs/dbraw/zinc/36/16/24/344361624.db2.gz XKRJXUNSQJLJPX-LLVKDONJSA-N 1 3 244.335 0.379 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000131534518 344299248 /nfs/dbraw/zinc/29/92/48/344299248.db2.gz DLWBOECOZXNZAN-OLZOCXBDSA-N 1 3 247.342 0.377 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)C1=CCN(C)CC1)[C@H](C)O ZINC000584287444 344421397 /nfs/dbraw/zinc/42/13/97/344421397.db2.gz KSTCZAMLCOUTKU-VWYCJHECSA-N 1 3 212.337 0.996 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C[C@H]1CSCCN1 ZINC000584290956 344425862 /nfs/dbraw/zinc/42/58/62/344425862.db2.gz QWPXOWASVWKJQR-UWVGGRQHSA-N 1 3 245.392 0.325 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000236825510 344406820 /nfs/dbraw/zinc/40/68/20/344406820.db2.gz DSTPJKKAPQZGJW-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000381460147 344509429 /nfs/dbraw/zinc/50/94/29/344509429.db2.gz KTOCGPZEHXOOQX-WCBMZHEXSA-N 1 3 213.325 0.310 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)N ZINC000041680131 344439687 /nfs/dbraw/zinc/43/96/87/344439687.db2.gz IRNWBKDDDVLBLG-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CNC ZINC000236910441 344455324 /nfs/dbraw/zinc/45/53/24/344455324.db2.gz VJWBCGUERNZPQK-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CNC ZINC000236910441 344455326 /nfs/dbraw/zinc/45/53/26/344455326.db2.gz VJWBCGUERNZPQK-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO COC[C@H](C)N(C)C[C@@H]1CCC[NH2+]C1 ZINC000042519556 344457067 /nfs/dbraw/zinc/45/70/67/344457067.db2.gz PRMZYXSKTLODAM-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000564941314 344474459 /nfs/dbraw/zinc/47/44/59/344474459.db2.gz QTKWEKVYQTZIDK-LLVKDONJSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)CCC[NH3+] ZINC000037001315 344485022 /nfs/dbraw/zinc/48/50/22/344485022.db2.gz RIIJTRSWULHUDL-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023750 344487144 /nfs/dbraw/zinc/48/71/44/344487144.db2.gz ZAMSGQAZDDQKKC-TUAOUCFPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023750 344487147 /nfs/dbraw/zinc/48/71/47/344487147.db2.gz ZAMSGQAZDDQKKC-TUAOUCFPSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037467307 344508299 /nfs/dbraw/zinc/50/82/99/344508299.db2.gz NMOJBYMXWNIQEV-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037467303 344508328 /nfs/dbraw/zinc/50/83/28/344508328.db2.gz NMOJBYMXWNIQEV-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[NH+](CC)CC ZINC000037481195 344508982 /nfs/dbraw/zinc/50/89/82/344508982.db2.gz SWOSLTKPBNHIDP-LBPRGKRZSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@@H](O)CC[NH+]1CCC(N(C)C)CC1 ZINC000044133121 344536190 /nfs/dbraw/zinc/53/61/90/344536190.db2.gz FMQMZVCZVYMUIE-SNVBAGLBSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)C1CCN(C)CC1 ZINC000044793732 344547733 /nfs/dbraw/zinc/54/77/33/344547733.db2.gz NXAIRWKZSNGWOJ-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000037612001 344552590 /nfs/dbraw/zinc/55/25/90/344552590.db2.gz RDHPOTACKIEJDB-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824248 344593608 /nfs/dbraw/zinc/59/36/08/344593608.db2.gz ASJNMTPLFJZPMM-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000309784537 259377446 /nfs/dbraw/zinc/37/74/46/259377446.db2.gz NQXXUNHFMVKDMG-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000641424265 362408824 /nfs/dbraw/zinc/40/88/24/362408824.db2.gz IWIBYJRIKUMXJP-ZJUUUORDSA-N 1 3 228.340 0.069 20 0 BCADHO CC(C)N1CCCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641426706 362410958 /nfs/dbraw/zinc/41/09/58/362410958.db2.gz VWPFKUJCPZJMEG-LLVKDONJSA-N 1 3 242.367 0.459 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000237067185 344588890 /nfs/dbraw/zinc/58/88/90/344588890.db2.gz INDQVYNDVMPBDX-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000574276321 344730652 /nfs/dbraw/zinc/73/06/52/344730652.db2.gz VIOZYYCHYUPBMA-XHNCKOQMSA-N 1 3 247.289 0.098 20 0 BCADHO Cn1cccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000077450215 344824692 /nfs/dbraw/zinc/82/46/92/344824692.db2.gz PEGWSVIXRZEXGE-UHFFFAOYSA-N 1 3 237.347 0.571 20 0 BCADHO CCN(CC)CCC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248980764 537867467 /nfs/dbraw/zinc/86/74/67/537867467.db2.gz FPABELPOAZCBPY-CHWSQXEVSA-N 1 3 246.395 0.782 20 0 BCADHO CCN(CC)CCC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248980764 537867473 /nfs/dbraw/zinc/86/74/73/537867473.db2.gz FPABELPOAZCBPY-CHWSQXEVSA-N 1 3 246.395 0.782 20 0 BCADHO COC[C@H](CO)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000234836222 537879825 /nfs/dbraw/zinc/87/98/25/537879825.db2.gz OTSAFYPQXCVRRA-PWSUYJOCSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H](C)N1 ZINC000154199058 345017761 /nfs/dbraw/zinc/01/77/61/345017761.db2.gz UUGBWNAYHVFEEH-PHIMTYICSA-N 1 3 239.363 0.537 20 0 BCADHO CCCC[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000154395774 345030802 /nfs/dbraw/zinc/03/08/02/345030802.db2.gz XDIHQQKFEGDROS-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO c1cn(CCC[NH2+]CC23CC(C2)CN3)cn1 ZINC000634996716 345191383 /nfs/dbraw/zinc/19/13/83/345191383.db2.gz RTRRLOQNIYJYCL-UHFFFAOYSA-N 1 3 220.320 0.615 20 0 BCADHO CN(CC12CC(C1)C[NH2+]2)[C@@H]1CCN(C2CC2)C1 ZINC000634992617 345181310 /nfs/dbraw/zinc/18/13/10/345181310.db2.gz VZPNPWBFDWHMSJ-HRDQMINSSA-N 1 3 235.375 0.907 20 0 BCADHO CCN(CC)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634949563 345125979 /nfs/dbraw/zinc/12/59/79/345125979.db2.gz UWDPVGXJNQVBBH-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@H]1CN(CC23CC(C2)C[NH2+]3)[C@@H](C)CN1C ZINC000634994216 345192608 /nfs/dbraw/zinc/19/26/08/345192608.db2.gz VWOFQFXFBXWPOL-ZSVAQUKISA-N 1 3 223.364 0.763 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)CCN1C ZINC000565042190 345194198 /nfs/dbraw/zinc/19/41/98/345194198.db2.gz XTJUMPKPOBKWKL-WGBDABJCSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H](CC(N)=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000635008131 345215817 /nfs/dbraw/zinc/21/58/17/345215817.db2.gz ZRPUATZASXFTKO-DGCLKSJQSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC000635008131 345215821 /nfs/dbraw/zinc/21/58/21/345215821.db2.gz ZRPUATZASXFTKO-DGCLKSJQSA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC000635255023 345289012 /nfs/dbraw/zinc/28/90/12/345289012.db2.gz JIRNSIFNCUOQOW-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)N(C)C ZINC000635255884 345289084 /nfs/dbraw/zinc/28/90/84/345289084.db2.gz YCUHWQDGPVPUAW-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000635255884 345289085 /nfs/dbraw/zinc/28/90/85/345289085.db2.gz YCUHWQDGPVPUAW-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000158550769 345347756 /nfs/dbraw/zinc/34/77/56/345347756.db2.gz NHOBNWLZICSKHF-OUAUKWLOSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)N ZINC000381334847 345375001 /nfs/dbraw/zinc/37/50/01/345375001.db2.gz VIXYOGWWKOVFNY-MRVPVSSYSA-N 1 3 207.277 0.692 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000449122428 201814855 /nfs/dbraw/zinc/81/48/55/201814855.db2.gz LIXULBJNKNHSRD-NGZCFLSTSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000381339074 345396234 /nfs/dbraw/zinc/39/62/34/345396234.db2.gz WXGYTVHGTISKSD-GUBZILKMSA-N 1 3 213.325 0.165 20 0 BCADHO N[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000563116567 323093323 /nfs/dbraw/zinc/09/33/23/323093323.db2.gz JFWBVAGWQHWYPV-MIMYLULJSA-N 1 3 225.336 0.357 20 0 BCADHO Cn1nccc1CCN1CC[C@](C)(C[NH3+])C1 ZINC000236080946 537910266 /nfs/dbraw/zinc/91/02/66/537910266.db2.gz NQIQYZHRYONNRM-GFCCVEGCSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1nccc1CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000236080946 537910270 /nfs/dbraw/zinc/91/02/70/537910270.db2.gz NQIQYZHRYONNRM-GFCCVEGCSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1nccc1CC[N@H+]1CC[C@](C)(CN)C1 ZINC000236080946 537910273 /nfs/dbraw/zinc/91/02/73/537910273.db2.gz NQIQYZHRYONNRM-GFCCVEGCSA-N 1 3 222.336 0.633 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000563160311 323097428 /nfs/dbraw/zinc/09/74/28/323097428.db2.gz JLLMYQMDIYQLSH-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000563160311 323097429 /nfs/dbraw/zinc/09/74/29/323097429.db2.gz JLLMYQMDIYQLSH-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCCN1 ZINC000178408405 345914757 /nfs/dbraw/zinc/91/47/57/345914757.db2.gz LGTYHQVYMJTAJC-WDEREUQCSA-N 1 3 225.336 0.244 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567925303 323101496 /nfs/dbraw/zinc/10/14/96/323101496.db2.gz ITMDTTRVCJPGQB-YIZRAAEISA-N 1 3 233.381 0.309 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC[C@H](CC[NH3+])C1 ZINC000069626518 349950799 /nfs/dbraw/zinc/95/07/99/349950799.db2.gz QIDNCFGJJNAGML-ZJUUUORDSA-N 1 3 213.325 0.311 20 0 BCADHO Cn1cncc1CC[N@H+](C)[C@@H](CN)C1CC1 ZINC000641797697 362744294 /nfs/dbraw/zinc/74/42/94/362744294.db2.gz GFVFPPBQGKCXHQ-LBPRGKRZSA-N 1 3 222.336 0.632 20 0 BCADHO Cn1cncc1CC[N@@H+](C)[C@@H](CN)C1CC1 ZINC000641797697 362744296 /nfs/dbraw/zinc/74/42/96/362744296.db2.gz GFVFPPBQGKCXHQ-LBPRGKRZSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2cncn2C)C1 ZINC000641799543 362748130 /nfs/dbraw/zinc/74/81/30/362748130.db2.gz WYGGJQQJCYGFDX-MNOVXSKESA-N 1 3 222.336 0.632 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184958202 535049264 /nfs/dbraw/zinc/04/92/64/535049264.db2.gz BGPKDDGURFSVQU-VLEAKVRGSA-N 1 3 225.336 0.165 20 0 BCADHO CC(C)[C@H](N)C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000335567084 535050569 /nfs/dbraw/zinc/05/05/69/535050569.db2.gz KLEUHMKKAMBUAJ-AAEUAGOBSA-N 1 3 247.342 0.886 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOC[C@H]1CCCO1 ZINC000641802303 362759812 /nfs/dbraw/zinc/75/98/12/362759812.db2.gz IYIAIEVNFGOEAF-UTUOFQBUSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000641802303 362759815 /nfs/dbraw/zinc/75/98/15/362759815.db2.gz IYIAIEVNFGOEAF-UTUOFQBUSA-N 1 3 242.363 0.897 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000580120614 346542521 /nfs/dbraw/zinc/54/25/21/346542521.db2.gz FNTXGPXQOWDMTC-XQQFMLRXSA-N 1 3 242.363 0.146 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000580120614 346542525 /nfs/dbraw/zinc/54/25/25/346542525.db2.gz FNTXGPXQOWDMTC-XQQFMLRXSA-N 1 3 242.363 0.146 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)CC[C@H]1[NH3+] ZINC000580197454 346654230 /nfs/dbraw/zinc/65/42/30/346654230.db2.gz JNEMHPHRBIUUOK-OPRDCNLKSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000580646879 365841373 /nfs/dbraw/zinc/84/13/73/365841373.db2.gz QMKMKTDLNGNBKF-KOLCDFICSA-N 1 3 227.352 0.748 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)COCC2CC2)C1 ZINC000580216273 346699518 /nfs/dbraw/zinc/69/95/18/346699518.db2.gz SYLXOASXPDNPBP-JHJVBQTASA-N 1 3 242.363 0.633 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@H]2CC[NH2+]C2)[C@H](C)CN1 ZINC000571082039 323134993 /nfs/dbraw/zinc/13/49/93/323134993.db2.gz LBQRRBMBGSVKRU-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[N@H+](CC(C)(C)N)C[C@@H]1CO ZINC000622003594 370654461 /nfs/dbraw/zinc/65/44/61/370654461.db2.gz BZPDBNPLRXYQQT-VHSXEESVSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@H]1CC[N@@H+](CC(C)(C)N)C[C@@H]1CO ZINC000622003594 370654466 /nfs/dbraw/zinc/65/44/66/370654466.db2.gz BZPDBNPLRXYQQT-VHSXEESVSA-N 1 3 200.326 0.674 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309768745 347159284 /nfs/dbraw/zinc/15/92/84/347159284.db2.gz JYXDXZFONMMEJC-NXEZZACHSA-N 1 3 213.325 0.372 20 0 BCADHO Cn1cc(CCN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000087765869 362786849 /nfs/dbraw/zinc/78/68/49/362786849.db2.gz FJJYDYSPQGTDFV-RYUDHWBXSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1cc(CC[NH2+][C@H]2CCC[C@H](N)C2)cn1 ZINC000087765869 362786854 /nfs/dbraw/zinc/78/68/54/362786854.db2.gz FJJYDYSPQGTDFV-RYUDHWBXSA-N 1 3 222.336 0.822 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000353186204 187372832 /nfs/dbraw/zinc/37/28/32/187372832.db2.gz QJVWSSFZILVPQR-JLLWLGSASA-N 1 3 239.363 0.569 20 0 BCADHO [NH3+]CCC1CCN(CC(=O)N2CCCC2)CC1 ZINC000070188584 349975741 /nfs/dbraw/zinc/97/57/41/349975741.db2.gz GGSHAWCGLFNLDB-UHFFFAOYSA-N 1 3 239.363 0.670 20 0 BCADHO CCCN(C)CC(=O)NCCC[NH2+]C1CC1 ZINC000580332506 347425208 /nfs/dbraw/zinc/42/52/08/347425208.db2.gz XZOJOELDJPLDPT-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO COC[C@H]([NH2+][C@H]1CCNC[C@H]1C)C1CC1 ZINC000397273925 323150445 /nfs/dbraw/zinc/15/04/45/323150445.db2.gz YLFRDVIUZNJZOD-USWWRNFRSA-N 1 3 212.337 0.999 20 0 BCADHO COC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000397273925 323150446 /nfs/dbraw/zinc/15/04/46/323150446.db2.gz YLFRDVIUZNJZOD-USWWRNFRSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H]([NH3+])C1CCN(Cc2ccnn2C)CC1 ZINC000082474728 347615704 /nfs/dbraw/zinc/61/57/04/347615704.db2.gz QVSDJUPPQYNVDI-JTQLQIEISA-N 1 3 222.336 0.979 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC([C@H](C)[NH3+])CC1 ZINC000082475064 347614681 /nfs/dbraw/zinc/61/46/81/347614681.db2.gz WUUSZLBILMRJOJ-VHSXEESVSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C1CC1 ZINC000591456796 347665045 /nfs/dbraw/zinc/66/50/45/347665045.db2.gz YGECWXNEVFFUGQ-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C1CC1 ZINC000591456796 347665046 /nfs/dbraw/zinc/66/50/46/347665046.db2.gz YGECWXNEVFFUGQ-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000577278355 365914269 /nfs/dbraw/zinc/91/42/69/365914269.db2.gz CPXXBLVDOCFUPG-GARJFASQSA-N 1 3 225.336 0.038 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H](C)C1 ZINC000308534945 347820069 /nfs/dbraw/zinc/82/00/69/347820069.db2.gz RQCGDSOFFZCYPT-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](C)C1 ZINC000308534945 347820071 /nfs/dbraw/zinc/82/00/71/347820071.db2.gz RQCGDSOFFZCYPT-MNOVXSKESA-N 1 3 200.326 0.641 20 0 BCADHO COC(=O)[C@@H]1C[N@H+](CC(C)(C)N)C[C@H]1C1CC1 ZINC000593316214 347881413 /nfs/dbraw/zinc/88/14/13/347881413.db2.gz BBRGEUSBILFRAQ-WDEREUQCSA-N 1 3 240.347 0.855 20 0 BCADHO COC(=O)[C@@H]1C[N@@H+](CC(C)(C)N)C[C@H]1C1CC1 ZINC000593316214 347881414 /nfs/dbraw/zinc/88/14/14/347881414.db2.gz BBRGEUSBILFRAQ-WDEREUQCSA-N 1 3 240.347 0.855 20 0 BCADHO CCN(CC)CC[C@@H](CO)[NH2+]CC1(O)CCC1 ZINC000577373477 365937748 /nfs/dbraw/zinc/93/77/48/365937748.db2.gz SGQALBMMDCTANR-LBPRGKRZSA-N 1 3 244.379 0.584 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000577399530 365945463 /nfs/dbraw/zinc/94/54/63/365945463.db2.gz LQLJSVIEKFNKSK-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000577399539 365945547 /nfs/dbraw/zinc/94/55/47/365945547.db2.gz LQLJSVIEKFNKSK-ZJUUUORDSA-N 1 3 227.352 0.570 20 0 BCADHO C(SC[C@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000594696514 348100912 /nfs/dbraw/zinc/10/09/12/348100912.db2.gz PIGDQKXSJGQXQK-LLVKDONJSA-N 1 3 230.377 0.708 20 0 BCADHO C[C@]1(CNC[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000397246258 362866952 /nfs/dbraw/zinc/86/69/52/362866952.db2.gz ULNKHCDNDAEOHE-QWHCGFSZSA-N 1 3 242.363 0.459 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000595939133 348409439 /nfs/dbraw/zinc/40/94/39/348409439.db2.gz FACYNVYJYNZCMH-ZJUUUORDSA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000595939132 348409649 /nfs/dbraw/zinc/40/96/49/348409649.db2.gz FACYNVYJYNZCMH-VHSXEESVSA-N 1 3 247.408 0.523 20 0 BCADHO CC(C)OC(=O)CC[NH2+]C1(CO)CCNCC1 ZINC000595897392 348393927 /nfs/dbraw/zinc/39/39/27/348393927.db2.gz WTNMDWXYFVLWPF-UHFFFAOYSA-N 1 3 244.335 0.032 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCCC1 ZINC000237799463 490217971 /nfs/dbraw/zinc/21/79/71/490217971.db2.gz MWNWOYAXHVGKIT-JTQLQIEISA-N 1 3 225.336 0.516 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)C2CCN(C)CC2)C1 ZINC000616571886 349061103 /nfs/dbraw/zinc/06/11/03/349061103.db2.gz IRSUEBFAHCUGQL-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCCCNC2=O)C1 ZINC000250865007 349180321 /nfs/dbraw/zinc/18/03/21/349180321.db2.gz RCJXWLXIKOHQNH-MXWKQRLJSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000252123950 349197297 /nfs/dbraw/zinc/19/72/97/349197297.db2.gz LEAFDMPDRAXVEF-KXNHARMFSA-N 1 3 239.363 0.583 20 0 BCADHO CN(CCNC(=O)[C@@]1(C)CCC[NH2+]1)C1CC1 ZINC000070619341 350029700 /nfs/dbraw/zinc/02/97/00/350029700.db2.gz CBSHRYJAPUDERY-GFCCVEGCSA-N 1 3 225.336 0.339 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@H]1CCSC1)C1CC1 ZINC000309119798 350036009 /nfs/dbraw/zinc/03/60/09/350036009.db2.gz SQOIFUXULRPRKE-GXSJLCMTSA-N 1 3 230.377 0.537 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@H]1CCSC1)C1CC1 ZINC000309119798 350036011 /nfs/dbraw/zinc/03/60/11/350036011.db2.gz SQOIFUXULRPRKE-GXSJLCMTSA-N 1 3 230.377 0.537 20 0 BCADHO C[NH2+]C[C@H]1CCN(CCC(=O)N(C)C)C1 ZINC000070800167 350059486 /nfs/dbraw/zinc/05/94/86/350059486.db2.gz QUXJSPVDUHJDDL-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132945391 490297589 /nfs/dbraw/zinc/29/75/89/490297589.db2.gz HOZUDCICINUDKJ-OPRDCNLKSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132945391 490297595 /nfs/dbraw/zinc/29/75/95/490297595.db2.gz HOZUDCICINUDKJ-OPRDCNLKSA-N 1 3 213.325 0.323 20 0 BCADHO COC[C@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000219320363 350122251 /nfs/dbraw/zinc/12/22/51/350122251.db2.gz JXOIJKCDQZHUTQ-LBPRGKRZSA-N 1 3 230.352 0.579 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309827663 191067787 /nfs/dbraw/zinc/06/77/87/191067787.db2.gz XSIRTDPMCMDPEZ-BBBLOLIVSA-N 1 3 213.325 0.308 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000427565296 191081666 /nfs/dbraw/zinc/08/16/66/191081666.db2.gz NDTDFJYDKSSMBD-SDDRHHMPSA-N 1 3 241.379 0.687 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000309269018 350246993 /nfs/dbraw/zinc/24/69/93/350246993.db2.gz KIHSPLZCEAZJMT-SNVBAGLBSA-N 1 3 211.309 0.006 20 0 BCADHO CC[NH+]1CCC(N(C)C[C@@H](O)COC)CC1 ZINC000068891202 350300247 /nfs/dbraw/zinc/30/02/47/350300247.db2.gz SESXTEGKKVWRTF-GFCCVEGCSA-N 1 3 230.352 0.410 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042248 350302930 /nfs/dbraw/zinc/30/29/30/350302930.db2.gz BPDNUWKNWMDMCA-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCOC[C@H](O)CN(C)C1CC[NH+](CC)CC1 ZINC000069277104 350351605 /nfs/dbraw/zinc/35/16/05/350351605.db2.gz XGIKGKCBBWDIIM-CYBMUJFWSA-N 1 3 244.379 0.800 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309373075 350362070 /nfs/dbraw/zinc/36/20/70/350362070.db2.gz CHFUZGSDNUWBNQ-MRVPVSSYSA-N 1 3 231.365 0.064 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000069840048 350414868 /nfs/dbraw/zinc/41/48/68/350414868.db2.gz PVZVFMCWJAFAEE-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]1CN(C)C ZINC000069840250 350418468 /nfs/dbraw/zinc/41/84/68/350418468.db2.gz WIHPKUSUINNUBC-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541415 362959321 /nfs/dbraw/zinc/95/93/21/362959321.db2.gz IJUSQXZVEDSRSO-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@@H](C)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623541415 362959327 /nfs/dbraw/zinc/95/93/27/362959327.db2.gz IJUSQXZVEDSRSO-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CO[C@H](CN)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000577501940 365970902 /nfs/dbraw/zinc/97/09/02/365970902.db2.gz VZBUHCGBJOCHIW-LDYMZIIASA-N 1 3 237.303 0.619 20 0 BCADHO COC[C@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000070589343 350543567 /nfs/dbraw/zinc/54/35/67/350543567.db2.gz DAYNYTNIRYKFGF-GFCCVEGCSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000220411264 490599262 /nfs/dbraw/zinc/59/92/62/490599262.db2.gz YNEKCDCLDGMGAA-OFLUOSHYSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H](CC(N)=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000220411264 490599263 /nfs/dbraw/zinc/59/92/63/490599263.db2.gz YNEKCDCLDGMGAA-OFLUOSHYSA-N 1 3 225.336 0.465 20 0 BCADHO CC1CCN(CCNC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000384834370 350591609 /nfs/dbraw/zinc/59/16/09/350591609.db2.gz NAVLUQKSDDZBAI-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+](C[C@@H](O)CNCC(C)(C)CO)C1CC1 ZINC000393774084 490689269 /nfs/dbraw/zinc/68/92/69/490689269.db2.gz JARFFTZWSWRIML-NSHDSACASA-N 1 3 230.352 0.050 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)CO)C1CC1 ZINC000393774084 490689274 /nfs/dbraw/zinc/68/92/74/490689274.db2.gz JARFFTZWSWRIML-NSHDSACASA-N 1 3 230.352 0.050 20 0 BCADHO CC[C@@H](O)C[N@H+](C)CCCN(C)CCN(C)C ZINC000339203592 350739894 /nfs/dbraw/zinc/73/98/94/350739894.db2.gz JJYCGOXYHHUDIH-CYBMUJFWSA-N 1 3 245.411 0.573 20 0 BCADHO CC[C@@H](O)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000339203592 350739896 /nfs/dbraw/zinc/73/98/96/350739896.db2.gz JJYCGOXYHHUDIH-CYBMUJFWSA-N 1 3 245.411 0.573 20 0 BCADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N1CCCCC1 ZINC000577611532 366017326 /nfs/dbraw/zinc/01/73/26/366017326.db2.gz GYIZBTUZNLOGPS-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N1CCCCC1 ZINC000577611533 366017665 /nfs/dbraw/zinc/01/76/65/366017665.db2.gz GYIZBTUZNLOGPS-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO [NH3+]CCN1CCNC[C@@H]1c1ccc(F)cc1 ZINC000616636811 351128953 /nfs/dbraw/zinc/12/89/53/351128953.db2.gz PDQAEHGZLXTCND-GFCCVEGCSA-N 1 3 223.295 0.731 20 0 BCADHO CSCC[C@H](CO)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571938886 323509943 /nfs/dbraw/zinc/50/99/43/323509943.db2.gz IRPATMCVXBDBGX-HBNTYKKESA-N 1 3 232.393 0.960 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)C1(N)CCC1 ZINC000088050031 351531871 /nfs/dbraw/zinc/53/18/71/351531871.db2.gz HQXODWJCIGPYRP-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000637820845 351661479 /nfs/dbraw/zinc/66/14/79/351661479.db2.gz JNHZMUZFCGCTTI-VHSXEESVSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637815808 351655080 /nfs/dbraw/zinc/65/50/80/351655080.db2.gz XVCLJDAFGOZTBT-NEPJUHHUSA-N 1 3 241.379 0.866 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000637799132 351627980 /nfs/dbraw/zinc/62/79/80/351627980.db2.gz KPGAAWQXTRDGKP-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000637799149 351628059 /nfs/dbraw/zinc/62/80/59/351628059.db2.gz KPGAAWQXTRDGKP-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCCC[NH3+] ZINC000637801319 351631721 /nfs/dbraw/zinc/63/17/21/351631721.db2.gz NRPGNXUGAFLVNN-SECBINFHSA-N 1 3 201.314 0.215 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC000577734291 366048166 /nfs/dbraw/zinc/04/81/66/366048166.db2.gz ZGGALGXJYNKPHS-NSHDSACASA-N 1 3 229.368 0.688 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000637834427 351688573 /nfs/dbraw/zinc/68/85/73/351688573.db2.gz WPHFVOOVOVRQQX-NEPJUHHUSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834431 351689110 /nfs/dbraw/zinc/68/91/10/351689110.db2.gz WPHFVOOVOVRQQX-RYUDHWBXSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N(C)C ZINC000637839888 351694815 /nfs/dbraw/zinc/69/48/15/351694815.db2.gz CHVVDDAPVQUTCD-JQWIXIFHSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH3+])N(C)C ZINC000637843121 351701615 /nfs/dbraw/zinc/70/16/15/351701615.db2.gz VVGBILPODNQQQF-BDAKNGLRSA-N 1 3 201.314 0.132 20 0 BCADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH3+])N(C)C ZINC000637843122 351701732 /nfs/dbraw/zinc/70/17/32/351701732.db2.gz VVGBILPODNQQQF-DTWKUNHWSA-N 1 3 201.314 0.132 20 0 BCADHO CN(CC(=O)N1CC[C@@H](C[NH3+])C1)CC(C)(C)C ZINC000637822331 351666639 /nfs/dbraw/zinc/66/66/39/351666639.db2.gz JUOJPRLKISPTAN-NSHDSACASA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000637828233 351675138 /nfs/dbraw/zinc/67/51/38/351675138.db2.gz XUZZKQILUIRWSW-NSHDSACASA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000637857182 351718041 /nfs/dbraw/zinc/71/80/41/351718041.db2.gz NCLDBXZQRXDCKW-VIFPVBQESA-N 1 3 215.341 0.603 20 0 BCADHO C[NH+](C)CC1(C(=O)N2CCNCC2(C)C)CC1 ZINC000637857942 351718644 /nfs/dbraw/zinc/71/86/44/351718644.db2.gz VMILZRINVWLPKK-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000637860588 351722084 /nfs/dbraw/zinc/72/20/84/351722084.db2.gz BDDQOIMKSIGFHS-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)C2(N)CC2)CC1 ZINC000577752815 366053661 /nfs/dbraw/zinc/05/36/61/366053661.db2.gz WRZCCKUXHJWULV-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638049843 351927492 /nfs/dbraw/zinc/92/74/92/351927492.db2.gz OZHWCLXCMMLBGU-RYUDHWBXSA-N 1 3 237.347 0.634 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000638068041 351937859 /nfs/dbraw/zinc/93/78/59/351937859.db2.gz ALQOGZUEHHGHME-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)N(C)C ZINC000638080825 351953809 /nfs/dbraw/zinc/95/38/09/351953809.db2.gz REACOOKYXCZGCQ-WPRPVWTQSA-N 1 3 211.309 0.100 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000638081130 351954476 /nfs/dbraw/zinc/95/44/76/351954476.db2.gz VBTPMQBDDYFRQJ-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847021 351957412 /nfs/dbraw/zinc/95/74/12/351957412.db2.gz IQQSQWNUGKQBDL-UBJLHIIHSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847021 351957417 /nfs/dbraw/zinc/95/74/17/351957417.db2.gz IQQSQWNUGKQBDL-UBJLHIIHSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H](CNC(=O)CCC1C[NH2+]C1)N(C)C ZINC000638081512 351957808 /nfs/dbraw/zinc/95/78/08/351957808.db2.gz ZUELZFFZCSZGGN-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CN1CCC[C@H](CNC(=O)CCC2C[NH2+]C2)C1 ZINC000638086691 351963825 /nfs/dbraw/zinc/96/38/25/351963825.db2.gz UMSZVIQSYHQWDI-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000638100579 351980474 /nfs/dbraw/zinc/98/04/74/351980474.db2.gz KFRATBXVYWMEBL-ZJUUUORDSA-N 1 3 227.352 0.583 20 0 BCADHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000638102216 351983632 /nfs/dbraw/zinc/98/36/32/351983632.db2.gz UCQOPOZCGBAZCS-DGCLKSJQSA-N 1 3 249.358 0.729 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000638126911 351998099 /nfs/dbraw/zinc/99/80/99/351998099.db2.gz RNLCDWRRNNYSAO-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000638133517 352000985 /nfs/dbraw/zinc/00/09/85/352000985.db2.gz IIGXRRQEFNXQPG-HOSYDEDBSA-N 1 3 239.363 0.583 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000638136333 352003004 /nfs/dbraw/zinc/00/30/04/352003004.db2.gz YDEJZEDFWCVKEW-AXFHLTTASA-N 1 3 239.363 0.726 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638175938 352042435 /nfs/dbraw/zinc/04/24/35/352042435.db2.gz ACPVIAUBGWANQX-KWQFWETISA-N 1 3 236.319 0.375 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000638204086 352065993 /nfs/dbraw/zinc/06/59/93/352065993.db2.gz IJIHXNGGDJRYNM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000638204086 352065994 /nfs/dbraw/zinc/06/59/94/352065994.db2.gz IJIHXNGGDJRYNM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N1CCN[C@H](C)[C@@H]1C)[NH+](C)C ZINC000638205598 352067952 /nfs/dbraw/zinc/06/79/52/352067952.db2.gz IMDBGFYVUKRMFP-OUAUKWLOSA-N 1 3 227.352 0.535 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000638153429 352017545 /nfs/dbraw/zinc/01/75/45/352017545.db2.gz VHNQHMIZWWSHED-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CN(C(=O)CCC2C[NH2+]C2)[C@@H](C)CN1 ZINC000638157111 352021293 /nfs/dbraw/zinc/02/12/93/352021293.db2.gz BVKHOTHIQPVEPL-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000638160472 352024761 /nfs/dbraw/zinc/02/47/61/352024761.db2.gz XXTFDDMBLAWKPK-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000638286876 352122578 /nfs/dbraw/zinc/12/25/78/352122578.db2.gz RULUXXFDWGXKPQ-TUAOUCFPSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H](Cc1cnccn1)NCCC[NH+](C)C ZINC000638289530 352125289 /nfs/dbraw/zinc/12/52/89/352125289.db2.gz RLXXMHQDAWKPQW-LLVKDONJSA-N 1 3 222.336 0.949 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638218973 352078754 /nfs/dbraw/zinc/07/87/54/352078754.db2.gz FIOAVSNXNWOURI-YPMHNXCESA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000638218968 352078792 /nfs/dbraw/zinc/07/87/92/352078792.db2.gz FIOAVSNXNWOURI-AAEUAGOBSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000638236050 352086737 /nfs/dbraw/zinc/08/67/37/352086737.db2.gz UKVOTQINROCMNS-DCAQKATOSA-N 1 3 227.352 0.698 20 0 BCADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246841 352093290 /nfs/dbraw/zinc/09/32/90/352093290.db2.gz FTZFGQYZXLIXNL-VWYCJHECSA-N 1 3 243.326 0.144 20 0 BCADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000638246841 352093292 /nfs/dbraw/zinc/09/32/92/352093292.db2.gz FTZFGQYZXLIXNL-VWYCJHECSA-N 1 3 243.326 0.144 20 0 BCADHO C[NH+](C)CC1(C(=O)NC[C@@H]2C[C@H](F)CN2)CC1 ZINC000638246863 352093389 /nfs/dbraw/zinc/09/33/89/352093389.db2.gz GOWGPHKJXJVRGT-UWVGGRQHSA-N 1 3 243.326 0.144 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000638252111 352095257 /nfs/dbraw/zinc/09/52/57/352095257.db2.gz PDKMXZQGUWAPLD-MNOVXSKESA-N 1 3 229.368 0.994 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638254864 352098128 /nfs/dbraw/zinc/09/81/28/352098128.db2.gz IZLVKFGUONKNCE-UWVGGRQHSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)N(C)C ZINC000638261116 352103493 /nfs/dbraw/zinc/10/34/93/352103493.db2.gz CIWMYRJUEBVZQU-MNOVXSKESA-N 1 3 241.379 0.831 20 0 BCADHO CCN[C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638261434 352103615 /nfs/dbraw/zinc/10/36/15/352103615.db2.gz GJWYNQWAPOZSGW-MNOVXSKESA-N 1 3 227.352 0.633 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638267029 352106758 /nfs/dbraw/zinc/10/67/58/352106758.db2.gz MCKQYHGKSDTEPP-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000638270682 352107415 /nfs/dbraw/zinc/10/74/15/352107415.db2.gz LETCSQYXGDQASL-JTQLQIEISA-N 1 3 236.319 0.517 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)N(C)C ZINC000638333358 352151697 /nfs/dbraw/zinc/15/16/97/352151697.db2.gz QDOBTPLMWOPHAQ-ZJUUUORDSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000638333425 352151799 /nfs/dbraw/zinc/15/17/99/352151799.db2.gz XDXPXXHPDVUABY-RYUDHWBXSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)N(C)C ZINC000638325800 352144930 /nfs/dbraw/zinc/14/49/30/352144930.db2.gz GYYZOIPUEZNFQS-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426803 352235102 /nfs/dbraw/zinc/23/51/02/352235102.db2.gz GRFWCIHTHSHLGR-AKJDGMEZSA-N 1 3 239.363 0.618 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@@H](C)[NH2+]CC)C1 ZINC000638427588 352235713 /nfs/dbraw/zinc/23/57/13/352235713.db2.gz VGSDCFWXAFUCED-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638430747 352238823 /nfs/dbraw/zinc/23/88/23/352238823.db2.gz HKFIGERAJWBPTN-HBNTYKKESA-N 1 3 243.326 0.226 20 0 BCADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638430747 352238824 /nfs/dbraw/zinc/23/88/24/352238824.db2.gz HKFIGERAJWBPTN-HBNTYKKESA-N 1 3 243.326 0.226 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638437768 352245364 /nfs/dbraw/zinc/24/53/64/352245364.db2.gz UVRVECMYPOEZDT-CMPLNLGQSA-N 1 3 227.352 0.618 20 0 BCADHO CN(CC(=O)N[C@@]1(C)CC[NH2+]C1)CC(C)(C)C ZINC000638440786 352246892 /nfs/dbraw/zinc/24/68/92/352246892.db2.gz QSFKIVQTXGMNAD-ZDUSSCGKSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638499592 352319285 /nfs/dbraw/zinc/31/92/85/352319285.db2.gz QWTZRBVLKHUZAL-PWSUYJOCSA-N 1 3 239.363 0.905 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000638484239 352294431 /nfs/dbraw/zinc/29/44/31/352294431.db2.gz POMRHPKWEWHLAV-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638498739 352320350 /nfs/dbraw/zinc/32/03/50/352320350.db2.gz LXPWGQLLQSLWHF-DCAQKATOSA-N 1 3 239.363 0.761 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638500956 352320949 /nfs/dbraw/zinc/32/09/49/352320949.db2.gz WUVMGXKEPOHICJ-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638505300 352326768 /nfs/dbraw/zinc/32/67/68/352326768.db2.gz KQGYCCRISMJREY-NSHDSACASA-N 1 3 239.363 0.727 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000638516030 352343201 /nfs/dbraw/zinc/34/32/01/352343201.db2.gz KMAFYONUYPUITC-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H]1CNCCC1(F)F ZINC000638517552 352348266 /nfs/dbraw/zinc/34/82/66/352348266.db2.gz VSNLILXTOPKBMA-QMMMGPOBSA-N 1 3 235.278 0.038 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC1([NH3+])CCOCC1 ZINC000638535904 352367278 /nfs/dbraw/zinc/36/72/78/352367278.db2.gz SXWBIVZVBHWSIV-LLVKDONJSA-N 1 3 243.351 0.128 20 0 BCADHO CC[C@H](C(=O)N(C)CCOCC[NH2+]C)N(C)C ZINC000638593346 352423615 /nfs/dbraw/zinc/42/36/15/352423615.db2.gz ADKADLAPENCNEB-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638577404 352405844 /nfs/dbraw/zinc/40/58/44/352405844.db2.gz YTIIPMHFUQWDDK-LPEHRKFASA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)(N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000577852076 366083835 /nfs/dbraw/zinc/08/38/35/366083835.db2.gz VPCVVGXERFBNNJ-RXMQYKEDSA-N 1 3 227.230 0.120 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638653806 352493786 /nfs/dbraw/zinc/49/37/86/352493786.db2.gz HJORRMCCFJXBNF-AXFHLTTASA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000638639842 352481726 /nfs/dbraw/zinc/48/17/26/352481726.db2.gz NTSQFXLXRLEJMS-OUAUKWLOSA-N 1 3 227.352 0.583 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638641143 352483267 /nfs/dbraw/zinc/48/32/67/352483267.db2.gz DDIXUCBAPJZQPY-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638641140 352483286 /nfs/dbraw/zinc/48/32/86/352483286.db2.gz DDIXUCBAPJZQPY-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@H](N)C2CCC2)C[NH2+]1 ZINC000638641557 352485023 /nfs/dbraw/zinc/48/50/23/352485023.db2.gz DRMGTGYVLOAGKY-DVVUODLYSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@H]2NCC2(C)C)C[NH2+]1 ZINC000638645690 352489563 /nfs/dbraw/zinc/48/95/63/352489563.db2.gz WRFOUWOVCVSEJZ-KXUCPTDWSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)C2(N)CCC2)C[NH2+]1 ZINC000638646048 352489578 /nfs/dbraw/zinc/48/95/78/352489578.db2.gz XLLXBDHLXYMZLN-RKDXNWHRSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638654515 352497521 /nfs/dbraw/zinc/49/75/21/352497521.db2.gz LSURCFHPPUJRCL-AEJSXWLSSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)C2(N)CCCCC2)C[NH2+]1 ZINC000638655881 352498418 /nfs/dbraw/zinc/49/84/18/352498418.db2.gz RSAQKNYSHHTWNX-GHMZBOCLSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C[NH2+]1 ZINC000638657777 352500932 /nfs/dbraw/zinc/50/09/32/352500932.db2.gz YLYCYRHWLHVWRP-OPRDCNLKSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)C[NH2+]1 ZINC000638657776 352501099 /nfs/dbraw/zinc/50/10/99/352501099.db2.gz YLYCYRHWLHVWRP-LPEHRKFASA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H](C(=O)NCCOCCC[NH3+])N(C)C ZINC000638660648 352503480 /nfs/dbraw/zinc/50/34/80/352503480.db2.gz GSYPXTMLLCSGAW-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO C[NH2+]CCC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638668933 352511148 /nfs/dbraw/zinc/51/11/48/352511148.db2.gz SMEOUGFEBYTLBI-UHFFFAOYSA-N 1 3 249.314 0.717 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000638730348 352593472 /nfs/dbraw/zinc/59/34/72/352593472.db2.gz VOXBXTADWROICB-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040503520 352597790 /nfs/dbraw/zinc/59/77/90/352597790.db2.gz JGHQCVJSGDIWEX-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CN(C(=O)[C@@H]1CCC[NH2+]1)C1CCN(C)CC1 ZINC000040458336 352598164 /nfs/dbraw/zinc/59/81/64/352598164.db2.gz CLQNGOXEKWKANI-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO CN1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000042166025 352614733 /nfs/dbraw/zinc/61/47/33/352614733.db2.gz ADJCOAZYYRTSHB-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CCN1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000042170465 352615407 /nfs/dbraw/zinc/61/54/07/352615407.db2.gz GXCHKLLHYNBBAP-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000041680056 352615972 /nfs/dbraw/zinc/61/59/72/352615972.db2.gz CBPGIOGPKTVYAA-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526658 352654503 /nfs/dbraw/zinc/65/45/03/352654503.db2.gz LOCPKPORQOJDHK-ZYHUDNBSSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCCCC1 ZINC000044806754 352657294 /nfs/dbraw/zinc/65/72/94/352657294.db2.gz SFMPOWSGAZSAOW-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)Cc1ccccc1 ZINC000638773762 352719502 /nfs/dbraw/zinc/71/95/02/352719502.db2.gz QIGZOWJSLJUTSN-CYZMBNFOSA-N 1 3 247.342 0.423 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638767208 352706647 /nfs/dbraw/zinc/70/66/47/352706647.db2.gz AXANPWUKSHNJGK-QEYWKRMJSA-N 1 3 213.325 0.226 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)N(CC)CC ZINC000638767608 352708283 /nfs/dbraw/zinc/70/82/83/352708283.db2.gz HXBJKHSLPVJUSD-TUAOUCFPSA-N 1 3 241.379 0.973 20 0 BCADHO NCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000390153085 352932354 /nfs/dbraw/zinc/93/23/54/352932354.db2.gz VDUURZYRPMLTLW-UHFFFAOYSA-N 1 3 205.261 0.230 20 0 BCADHO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000638854625 353029271 /nfs/dbraw/zinc/02/92/71/353029271.db2.gz SAGNNPOYAMBHBM-SRVKXCTJSA-N 1 3 237.347 0.276 20 0 BCADHO CC[C@@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638880460 353048031 /nfs/dbraw/zinc/04/80/31/353048031.db2.gz LSUYVDVFBDAWEQ-CHWSQXEVSA-N 1 3 249.358 0.800 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC2(CCC2)C1 ZINC000638916992 353080724 /nfs/dbraw/zinc/08/07/24/353080724.db2.gz JHTWZERCWDHZNO-UWVGGRQHSA-N 1 3 235.331 0.221 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919434 353083720 /nfs/dbraw/zinc/08/37/20/353083720.db2.gz PFVOYCFBBNLVPH-AXFHLTTASA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000638924889 353085544 /nfs/dbraw/zinc/08/55/44/353085544.db2.gz HUKNDGTWFHOKNA-TUAOUCFPSA-N 1 3 239.363 0.535 20 0 BCADHO O=C(N1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(NC2CC2)CCC1 ZINC000638926153 353086721 /nfs/dbraw/zinc/08/67/21/353086721.db2.gz BWMFPHUKGPOFNI-TXEJJXNPSA-N 1 3 249.358 0.624 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)N(C)C ZINC000638933760 353096153 /nfs/dbraw/zinc/09/61/53/353096153.db2.gz ZQFHKOCVZAQVAM-OPRDCNLKSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638933907 353096777 /nfs/dbraw/zinc/09/67/77/353096777.db2.gz DAOIVDIDEZSJAU-WRWGMCAJSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000638937046 353100782 /nfs/dbraw/zinc/10/07/82/353100782.db2.gz DWMHTJOZKOHLPX-WYUUTHIRSA-N 1 3 237.347 0.337 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943094 353141464 /nfs/dbraw/zinc/14/14/64/353141464.db2.gz ODQHMJHAWQWHPM-GMTAPVOTSA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)CC1 ZINC000638942443 353136264 /nfs/dbraw/zinc/13/62/64/353136264.db2.gz HWJMJYPMIVBFAO-SRVKXCTJSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000370158363 188074387 /nfs/dbraw/zinc/07/43/87/188074387.db2.gz FMCHKZOETMXOMY-MXWKQRLJSA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967264 353175078 /nfs/dbraw/zinc/17/50/78/353175078.db2.gz LVKLESJCJSVOIV-OPRDCNLKSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261581734 535206095 /nfs/dbraw/zinc/20/60/95/535206095.db2.gz NVMXCCLTTKETMI-IVZWLZJFSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000040924908 188117877 /nfs/dbraw/zinc/11/78/77/188117877.db2.gz YQRJJVJXAYZDDE-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000040924908 188117878 /nfs/dbraw/zinc/11/78/78/188117878.db2.gz YQRJJVJXAYZDDE-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000336731321 188167312 /nfs/dbraw/zinc/16/73/12/188167312.db2.gz FEJCEYJZEIBGME-NXEZZACHSA-N 1 3 215.341 0.459 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236649700 188148978 /nfs/dbraw/zinc/14/89/78/188148978.db2.gz CJBNMXFCDQRIMV-SRVKXCTJSA-N 1 3 241.379 0.946 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)C12CCCN1CCC2 ZINC000422828608 192480961 /nfs/dbraw/zinc/48/09/61/192480961.db2.gz ONNXADMYWWADGR-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807164 188215767 /nfs/dbraw/zinc/21/57/67/188215767.db2.gz MJPYCUAYGGSXLM-JTQLQIEISA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000250067197 353267547 /nfs/dbraw/zinc/26/75/47/353267547.db2.gz NPEHFRDXZYORBE-GMTAPVOTSA-N 1 3 225.336 0.243 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639021901 353280081 /nfs/dbraw/zinc/28/00/81/353280081.db2.gz OIHVYZAFFDUIJS-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000336768968 353285507 /nfs/dbraw/zinc/28/55/07/353285507.db2.gz VEGOCFMUVUXJOB-DTWKUNHWSA-N 1 3 201.314 0.215 20 0 BCADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N ZINC000251786765 353288135 /nfs/dbraw/zinc/28/81/35/353288135.db2.gz NFMISMLWBUSGDI-ZJUUUORDSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(C)(C)N ZINC000251786765 353288138 /nfs/dbraw/zinc/28/81/38/353288138.db2.gz NFMISMLWBUSGDI-ZJUUUORDSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930663 188223006 /nfs/dbraw/zinc/22/30/06/188223006.db2.gz ICJBDDOUTDVTCA-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CCN1C ZINC000252151387 353296975 /nfs/dbraw/zinc/29/69/75/353296975.db2.gz OQVMXYUGNLLGJF-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO OC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000085283264 538116247 /nfs/dbraw/zinc/11/62/47/538116247.db2.gz MTTRUJGSUFTGNJ-PHIMTYICSA-N 1 3 210.321 0.443 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000572481626 324122279 /nfs/dbraw/zinc/12/22/79/324122279.db2.gz SLRIQLDIWYCSOC-SCVCMEIPSA-N 1 3 227.352 0.618 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000563809137 353536048 /nfs/dbraw/zinc/53/60/48/353536048.db2.gz NUJKOVIOINJHAC-TUAOUCFPSA-N 1 3 237.347 0.182 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193640669 353597067 /nfs/dbraw/zinc/59/70/67/353597067.db2.gz CVDXLALQVIQIDS-GHMZBOCLSA-N 1 3 227.352 0.583 20 0 BCADHO CCN1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062897068 353573524 /nfs/dbraw/zinc/57/35/24/353573524.db2.gz TYLPOTSIXRVRFG-CYBMUJFWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154020698 191287326 /nfs/dbraw/zinc/28/73/26/191287326.db2.gz XEPXWDWYHNHZFK-MMWGEVLESA-N 1 3 227.352 0.569 20 0 BCADHO C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H](C)N1 ZINC000153438920 363261259 /nfs/dbraw/zinc/26/12/59/363261259.db2.gz XSLWQRZCMCTVCU-PHIMTYICSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)[C@H]1C ZINC000343432621 353884414 /nfs/dbraw/zinc/88/44/14/353884414.db2.gz HHEMNJKRJVMOOC-RHYQMDGZSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H]1C ZINC000343442084 353889127 /nfs/dbraw/zinc/88/91/27/353889127.db2.gz RMBWKUFHDRSXQH-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)(O)CN1CCC([NH2+]CCF)CC1 ZINC000639133189 353842513 /nfs/dbraw/zinc/84/25/13/353842513.db2.gz IUTDLDKWXOCKCJ-UHFFFAOYSA-N 1 3 218.316 0.781 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000627106046 363265420 /nfs/dbraw/zinc/26/54/20/363265420.db2.gz FWCFRZOSSFQZJS-VWYCJHECSA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@H](N)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343644096 353951999 /nfs/dbraw/zinc/95/19/99/353951999.db2.gz QJFZSACOUCTGJX-ILDUYXDCSA-N 1 3 227.352 0.605 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627116629 363283701 /nfs/dbraw/zinc/28/37/01/363283701.db2.gz KNPWWHVVBOWQIH-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098269 358483937 /nfs/dbraw/zinc/48/39/37/358483937.db2.gz PSVQBWZUMVWJLV-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449668104 202000096 /nfs/dbraw/zinc/00/00/96/202000096.db2.gz SJYLOSAFWNOZII-IONNQARKSA-N 1 3 247.289 0.240 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CNCCC1(F)F ZINC000449668102 202000161 /nfs/dbraw/zinc/00/01/61/202000161.db2.gz SJYLOSAFWNOZII-CBAPKCEASA-N 1 3 247.289 0.240 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N(C)C ZINC000449723773 202008006 /nfs/dbraw/zinc/00/80/06/202008006.db2.gz MEJWKWBDAFGUBC-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000449727466 202009371 /nfs/dbraw/zinc/00/93/71/202009371.db2.gz PZDGABNLPMJJPH-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000449727464 202009495 /nfs/dbraw/zinc/00/94/95/202009495.db2.gz PZDGABNLPMJJPH-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000334581133 354199009 /nfs/dbraw/zinc/19/90/09/354199009.db2.gz LXYXRPLUQMIVPS-IUCAKERBSA-N 1 3 247.289 0.242 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627134545 363348366 /nfs/dbraw/zinc/34/83/66/363348366.db2.gz BNROKOCNDSKNER-LLVKDONJSA-N 1 3 240.351 0.213 20 0 BCADHO N[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)C1CCC1 ZINC000578011014 366176922 /nfs/dbraw/zinc/17/69/22/366176922.db2.gz LZQMALJYFFRFDD-KOLCDFICSA-N 1 3 225.336 0.230 20 0 BCADHO C[C@@H](CN1CCOCC1)N1CC[C@@](C)(C[NH3+])C1 ZINC000578013526 366179559 /nfs/dbraw/zinc/17/95/59/366179559.db2.gz RJWSQKWNLQNJHU-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@](C)(CN)C1 ZINC000578013526 366179568 /nfs/dbraw/zinc/17/95/68/366179568.db2.gz RJWSQKWNLQNJHU-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@](C)(CN)C1 ZINC000578013526 366179572 /nfs/dbraw/zinc/17/95/72/366179572.db2.gz RJWSQKWNLQNJHU-STQMWFEESA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC1CC[NH2+]CC1 ZINC000334662479 354462808 /nfs/dbraw/zinc/46/28/08/354462808.db2.gz DQDFFUVZTHZQOH-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1OCC[C@H]1[NH2+]CCOCCN(C)C ZINC000235601457 363448436 /nfs/dbraw/zinc/44/84/36/363448436.db2.gz HNPSSGQPSFLWLY-GHMZBOCLSA-N 1 3 216.325 0.332 20 0 BCADHO CC(C)[C@H](C(=O)N1CCNC(C)(C)C1)[C@@H](C)[NH3+] ZINC000335231298 355091805 /nfs/dbraw/zinc/09/18/05/355091805.db2.gz JBPAPPIPYILXPV-MNOVXSKESA-N 1 3 241.379 0.816 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCN2)c1 ZINC000335234086 355094520 /nfs/dbraw/zinc/09/45/20/355094520.db2.gz GKEJVGRJFZTXGE-LLVKDONJSA-N 1 3 219.288 0.754 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366963722 355157213 /nfs/dbraw/zinc/15/72/13/355157213.db2.gz RALGJZGJDOGSQX-QWRGUYRKSA-N 1 3 245.342 0.487 20 0 BCADHO CCC[C@@H]1C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000347008728 355202900 /nfs/dbraw/zinc/20/29/00/355202900.db2.gz SAXZWSLMMMLZBT-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CC(=O)NCCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113512592 355248360 /nfs/dbraw/zinc/24/83/60/355248360.db2.gz SNLKBGWBEMBDIT-GFCCVEGCSA-N 1 3 227.352 0.396 20 0 BCADHO CC(=O)NCCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113512592 355248362 /nfs/dbraw/zinc/24/83/62/355248362.db2.gz SNLKBGWBEMBDIT-GFCCVEGCSA-N 1 3 227.352 0.396 20 0 BCADHO C[C@H](C[NH3+])NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000347685310 355269305 /nfs/dbraw/zinc/26/93/05/355269305.db2.gz LCBCJRUMEVTCLL-OPRDCNLKSA-N 1 3 213.325 0.323 20 0 BCADHO C(CN1CCN(C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000084385222 355360796 /nfs/dbraw/zinc/36/07/96/355360796.db2.gz WLCDPDZNURGOMQ-GFCCVEGCSA-N 1 3 223.364 0.766 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N(C)C ZINC000422843121 192486842 /nfs/dbraw/zinc/48/68/42/192486842.db2.gz HCNMOAPVLULSNA-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)N(C)CC(=O)NCCOCC[NH+](C)C ZINC000349726505 355420135 /nfs/dbraw/zinc/42/01/35/355420135.db2.gz AOPFREVSNADDJE-UHFFFAOYSA-N 1 3 245.367 0.021 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)CN)C[C@@H]1C ZINC000335840526 355583775 /nfs/dbraw/zinc/58/37/75/355583775.db2.gz NOUYRNHHXIAQIU-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)CN)C[C@@H]1C ZINC000335840526 355583776 /nfs/dbraw/zinc/58/37/76/355583776.db2.gz NOUYRNHHXIAQIU-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CN(C(=O)[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000335852306 355596392 /nfs/dbraw/zinc/59/63/92/355596392.db2.gz VCJWZWHCAFHDPZ-PWSUYJOCSA-N 1 3 237.347 0.291 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000335857136 355602364 /nfs/dbraw/zinc/60/23/64/355602364.db2.gz JHSADGBQBPAINS-VHSXEESVSA-N 1 3 225.336 0.228 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCN(CC(C)C)CC1 ZINC000582186011 355660526 /nfs/dbraw/zinc/66/05/26/355660526.db2.gz JOOZWIYTHSWNCG-CYBMUJFWSA-N 1 3 243.395 0.230 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000417886840 355631992 /nfs/dbraw/zinc/63/19/92/355631992.db2.gz ZGUDSWHAQZDEOW-YWVKMMECSA-N 1 3 240.351 0.116 20 0 BCADHO CCCN1CCCN(C(=O)CCC[NH3+])CC1 ZINC000166588124 355710201 /nfs/dbraw/zinc/71/02/01/355710201.db2.gz LZQSEMVQSGOUCS-UHFFFAOYSA-N 1 3 227.352 0.670 20 0 BCADHO N[C@H](C(=O)NCCC[NH+]1CCCC1)C1CCC1 ZINC000399089747 355836968 /nfs/dbraw/zinc/83/69/68/355836968.db2.gz WAJFXNQILKDISR-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399089195 355836978 /nfs/dbraw/zinc/83/69/78/355836978.db2.gz SNUUCNKEJQXFNK-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167378836 355986768 /nfs/dbraw/zinc/98/67/68/355986768.db2.gz QSQIIHPWWANTLC-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCCNCC2)C1 ZINC000167399928 355988035 /nfs/dbraw/zinc/98/80/35/355988035.db2.gz XYNALZIXCXKFBT-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000617551742 356107999 /nfs/dbraw/zinc/10/79/99/356107999.db2.gz YHDRZQGIYSGOQP-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1 ZINC000617551742 356108003 /nfs/dbraw/zinc/10/80/03/356108003.db2.gz YHDRZQGIYSGOQP-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000351746862 356078929 /nfs/dbraw/zinc/07/89/29/356078929.db2.gz HWMLFGWYIYLFQT-GRYCIOLGSA-N 1 3 241.379 0.768 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351771643 356083137 /nfs/dbraw/zinc/08/31/37/356083137.db2.gz VTKWCRZHPKLIGK-MXWKQRLJSA-N 1 3 227.352 0.700 20 0 BCADHO Cn1cc(CC[N@H+]2CC[C@@]3(CCN(C)C3)C2)cn1 ZINC000335918415 356164132 /nfs/dbraw/zinc/16/41/32/356164132.db2.gz MFVCZWGZEJGHJL-CQSZACIVSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cc(CC[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cn1 ZINC000335918415 356164134 /nfs/dbraw/zinc/16/41/34/356164134.db2.gz MFVCZWGZEJGHJL-CQSZACIVSA-N 1 3 248.374 0.990 20 0 BCADHO [NH3+]C[C@H](NC(=O)C12CCCN1CCC2)C1CC1 ZINC000422862223 192490760 /nfs/dbraw/zinc/49/07/60/192490760.db2.gz PKBBNTQTBSDZGD-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333150715 356263377 /nfs/dbraw/zinc/26/33/77/356263377.db2.gz FDVCOXPKTZBACC-MNOVXSKESA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(C)(C)[NH3+] ZINC000336127630 134093523 /nfs/dbraw/zinc/09/35/23/134093523.db2.gz GAVWISNBIFVIQU-WPRPVWTQSA-N 1 3 225.336 0.323 20 0 BCADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617751761 356310897 /nfs/dbraw/zinc/31/08/97/356310897.db2.gz CGUYRWAGFRYXND-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC000617759507 356316347 /nfs/dbraw/zinc/31/63/47/356316347.db2.gz IRFFJMZHLYGGOH-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO NC(=O)[C@@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000134490398 181268157 /nfs/dbraw/zinc/26/81/57/181268157.db2.gz HFQBVJPQYZGVSC-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO CC(C)C(=O)NCCN(C)CC[C@@H]1CC[NH2+]C1 ZINC000420367579 192226003 /nfs/dbraw/zinc/22/60/03/192226003.db2.gz HBYVDNZZBWSKJT-LBPRGKRZSA-N 1 3 241.379 0.690 20 0 BCADHO CCNC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420329521 192230536 /nfs/dbraw/zinc/23/05/36/192230536.db2.gz OMOGCSYQJDKUAY-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO COCCCN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420365670 192224163 /nfs/dbraw/zinc/22/41/63/192224163.db2.gz LKIHDHNCILUKQU-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000420362916 192224389 /nfs/dbraw/zinc/22/43/89/192224389.db2.gz ZUYADNKUWRLVEL-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCCCNC(=O)CC[N@H+]1CC[C@H](N)[C@@H]1C ZINC000420362916 192224390 /nfs/dbraw/zinc/22/43/90/192224390.db2.gz ZUYADNKUWRLVEL-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCO[C@@H]1C[N@H+](CC(C)C)C[C@H]1CN ZINC000405589563 491095789 /nfs/dbraw/zinc/09/57/89/491095789.db2.gz MIZBONIMKZQEKH-GHMZBOCLSA-N 1 3 200.326 0.938 20 0 BCADHO CCO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1CN ZINC000405589563 491095793 /nfs/dbraw/zinc/09/57/93/491095793.db2.gz MIZBONIMKZQEKH-GHMZBOCLSA-N 1 3 200.326 0.938 20 0 BCADHO CCO[C@@H]1CN(CC(C)C)C[C@H]1C[NH3+] ZINC000405589563 491095795 /nfs/dbraw/zinc/09/57/95/491095795.db2.gz MIZBONIMKZQEKH-GHMZBOCLSA-N 1 3 200.326 0.938 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)N2CCCNCC2)C[NH2+]1 ZINC000627205541 363501911 /nfs/dbraw/zinc/50/19/11/363501911.db2.gz BSGNVFAJODOUGV-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO CC[C@@H](NC[C@@H](O)CN(C)C)[C@@H]1CCC[NH2+]1 ZINC000422980251 192516632 /nfs/dbraw/zinc/51/66/32/192516632.db2.gz OZBUHILMJAJWNB-UTUOFQBUSA-N 1 3 229.368 0.029 20 0 BCADHO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCN2)C1 ZINC000632868650 356641300 /nfs/dbraw/zinc/64/13/00/356641300.db2.gz UAVZLVVSVOAYDL-ZYHUDNBSSA-N 1 3 245.326 0.513 20 0 BCADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000639757419 356664009 /nfs/dbraw/zinc/66/40/09/356664009.db2.gz JBGMMRWYTHOHPL-UHFFFAOYSA-N 1 3 239.363 0.492 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000627226539 363555506 /nfs/dbraw/zinc/55/55/06/363555506.db2.gz NCHFJLYKVQCHFM-QWRGUYRKSA-N 1 3 240.351 0.071 20 0 BCADHO CC(C)[C@@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761940 356680299 /nfs/dbraw/zinc/68/02/99/356680299.db2.gz IBGZQFRUPZSOOE-QWHCGFSZSA-N 1 3 244.379 0.392 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000632881190 356665845 /nfs/dbraw/zinc/66/58/45/356665845.db2.gz ZAKMZEVQADUWKE-VHSXEESVSA-N 1 3 233.315 0.498 20 0 BCADHO C[C@H](O)CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764020 356690393 /nfs/dbraw/zinc/69/03/93/356690393.db2.gz SEDUNWUFCVMQAY-RYUDHWBXSA-N 1 3 230.352 0.146 20 0 BCADHO CC[C@](C)(O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767145 356696593 /nfs/dbraw/zinc/69/65/93/356696593.db2.gz PZHBZSFKYRYFNS-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO CCN1C[C@@H](C)N(CCOCC[NH3+])C[C@H]1C ZINC000578193721 366377676 /nfs/dbraw/zinc/37/76/76/366377676.db2.gz KRWWQJQZISOVAA-VXGBXAGGSA-N 1 3 229.368 0.376 20 0 BCADHO CN(C)C(=O)CCN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623387798 356919290 /nfs/dbraw/zinc/91/92/90/356919290.db2.gz WEOOTRKXDUXWLC-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CN(C)C(=O)CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623387798 356919294 /nfs/dbraw/zinc/91/92/94/356919294.db2.gz WEOOTRKXDUXWLC-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000582300349 357037141 /nfs/dbraw/zinc/03/71/41/357037141.db2.gz YCIPPMJNKXGECU-VWYCJHECSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H](O)C[C@H](C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000390679052 357110751 /nfs/dbraw/zinc/11/07/51/357110751.db2.gz WREYLYKUGVLJQU-JBLDHEPKSA-N 1 3 230.352 0.191 20 0 BCADHO C[C@H](O)C[C@H](C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000390679052 357110755 /nfs/dbraw/zinc/11/07/55/357110755.db2.gz WREYLYKUGVLJQU-JBLDHEPKSA-N 1 3 230.352 0.191 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)C(N)C(F)(F)F ZINC000582349783 357090222 /nfs/dbraw/zinc/09/02/22/357090222.db2.gz GUQHJRUFDZTQRO-SSDOTTSWSA-N 1 3 241.257 0.380 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000390407006 357097762 /nfs/dbraw/zinc/09/77/62/357097762.db2.gz VJQPYYAWIWLIMN-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000390407004 357097836 /nfs/dbraw/zinc/09/78/36/357097836.db2.gz VJQPYYAWIWLIMN-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[N@H+](C[C@@H](O)CNCCC(C)(C)O)C1CC1 ZINC000393759474 357296700 /nfs/dbraw/zinc/29/67/00/357296700.db2.gz VJNMCGUJQMXNLL-NSHDSACASA-N 1 3 230.352 0.192 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCCC(C)(C)O)C1CC1 ZINC000393759474 357296702 /nfs/dbraw/zinc/29/67/02/357296702.db2.gz VJNMCGUJQMXNLL-NSHDSACASA-N 1 3 230.352 0.192 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193566221 357261539 /nfs/dbraw/zinc/26/15/39/357261539.db2.gz IUGVXTLMVKZRLZ-BBBLOLIVSA-N 1 3 213.325 0.226 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000582617386 357354110 /nfs/dbraw/zinc/35/41/10/357354110.db2.gz VGLPPFYZNIJRJG-ONGXEEELSA-N 1 3 225.336 0.289 20 0 BCADHO CN(C)C[C@@H](O)C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623408517 357405695 /nfs/dbraw/zinc/40/56/95/357405695.db2.gz YVTXJHWIHXAAGY-RYUDHWBXSA-N 1 3 243.395 0.371 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)CNC1CC1 ZINC000582840107 357412745 /nfs/dbraw/zinc/41/27/45/357412745.db2.gz FNQSFSSTASCRIL-JTQLQIEISA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)(N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000582903534 357427216 /nfs/dbraw/zinc/42/72/16/357427216.db2.gz GKPKHTNXMJQWHQ-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@H+](C[C@H](O)CNCC1=CCOCC1)C1CC1 ZINC000397682835 357621757 /nfs/dbraw/zinc/62/17/57/357621757.db2.gz UVNHWGZHBXGFHD-CYBMUJFWSA-N 1 3 240.347 0.378 20 0 BCADHO C[N@@H+](C[C@H](O)CNCC1=CCOCC1)C1CC1 ZINC000397682835 357621759 /nfs/dbraw/zinc/62/17/59/357621759.db2.gz UVNHWGZHBXGFHD-CYBMUJFWSA-N 1 3 240.347 0.378 20 0 BCADHO Cn1nccc1CNCCOCC[NH+](C)C ZINC000231675957 357618535 /nfs/dbraw/zinc/61/85/35/357618535.db2.gz BRGAFDMSSPSVEI-UHFFFAOYSA-N 1 3 226.324 0.088 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000231676240 357619413 /nfs/dbraw/zinc/61/94/13/357619413.db2.gz BRIPWSTZDHTMBB-VXGBXAGGSA-N 1 3 230.352 0.722 20 0 BCADHO Cc1n[nH]cc1CNCCOCC[NH+](C)C ZINC000231676083 357619602 /nfs/dbraw/zinc/61/96/02/357619602.db2.gz XBCILAXEXJKIMW-UHFFFAOYSA-N 1 3 226.324 0.386 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CC2(O)CCN(C)CC2)CS1 ZINC000397584201 363588395 /nfs/dbraw/zinc/58/83/95/363588395.db2.gz GOBBRWRHISNXAM-QWRGUYRKSA-N 1 3 244.404 0.927 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000086070272 357818067 /nfs/dbraw/zinc/81/80/67/357818067.db2.gz NFRFNQJPOZEVNJ-MNOVXSKESA-N 1 3 227.352 0.395 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399082187 357895972 /nfs/dbraw/zinc/89/59/72/357895972.db2.gz SJTNNHGZFJYXED-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399082187 357895976 /nfs/dbraw/zinc/89/59/76/357895976.db2.gz SJTNNHGZFJYXED-ZYHUDNBSSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399074931 357895161 /nfs/dbraw/zinc/89/51/61/357895161.db2.gz PGBXTAREBUBFHU-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399074931 357895166 /nfs/dbraw/zinc/89/51/66/357895166.db2.gz PGBXTAREBUBFHU-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC1(C(=O)NCCN2CCCCCC2)C[NH2+]C1 ZINC000399295950 357901545 /nfs/dbraw/zinc/90/15/45/357901545.db2.gz VACUJYLDSICEQK-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NCCN(C)C2CC2)CC[NH2+]1 ZINC000235689583 357928271 /nfs/dbraw/zinc/92/82/71/357928271.db2.gz IXQMZZOYVCLSAY-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CCCNC1 ZINC000584463671 357979917 /nfs/dbraw/zinc/97/99/17/357979917.db2.gz DDDBTZSHAVLERN-DRZSPHRISA-N 1 3 226.364 0.983 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)NCCN(C)C ZINC000133595582 325302872 /nfs/dbraw/zinc/30/28/72/325302872.db2.gz PZYCDUMWFBQZLA-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NCCN(C)C ZINC000133595582 325302876 /nfs/dbraw/zinc/30/28/76/325302876.db2.gz PZYCDUMWFBQZLA-NSHDSACASA-N 1 3 244.383 0.578 20 0 BCADHO C[C@@H](CNC(=O)CC[NH2+]C1CC1)N(C)C1CC1 ZINC000219974445 358010550 /nfs/dbraw/zinc/01/05/50/358010550.db2.gz SIKXICSGAYJCQZ-JTQLQIEISA-N 1 3 239.363 0.727 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)NCCN(C)C ZINC000133671594 325307907 /nfs/dbraw/zinc/30/79/07/325307907.db2.gz GPYVFXVZFLPVGD-UHFFFAOYSA-N 1 3 244.383 0.579 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)NCCN(C)C ZINC000133671594 325307909 /nfs/dbraw/zinc/30/79/09/325307909.db2.gz GPYVFXVZFLPVGD-UHFFFAOYSA-N 1 3 244.383 0.579 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110387 134249361 /nfs/dbraw/zinc/24/93/61/134249361.db2.gz QBTROBOTBZDKHQ-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110387 134249362 /nfs/dbraw/zinc/24/93/62/134249362.db2.gz QBTROBOTBZDKHQ-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110653 134249703 /nfs/dbraw/zinc/24/97/03/134249703.db2.gz QBTROBOTBZDKHQ-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110653 134249704 /nfs/dbraw/zinc/24/97/04/134249704.db2.gz QBTROBOTBZDKHQ-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)N ZINC000168928832 134248158 /nfs/dbraw/zinc/24/81/58/134248158.db2.gz IYHHZVCEUGEVAL-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)N ZINC000168928832 134248159 /nfs/dbraw/zinc/24/81/59/134248159.db2.gz IYHHZVCEUGEVAL-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000583871180 358068319 /nfs/dbraw/zinc/06/83/19/358068319.db2.gz QBZJOVQJNNAWJN-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000583871179 358068370 /nfs/dbraw/zinc/06/83/70/358068370.db2.gz QBZJOVQJNNAWJN-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH+]1CCC(N(C)C(=O)CNC2CC2)CC1 ZINC000037609170 358083213 /nfs/dbraw/zinc/08/32/13/358083213.db2.gz AYOXMPRHARTGEJ-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)CNC1CC1 ZINC000037609199 358083234 /nfs/dbraw/zinc/08/32/34/358083234.db2.gz WBGIFCPSKQWAEF-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000669521376 491123111 /nfs/dbraw/zinc/12/31/11/491123111.db2.gz XSIRTDPMCMDPEZ-LPEHRKFASA-N 1 3 213.325 0.308 20 0 BCADHO CC[C@H](C(N)=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000224294053 358232675 /nfs/dbraw/zinc/23/26/75/358232675.db2.gz QIDNCFGJJNAGML-VHSXEESVSA-N 1 3 213.325 0.311 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624496 358244364 /nfs/dbraw/zinc/24/43/64/358244364.db2.gz OGZXGRVPMIYRHT-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624496 358244368 /nfs/dbraw/zinc/24/43/68/358244368.db2.gz OGZXGRVPMIYRHT-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO N[C@H](CC(=O)NCCCC[NH3+])c1ccccc1 ZINC000040832462 358246475 /nfs/dbraw/zinc/24/64/75/358246475.db2.gz VMYKSEZJSXOACJ-GFCCVEGCSA-N 1 3 235.331 0.932 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232633 491128520 /nfs/dbraw/zinc/12/85/20/491128520.db2.gz GLRSQOVRLCPKJW-GUBZILKMSA-N 1 3 213.325 0.310 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000226082811 358333738 /nfs/dbraw/zinc/33/37/38/358333738.db2.gz FILIGPTXBGHKEA-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN(CCN(C)C)C(=O)C1CC[NH2+]CC1 ZINC000041680235 358333974 /nfs/dbraw/zinc/33/39/74/358333974.db2.gz NRIOYKHLDRVGTO-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000226375333 358336957 /nfs/dbraw/zinc/33/69/57/358336957.db2.gz GPTCPCGXFIGKDT-LLVKDONJSA-N 1 3 212.337 0.833 20 0 BCADHO CC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000226375339 358337585 /nfs/dbraw/zinc/33/75/85/358337585.db2.gz GPTCPCGXFIGKDT-NSHDSACASA-N 1 3 212.337 0.833 20 0 BCADHO CC[N@H+](CCNC(=O)CNC1CC1)C1CC1 ZINC000229094085 358344777 /nfs/dbraw/zinc/34/47/77/358344777.db2.gz QYFUORZAGRBHPW-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CC[N@@H+](CCNC(=O)CNC1CC1)C1CC1 ZINC000229094085 358344779 /nfs/dbraw/zinc/34/47/79/358344779.db2.gz QYFUORZAGRBHPW-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO c1cn(CCCN[C@H]2CCC[NH2+]C2)cn1 ZINC000043325258 358372944 /nfs/dbraw/zinc/37/29/44/358372944.db2.gz UEIVADUFGWFGAO-NSHDSACASA-N 1 3 208.309 0.615 20 0 BCADHO C[C@H](CNC(=O)CCCC[NH3+])N(C)C1CC1 ZINC000227833482 358364589 /nfs/dbraw/zinc/36/45/89/358364589.db2.gz WAHBLHKTCXVMTN-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)C[NH3+])N(CC)CC ZINC000347688475 535425347 /nfs/dbraw/zinc/42/53/47/535425347.db2.gz MTZNAXNRHFCZHX-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044539004 358391193 /nfs/dbraw/zinc/39/11/93/358391193.db2.gz OPSVMRKQUWZLCQ-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044539004 358391197 /nfs/dbraw/zinc/39/11/97/358391197.db2.gz OPSVMRKQUWZLCQ-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CO[C@H]1CN(CCN2CC[NH2+]CC2)CC[C@@H]1C ZINC000230312655 358397578 /nfs/dbraw/zinc/39/75/78/358397578.db2.gz CYVDYUQFNDELQS-STQMWFEESA-N 1 3 241.379 0.248 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](C)C[NH3+] ZINC000045708984 358416069 /nfs/dbraw/zinc/41/60/69/358416069.db2.gz RDJBXCOCROBZNK-JTQLQIEISA-N 1 3 215.341 0.381 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(C)=O ZINC000125554369 358542270 /nfs/dbraw/zinc/54/22/70/358542270.db2.gz DEDALUOAGAOXES-CYBMUJFWSA-N 1 3 241.379 0.881 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(C)=O ZINC000125554369 358542273 /nfs/dbraw/zinc/54/22/73/358542273.db2.gz DEDALUOAGAOXES-CYBMUJFWSA-N 1 3 241.379 0.881 20 0 BCADHO Cn1ccnc1CNCC1CC[NH+](C)CC1 ZINC000044518331 358550131 /nfs/dbraw/zinc/55/01/31/358550131.db2.gz IJHQZCXANRTGIV-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794809 358553689 /nfs/dbraw/zinc/55/36/89/358553689.db2.gz YNAYMAZDMGLJSQ-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO CC[NH+]1CCC(NCCNC(=O)C2CC2)CC1 ZINC000130681479 358639608 /nfs/dbraw/zinc/63/96/08/358639608.db2.gz XMABNHHGQNFQRG-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559775 358695106 /nfs/dbraw/zinc/69/51/06/358695106.db2.gz WOMORZQQZXYRNU-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559677 358695134 /nfs/dbraw/zinc/69/51/34/358695134.db2.gz IBSKSKJEBVLHKB-GARJFASQSA-N 1 3 229.368 0.816 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559634 358695368 /nfs/dbraw/zinc/69/53/68/358695368.db2.gz XKPCFEPKSPLAQH-ZYHUDNBSSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H](C)N1 ZINC000131855222 358697808 /nfs/dbraw/zinc/69/78/08/358697808.db2.gz DKSUIFOQNQQCGZ-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2COCCO2)CC[N@@H+]1C ZINC000133879966 358771571 /nfs/dbraw/zinc/77/15/71/358771571.db2.gz NEOKTHDAJRDEDM-IJLUTSLNSA-N 1 3 228.336 0.474 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2COCCO2)CC[N@H+]1C ZINC000133879966 358771572 /nfs/dbraw/zinc/77/15/72/358771572.db2.gz NEOKTHDAJRDEDM-IJLUTSLNSA-N 1 3 228.336 0.474 20 0 BCADHO COC[C@@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000050120199 358717231 /nfs/dbraw/zinc/71/72/31/358717231.db2.gz NYTBWTGFXRODNW-OLZOCXBDSA-N 1 3 244.379 0.800 20 0 BCADHO COC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000050120199 358717236 /nfs/dbraw/zinc/71/72/36/358717236.db2.gz NYTBWTGFXRODNW-OLZOCXBDSA-N 1 3 244.379 0.800 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132931042 358740112 /nfs/dbraw/zinc/74/01/12/358740112.db2.gz BFDMCUGFKJVUTR-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132931042 358740113 /nfs/dbraw/zinc/74/01/13/358740113.db2.gz BFDMCUGFKJVUTR-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000132975153 358740895 /nfs/dbraw/zinc/74/08/95/358740895.db2.gz MNCNNPRXMOZKPN-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000132975153 358740899 /nfs/dbraw/zinc/74/08/99/358740899.db2.gz MNCNNPRXMOZKPN-SRVKXCTJSA-N 1 3 241.379 0.959 20 0 BCADHO CS(=O)(=O)CCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403377 358967652 /nfs/dbraw/zinc/96/76/52/358967652.db2.gz HFGPNBVYGRZNFA-VHSXEESVSA-N 1 3 234.365 0.281 20 0 BCADHO CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000086403377 358967654 /nfs/dbraw/zinc/96/76/54/358967654.db2.gz HFGPNBVYGRZNFA-VHSXEESVSA-N 1 3 234.365 0.281 20 0 BCADHO CS(=O)(=O)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403382 358967961 /nfs/dbraw/zinc/96/79/61/358967961.db2.gz HFGPNBVYGRZNFA-NXEZZACHSA-N 1 3 234.365 0.281 20 0 BCADHO CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000086403382 358967962 /nfs/dbraw/zinc/96/79/62/358967962.db2.gz HFGPNBVYGRZNFA-NXEZZACHSA-N 1 3 234.365 0.281 20 0 BCADHO COCCOCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000086403785 358968063 /nfs/dbraw/zinc/96/80/63/358968063.db2.gz DDNLZTCYDMPVTG-GHMZBOCLSA-N 1 3 216.325 0.509 20 0 BCADHO C[C@H](CCO)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086404788 358968192 /nfs/dbraw/zinc/96/81/92/358968192.db2.gz FEZLVVSPIUOKEM-VWYCJHECSA-N 1 3 200.326 0.864 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCn2cccn2)C1 ZINC000086403569 358968752 /nfs/dbraw/zinc/96/87/52/358968752.db2.gz IXCQEDLFJKORDB-MNOVXSKESA-N 1 3 208.309 0.743 20 0 BCADHO CNC(=O)CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000075860294 359230639 /nfs/dbraw/zinc/23/06/39/359230639.db2.gz QUWHKOPMHCEQGD-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CNC(=O)CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000075860294 359230642 /nfs/dbraw/zinc/23/06/42/359230642.db2.gz QUWHKOPMHCEQGD-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161583 359198376 /nfs/dbraw/zinc/19/83/76/359198376.db2.gz XUDWYTXXJQBJFB-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCC(=O)N(C)C)[C@@H](C)C1 ZINC000247161583 359198380 /nfs/dbraw/zinc/19/83/80/359198380.db2.gz XUDWYTXXJQBJFB-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H](N)C(C)C ZINC000087471650 366581581 /nfs/dbraw/zinc/58/15/81/366581581.db2.gz HIVSOOINKJPYQN-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000578524620 366590868 /nfs/dbraw/zinc/59/08/68/366590868.db2.gz LWEIALYXRIFJDQ-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000578868058 366661353 /nfs/dbraw/zinc/66/13/53/366661353.db2.gz OBDSILKYCFJVMO-UPJWGTAASA-N 1 3 241.379 0.376 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2CN(C)CCO2)CC1 ZINC000091666842 360122109 /nfs/dbraw/zinc/12/21/09/360122109.db2.gz HVEAXHKPISMNKE-ZDUSSCGKSA-N 1 3 241.379 0.391 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@@]2(O)CCOC2)CC1(C)C ZINC000623472945 360197635 /nfs/dbraw/zinc/19/76/35/360197635.db2.gz CGGIZKBNQPCTOX-AAEUAGOBSA-N 1 3 242.363 0.600 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@@]2(O)CCOC2)CC1(C)C ZINC000623472945 360197637 /nfs/dbraw/zinc/19/76/37/360197637.db2.gz CGGIZKBNQPCTOX-AAEUAGOBSA-N 1 3 242.363 0.600 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000092136974 360154180 /nfs/dbraw/zinc/15/41/80/360154180.db2.gz YRCCNJCLAISKJL-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@@H]1CCCN(C)C1 ZINC000626946081 360528757 /nfs/dbraw/zinc/52/87/57/360528757.db2.gz RDEJQQCQWNXTAH-SNVBAGLBSA-N 1 3 228.340 0.071 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000154732033 360848848 /nfs/dbraw/zinc/84/88/48/360848848.db2.gz KQJBUGZYMYKUAD-LPEHRKFASA-N 1 3 215.341 0.332 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000155428686 360880045 /nfs/dbraw/zinc/88/00/45/360880045.db2.gz OFIMMJQPHCFYLI-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNC(=O)C1CC1 ZINC000155428686 360880047 /nfs/dbraw/zinc/88/00/47/360880047.db2.gz OFIMMJQPHCFYLI-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO C[NH2+]CC1CCN(CCN2CCCC2=O)CC1 ZINC000430924736 192898054 /nfs/dbraw/zinc/89/80/54/192898054.db2.gz JAXCUGRIAAODSV-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CN(C)CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155773706 360918789 /nfs/dbraw/zinc/91/87/89/360918789.db2.gz QZXGXEBDDLRJKD-VXGBXAGGSA-N 1 3 211.353 0.764 20 0 BCADHO CN(C)CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155773706 360918793 /nfs/dbraw/zinc/91/87/93/360918793.db2.gz QZXGXEBDDLRJKD-VXGBXAGGSA-N 1 3 211.353 0.764 20 0 BCADHO [NH3+]CCCOCCNCc1ccccn1 ZINC000629398581 361048807 /nfs/dbraw/zinc/04/88/07/361048807.db2.gz VKFIUTLXTAUJTH-UHFFFAOYSA-N 1 3 209.293 0.537 20 0 BCADHO [NH3+]CCCOCCNCc1cnc2ccccn12 ZINC000629398751 361049424 /nfs/dbraw/zinc/04/94/24/361049424.db2.gz HJKVEORAZFAAGX-UHFFFAOYSA-N 1 3 248.330 0.789 20 0 BCADHO [NH3+]CCCOCCNCc1cncs1 ZINC000629399530 361050926 /nfs/dbraw/zinc/05/09/26/361050926.db2.gz TXQPGWZDCJGDIK-UHFFFAOYSA-N 1 3 215.322 0.598 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424141098 200867607 /nfs/dbraw/zinc/86/76/07/200867607.db2.gz GTFHQOUKBPYSJD-GRYCIOLGSA-N 1 3 237.347 0.278 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H]1CCCN1C ZINC000629519876 361120871 /nfs/dbraw/zinc/12/08/71/361120871.db2.gz RRVPKEYWBUVIMU-QNWHQSFQSA-N 1 3 241.379 0.423 20 0 BCADHO CCn1nncc1CN[C@H](CCC[NH3+])COC ZINC000629512261 361107546 /nfs/dbraw/zinc/10/75/46/361107546.db2.gz UEGPFJAHUKJTAS-SNVBAGLBSA-N 1 3 241.339 0.142 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCOCC1 ZINC000629519625 361120164 /nfs/dbraw/zinc/12/01/64/361120164.db2.gz BXUDCDYUNCZCMY-MNOVXSKESA-N 1 3 227.352 0.034 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519625 361120169 /nfs/dbraw/zinc/12/01/69/361120169.db2.gz BXUDCDYUNCZCMY-MNOVXSKESA-N 1 3 227.352 0.034 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361738906 181324176 /nfs/dbraw/zinc/32/41/76/181324176.db2.gz FYOFBDPWYAEAHR-SDDRHHMPSA-N 1 3 249.358 0.420 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361738906 181324180 /nfs/dbraw/zinc/32/41/80/181324180.db2.gz FYOFBDPWYAEAHR-SDDRHHMPSA-N 1 3 249.358 0.420 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000361738905 181323694 /nfs/dbraw/zinc/32/36/94/181323694.db2.gz FYOFBDPWYAEAHR-QJPTWQEYSA-N 1 3 249.358 0.420 20 0 BCADHO NC1(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000361738905 181323695 /nfs/dbraw/zinc/32/36/95/181323695.db2.gz FYOFBDPWYAEAHR-QJPTWQEYSA-N 1 3 249.358 0.420 20 0 BCADHO CCn1nncc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629513528 361111290 /nfs/dbraw/zinc/11/12/90/361111290.db2.gz YURXPAYTANULSZ-SDDRHHMPSA-N 1 3 249.362 0.776 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)C1CCN(C2CC2)CC1 ZINC000578986407 366686717 /nfs/dbraw/zinc/68/67/17/366686717.db2.gz YLZFHONHYHQMEA-JTQLQIEISA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[C@@H]1COCCN1 ZINC000629528050 361135220 /nfs/dbraw/zinc/13/52/20/361135220.db2.gz NNTILMXEHDCAKW-QNWHQSFQSA-N 1 3 241.379 0.484 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1ccncc1 ZINC000629530075 361147956 /nfs/dbraw/zinc/14/79/56/361147956.db2.gz UMIWYSAHIUMQKY-LLVKDONJSA-N 1 3 223.320 0.968 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1COCCN1C ZINC000629532656 361153832 /nfs/dbraw/zinc/15/38/32/361153832.db2.gz LFAFHZZEFINATA-AGIUHOORSA-N 1 3 241.379 0.295 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC[C@H]1COCCN1C ZINC000629532824 361156155 /nfs/dbraw/zinc/15/61/55/361156155.db2.gz VGVZTNUWQUANRL-DCAQKATOSA-N 1 3 215.341 0.032 20 0 BCADHO CN1CCOC[C@@H]1CN[C@H]1CCCCC[C@@H]1[NH3+] ZINC000629532919 361156283 /nfs/dbraw/zinc/15/62/83/361156283.db2.gz YIUYIPLDAGUKBQ-AVGNSLFASA-N 1 3 241.379 0.567 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000237805225 181328084 /nfs/dbraw/zinc/32/80/84/181328084.db2.gz WKQIUSKIWPXTAS-JTQLQIEISA-N 1 3 225.336 0.516 20 0 BCADHO COC[C@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000579103827 366710618 /nfs/dbraw/zinc/71/06/18/366710618.db2.gz UXUHOSPDLBXANO-QWHCGFSZSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000579103827 366710625 /nfs/dbraw/zinc/71/06/25/366710625.db2.gz UXUHOSPDLBXANO-QWHCGFSZSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000579103827 366710634 /nfs/dbraw/zinc/71/06/34/366710634.db2.gz UXUHOSPDLBXANO-QWHCGFSZSA-N 1 3 244.379 0.704 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000376990544 181328359 /nfs/dbraw/zinc/32/83/59/181328359.db2.gz JEUVRJSNXGJTNL-LLVKDONJSA-N 1 3 239.363 0.906 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363627 201011167 /nfs/dbraw/zinc/01/11/67/201011167.db2.gz ZNONNEOFXVWFCN-OUAUKWLOSA-N 1 3 225.336 0.419 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428413205 201013231 /nfs/dbraw/zinc/01/32/31/201013231.db2.gz OLXDFAMDUHJNFW-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428413217 201014115 /nfs/dbraw/zinc/01/41/15/201014115.db2.gz OLXDFAMDUHJNFW-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000622044526 370672780 /nfs/dbraw/zinc/67/27/80/370672780.db2.gz JBYMQHCDJQWYRT-UTUOFQBUSA-N 1 3 225.336 0.324 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2CN)C1 ZINC000622044526 370672785 /nfs/dbraw/zinc/67/27/85/370672785.db2.gz JBYMQHCDJQWYRT-UTUOFQBUSA-N 1 3 225.336 0.324 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000622044524 370673216 /nfs/dbraw/zinc/67/32/16/370673216.db2.gz JBYMQHCDJQWYRT-QJPTWQEYSA-N 1 3 225.336 0.324 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000622044524 370673221 /nfs/dbraw/zinc/67/32/21/370673221.db2.gz JBYMQHCDJQWYRT-QJPTWQEYSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H](C)C(C)(C)n1cncn1 ZINC000622044327 370675798 /nfs/dbraw/zinc/67/57/98/370675798.db2.gz AUYHQDVPRKRVSN-UWVGGRQHSA-N 1 3 225.340 0.729 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000622044449 370675999 /nfs/dbraw/zinc/67/59/99/370675999.db2.gz GAKOZCLFBHLHEN-GRYCIOLGSA-N 1 3 225.336 0.467 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000622044562 370676944 /nfs/dbraw/zinc/67/69/44/370676944.db2.gz KOHHRQASFIVUSE-UHTWSYAYSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]([NH3+])CCN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000622044482 370677138 /nfs/dbraw/zinc/67/71/38/370677138.db2.gz HPPGHLYDAIBBNI-ZMLRMANQSA-N 1 3 227.352 0.080 20 0 BCADHO C[C@H](Cc1cnccn1)NCC[C@H](C)[NH3+] ZINC000622044494 370677550 /nfs/dbraw/zinc/67/75/50/370677550.db2.gz IANBVASTGHWFPG-VHSXEESVSA-N 1 3 208.309 0.735 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)N(C)C ZINC000622045786 370680341 /nfs/dbraw/zinc/68/03/41/370680341.db2.gz ZAPXZGHEBRUHOT-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000147674450 181329429 /nfs/dbraw/zinc/32/94/29/181329429.db2.gz ZECYPNUATXVLCZ-QWRGUYRKSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000147674450 181329431 /nfs/dbraw/zinc/32/94/31/181329431.db2.gz ZECYPNUATXVLCZ-QWRGUYRKSA-N 1 3 237.347 0.611 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000428952926 201051111 /nfs/dbraw/zinc/05/11/11/201051111.db2.gz NBJNNHLHQPBMBQ-GARJFASQSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000428952928 201053131 /nfs/dbraw/zinc/05/31/31/201053131.db2.gz NBJNNHLHQPBMBQ-GMTAPVOTSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428954363 201053473 /nfs/dbraw/zinc/05/34/73/201053473.db2.gz IIEKNKOSGXTBCU-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428975271 201056316 /nfs/dbraw/zinc/05/63/16/201056316.db2.gz HENVMAJQPWKKOZ-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429033366 201062189 /nfs/dbraw/zinc/06/21/89/201062189.db2.gz FYANZCNTTOTSBL-LBPRGKRZSA-N 1 3 225.336 0.150 20 0 BCADHO CNC(=O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429033366 201062191 /nfs/dbraw/zinc/06/21/91/201062191.db2.gz FYANZCNTTOTSBL-LBPRGKRZSA-N 1 3 225.336 0.150 20 0 BCADHO NC1(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000336516942 181330852 /nfs/dbraw/zinc/33/08/52/181330852.db2.gz QYOKHBCSWGAVHZ-UHFFFAOYSA-N 1 3 225.336 0.646 20 0 BCADHO C[NH2+]CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000429077094 201065440 /nfs/dbraw/zinc/06/54/40/201065440.db2.gz GJFDJZPDHBXFOO-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)N(CC)CC ZINC000429066299 201066206 /nfs/dbraw/zinc/06/62/06/201066206.db2.gz SRKLGVCIBXFVAE-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)(C[NH3+])C(=O)NC[C@@H](N)c1ccccc1 ZINC000429102697 201068110 /nfs/dbraw/zinc/06/81/10/201068110.db2.gz AVUITMWVIGRAFS-LLVKDONJSA-N 1 3 235.331 0.788 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000429156112 201074554 /nfs/dbraw/zinc/07/45/54/201074554.db2.gz DSVIABNYWCJSCU-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000429189622 201078644 /nfs/dbraw/zinc/07/86/44/201078644.db2.gz CLKJHOKHHVAMDN-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000429239476 201082745 /nfs/dbraw/zinc/08/27/45/201082745.db2.gz QPVCEONDNUEIFP-QJPTWQEYSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000579332968 366760977 /nfs/dbraw/zinc/76/09/77/366760977.db2.gz IQYNLMYBZORWMS-WDEREUQCSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000579355339 366768206 /nfs/dbraw/zinc/76/82/06/366768206.db2.gz FSASBSPULWJEGN-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555709 361448558 /nfs/dbraw/zinc/44/85/58/361448558.db2.gz BECVGFBLDWRCDW-XQQFMLRXSA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629555709 361448559 /nfs/dbraw/zinc/44/85/59/361448559.db2.gz BECVGFBLDWRCDW-XQQFMLRXSA-N 1 3 241.379 0.303 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000579471826 366819785 /nfs/dbraw/zinc/81/97/85/366819785.db2.gz ASEDCELMLNXHDK-SDDRHHMPSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCCN(C)CC(F)F ZINC000629556778 361445446 /nfs/dbraw/zinc/44/54/46/361445446.db2.gz YMCPYHFVIJHDCS-BDAKNGLRSA-N 1 3 223.311 0.899 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542120 361417549 /nfs/dbraw/zinc/41/75/49/361417549.db2.gz YPCNFOHLKGZUPQ-WYUUTHIRSA-N 1 3 211.353 0.667 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@@H](OC)C1CCC1 ZINC000629570689 361460721 /nfs/dbraw/zinc/46/07/21/361460721.db2.gz BAMCIRIAGXTYPM-CYBMUJFWSA-N 1 3 244.379 0.969 20 0 BCADHO O[C@@H](C[NH2+]C1CC(F)(F)C1)CN1CCCC1 ZINC000629576669 361466464 /nfs/dbraw/zinc/46/64/64/361466464.db2.gz VLSATMVWLHPVNC-JTQLQIEISA-N 1 3 234.290 0.830 20 0 BCADHO C[C@H](F)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629580155 361466543 /nfs/dbraw/zinc/46/65/43/361466543.db2.gz NNMHMDWPJXDHDB-WDEREUQCSA-N 1 3 218.316 0.781 20 0 BCADHO CCO[C@H]1C[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629579834 361466550 /nfs/dbraw/zinc/46/65/50/361466550.db2.gz KAVQOHKVGCPHOF-RWMBFGLXSA-N 1 3 242.363 0.600 20 0 BCADHO CCn1nccc1CCN(C)CCOCC[NH3+] ZINC000629580986 361470860 /nfs/dbraw/zinc/47/08/60/361470860.db2.gz IWFYJCNFMSAUCL-UHFFFAOYSA-N 1 3 240.351 0.353 20 0 BCADHO C([C@H]1CCSC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000224617654 491158380 /nfs/dbraw/zinc/15/83/80/491158380.db2.gz CCFGJHWGJNKRNF-GMTAPVOTSA-N 1 3 212.362 0.891 20 0 BCADHO CC[C@H](C(=O)N(C)CCC[NH3+])N(C)C ZINC000629612560 361498782 /nfs/dbraw/zinc/49/87/82/361498782.db2.gz FQSWDYWLXJKEBM-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000629612581 361499100 /nfs/dbraw/zinc/49/91/00/361499100.db2.gz DQNYEWCWYQKUHL-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H](C[NH3+])C1)N(C)C ZINC000629612461 361499221 /nfs/dbraw/zinc/49/92/21/361499221.db2.gz DCIKYSOAYMFIJY-NXEZZACHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)N(C)C ZINC000629612701 361499233 /nfs/dbraw/zinc/49/92/33/361499233.db2.gz GKFSNMJRNAZIOM-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000629612714 361499341 /nfs/dbraw/zinc/49/93/41/361499341.db2.gz GRZKPYDEDSMYBG-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C(=O)NC1CC[NH2+]CC1)N(C)C ZINC000629610496 361500217 /nfs/dbraw/zinc/50/02/17/361500217.db2.gz DUMFGTMPYXPWEX-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)C[NH3+])N(C)C ZINC000629611771 361501644 /nfs/dbraw/zinc/50/16/44/361501644.db2.gz FLNFUNUVDSCLKQ-RKDXNWHRSA-N 1 3 201.314 0.038 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000629612038 361502776 /nfs/dbraw/zinc/50/27/76/361502776.db2.gz PVSKETONHJXMPU-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000629612000 361502869 /nfs/dbraw/zinc/50/28/69/361502869.db2.gz OGKTWTFCBIICAP-HBNTYKKESA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@@H](C(=O)NCC[NH2+]C1CC1)N(C)C ZINC000629615239 361504246 /nfs/dbraw/zinc/50/42/46/361504246.db2.gz TUIPPAJZBHSCIY-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)N(C)C ZINC000629615620 361505244 /nfs/dbraw/zinc/50/52/44/361505244.db2.gz WODQBZVDCTZIOZ-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000629613061 361506433 /nfs/dbraw/zinc/50/64/33/361506433.db2.gz KWSOZAQIWRVJPX-GARJFASQSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N(C)C ZINC000629613545 361507462 /nfs/dbraw/zinc/50/74/62/361507462.db2.gz CEEYAJIODVCRGV-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C(=O)NCC[C@@H]([NH3+])C(C)C)N(C)C ZINC000629613477 361507632 /nfs/dbraw/zinc/50/76/32/361507632.db2.gz OOPBZXAOVHNWKE-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](C(=O)N(C)CCC[NH2+]C)N(C)C ZINC000629613518 361507862 /nfs/dbraw/zinc/50/78/62/361507862.db2.gz BSGQYHOOUZOKML-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@H](C(=O)N1CC2CC1(C[NH3+])C2)N(C)C ZINC000629613652 361508040 /nfs/dbraw/zinc/50/80/40/361508040.db2.gz QFIDNHYWKXBZPA-SQLBVSGCSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)N(C)C ZINC000629613749 361508459 /nfs/dbraw/zinc/50/84/59/361508459.db2.gz SAZQKOFLEAVCAW-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC000629613754 361508477 /nfs/dbraw/zinc/50/84/77/361508477.db2.gz SBLRUXVDZLHHAQ-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H](CC)N(C)C ZINC000629614379 361510063 /nfs/dbraw/zinc/51/00/63/361510063.db2.gz ZVXJZCVXXHQYRU-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)N(C)C ZINC000629612371 361497874 /nfs/dbraw/zinc/49/78/74/361497874.db2.gz AZUPNRYEAFHJGL-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCOC)[C@H](C)C1 ZINC000152108346 201189663 /nfs/dbraw/zinc/18/96/63/201189663.db2.gz HMFIFEJCTXNYAI-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@H](NCCOC)[C@H](C)C1 ZINC000152108346 201189666 /nfs/dbraw/zinc/18/96/66/201189666.db2.gz HMFIFEJCTXNYAI-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CCCCN(C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000434678169 201231560 /nfs/dbraw/zinc/23/15/60/201231560.db2.gz CRTUJCIVPFVRPR-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000434697417 201235080 /nfs/dbraw/zinc/23/50/80/201235080.db2.gz ONEBIJKOORCXIB-SCVCMEIPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000434708093 201235708 /nfs/dbraw/zinc/23/57/08/201235708.db2.gz UISCCZSTPGPNRC-SRVKXCTJSA-N 1 3 241.379 0.829 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000155235095 201309441 /nfs/dbraw/zinc/30/94/41/201309441.db2.gz XGCGMFLQBMKCAB-BBBLOLIVSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H]1CN(CCC[NH2+]C)CCN1C[C@@H](C)O ZINC000435872906 201292376 /nfs/dbraw/zinc/29/23/76/201292376.db2.gz SIWSFGHGPQPUMQ-OLZOCXBDSA-N 1 3 243.395 0.373 20 0 BCADHO NCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826154 181347298 /nfs/dbraw/zinc/34/72/98/181347298.db2.gz PJAZOOSZWRDLKQ-UHFFFAOYSA-N 1 3 225.336 0.280 20 0 BCADHO NCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000237949403 181347890 /nfs/dbraw/zinc/34/78/90/181347890.db2.gz JKCWTONBHJBJTH-LLVKDONJSA-N 1 3 225.336 0.422 20 0 BCADHO NCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000237954229 181349704 /nfs/dbraw/zinc/34/97/04/181349704.db2.gz VCCRKWLSRAEDPU-LLVKDONJSA-N 1 3 225.336 0.280 20 0 BCADHO NCC(=O)N1C[C@H]([NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000364182652 181350163 /nfs/dbraw/zinc/35/01/63/181350163.db2.gz NKRBDNRILTUOIE-QWRGUYRKSA-N 1 3 237.278 0.038 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000627244726 363848386 /nfs/dbraw/zinc/84/83/86/363848386.db2.gz GTNOZCAPTZJRTJ-VPOLOUISSA-N 1 3 240.351 0.129 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)C1 ZINC000653111938 541310166 /nfs/dbraw/zinc/31/01/66/541310166.db2.gz HBLHHICKVRLEQO-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[C@@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605007 364323245 /nfs/dbraw/zinc/32/32/45/364323245.db2.gz GGDXRABDYWEFIQ-GXSJLCMTSA-N 1 3 223.324 0.686 20 0 BCADHO CC(C)[C@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630605017 364323671 /nfs/dbraw/zinc/32/36/71/364323671.db2.gz GGDXRABDYWEFIQ-ONGXEEELSA-N 1 3 223.324 0.686 20 0 BCADHO CC[C@@](C)(N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604488 364328757 /nfs/dbraw/zinc/32/87/57/364328757.db2.gz ALRSSPWUMSMGEW-MWLCHTKSSA-N 1 3 223.324 0.614 20 0 BCADHO [NH3+]CC1(O)CCN(CCc2cccnc2)CC1 ZINC000071546426 181361927 /nfs/dbraw/zinc/36/19/27/181361927.db2.gz GFEKCSHUZGSYPM-UHFFFAOYSA-N 1 3 235.331 0.410 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000247103347 364618826 /nfs/dbraw/zinc/61/88/26/364618826.db2.gz KQJBUGZYMYKUAD-KXUCPTDWSA-N 1 3 215.341 0.332 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328187964 364816515 /nfs/dbraw/zinc/81/65/15/364816515.db2.gz OPDRJIUDXFFHGY-IJLUTSLNSA-N 1 3 212.337 0.961 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000328187964 364816521 /nfs/dbraw/zinc/81/65/21/364816521.db2.gz OPDRJIUDXFFHGY-IJLUTSLNSA-N 1 3 212.337 0.961 20 0 BCADHO C[N@H+](C[C@H](O)CNC1CC(C)(F)C1)C1CC1 ZINC000573439462 364826194 /nfs/dbraw/zinc/82/61/94/364826194.db2.gz SMOPVBPZPNMCFN-CKBZRRDASA-N 1 3 230.327 0.922 20 0 BCADHO C[N@@H+](C[C@H](O)CNC1CC(C)(F)C1)C1CC1 ZINC000573439462 364826197 /nfs/dbraw/zinc/82/61/97/364826197.db2.gz SMOPVBPZPNMCFN-CKBZRRDASA-N 1 3 230.327 0.922 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000573441978 364833800 /nfs/dbraw/zinc/83/38/00/364833800.db2.gz QPWHTGBBKNVUBB-QWRGUYRKSA-N 1 3 227.352 0.476 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000573446125 364835333 /nfs/dbraw/zinc/83/53/33/364835333.db2.gz PLJOUUNFVCMIHV-GRYCIOLGSA-N 1 3 237.347 0.339 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000573487688 364845484 /nfs/dbraw/zinc/84/54/84/364845484.db2.gz JJTAVLNWGGFWTB-GMSGAONNSA-N 1 3 237.294 0.603 20 0 BCADHO [NH3+]CCCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375956579 181372356 /nfs/dbraw/zinc/37/23/56/181372356.db2.gz CZYRDFWMOGPTSD-ZDUSSCGKSA-N 1 3 247.342 0.729 20 0 BCADHO NC1(C(=O)NCCCC[NH3+])Cc2ccccc2C1 ZINC000364164715 181376568 /nfs/dbraw/zinc/37/65/68/181376568.db2.gz BPLRWEJTBGXBRX-UHFFFAOYSA-N 1 3 247.342 0.338 20 0 BCADHO CN[C@H](C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000574172772 365004402 /nfs/dbraw/zinc/00/44/02/365004402.db2.gz WAQIBYQTTWXAHI-BBBLOLIVSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@](C[NH3+])(NC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000574400212 365054067 /nfs/dbraw/zinc/05/40/67/365054067.db2.gz CMMFHMRAKLLTIJ-GMSGAONNSA-N 1 3 235.278 0.213 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284209 365028944 /nfs/dbraw/zinc/02/89/44/365028944.db2.gz PGNSQXUNFJHCHB-TUAOUCFPSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284209 365028952 /nfs/dbraw/zinc/02/89/52/365028952.db2.gz PGNSQXUNFJHCHB-TUAOUCFPSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@H](C)C[C@H](C)C1 ZINC000574284209 365028955 /nfs/dbraw/zinc/02/89/55/365028955.db2.gz PGNSQXUNFJHCHB-TUAOUCFPSA-N 1 3 214.353 0.935 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H](C)N1 ZINC000574319237 365036323 /nfs/dbraw/zinc/03/63/23/365036323.db2.gz PWDVMNDEUGLTJW-PRJMDXOYSA-N 1 3 235.278 0.178 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000574548561 365087630 /nfs/dbraw/zinc/08/76/30/365087630.db2.gz IRGFKGPGWIYIHH-WDEREUQCSA-N 1 3 227.352 0.490 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574573363 365088055 /nfs/dbraw/zinc/08/80/55/365088055.db2.gz KGXSSKVVWLCBJY-IUCAKERBSA-N 1 3 247.289 0.322 20 0 BCADHO COC[C@@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000574566840 365090297 /nfs/dbraw/zinc/09/02/97/365090297.db2.gz UXGVJSWWTNNXSY-LBPRGKRZSA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000574566840 365090301 /nfs/dbraw/zinc/09/03/01/365090301.db2.gz UXGVJSWWTNNXSY-LBPRGKRZSA-N 1 3 244.379 0.705 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000575173564 365226689 /nfs/dbraw/zinc/22/66/89/365226689.db2.gz BOPZJXMEFIINHB-YFKTTZPYSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[NH2+]1 ZINC000444177010 193040240 /nfs/dbraw/zinc/04/02/40/193040240.db2.gz SBCWHPPFBJVITQ-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO O=C(NCCN1CCCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444167462 193040345 /nfs/dbraw/zinc/04/03/45/193040345.db2.gz LPHDRAPAWSMLGR-DGCLKSJQSA-N 1 3 237.347 0.198 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)N(C)C ZINC000444187707 193041371 /nfs/dbraw/zinc/04/13/71/193041371.db2.gz SMKRKEOIYDMDMR-CKYFFXLPSA-N 1 3 225.336 0.052 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000444260798 193042628 /nfs/dbraw/zinc/04/26/28/193042628.db2.gz UEYRPIHKNYUHPA-GHMZBOCLSA-N 1 3 225.336 0.387 20 0 BCADHO CN[C@@H](C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000575934369 365420724 /nfs/dbraw/zinc/42/07/24/365420724.db2.gz LIWSHGOTRZGDFO-JTQLQIEISA-N 1 3 227.352 0.762 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000579590403 366894281 /nfs/dbraw/zinc/89/42/81/366894281.db2.gz DYMBZSJMTSKINK-YWVKMMECSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000579590401 366894287 /nfs/dbraw/zinc/89/42/87/366894287.db2.gz DYMBZSJMTSKINK-QXEWZRGKSA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000576106764 365488960 /nfs/dbraw/zinc/48/89/60/365488960.db2.gz LCQIKESMZZJJOL-AEJSXWLSSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000564567141 325795857 /nfs/dbraw/zinc/79/58/57/325795857.db2.gz LQUPHQPCZVVPIZ-QXEWZRGKSA-N 1 3 225.336 0.241 20 0 BCADHO CC[NH2+]CCCN[C@H]1CCN(CCOC)C1 ZINC000579701417 366982583 /nfs/dbraw/zinc/98/25/83/366982583.db2.gz ZWOHCTQXNPRPIG-LBPRGKRZSA-N 1 3 229.368 0.296 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183313687 367013614 /nfs/dbraw/zinc/01/36/14/367013614.db2.gz AXRAXGUTAIGODW-JTQLQIEISA-N 1 3 227.352 0.476 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941857 367210921 /nfs/dbraw/zinc/21/09/21/367210921.db2.gz DNHRBKRKFALMLI-UTUOFQBUSA-N 1 3 239.363 0.633 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000381712137 367450602 /nfs/dbraw/zinc/45/06/02/367450602.db2.gz KLHWWMNGHHVGFE-KOLCDFICSA-N 1 3 213.325 0.324 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000382547442 367535849 /nfs/dbraw/zinc/53/58/49/367535849.db2.gz GHFLPXKSNIVANU-GRYCIOLGSA-N 1 3 230.352 0.491 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@H](C)NC2CC2)CC1 ZINC000382947527 367571808 /nfs/dbraw/zinc/57/18/08/367571808.db2.gz KQBMASGEOURQDY-JTQLQIEISA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000581547725 367575069 /nfs/dbraw/zinc/57/50/69/367575069.db2.gz SWVFLCPDGMCZAQ-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)NCCN1CCCC1 ZINC000383123590 367598487 /nfs/dbraw/zinc/59/84/87/367598487.db2.gz HCBWIPXDXHRKJL-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)NC1CC1)[N@H+](C)C1CC1 ZINC000383302655 367611856 /nfs/dbraw/zinc/61/18/56/367611856.db2.gz HSQSWZAJXNQQNB-NXEZZACHSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)NC1CC1)[N@@H+](C)C1CC1 ZINC000383302655 367611859 /nfs/dbraw/zinc/61/18/59/367611859.db2.gz HSQSWZAJXNQQNB-NXEZZACHSA-N 1 3 239.363 0.726 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CC[NH2+]1 ZINC000384765029 367728554 /nfs/dbraw/zinc/72/85/54/367728554.db2.gz AVOYRUFXLHWAIY-LLVKDONJSA-N 1 3 227.352 0.395 20 0 BCADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CC[NH2+]1 ZINC000384827396 367737961 /nfs/dbraw/zinc/73/79/61/367737961.db2.gz XXKUXBKNQAIFNO-CYBMUJFWSA-N 1 3 247.342 0.726 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H](N)C(C)(C)C ZINC000581727326 367792259 /nfs/dbraw/zinc/79/22/59/367792259.db2.gz ZSUTXHLMYDPZEL-KXUCPTDWSA-N 1 3 227.352 0.474 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000566200465 326011828 /nfs/dbraw/zinc/01/18/28/326011828.db2.gz WGVXFYTVSMJUBL-IUCAKERBSA-N 1 3 213.325 0.099 20 0 BCADHO C[NH+](C)C[C@H](O)CNC[C@H](O)CC1CCCC1 ZINC000566233323 326019690 /nfs/dbraw/zinc/01/96/90/326019690.db2.gz JPDRYCBIKYLHCM-CHWSQXEVSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)[C@@H]1CCCCN1 ZINC000386022012 367898618 /nfs/dbraw/zinc/89/86/18/367898618.db2.gz OVSFSHHCVITDHH-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)[C@H]1CCCCN1 ZINC000386022006 367898919 /nfs/dbraw/zinc/89/89/19/367898919.db2.gz OVSFSHHCVITDHH-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000386620897 368003478 /nfs/dbraw/zinc/00/34/78/368003478.db2.gz YEFAKYWGYIPQPM-UTUOFQBUSA-N 1 3 230.352 0.504 20 0 BCADHO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)[C@H](C)O ZINC000386935712 368036512 /nfs/dbraw/zinc/03/65/12/368036512.db2.gz SNIDWNKOEMJOCO-GRYCIOLGSA-N 1 3 230.352 0.192 20 0 BCADHO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)[C@H](C)O ZINC000386935717 368037181 /nfs/dbraw/zinc/03/71/81/368037181.db2.gz SNIDWNKOEMJOCO-WOPDTQHZSA-N 1 3 230.352 0.192 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCCN(C(C)C)CC1 ZINC000566293721 326029730 /nfs/dbraw/zinc/02/97/30/326029730.db2.gz BSVXDQOORZSEKP-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(COC)CC1 ZINC000566350904 326035100 /nfs/dbraw/zinc/03/51/00/326035100.db2.gz COGWWCMXOLCTMM-GFCCVEGCSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCN(C)C ZINC000387410278 368172265 /nfs/dbraw/zinc/17/22/65/368172265.db2.gz CNKOZLPXZDMXEK-JTQLQIEISA-N 1 3 229.368 0.688 20 0 BCADHO CN(C)CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000446619467 201689662 /nfs/dbraw/zinc/68/96/62/201689662.db2.gz GCOCRDMWCXXKGQ-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO [NH3+]C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000082259252 368661980 /nfs/dbraw/zinc/66/19/80/368661980.db2.gz HZGOJJKBUZPAGD-SNVBAGLBSA-N 1 3 211.309 0.078 20 0 BCADHO O[C@@H](CNCC1(O)CCCC1)C[NH+]1CCCC1 ZINC000087028960 368887918 /nfs/dbraw/zinc/88/79/18/368887918.db2.gz CYCOPGUJKRPPNP-LBPRGKRZSA-N 1 3 242.363 0.338 20 0 BCADHO N[C@H]1CCCCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631835436 369043694 /nfs/dbraw/zinc/04/36/94/369043694.db2.gz UUSKAIQIAMKSBK-RYUDHWBXSA-N 1 3 249.362 0.969 20 0 BCADHO N[C@H]1CCCCC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000631835436 369043699 /nfs/dbraw/zinc/04/36/99/369043699.db2.gz UUSKAIQIAMKSBK-RYUDHWBXSA-N 1 3 249.362 0.969 20 0 BCADHO COC[C@H](CN1C[C@@H](C[NH3+])[C@H](C)C1)OC ZINC000631837420 369098719 /nfs/dbraw/zinc/09/87/19/369098719.db2.gz SBEHLQKRGJHXPM-MXWKQRLJSA-N 1 3 216.325 0.174 20 0 BCADHO COC[C@H](C[N@H+]1C[C@@H](CN)[C@H](C)C1)OC ZINC000631837420 369098723 /nfs/dbraw/zinc/09/87/23/369098723.db2.gz SBEHLQKRGJHXPM-MXWKQRLJSA-N 1 3 216.325 0.174 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@@H](CN)[C@H](C)C1)OC ZINC000631837420 369098726 /nfs/dbraw/zinc/09/87/26/369098726.db2.gz SBEHLQKRGJHXPM-MXWKQRLJSA-N 1 3 216.325 0.174 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000567673231 326242762 /nfs/dbraw/zinc/24/27/62/326242762.db2.gz HVZWPIKUBGHEHQ-IUCAKERBSA-N 1 3 211.309 0.111 20 0 BCADHO COC[C@@H](O)CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000567683669 326244933 /nfs/dbraw/zinc/24/49/33/326244933.db2.gz UTCFRUGCHXGKIO-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@@H](O)C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000567683669 326244936 /nfs/dbraw/zinc/24/49/36/326244936.db2.gz UTCFRUGCHXGKIO-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000404906488 369438872 /nfs/dbraw/zinc/43/88/72/369438872.db2.gz YWVTWGVTKLUCJW-SRVKXCTJSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000567811710 326261627 /nfs/dbraw/zinc/26/16/27/326261627.db2.gz AZPLPOHBHYXZFP-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CCCC2=O)CC[N@@H+]1C ZINC000405427174 369459784 /nfs/dbraw/zinc/45/97/84/369459784.db2.gz HWZJCMGKDWSAPI-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1C[C@@H](NCCN2CCCC2=O)CC[N@H+]1C ZINC000405427174 369459789 /nfs/dbraw/zinc/45/97/89/369459789.db2.gz HWZJCMGKDWSAPI-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@H](N)C[C@H]1C ZINC000631861973 369475022 /nfs/dbraw/zinc/47/50/22/369475022.db2.gz KGSUWZQXJCPKAQ-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@H](N)C[C@H]1C ZINC000631861973 369475026 /nfs/dbraw/zinc/47/50/26/369475026.db2.gz KGSUWZQXJCPKAQ-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000619900443 369632457 /nfs/dbraw/zinc/63/24/57/369632457.db2.gz VLNPZGXKIYKILX-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000619900443 369632462 /nfs/dbraw/zinc/63/24/62/369632462.db2.gz VLNPZGXKIYKILX-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000568050856 326300461 /nfs/dbraw/zinc/30/04/61/326300461.db2.gz JTCFBRMOEVCEHP-NEPJUHHUSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000568050856 326300463 /nfs/dbraw/zinc/30/04/63/326300463.db2.gz JTCFBRMOEVCEHP-NEPJUHHUSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H](C)[NH2+]1 ZINC000620904524 370052274 /nfs/dbraw/zinc/05/22/74/370052274.db2.gz PGMXOKNWDBLGSO-NWDGAFQWSA-N 1 3 241.379 0.926 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CO)[C@H]1C ZINC000568181186 326321742 /nfs/dbraw/zinc/32/17/42/326321742.db2.gz MZCXNXPJVVAYNQ-AGIUHOORSA-N 1 3 244.379 0.392 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](CO)[C@H]1C ZINC000568181186 326321744 /nfs/dbraw/zinc/32/17/44/326321744.db2.gz MZCXNXPJVVAYNQ-AGIUHOORSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)[C@@H]1CN(C(=O)CN(C)C(C)C)CC[NH2+]1 ZINC000621152217 370125642 /nfs/dbraw/zinc/12/56/42/370125642.db2.gz RWBQBMLYIRLPTG-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCN2C)CC[NH2+]1 ZINC000621152892 370125887 /nfs/dbraw/zinc/12/58/87/370125887.db2.gz GZOMLWGFISPBMJ-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCN2C)CC[NH2+]1 ZINC000621152893 370125953 /nfs/dbraw/zinc/12/59/53/370125953.db2.gz GZOMLWGFISPBMJ-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)N(C)C ZINC000621155837 370128859 /nfs/dbraw/zinc/12/88/59/370128859.db2.gz MZSWCCZLCWUSTN-NEPJUHHUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H](C(=O)N1CCN2CCC[C@H]2C1)C1C[NH2+]C1 ZINC000253176744 370155917 /nfs/dbraw/zinc/15/59/17/370155917.db2.gz QAKWGDWYLJOSCB-PWSUYJOCSA-N 1 3 237.347 0.149 20 0 BCADHO COCCSCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309650901 370239674 /nfs/dbraw/zinc/23/96/74/370239674.db2.gz OBHSSZZIRAGXCK-VXGBXAGGSA-N 1 3 244.404 0.907 20 0 BCADHO COCCSCCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000309650899 370239945 /nfs/dbraw/zinc/23/99/45/370239945.db2.gz OBHSSZZIRAGXCK-TXEJJXNPSA-N 1 3 244.404 0.907 20 0 BCADHO CSCC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309831906 370265529 /nfs/dbraw/zinc/26/55/29/370265529.db2.gz YSSRKLMYRRIFJL-DTWKUNHWSA-N 1 3 233.381 0.166 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621684504 370434697 /nfs/dbraw/zinc/43/46/97/370434697.db2.gz NIMLWGATBSDWNQ-SOCHQFKDSA-N 1 3 247.289 0.309 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684483 370434790 /nfs/dbraw/zinc/43/47/90/370434790.db2.gz NCXARTRULDICJQ-CWSCBRNRSA-N 1 3 239.363 0.700 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621686663 370436674 /nfs/dbraw/zinc/43/66/74/370436674.db2.gz WSBYPNBNJHLYFG-WCFLWFBJSA-N 1 3 239.363 0.844 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690156 370439324 /nfs/dbraw/zinc/43/93/24/370439324.db2.gz QFQRTKJRZCUBLI-YPMHNXCESA-N 1 3 239.363 0.668 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621785011 370537940 /nfs/dbraw/zinc/53/79/40/370537940.db2.gz XSVQCGNSSZLQOO-CMPLNLGQSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2(N)C1 ZINC000621785011 370537942 /nfs/dbraw/zinc/53/79/42/370537942.db2.gz XSVQCGNSSZLQOO-CMPLNLGQSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000569230405 326395387 /nfs/dbraw/zinc/39/53/87/326395387.db2.gz WNBNJEXCSGXQDN-FIQHERPVSA-N 1 3 241.379 0.768 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@@H](O)C2)CCN1C ZINC000624228535 371417599 /nfs/dbraw/zinc/41/75/99/371417599.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228535 371417602 /nfs/dbraw/zinc/41/76/02/371417602.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228535 371417606 /nfs/dbraw/zinc/41/76/06/371417606.db2.gz VDJHLJIOBJBOQB-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000162073537 371608050 /nfs/dbraw/zinc/60/80/50/371608050.db2.gz LZMPBGQNMXCZNP-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)C1CCN(C)CC1 ZINC000631748593 372549570 /nfs/dbraw/zinc/54/95/70/372549570.db2.gz BCDYXCHVMBCIJG-CYZMBNFOSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C[C@H]1CCc2ncnn21 ZINC000631822449 372598670 /nfs/dbraw/zinc/59/86/70/372598670.db2.gz DJRLOQLKAGJWHT-GMTAPVOTSA-N 1 3 235.335 0.435 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C[C@@H]1CCc2ncnn21 ZINC000631822450 372599049 /nfs/dbraw/zinc/59/90/49/372599049.db2.gz DJRLOQLKAGJWHT-MXWKQRLJSA-N 1 3 235.335 0.435 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C[C@H]1CCc2ncnn21 ZINC000631826765 372606294 /nfs/dbraw/zinc/60/62/94/372606294.db2.gz WLMTWVDUCFWYTH-VXGBXAGGSA-N 1 3 249.362 0.969 20 0 BCADHO C[C@@H]1OCC[C@H]1CN1CC2CC1(C[NH3+])C2 ZINC000631829623 372609639 /nfs/dbraw/zinc/60/96/39/372609639.db2.gz WHYUPSGIEMQMJQ-VOBJUBJWSA-N 1 3 210.321 0.835 20 0 BCADHO C[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631828844 372610736 /nfs/dbraw/zinc/61/07/36/372610736.db2.gz ZUIAANGCMZJLGM-UTUOFQBUSA-N 1 3 249.362 0.682 20 0 BCADHO C[C@@H]1OCC[C@@H]1CNC1(CO)CC[NH2+]CC1 ZINC000631829487 372611654 /nfs/dbraw/zinc/61/16/54/372611654.db2.gz RIMYQELMCDSSKB-WDEREUQCSA-N 1 3 228.336 0.116 20 0 BCADHO C[C@H]1OCC[C@H]1CN1CC2CC1(C[NH3+])C2 ZINC000631829624 372611937 /nfs/dbraw/zinc/61/19/37/372611937.db2.gz WHYUPSGIEMQMJQ-ZYGVAYEYSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C[C@H]2CNCCO2)C1 ZINC000631835065 372620603 /nfs/dbraw/zinc/62/06/03/372620603.db2.gz LMJRZIRLLKXXDU-VXGBXAGGSA-N 1 3 227.352 0.178 20 0 BCADHO C[C@@H]1OCC[C@@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861697 372663183 /nfs/dbraw/zinc/66/31/83/372663183.db2.gz HFGUZXLZRVJTRP-NWDGAFQWSA-N 1 3 242.363 0.458 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCN(C2CC2)C1 ZINC000044726698 182017977 /nfs/dbraw/zinc/01/79/77/182017977.db2.gz PVGSQDHCMWNFJX-QWRGUYRKSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000249733168 182017988 /nfs/dbraw/zinc/01/79/88/182017988.db2.gz BXOHPQBETDFVMX-RYUDHWBXSA-N 1 3 237.347 0.435 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632877941 373202807 /nfs/dbraw/zinc/20/28/07/373202807.db2.gz OEMRDTVXUKIANY-PWSUYJOCSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632877939 373204476 /nfs/dbraw/zinc/20/44/76/373204476.db2.gz OEMRDTVXUKIANY-CMPLNLGQSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000376694167 182199190 /nfs/dbraw/zinc/19/91/90/182199190.db2.gz FGYUIADVUDOUEK-CMPLNLGQSA-N 1 3 243.326 0.194 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@]1(F)CCNC1 ZINC000376694169 182202035 /nfs/dbraw/zinc/20/20/35/182202035.db2.gz FGYUIADVUDOUEK-PWSUYJOCSA-N 1 3 243.326 0.194 20 0 BCADHO O[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000424379452 206039496 /nfs/dbraw/zinc/03/94/96/206039496.db2.gz OVKIQCBOMNCDLK-FXVHWTKVSA-N 1 3 210.321 0.772 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)C1CC[NH2+]CC1 ZINC000044726732 182301438 /nfs/dbraw/zinc/30/14/38/182301438.db2.gz XXDVKJTUFHWOOT-LLVKDONJSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H](NC(=O)C[C@H](N)c1ccccc1)[C@H](C)[NH3+] ZINC000449598943 206099858 /nfs/dbraw/zinc/09/98/58/206099858.db2.gz DVGOYZIOTNLMRE-UMNHJUIQSA-N 1 3 235.331 0.928 20 0 BCADHO O=C(Nc1cccc2c1CNCC2)C1C[NH2+]C1 ZINC000375959246 182373250 /nfs/dbraw/zinc/37/32/50/182373250.db2.gz SKOFIFSUMQYEGJ-UHFFFAOYSA-N 1 3 231.299 0.490 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000178406960 134309926 /nfs/dbraw/zinc/30/99/26/134309926.db2.gz MUCAYRYJAHVLEL-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C(N)C(F)(F)F ZINC000353189218 168963842 /nfs/dbraw/zinc/96/38/42/168963842.db2.gz UFNHLRWYYPKUKL-BQBZGAKWSA-N 1 3 241.257 0.510 20 0 BCADHO OCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000250830293 183078995 /nfs/dbraw/zinc/07/89/95/183078995.db2.gz IVFHBQQDANQSIB-IJLUTSLNSA-N 1 3 212.337 0.879 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359381637 169005694 /nfs/dbraw/zinc/00/56/94/169005694.db2.gz BXNZRZKILKTZLA-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO CCCC[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000336774352 169005849 /nfs/dbraw/zinc/00/58/49/169005849.db2.gz ZLGMDMHXMZIUNR-QMMMGPOBSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000309408464 169006164 /nfs/dbraw/zinc/00/61/64/169006164.db2.gz IFDVUPHNUFNRPP-BBBLOLIVSA-N 1 3 213.325 0.452 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000336741322 169007435 /nfs/dbraw/zinc/00/74/35/169007435.db2.gz NDATXLTWNPVCPO-VHSXEESVSA-N 1 3 213.325 0.357 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643489 169007967 /nfs/dbraw/zinc/00/79/67/169007967.db2.gz WDTGCNHBASYULQ-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643489 169007970 /nfs/dbraw/zinc/00/79/70/169007970.db2.gz WDTGCNHBASYULQ-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CNCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178809229 134315027 /nfs/dbraw/zinc/31/50/27/134315027.db2.gz OELFNEGXEWMWAT-LLVKDONJSA-N 1 3 225.336 0.150 20 0 BCADHO CCCN(C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000358552815 169065095 /nfs/dbraw/zinc/06/50/95/169065095.db2.gz BRTWKFBAQHVLSD-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO O[C@H](C[NH2+]CC1=CCCOC1)CN1CCCC1 ZINC000343686706 183223180 /nfs/dbraw/zinc/22/31/80/183223180.db2.gz CQSXZOPFDQUKEI-CYBMUJFWSA-N 1 3 240.347 0.379 20 0 BCADHO O[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415288 183252028 /nfs/dbraw/zinc/25/20/28/183252028.db2.gz VCUGZOOXABFCSJ-AGIUHOORSA-N 1 3 240.347 0.354 20 0 BCADHO O[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOC1 ZINC000300415288 183252031 /nfs/dbraw/zinc/25/20/31/183252031.db2.gz VCUGZOOXABFCSJ-AGIUHOORSA-N 1 3 240.347 0.354 20 0 BCADHO CCC[NH+]1CCC(N(C)C(=O)CN)CC1 ZINC000038100741 169186741 /nfs/dbraw/zinc/18/67/41/169186741.db2.gz XXZQEWPVIYSAQZ-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CCC[NH+]1CCC(NCCCO)CC1 ZINC000020187805 169188578 /nfs/dbraw/zinc/18/85/78/169188578.db2.gz TXDKVXZHKXHXPG-UHFFFAOYSA-N 1 3 200.326 0.833 20 0 BCADHO CCC[NH+]1CCC(N[C@H](C)CO)CC1 ZINC000035603649 169190345 /nfs/dbraw/zinc/19/03/45/169190345.db2.gz HDVQBQZZACARKK-SNVBAGLBSA-N 1 3 200.326 0.831 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC[NH2+]C ZINC000236764285 169195266 /nfs/dbraw/zinc/19/52/66/169195266.db2.gz JMFUJCAPKZXPGU-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC ZINC000358950057 169200735 /nfs/dbraw/zinc/20/07/35/169200735.db2.gz WKZMQCXPNKMQBO-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000353651016 169208958 /nfs/dbraw/zinc/20/89/58/169208958.db2.gz YEBJHPPRVQWTDQ-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000353651016 169208959 /nfs/dbraw/zinc/20/89/59/169208959.db2.gz YEBJHPPRVQWTDQ-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000353651016 169208960 /nfs/dbraw/zinc/20/89/60/169208960.db2.gz YEBJHPPRVQWTDQ-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CNCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178809236 134315412 /nfs/dbraw/zinc/31/54/12/134315412.db2.gz OELFNEGXEWMWAT-NSHDSACASA-N 1 3 225.336 0.150 20 0 BCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N ZINC000178865807 134315580 /nfs/dbraw/zinc/31/55/80/134315580.db2.gz MAZZLTPCOXFHBY-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N ZINC000178865807 134315581 /nfs/dbraw/zinc/31/55/81/134315581.db2.gz MAZZLTPCOXFHBY-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CCC[C@@H](N)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364646818 169386873 /nfs/dbraw/zinc/38/68/73/169386873.db2.gz NWMFDAGBHWYOOT-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224022804 134344572 /nfs/dbraw/zinc/34/45/72/134344572.db2.gz NELSQUQBGKDPMQ-SDDRHHMPSA-N 1 3 230.352 0.456 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224022804 134344573 /nfs/dbraw/zinc/34/45/73/134344573.db2.gz NELSQUQBGKDPMQ-SDDRHHMPSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@@H]1CN(CCOCC[NH3+])CCS1 ZINC000133085566 171081876 /nfs/dbraw/zinc/08/18/76/171081876.db2.gz CHHPPCFPGYWOHV-SNVBAGLBSA-N 1 3 218.366 0.789 20 0 BCADHO Cn1nncc1CNCC1(C)CC[NH+](C)CC1 ZINC000227327331 134378307 /nfs/dbraw/zinc/37/83/07/134378307.db2.gz RYADPLROIOOTRE-UHFFFAOYSA-N 1 3 237.351 0.637 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000648124832 383849922 /nfs/dbraw/zinc/84/99/22/383849922.db2.gz CXLAJNZRLBVHID-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)COCCN(C)CCOCC[NH3+] ZINC000301050140 383881028 /nfs/dbraw/zinc/88/10/28/383881028.db2.gz SDOKDCLMJNYERX-UHFFFAOYSA-N 1 3 218.341 0.566 20 0 BCADHO CC[C@@H]1CN(C(=O)C2(N)CCCC2)CC[C@@H]1[NH3+] ZINC000648126045 383983057 /nfs/dbraw/zinc/98/30/57/383983057.db2.gz YURHIDVJXIUHCR-MNOVXSKESA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@H]1NCCc2ccccc21 ZINC000357237156 383966576 /nfs/dbraw/zinc/96/65/76/383966576.db2.gz GHOKVZJMNQAXNP-ZWNOBZJWSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000566295675 383974347 /nfs/dbraw/zinc/97/43/47/383974347.db2.gz DXBRVEGUTKNDRU-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186843863 384053447 /nfs/dbraw/zinc/05/34/47/384053447.db2.gz LZYDPAJLMKJWID-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186843878 384053152 /nfs/dbraw/zinc/05/31/52/384053152.db2.gz LZYDPAJLMKJWID-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@]1(CNC(=O)[C@@H](N)CC(F)F)CCC[NH2+]C1 ZINC000569456165 384060940 /nfs/dbraw/zinc/06/09/40/384060940.db2.gz VYNXCPNIJDFCFA-KWQFWETISA-N 1 3 249.305 0.475 20 0 BCADHO C[NH2+]CCCN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000517373046 384063841 /nfs/dbraw/zinc/06/38/41/384063841.db2.gz AHWSRIMKWCYFQZ-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000517373046 384063844 /nfs/dbraw/zinc/06/38/44/384063844.db2.gz AHWSRIMKWCYFQZ-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CNCCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000517373046 384063846 /nfs/dbraw/zinc/06/38/46/384063846.db2.gz AHWSRIMKWCYFQZ-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000449381355 384098098 /nfs/dbraw/zinc/09/80/98/384098098.db2.gz RSWFMIDGLQJYMJ-CHWFTXMASA-N 1 3 225.336 0.051 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000569482547 384107280 /nfs/dbraw/zinc/10/72/80/384107280.db2.gz MVZKNDOIDWYQSV-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])N(C)C1CC1 ZINC000235483415 384249027 /nfs/dbraw/zinc/24/90/27/384249027.db2.gz KKKUIRQKPRMSLH-BBBLOLIVSA-N 1 3 227.352 0.569 20 0 BCADHO CCN(CC)CC(=O)NCC[NH2+]C(C)(C)C ZINC000174239009 384312651 /nfs/dbraw/zinc/31/26/51/384312651.db2.gz NTADPQUJDXNAQS-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(N)CC1 ZINC000237548284 384279823 /nfs/dbraw/zinc/27/98/23/384279823.db2.gz NBWWPAZRYQPODY-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(N)CC1 ZINC000237548284 384279830 /nfs/dbraw/zinc/27/98/30/384279830.db2.gz NBWWPAZRYQPODY-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CN(C(=O)C1(C)C[NH2+]C1)C1CCN(C)CC1 ZINC000335495837 384300721 /nfs/dbraw/zinc/30/07/21/384300721.db2.gz NSDDKBLENHLFKA-UHFFFAOYSA-N 1 3 225.336 0.149 20 0 BCADHO c1ncn(CCN[C@H]2CCC[NH2+]CC2)n1 ZINC000331497554 384332091 /nfs/dbraw/zinc/33/20/91/384332091.db2.gz NXTFGNCLOOAAES-JTQLQIEISA-N 1 3 209.297 0.010 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCCNCC1)[C@@H](C)[NH3+] ZINC000335603407 384376366 /nfs/dbraw/zinc/37/63/66/384376366.db2.gz HSCQFFCCSHMCCU-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000248862946 384388012 /nfs/dbraw/zinc/38/80/12/384388012.db2.gz MOWZMTUENHNZKD-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000565539957 384430569 /nfs/dbraw/zinc/43/05/69/384430569.db2.gz RWWVGVVQIZCLHO-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000082645452 384439095 /nfs/dbraw/zinc/43/90/95/384439095.db2.gz XYBLZQQHYSDWIU-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000249027684 384463294 /nfs/dbraw/zinc/46/32/94/384463294.db2.gz LREFDHZQOFQHFJ-RCWTZXSCSA-N 1 3 239.363 0.711 20 0 BCADHO C([C@@H]1CCSC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000224617521 384473125 /nfs/dbraw/zinc/47/31/25/384473125.db2.gz CCFGJHWGJNKRNF-GARJFASQSA-N 1 3 212.362 0.891 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180588 384475307 /nfs/dbraw/zinc/47/53/07/384475307.db2.gz ITIPILGKDUMDGG-WDEREUQCSA-N 1 3 239.363 0.761 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180644 384477002 /nfs/dbraw/zinc/47/70/02/384477002.db2.gz KOTGDVYJRLGBOL-UWVGGRQHSA-N 1 3 225.336 0.515 20 0 BCADHO COC[C@@H](O)CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000569595766 384486190 /nfs/dbraw/zinc/48/61/90/384486190.db2.gz UXUHOSPDLBXANO-STQMWFEESA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@@H](O)CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000569595766 384486196 /nfs/dbraw/zinc/48/61/96/384486196.db2.gz UXUHOSPDLBXANO-STQMWFEESA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000569595766 384486199 /nfs/dbraw/zinc/48/61/99/384486199.db2.gz UXUHOSPDLBXANO-STQMWFEESA-N 1 3 244.379 0.704 20 0 BCADHO CC[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000036871135 384459165 /nfs/dbraw/zinc/45/91/65/384459165.db2.gz ISHZIVULAGXKMC-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO CN(C(=O)[C@@H]1CNCCC1(F)F)C1CC([NH3+])C1 ZINC000648146731 384495768 /nfs/dbraw/zinc/49/57/68/384495768.db2.gz ASDADWBRYRIOGB-HACHORDNSA-N 1 3 247.289 0.179 20 0 BCADHO CN(C(=O)[C@@H](N)CC(F)F)[C@H](C[NH3+])C1CC1 ZINC000648176580 384497432 /nfs/dbraw/zinc/49/74/32/384497432.db2.gz CJFRBENJCJHORA-JGVFFNPUSA-N 1 3 235.278 0.165 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648147006 384501271 /nfs/dbraw/zinc/50/12/71/384501271.db2.gz SXGZXUAYZMYGDP-WQAKAFBOSA-N 1 3 243.310 0.979 20 0 BCADHO C(C[C@@H]1CCOC1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000400602318 384521272 /nfs/dbraw/zinc/52/12/72/384521272.db2.gz TWXJQQOYPMJJSN-UPJWGTAASA-N 1 3 224.348 0.954 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236624689 384536320 /nfs/dbraw/zinc/53/63/20/384536320.db2.gz PHGCJHRLZJBWFF-ZDUSSCGKSA-N 1 3 241.379 0.818 20 0 BCADHO NC1(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000648147388 384527646 /nfs/dbraw/zinc/52/76/46/384527646.db2.gz UATZSJIXCBTHIP-NSHDSACASA-N 1 3 239.363 0.906 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH3+] ZINC000236649293 384542706 /nfs/dbraw/zinc/54/27/06/384542706.db2.gz FKOSJRFNOXSUKC-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000561194540 384555844 /nfs/dbraw/zinc/55/58/44/384555844.db2.gz NFMUBNWFIOILHR-GWOFURMSSA-N 1 3 225.336 0.193 20 0 BCADHO CC(C)(C)CCN1CCN(C(=O)CC[NH3+])CC1 ZINC000236606293 384537484 /nfs/dbraw/zinc/53/74/84/384537484.db2.gz CXDWFPHMYMQCDO-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CC(=O)NC(CC)(CC)C[NH3+] ZINC000236841705 384590839 /nfs/dbraw/zinc/59/08/39/384590839.db2.gz SANKNNRGMJTFMP-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000236837706 384588658 /nfs/dbraw/zinc/58/86/58/384588658.db2.gz MOJPXQXOBSUCEP-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC[NH2+]CC ZINC000151330201 384563739 /nfs/dbraw/zinc/56/37/39/384563739.db2.gz FKBQYYJKFPSIOP-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+][C@H](C)[C@@H](C)O ZINC000647530372 384608662 /nfs/dbraw/zinc/60/86/62/384608662.db2.gz AOINIOVZZQSQEU-IJLUTSLNSA-N 1 3 232.368 0.438 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000309787000 384609093 /nfs/dbraw/zinc/60/90/93/384609093.db2.gz OIYXQJZKXPUITQ-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+]C[C@@H](C)O ZINC000647530391 384609530 /nfs/dbraw/zinc/60/95/30/384609530.db2.gz DLGPJPVCSLHKDO-GHMZBOCLSA-N 1 3 218.341 0.050 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000236837934 384593743 /nfs/dbraw/zinc/59/37/43/384593743.db2.gz MOJPXQXOBSUCEP-GFCCVEGCSA-N 1 3 241.379 0.786 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000517961955 384597868 /nfs/dbraw/zinc/59/78/68/384597868.db2.gz UYVDQFWRUZJLOF-WCFLWFBJSA-N 1 3 247.342 0.466 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOC[C@H]1CCCO1 ZINC000569349545 384640310 /nfs/dbraw/zinc/64/03/10/384640310.db2.gz LLZNAMVQXCSXOI-YNEHKIRRSA-N 1 3 242.363 0.899 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000569349545 384640332 /nfs/dbraw/zinc/64/03/32/384640332.db2.gz LLZNAMVQXCSXOI-YNEHKIRRSA-N 1 3 242.363 0.899 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449595562 384653890 /nfs/dbraw/zinc/65/38/90/384653890.db2.gz UPIPMFDCNKRXJO-YIZRAAEISA-N 1 3 201.314 0.212 20 0 BCADHO Cn1nncc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545772 384725647 /nfs/dbraw/zinc/72/56/47/384725647.db2.gz PUBKILNSYWAKNS-NWDGAFQWSA-N 1 3 249.362 0.637 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000449603442 384685498 /nfs/dbraw/zinc/68/54/98/384685498.db2.gz QUGQRAXEWMLJDR-NAKRPEOUSA-N 1 3 227.352 0.711 20 0 BCADHO C[NH+](C)CCC1CCN(CCOCCO)CC1 ZINC000304328267 384688435 /nfs/dbraw/zinc/68/84/35/384688435.db2.gz UROFZOWMLCGNSY-UHFFFAOYSA-N 1 3 244.379 0.659 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000335416575 384729928 /nfs/dbraw/zinc/72/99/28/384729928.db2.gz HXNFBILGTYTOGR-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[NH2+]1 ZINC000648156236 384749653 /nfs/dbraw/zinc/74/96/53/384749653.db2.gz KRSBHHPZMUYQFU-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](NC[C@@H]2C[C@H](F)CN2)C1 ZINC000647548027 384750138 /nfs/dbraw/zinc/75/01/38/384750138.db2.gz SEYYVZJVNVLPDY-MMWGEVLESA-N 1 3 215.316 0.274 20 0 BCADHO CC[C@H](N)C(=O)NCCCC[NH+](CC)CC ZINC000083357036 384761595 /nfs/dbraw/zinc/76/15/95/384761595.db2.gz DORBMQXVGYJRIN-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC(F)F)[N@H+](C)C1CC1 ZINC000310066526 384822479 /nfs/dbraw/zinc/82/24/79/384822479.db2.gz BSCATRJKRPRUPY-APPZFPTMSA-N 1 3 249.305 0.568 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC(F)F)[N@@H+](C)C1CC1 ZINC000310066526 384822488 /nfs/dbraw/zinc/82/24/88/384822488.db2.gz BSCATRJKRPRUPY-APPZFPTMSA-N 1 3 249.305 0.568 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC1(C[NH3+])CC1 ZINC000335044566 384823564 /nfs/dbraw/zinc/82/35/64/384823564.db2.gz KTUWLCBVKCCYEX-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368381339 384824229 /nfs/dbraw/zinc/82/42/29/384824229.db2.gz XNVNLUYSKNLHMS-ZYHUDNBSSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000518188258 384784518 /nfs/dbraw/zinc/78/45/18/384784518.db2.gz LQOQSUQYCHQVDQ-BIIVOSGPSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000335462972 384794060 /nfs/dbraw/zinc/79/40/60/384794060.db2.gz IUBMYEQRLIWILE-VIFPVBQESA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(N)CCCC1 ZINC000648187913 384799430 /nfs/dbraw/zinc/79/94/30/384799430.db2.gz CGMXHSBJTAXIOJ-BDAKNGLRSA-N 1 3 213.325 0.500 20 0 BCADHO C[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000083847016 384804822 /nfs/dbraw/zinc/80/48/22/384804822.db2.gz IQQSQWNUGKQBDL-OFLUOSHYSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H](N)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000083847016 384804824 /nfs/dbraw/zinc/80/48/24/384804824.db2.gz IQQSQWNUGKQBDL-OFLUOSHYSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H](CC[NH+](C)C)N[C@H](C)CC(N)=O ZINC000308558993 384805695 /nfs/dbraw/zinc/80/56/95/384805695.db2.gz CXEMYHLHEBTWJL-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCNC(C)(C)C1 ZINC000557190142 384872956 /nfs/dbraw/zinc/87/29/56/384872956.db2.gz DUCCLZWBXKIPII-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205617 384840069 /nfs/dbraw/zinc/84/00/69/384840069.db2.gz JTZDUZUEUOWPLJ-VHSXEESVSA-N 1 3 225.336 0.515 20 0 BCADHO CN(C(=O)[C@H]1NCCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000565765478 384956801 /nfs/dbraw/zinc/95/68/01/384956801.db2.gz QXZNKYMAZAYEMB-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO NC[C@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178531023 384958783 /nfs/dbraw/zinc/95/87/83/384958783.db2.gz NUSSYEPFHJLROF-YPMHNXCESA-N 1 3 247.342 0.536 20 0 BCADHO NC[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178531011 384958821 /nfs/dbraw/zinc/95/88/21/384958821.db2.gz NUSSYEPFHJLROF-DGCLKSJQSA-N 1 3 247.342 0.536 20 0 BCADHO CN1CCC(C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000257747088 384925069 /nfs/dbraw/zinc/92/50/69/384925069.db2.gz XTHQLHNXADJQIW-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@@H](C)N)c1 ZINC000237107214 384928109 /nfs/dbraw/zinc/92/81/09/384928109.db2.gz WPVODTLUMIXHFU-MRVPVSSYSA-N 1 3 207.277 0.692 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000258884555 384945666 /nfs/dbraw/zinc/94/56/66/384945666.db2.gz USJPFFFPWOYMMN-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H](O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000644570866 384968868 /nfs/dbraw/zinc/96/88/68/384968868.db2.gz HDHBWGGKPWDLJI-NEPJUHHUSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)N(C)C1CC1 ZINC000226398821 385006615 /nfs/dbraw/zinc/00/66/15/385006615.db2.gz ZGOLJVGELNXKHG-GXFFZTMASA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)C1CC[NH2+]CC1)N(C)C1CC1 ZINC000226398465 385007495 /nfs/dbraw/zinc/00/74/95/385007495.db2.gz FNEAFFQNOFWTIA-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[N@H+](C)C1CC1 ZINC000226399249 385007520 /nfs/dbraw/zinc/00/75/20/385007520.db2.gz ORXXPUXECONJMZ-GXSJLCMTSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000226399249 385007524 /nfs/dbraw/zinc/00/75/24/385007524.db2.gz ORXXPUXECONJMZ-GXSJLCMTSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)C[NH3+])N(C)C1CC1 ZINC000226398877 385007842 /nfs/dbraw/zinc/00/78/42/385007842.db2.gz IAOMCVWFVBYGKY-VIFPVBQESA-N 1 3 227.352 0.570 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000226394890 385009332 /nfs/dbraw/zinc/00/93/32/385009332.db2.gz AUGYUSCLOPLOFF-JQWIXIFHSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCNC[C@@H]2C(F)F)CC[NH2+]1 ZINC000516650340 385010231 /nfs/dbraw/zinc/01/02/31/385010231.db2.gz KJHGXPIDFSTOEI-OUAUKWLOSA-N 1 3 247.333 0.913 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN(C)CCOC ZINC000449118896 385062697 /nfs/dbraw/zinc/06/26/97/385062697.db2.gz ZWWDUXAILSSDPU-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO CN(C)CCSCC(=O)NCCC[NH+](C)C ZINC000109151211 385066225 /nfs/dbraw/zinc/06/62/25/385066225.db2.gz TYYVFQLZWSGPBU-UHFFFAOYSA-N 1 3 247.408 0.349 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000564931629 385081381 /nfs/dbraw/zinc/08/13/81/385081381.db2.gz JVKNFRXJFDQDJP-QJPTWQEYSA-N 1 3 237.347 0.149 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000564931632 385081848 /nfs/dbraw/zinc/08/18/48/385081848.db2.gz JVKNFRXJFDQDJP-UTUOFQBUSA-N 1 3 237.347 0.149 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000157216962 385114139 /nfs/dbraw/zinc/11/41/39/385114139.db2.gz KEUUDIOARBLLSM-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CC1([NH3+])CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000646993369 385122556 /nfs/dbraw/zinc/12/25/56/385122556.db2.gz SXGUZSZLRPTQNF-ZCFIWIBFSA-N 1 3 239.241 0.216 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC000646991669 385125435 /nfs/dbraw/zinc/12/54/35/385125435.db2.gz JSGYIHAAXXDNEK-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368226165 385133242 /nfs/dbraw/zinc/13/32/42/385133242.db2.gz MVFTVTHGMVRHNQ-DCAQKATOSA-N 1 3 225.336 0.180 20 0 BCADHO CC[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH3+] ZINC000647009789 385135438 /nfs/dbraw/zinc/13/54/38/385135438.db2.gz IYRRTQRTTOUAAZ-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO COCCOCCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000404887993 385137040 /nfs/dbraw/zinc/13/70/40/385137040.db2.gz JRULVOSNHZZWDG-VHSXEESVSA-N 1 3 216.325 0.365 20 0 BCADHO COCCOCC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000404887993 385137046 /nfs/dbraw/zinc/13/70/46/385137046.db2.gz JRULVOSNHZZWDG-VHSXEESVSA-N 1 3 216.325 0.365 20 0 BCADHO CC[C@H]1CN(C(=O)C2(N)CCC2)CC[C@H]1[NH3+] ZINC000647006129 385140597 /nfs/dbraw/zinc/14/05/97/385140597.db2.gz LJDWMCACCGZWTP-VHSXEESVSA-N 1 3 225.336 0.454 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)C2CCC2)CC[C@@H]1[NH3+] ZINC000647005501 385140851 /nfs/dbraw/zinc/14/08/51/385140851.db2.gz AXSDTHJKXVMPIU-ADEWGFFLSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2NCC2(C)C)CC[NH2+]1 ZINC000647018265 385142819 /nfs/dbraw/zinc/14/28/19/385142819.db2.gz XFWVFSASUSNMTF-UTLUCORTSA-N 1 3 225.336 0.241 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOCC(F)F ZINC000404882361 385143115 /nfs/dbraw/zinc/14/31/15/385143115.db2.gz GQSAQRUUAHUNIP-SFYZADRCSA-N 1 3 222.279 0.984 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOCC(F)F ZINC000404882361 385143122 /nfs/dbraw/zinc/14/31/22/385143122.db2.gz GQSAQRUUAHUNIP-SFYZADRCSA-N 1 3 222.279 0.984 20 0 BCADHO O=C(NCCNc1ccncc1)C1CC[NH2+]CC1 ZINC000569336151 385145639 /nfs/dbraw/zinc/14/56/39/385145639.db2.gz UPJMCLDLISDLGO-UHFFFAOYSA-N 1 3 248.330 0.031 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000647020797 385149195 /nfs/dbraw/zinc/14/91/95/385149195.db2.gz MVPATAPCZLIGKR-MWLCHTKSSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000647020795 385149541 /nfs/dbraw/zinc/14/95/41/385149541.db2.gz MVPATAPCZLIGKR-GXSJLCMTSA-N 1 3 227.352 0.748 20 0 BCADHO CC[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000647643738 385154805 /nfs/dbraw/zinc/15/48/05/385154805.db2.gz QKHGVBBFIQHKQA-LLVKDONJSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000647022840 385156099 /nfs/dbraw/zinc/15/60/99/385156099.db2.gz HXVAJJKTSYGZFU-KCJUWKMLSA-N 1 3 239.294 0.331 20 0 BCADHO C[NH+](C)CCC1CCN([C@H]2CCNC2=O)CC1 ZINC000178192639 385200402 /nfs/dbraw/zinc/20/04/02/385200402.db2.gz BQOUGMPLBHBTTP-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246385320 385162757 /nfs/dbraw/zinc/16/27/57/385162757.db2.gz BNWBCLOOZVWAIW-WOPDTQHZSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246385320 385162763 /nfs/dbraw/zinc/16/27/63/385162763.db2.gz BNWBCLOOZVWAIW-WOPDTQHZSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000647030177 385163611 /nfs/dbraw/zinc/16/36/11/385163611.db2.gz GWSUIFHFHBDFDP-ZYHUDNBSSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000336379369 385208176 /nfs/dbraw/zinc/20/81/76/385208176.db2.gz RIDWUEQWRPWVGC-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246747294 385227331 /nfs/dbraw/zinc/22/73/31/385227331.db2.gz ZMLYDHBTEYQVGX-DCAQKATOSA-N 1 3 227.352 0.665 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246747294 385227337 /nfs/dbraw/zinc/22/73/37/385227337.db2.gz ZMLYDHBTEYQVGX-DCAQKATOSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404996615 385232952 /nfs/dbraw/zinc/23/29/52/385232952.db2.gz XCOQBVZLWQTXIJ-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN2CCC[C@H]2C1 ZINC000246919051 385255127 /nfs/dbraw/zinc/25/51/27/385255127.db2.gz MOBNGBUJBDDESE-SDDRHHMPSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000647063847 385205800 /nfs/dbraw/zinc/20/58/00/385205800.db2.gz XLPJVWUOXOHKGL-PHDIDXHHSA-N 1 3 227.230 0.120 20 0 BCADHO Cn1nccc1CNCCCC[NH+](C)C ZINC000045663918 385272960 /nfs/dbraw/zinc/27/29/60/385272960.db2.gz BIEBWGZBFYLSKH-UHFFFAOYSA-N 1 3 210.325 0.852 20 0 BCADHO CN1CCC(O)(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000344575779 385287973 /nfs/dbraw/zinc/28/79/73/385287973.db2.gz CAOOMKVBZHLABT-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1[NH2+]CC1(C)C ZINC000648152365 385291563 /nfs/dbraw/zinc/29/15/63/385291563.db2.gz SZVSNPMAAPITJO-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N(C)C ZINC000130979401 385300167 /nfs/dbraw/zinc/30/01/67/385300167.db2.gz BKWOIULJLSIDFI-NEPJUHHUSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000130979401 385300174 /nfs/dbraw/zinc/30/01/74/385300174.db2.gz BKWOIULJLSIDFI-NEPJUHHUSA-N 1 3 241.379 0.641 20 0 BCADHO COCCCCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000397461372 385356444 /nfs/dbraw/zinc/35/64/44/385356444.db2.gz QGIVABUGMVIQPA-ZDUSSCGKSA-N 1 3 244.379 0.800 20 0 BCADHO COCCCCN(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000397461372 385356449 /nfs/dbraw/zinc/35/64/49/385356449.db2.gz QGIVABUGMVIQPA-ZDUSSCGKSA-N 1 3 244.379 0.800 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309014961 385370367 /nfs/dbraw/zinc/37/03/67/385370367.db2.gz UAEYGDSEPLLSJH-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309014963 385370657 /nfs/dbraw/zinc/37/06/57/385370657.db2.gz UAEYGDSEPLLSJH-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CCC2)CC[N@@H+]1C ZINC000309098293 385407043 /nfs/dbraw/zinc/40/70/43/385407043.db2.gz DOYRWRDJQGZENF-VXGBXAGGSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CCC2)CC[N@H+]1C ZINC000309098293 385407048 /nfs/dbraw/zinc/40/70/48/385407048.db2.gz DOYRWRDJQGZENF-VXGBXAGGSA-N 1 3 211.353 0.764 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)/C=C\C[NH+](C)C ZINC000492648291 385412892 /nfs/dbraw/zinc/41/28/92/385412892.db2.gz NWDHDJUFNMADCQ-WAYWQWQTSA-N 1 3 239.363 0.657 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000644065950 385413387 /nfs/dbraw/zinc/41/33/87/385413387.db2.gz ZEWGQWVQNATJAY-GARJFASQSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374302 385413590 /nfs/dbraw/zinc/41/35/90/385413590.db2.gz UPBDSHCVTWSCDQ-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000644065951 385413787 /nfs/dbraw/zinc/41/37/87/385413787.db2.gz ZEWGQWVQNATJAY-GMTAPVOTSA-N 1 3 239.363 0.618 20 0 BCADHO N[C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806610 385420301 /nfs/dbraw/zinc/42/03/01/385420301.db2.gz QBRLMMLIUSETGG-QWHCGFSZSA-N 1 3 247.342 0.945 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000644089817 385441269 /nfs/dbraw/zinc/44/12/69/385441269.db2.gz NKDDZMNYBDDXSR-DTWKUNHWSA-N 1 3 247.289 0.052 20 0 BCADHO CN(C(=O)[C@H]1CNCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000644086011 385432129 /nfs/dbraw/zinc/43/21/29/385432129.db2.gz GKSLKCJWGUJUBR-DTWKUNHWSA-N 1 3 247.289 0.052 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1NCC1(C)C ZINC000644100466 385474326 /nfs/dbraw/zinc/47/43/26/385474326.db2.gz DYHYHBXCTMLORP-BBBLOLIVSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000644104181 385478023 /nfs/dbraw/zinc/47/80/23/385478023.db2.gz LHFLCOTZHIOGAS-IVZWLZJFSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 ZINC000644104182 385478170 /nfs/dbraw/zinc/47/81/70/385478170.db2.gz LHFLCOTZHIOGAS-LPEHRKFASA-N 1 3 225.336 0.180 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000644107467 385481314 /nfs/dbraw/zinc/48/13/14/385481314.db2.gz POFWIEJTPNNTFW-GXFFZTMASA-N 1 3 239.363 0.490 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000644107469 385481469 /nfs/dbraw/zinc/48/14/69/385481469.db2.gz POFWIEJTPNNTFW-ZWNOBZJWSA-N 1 3 239.363 0.490 20 0 BCADHO CC[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCOC1 ZINC000336724968 385497724 /nfs/dbraw/zinc/49/77/24/385497724.db2.gz ZSKJWPFLINUVSH-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO COC(C[N@@H+]1CC[C@]2(CCN(C)C2)C1)OC ZINC000309258185 385501336 /nfs/dbraw/zinc/50/13/36/385501336.db2.gz AWGRQGYRTHUQMN-LBPRGKRZSA-N 1 3 228.336 0.633 20 0 BCADHO COC(C[N@H+]1CC[C@]2(CCN(C)C2)C1)OC ZINC000309258185 385501341 /nfs/dbraw/zinc/50/13/41/385501341.db2.gz AWGRQGYRTHUQMN-LBPRGKRZSA-N 1 3 228.336 0.633 20 0 BCADHO COC(C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)OC ZINC000309258182 385502145 /nfs/dbraw/zinc/50/21/45/385502145.db2.gz AWGRQGYRTHUQMN-GFCCVEGCSA-N 1 3 228.336 0.633 20 0 BCADHO COC(C[N@H+]1CC[C@@]2(CCN(C)C2)C1)OC ZINC000309258182 385502150 /nfs/dbraw/zinc/50/21/50/385502150.db2.gz AWGRQGYRTHUQMN-GFCCVEGCSA-N 1 3 228.336 0.633 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCc1cn[nH]c1 ZINC000405345655 385507270 /nfs/dbraw/zinc/50/72/70/385507270.db2.gz GIMSMPSWNVWMQG-UWVGGRQHSA-N 1 3 208.309 0.668 20 0 BCADHO CC1(C)[C@H](NCCc2cn[nH]c2)C[C@@H]1[NH3+] ZINC000405345657 385507426 /nfs/dbraw/zinc/50/74/26/385507426.db2.gz GIMSMPSWNVWMQG-VHSXEESVSA-N 1 3 208.309 0.668 20 0 BCADHO NC1(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000644111637 385489014 /nfs/dbraw/zinc/48/90/14/385489014.db2.gz RXMMRLRGWNWPAI-UHFFFAOYSA-N 1 3 231.299 0.397 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000364870287 385532412 /nfs/dbraw/zinc/53/24/12/385532412.db2.gz ATDJFUGQGKCXAU-UMNHJUIQSA-N 1 3 243.326 0.274 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309395667 385561339 /nfs/dbraw/zinc/56/13/39/385561339.db2.gz GOAVCWCDUJQHFK-BDAKNGLRSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366558945 385596778 /nfs/dbraw/zinc/59/67/78/385596778.db2.gz XENVSZSOYFZVBM-YTWAJWBKSA-N 1 3 243.326 0.320 20 0 BCADHO CO[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309467454 385597731 /nfs/dbraw/zinc/59/77/31/385597731.db2.gz PTYSVJKCNFYGLK-MNOVXSKESA-N 1 3 230.352 0.456 20 0 BCADHO CO[C@@H](C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309467455 385597857 /nfs/dbraw/zinc/59/78/57/385597857.db2.gz PTYSVJKCNFYGLK-QWRGUYRKSA-N 1 3 230.352 0.456 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309514282 385647990 /nfs/dbraw/zinc/64/79/90/385647990.db2.gz YFDBYBRBRVPDKF-MWLCHTKSSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCN(c2ccncc2)CC1 ZINC000645220955 385686589 /nfs/dbraw/zinc/68/65/89/385686589.db2.gz DNEVADHEJTWTRB-LLVKDONJSA-N 1 3 248.330 0.468 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000337502504 385687367 /nfs/dbraw/zinc/68/73/67/385687367.db2.gz DWGSFBZJCASDLQ-MXWKQRLJSA-N 1 3 227.352 0.556 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCOC)[C@@H](C)C1 ZINC000221709968 385688593 /nfs/dbraw/zinc/68/85/93/385688593.db2.gz HMFIFEJCTXNYAI-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@H](NCCOC)[C@@H](C)C1 ZINC000221709968 385688596 /nfs/dbraw/zinc/68/85/96/385688596.db2.gz HMFIFEJCTXNYAI-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CN1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645241372 385697410 /nfs/dbraw/zinc/69/74/10/385697410.db2.gz OATPQQFRIALQHJ-SNVBAGLBSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645167 385743122 /nfs/dbraw/zinc/74/31/22/385743122.db2.gz KWQDRHCPSQJVEI-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(CC)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000337607238 385727090 /nfs/dbraw/zinc/72/70/90/385727090.db2.gz RZSADESMMAXKST-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000340157387 385804770 /nfs/dbraw/zinc/80/47/70/385804770.db2.gz WEWTUXBSCYNQNY-DCAQKATOSA-N 1 3 227.352 0.700 20 0 BCADHO CN(CCCCCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336716228 385813571 /nfs/dbraw/zinc/81/35/71/385813571.db2.gz PWPDEVNNIXNTFH-CYBMUJFWSA-N 1 3 244.379 0.536 20 0 BCADHO CN(CCCCCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336716228 385813576 /nfs/dbraw/zinc/81/35/76/385813576.db2.gz PWPDEVNNIXNTFH-CYBMUJFWSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000521434421 385829175 /nfs/dbraw/zinc/82/91/75/385829175.db2.gz XNKBIOONMUIGPB-LPEHRKFASA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647804251 385841142 /nfs/dbraw/zinc/84/11/42/385841142.db2.gz MRMBPIUUUWZDPR-YBXAARCKSA-N 1 3 228.336 0.506 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000262434277 385845242 /nfs/dbraw/zinc/84/52/42/385845242.db2.gz LBBWVXNLTHRHFD-STQMWFEESA-N 1 3 247.342 0.410 20 0 BCADHO N[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262437005 385845293 /nfs/dbraw/zinc/84/52/93/385845293.db2.gz MBJJNFKXQHNFJS-OLZOCXBDSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H](C(=O)NC[C@@H](N)c1ccccc1)[C@H](C)[NH3+] ZINC000262439671 385846350 /nfs/dbraw/zinc/84/63/50/385846350.db2.gz AMADGMSRLJEWGB-JFGNBEQYSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@H](C[NH3+])CNCc1ccc2c(c1)nnn2C ZINC000414871554 385853702 /nfs/dbraw/zinc/85/37/02/385853702.db2.gz DCVLCRIYPCWLFY-SECBINFHSA-N 1 3 233.319 0.653 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCNCC2(C)C)CC[N@@H+]1C ZINC000647841466 385888732 /nfs/dbraw/zinc/88/87/32/385888732.db2.gz WCQQQPSYLAKILJ-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCNCC2(C)C)CC[N@H+]1C ZINC000647841466 385888735 /nfs/dbraw/zinc/88/87/35/385888735.db2.gz WCQQQPSYLAKILJ-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000294733963 385889872 /nfs/dbraw/zinc/88/98/72/385889872.db2.gz JDLLKSHZFLITMF-OLZOCXBDSA-N 1 3 247.342 0.549 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000294733970 385890124 /nfs/dbraw/zinc/89/01/24/385890124.db2.gz JDLLKSHZFLITMF-STQMWFEESA-N 1 3 247.342 0.549 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1NCC1(C)C ZINC000647858089 385914347 /nfs/dbraw/zinc/91/43/47/385914347.db2.gz RSLIKGXBESZHPM-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000647732457 385862152 /nfs/dbraw/zinc/86/21/52/385862152.db2.gz IOWXJSWNPSDPAT-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000647732619 385864505 /nfs/dbraw/zinc/86/45/05/385864505.db2.gz PRRQZTKYLNDHPO-RKDXNWHRSA-N 1 3 247.289 0.038 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000647824966 385867296 /nfs/dbraw/zinc/86/72/96/385867296.db2.gz JRAYWNGCOATBGT-IUCAKERBSA-N 1 3 249.305 0.331 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000647828191 385876369 /nfs/dbraw/zinc/87/63/69/385876369.db2.gz GDZLOGRYCUSSOS-GMSGAONNSA-N 1 3 237.294 0.459 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CN1C1CC1 ZINC000638136486 385879215 /nfs/dbraw/zinc/87/92/15/385879215.db2.gz ZAAMHXHESUZDNB-JLLWLGSASA-N 1 3 249.358 0.775 20 0 BCADHO N[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccccc1 ZINC000647767370 385882478 /nfs/dbraw/zinc/88/24/78/385882478.db2.gz GKFFWQYXUFEIDK-LPWJVIDDSA-N 1 3 245.326 0.553 20 0 BCADHO CC[NH+](CC)CCCN1CC[C@@](C)(C(N)=O)C1 ZINC000338363935 385986794 /nfs/dbraw/zinc/98/67/94/385986794.db2.gz SDKMXQFEHFVAQI-CYBMUJFWSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CCC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000338363935 385986797 /nfs/dbraw/zinc/98/67/97/385986797.db2.gz SDKMXQFEHFVAQI-CYBMUJFWSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CCC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000338363935 385986803 /nfs/dbraw/zinc/98/68/03/385986803.db2.gz SDKMXQFEHFVAQI-CYBMUJFWSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000335042630 385935745 /nfs/dbraw/zinc/93/57/45/385935745.db2.gz FFEYRCDGRWAQPB-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000335051642 385949588 /nfs/dbraw/zinc/94/95/88/385949588.db2.gz STVCZEHDFXWFSA-QWRGUYRKSA-N 1 3 212.337 0.879 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(O)CCC1 ZINC000335051642 385949595 /nfs/dbraw/zinc/94/95/95/385949595.db2.gz STVCZEHDFXWFSA-QWRGUYRKSA-N 1 3 212.337 0.879 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335059943 385960235 /nfs/dbraw/zinc/96/02/35/385960235.db2.gz GASDDPRONFLTRX-CMPLNLGQSA-N 1 3 247.342 0.759 20 0 BCADHO C[C@@]1(CN[C@@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000334832297 385965044 /nfs/dbraw/zinc/96/50/44/385965044.db2.gz BTLKUKCESOKSEM-NXEZZACHSA-N 1 3 233.306 0.573 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000365228859 385965491 /nfs/dbraw/zinc/96/54/91/385965491.db2.gz USBFYTMMUQJWGI-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)([NH3+])CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331793697 385970694 /nfs/dbraw/zinc/97/06/94/385970694.db2.gz SVPCYYXETLIQCY-SECBINFHSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H](C[NH3+])CNCc1ccc(-n2cncn2)cc1 ZINC000414880522 385972833 /nfs/dbraw/zinc/97/28/33/385972833.db2.gz QWPGLOHBYMCGOT-LLVKDONJSA-N 1 3 245.330 0.952 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000638574913 386000648 /nfs/dbraw/zinc/00/06/48/386000648.db2.gz YUEASSWUCQWJKK-WRWGMCAJSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336752443 386016800 /nfs/dbraw/zinc/01/68/00/386016800.db2.gz GWINDRADFMBPPB-UTUOFQBUSA-N 1 3 213.369 0.866 20 0 BCADHO CCN(C)CCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000338479010 386018752 /nfs/dbraw/zinc/01/87/52/386018752.db2.gz MXBVZUKTMMNQDX-LLVKDONJSA-N 1 3 244.383 0.578 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335061311 386026018 /nfs/dbraw/zinc/02/60/18/386026018.db2.gz MOXLHYGEKCXIMC-MWLCHTKSSA-N 1 3 233.315 0.640 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335061310 386027454 /nfs/dbraw/zinc/02/74/54/386027454.db2.gz MOXLHYGEKCXIMC-KOLCDFICSA-N 1 3 233.315 0.640 20 0 BCADHO C[NH2+]CCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335064488 386035388 /nfs/dbraw/zinc/03/53/88/386035388.db2.gz ZHHAQRKKMOZMMV-NSHDSACASA-N 1 3 233.315 0.513 20 0 BCADHO CCN(C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000054128914 386110639 /nfs/dbraw/zinc/11/06/39/386110639.db2.gz CCGYFMDFJOGKEA-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404404 386077556 /nfs/dbraw/zinc/07/75/56/386077556.db2.gz PQETYIFGGAUISK-NWDGAFQWSA-N 1 3 230.352 0.410 20 0 BCADHO COC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365404404 386077560 /nfs/dbraw/zinc/07/75/60/386077560.db2.gz PQETYIFGGAUISK-NWDGAFQWSA-N 1 3 230.352 0.410 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677055 386152798 /nfs/dbraw/zinc/15/27/98/386152798.db2.gz VVKXOVFAGWCGGU-QWRGUYRKSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000414677055 386152807 /nfs/dbraw/zinc/15/28/07/386152807.db2.gz VVKXOVFAGWCGGU-QWRGUYRKSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)N(CC(N)=O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414677797 386158332 /nfs/dbraw/zinc/15/83/32/386158332.db2.gz JTFVWQXOFBKMNZ-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC000346139247 386165751 /nfs/dbraw/zinc/16/57/51/386165751.db2.gz NZXCALPCGXPATQ-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO C[C@]1(CNC[C@@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993210 386167350 /nfs/dbraw/zinc/16/73/50/386167350.db2.gz CGJQVYHPTYOMMR-QWRGUYRKSA-N 1 3 247.333 0.820 20 0 BCADHO C[C@H]1C[C@H](CN(C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681954 386167417 /nfs/dbraw/zinc/16/74/17/386167417.db2.gz QELOQRSUYHVZFS-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000346157637 386171774 /nfs/dbraw/zinc/17/17/74/386171774.db2.gz TYUUJOKULKUQEE-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000346157637 386171780 /nfs/dbraw/zinc/17/17/80/386171780.db2.gz TYUUJOKULKUQEE-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000237314131 259683026 /nfs/dbraw/zinc/68/30/26/259683026.db2.gz JOWBYARFXFYCLT-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000393458181 386129835 /nfs/dbraw/zinc/12/98/35/386129835.db2.gz FRKAQTZRFUGHEK-IRCOFANPSA-N 1 3 210.321 0.726 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000393458181 386129841 /nfs/dbraw/zinc/12/98/41/386129841.db2.gz FRKAQTZRFUGHEK-IRCOFANPSA-N 1 3 210.321 0.726 20 0 BCADHO C[C@@H](C(=O)N(C)[C@H]1CN2CCC1CC2)[C@H](C)[NH3+] ZINC000310136367 386135203 /nfs/dbraw/zinc/13/52/03/386135203.db2.gz ZNPSZYOBXJFWRT-SCVCMEIPSA-N 1 3 239.363 0.522 20 0 BCADHO CCN(CCNC(=O)NC(C)(C)C[NH3+])C1CC1 ZINC000417487720 386143103 /nfs/dbraw/zinc/14/31/03/386143103.db2.gz OBRNXRBTSSUBBL-UHFFFAOYSA-N 1 3 242.367 0.507 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC(C)(C)CC[NH3+] ZINC000638355303 386247017 /nfs/dbraw/zinc/24/70/17/386247017.db2.gz HYAKQSJSTUOGKM-UHFFFAOYSA-N 1 3 224.308 0.504 20 0 BCADHO COCC(C)(C)CNC[C@H]([NH3+])C1CC1 ZINC000414895618 386192696 /nfs/dbraw/zinc/19/26/96/386192696.db2.gz YGFIYRHEGJCBKT-JTQLQIEISA-N 1 3 200.326 0.986 20 0 BCADHO O=C(C1C[NH2+]C1)N1CC[C@H](N2CCCCC2)C1 ZINC000091411432 386295895 /nfs/dbraw/zinc/29/58/95/386295895.db2.gz LSRMXYUDKNTEDI-LBPRGKRZSA-N 1 3 237.347 0.293 20 0 BCADHO Cc1nc([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)n[nH]1 ZINC000647988411 386303818 /nfs/dbraw/zinc/30/38/18/386303818.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1n[nH]c([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647988411 386303820 /nfs/dbraw/zinc/30/38/20/386303820.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 1 3 249.362 0.902 20 0 BCADHO Cc1nnc([C@H]2CCCN(C[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000647988411 386303822 /nfs/dbraw/zinc/30/38/22/386303822.db2.gz FWXPFLOVJSKIIA-RYUDHWBXSA-N 1 3 249.362 0.902 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000331942037 386309109 /nfs/dbraw/zinc/30/91/09/386309109.db2.gz XRXGWSJEGLIOLS-IQJOONFLSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@H](O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336671419 386319688 /nfs/dbraw/zinc/31/96/88/386319688.db2.gz KBIOGNCIAWRGCK-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@H](O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336671419 386319690 /nfs/dbraw/zinc/31/96/90/386319690.db2.gz KBIOGNCIAWRGCK-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000339134260 386263995 /nfs/dbraw/zinc/26/39/95/386263995.db2.gz UCGCEPAXYKLIEY-ZJUUUORDSA-N 1 3 215.341 0.297 20 0 BCADHO COCCOC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647884711 386264174 /nfs/dbraw/zinc/26/41/74/386264174.db2.gz ZPZSBZYKCMNHQE-LBPRGKRZSA-N 1 3 242.363 0.723 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CC2(O)CCC2)C1 ZINC000336653901 386271272 /nfs/dbraw/zinc/27/12/72/386271272.db2.gz ZFFOLNLSCSBVLX-LLVKDONJSA-N 1 3 212.337 0.785 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)CNC2 ZINC000335279020 386340500 /nfs/dbraw/zinc/34/05/00/386340500.db2.gz DRYRTJTXAHBCKB-NWDGAFQWSA-N 1 3 231.299 0.253 20 0 BCADHO C[C@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C1CC1 ZINC000417553479 386358450 /nfs/dbraw/zinc/35/84/50/386358450.db2.gz UHDJQRRPUZWOGO-SECBINFHSA-N 1 3 242.367 0.506 20 0 BCADHO NC(=O)C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890092 386368207 /nfs/dbraw/zinc/36/82/07/386368207.db2.gz PJYUTMWPUIFELU-WDEREUQCSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000237430622 386378032 /nfs/dbraw/zinc/37/80/32/386378032.db2.gz ZZGFADAISFQVRE-JQWIXIFHSA-N 1 3 235.331 0.882 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417556165 386379843 /nfs/dbraw/zinc/37/98/43/386379843.db2.gz ZXYODESCDDWLOO-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CN1 ZINC000237479408 386383621 /nfs/dbraw/zinc/38/36/21/386383621.db2.gz DHBJFVHWNDGJEA-MNOVXSKESA-N 1 3 247.342 0.968 20 0 BCADHO c1ncn(CC2CCN(C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000647989997 386385706 /nfs/dbraw/zinc/38/57/06/386385706.db2.gz NORUFEVUTFWRTG-ZDUSSCGKSA-N 1 3 249.362 0.600 20 0 BCADHO CC(C)N(C[C@H](C)O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336684158 386329599 /nfs/dbraw/zinc/32/95/99/386329599.db2.gz FODDOUYFMLYXDG-WCQYABFASA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C[C@H](C)O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336684158 386329602 /nfs/dbraw/zinc/32/96/02/386329602.db2.gz FODDOUYFMLYXDG-WCQYABFASA-N 1 3 244.379 0.533 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCN(C)C ZINC000166087974 386395217 /nfs/dbraw/zinc/39/52/17/386395217.db2.gz MUAZWAJHSFOMFR-VXGBXAGGSA-N 1 3 229.368 0.295 20 0 BCADHO N[C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237868109 386419542 /nfs/dbraw/zinc/41/95/42/386419542.db2.gz VODCEYRTSYGTJG-CHWSQXEVSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H](C(=O)N(C)C1CCN(C)CC1)[C@H](C)[NH3+] ZINC000164992638 386451987 /nfs/dbraw/zinc/45/19/87/386451987.db2.gz YTJDKMQWBPUULC-ZJUUUORDSA-N 1 3 227.352 0.522 20 0 BCADHO COC(=O)[C@@H]1CCN(CCC[NH3+])[C@H]1C ZINC000414761984 386422823 /nfs/dbraw/zinc/42/28/23/386422823.db2.gz VEHRTEGNMJMTSK-DTWKUNHWSA-N 1 3 200.282 0.219 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[NH3+] ZINC000417017014 386434302 /nfs/dbraw/zinc/43/43/02/386434302.db2.gz GNPHTBPSSSZVLC-LLVKDONJSA-N 1 3 242.367 0.509 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)NC[C@H]1CCCN1C ZINC000417276326 386468082 /nfs/dbraw/zinc/46/80/82/386468082.db2.gz DOLXLPBYFCKDPS-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000165006058 386468130 /nfs/dbraw/zinc/46/81/30/386468130.db2.gz HFQWTYUXEVUUAH-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000165006058 386468140 /nfs/dbraw/zinc/46/81/40/386468140.db2.gz HFQWTYUXEVUUAH-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000417286447 386474971 /nfs/dbraw/zinc/47/49/71/386474971.db2.gz MXKDHLFRMPPUHX-MNOVXSKESA-N 1 3 242.367 0.235 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000335426861 386480280 /nfs/dbraw/zinc/48/02/80/386480280.db2.gz CTWSABBVTMNCDH-GWCFXTLKSA-N 1 3 247.342 0.808 20 0 BCADHO CNCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000335432887 386491075 /nfs/dbraw/zinc/49/10/75/386491075.db2.gz FEQXBBBEZXQELS-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000335432887 386491077 /nfs/dbraw/zinc/49/10/77/386491077.db2.gz FEQXBBBEZXQELS-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](CC(=O)N(C)C)N[C@@H](C[NH3+])C1CCCC1 ZINC000415044302 386529387 /nfs/dbraw/zinc/52/93/87/386529387.db2.gz BQDDCNFQNPWJDF-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000062113079 386503461 /nfs/dbraw/zinc/50/34/61/386503461.db2.gz ANLZIXNSLIBXMF-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CN(C)CCN(C(=O)CC[NH2+]C1CC1)C1CC1 ZINC000519603013 386506715 /nfs/dbraw/zinc/50/67/15/386506715.db2.gz CPSOMROSINPBOZ-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)C[C@H](C)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000414786496 386525239 /nfs/dbraw/zinc/52/52/39/386525239.db2.gz MFBOBUKFRHCLEV-SRVKXCTJSA-N 1 3 214.353 0.839 20 0 BCADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CNC[C@@H]1O ZINC000414786496 386525243 /nfs/dbraw/zinc/52/52/43/386525243.db2.gz MFBOBUKFRHCLEV-SRVKXCTJSA-N 1 3 214.353 0.839 20 0 BCADHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN(C)CCOC ZINC000061380590 386455876 /nfs/dbraw/zinc/45/58/76/386455876.db2.gz ARFQBLDTNXMOJA-GHMZBOCLSA-N 1 3 245.367 0.054 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH3+])N1CCCCC1 ZINC000347661967 386460683 /nfs/dbraw/zinc/46/06/83/386460683.db2.gz YMMUABBBIRLZRT-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)NCCN(C)C1CC1 ZINC000417625043 386462640 /nfs/dbraw/zinc/46/26/40/386462640.db2.gz LKSZYUCVSDKPSQ-SNVBAGLBSA-N 1 3 242.367 0.507 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)NCCN(C)C1CC1 ZINC000417625829 386462785 /nfs/dbraw/zinc/46/27/85/386462785.db2.gz MZCADUYFAWKPLH-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CN(CCNC(=O)C1([NH3+])CCCCC1)C1CC1 ZINC000059931400 386463720 /nfs/dbraw/zinc/46/37/20/386463720.db2.gz CQRGECUYINPWBG-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978232 386576804 /nfs/dbraw/zinc/57/68/04/386576804.db2.gz OUOJOJLATIXLEK-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978233 386578468 /nfs/dbraw/zinc/57/84/68/386578468.db2.gz OUOJOJLATIXLEK-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335418728 386587505 /nfs/dbraw/zinc/58/75/05/386587505.db2.gz SXFJPEHXIUBHDT-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCNC[C@H]1C ZINC000124311480 386587863 /nfs/dbraw/zinc/58/78/63/386587863.db2.gz CQLZIPBKTWVUKY-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN1C ZINC000300359270 386590946 /nfs/dbraw/zinc/59/09/46/386590946.db2.gz IIQVLAGHDAFYGW-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973550 386534556 /nfs/dbraw/zinc/53/45/56/386534556.db2.gz MUZHRFPJDMIHDO-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000262631489 386540290 /nfs/dbraw/zinc/54/02/90/386540290.db2.gz FKNVQCUKBXYISZ-OUAUKWLOSA-N 1 3 237.347 0.337 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN2CCC1CC2 ZINC000335463096 386548222 /nfs/dbraw/zinc/54/82/22/386548222.db2.gz KQSZNOLNXSIDDU-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C12CCCN1CCC2 ZINC000335463152 386548273 /nfs/dbraw/zinc/54/82/73/386548273.db2.gz PCGVUVIKLRTTGB-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000335405884 386564455 /nfs/dbraw/zinc/56/44/55/386564455.db2.gz JKFPRTNMMRCHQN-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H](NC(=O)C1(N)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000335407000 386566887 /nfs/dbraw/zinc/56/68/87/386566887.db2.gz OAXLJSVSKXIAOC-VHSXEESVSA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000335409107 386572005 /nfs/dbraw/zinc/57/20/05/386572005.db2.gz AGIYBSIJDNYJQR-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@H](CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C1CC1 ZINC000644932531 386629445 /nfs/dbraw/zinc/62/94/45/386629445.db2.gz GUJYLDLFINXGTO-FRRDWIJNSA-N 1 3 224.348 0.905 20 0 BCADHO CO[C@H](CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C1CC1 ZINC000644932531 386629448 /nfs/dbraw/zinc/62/94/48/386629448.db2.gz GUJYLDLFINXGTO-FRRDWIJNSA-N 1 3 224.348 0.905 20 0 BCADHO CC[C@@]1(C(=O)NCCN(C)C)CC[NH2+]C1 ZINC000062887317 386632540 /nfs/dbraw/zinc/63/25/40/386632540.db2.gz YXEFDVNCTVMRHM-LLVKDONJSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN1CCC(C)CC1 ZINC000335506683 386638748 /nfs/dbraw/zinc/63/87/48/386638748.db2.gz DGOSUGCEAMBFEC-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000335423631 386599230 /nfs/dbraw/zinc/59/92/30/386599230.db2.gz NVDBEVHQTSCKKZ-CABZTGNLSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366496873 386602999 /nfs/dbraw/zinc/60/29/99/386602999.db2.gz KURLBDPVAZLQPB-WOPDTQHZSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)C12CCCN1CCC2 ZINC000335487602 386603436 /nfs/dbraw/zinc/60/34/36/386603436.db2.gz QERMEGMBFZRDGO-JTQLQIEISA-N 1 3 223.320 0.093 20 0 BCADHO C1C[C@@H]([NH2+][C@H]2CCC[C@@H]3OCC[C@@H]32)CN1 ZINC000415087155 386606945 /nfs/dbraw/zinc/60/69/45/386606945.db2.gz KPBKBHPOEBEMQJ-WYUUTHIRSA-N 1 3 210.321 0.896 20 0 BCADHO COC[C@@H]1C[C@H](OC)CN1C[C@@H]1CCC[NH2+]C1 ZINC000415109308 386617166 /nfs/dbraw/zinc/61/71/66/386617166.db2.gz RASCREYYSJMBQV-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO Cn1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1=O ZINC000647954449 386682525 /nfs/dbraw/zinc/68/25/25/386682525.db2.gz HMQVYFHTTUETTN-CYBMUJFWSA-N 1 3 235.331 0.556 20 0 BCADHO Cn1ccc(C[NH2+]CC2(N)CCC2)cc1=O ZINC000647907572 386679635 /nfs/dbraw/zinc/67/96/35/386679635.db2.gz XUDXCGLJEUZKGW-UHFFFAOYSA-N 1 3 221.304 0.356 20 0 BCADHO C[C@@]1(F)CNCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000335481939 386709976 /nfs/dbraw/zinc/70/99/76/386709976.db2.gz XYHWMNZEYHNVRM-VXGBXAGGSA-N 1 3 229.343 0.619 20 0 BCADHO CN(C(=O)C1(C)C[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000335483608 386711261 /nfs/dbraw/zinc/71/12/61/386711261.db2.gz OVUKLYGUDCNBRT-NSHDSACASA-N 1 3 237.347 0.291 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335475331 386698691 /nfs/dbraw/zinc/69/86/91/386698691.db2.gz AGSWKFKPNUXHAS-CMPLNLGQSA-N 1 3 225.336 0.311 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335480653 386706099 /nfs/dbraw/zinc/70/60/99/386706099.db2.gz RKDGBEGXBXQOMA-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO N[C@@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840400 386739513 /nfs/dbraw/zinc/73/95/13/386739513.db2.gz XABGVIGUEMSMKL-RYUDHWBXSA-N 1 3 205.305 0.638 20 0 BCADHO CC(C)CO[C@@H]1CCN(CCOCC[NH3+])C1 ZINC000357100445 386717963 /nfs/dbraw/zinc/71/79/63/386717963.db2.gz FTAIDRZEKZTPJY-GFCCVEGCSA-N 1 3 230.352 0.709 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645105485 386725112 /nfs/dbraw/zinc/72/51/12/386725112.db2.gz RLXZMFGTWBLDPX-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H](C)C[NH3+] ZINC000357254084 386748061 /nfs/dbraw/zinc/74/80/61/386748061.db2.gz YQTHLZPKDBWYJU-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357302120 386756827 /nfs/dbraw/zinc/75/68/27/386756827.db2.gz PSFIRIYGJSIHLQ-CHWFTXMASA-N 1 3 227.352 0.617 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[NH2+]C ZINC000417828446 386789498 /nfs/dbraw/zinc/78/94/98/386789498.db2.gz HHZCOTDSBNLHLO-ZDUSSCGKSA-N 1 3 249.358 0.975 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417828296 386789877 /nfs/dbraw/zinc/78/98/77/386789877.db2.gz FCIXKYQTRZQFNM-LOWVWBTDSA-N 1 3 241.379 0.947 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417828295 386790505 /nfs/dbraw/zinc/79/05/05/386790505.db2.gz FCIXKYQTRZQFNM-GVXVVHGQSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417828315 386790531 /nfs/dbraw/zinc/79/05/31/386790531.db2.gz FFTXGTNOBFRIBE-NTZNESFSSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417810884 386791139 /nfs/dbraw/zinc/79/11/39/386791139.db2.gz IZQUPTVJIHVSSF-KXNHARMFSA-N 1 3 239.363 0.570 20 0 BCADHO C[N@@H+]1CC[C@](O)(CN[C@H]2COC(C)(C)C2)C1 ZINC000417988433 386791168 /nfs/dbraw/zinc/79/11/68/386791168.db2.gz KAKLDTLEXIYHHT-PWSUYJOCSA-N 1 3 228.336 0.210 20 0 BCADHO C[N@H+]1CC[C@](O)(CN[C@H]2COC(C)(C)C2)C1 ZINC000417988433 386791171 /nfs/dbraw/zinc/79/11/71/386791171.db2.gz KAKLDTLEXIYHHT-PWSUYJOCSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000417813081 386780216 /nfs/dbraw/zinc/78/02/16/386780216.db2.gz QTMFNARCDMUJCV-KXNHARMFSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417803861 386780508 /nfs/dbraw/zinc/78/05/08/386780508.db2.gz FWKMIQRDSJOZQG-KXUCPTDWSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417813586 386781869 /nfs/dbraw/zinc/78/18/69/386781869.db2.gz MPBADBWGOFQNGQ-BBBLOLIVSA-N 1 3 213.325 0.086 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417803863 386782142 /nfs/dbraw/zinc/78/21/42/386782142.db2.gz FWKMIQRDSJOZQG-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@H]1NCCCC1(C)C ZINC000417805978 386788610 /nfs/dbraw/zinc/78/86/10/386788610.db2.gz IBSLZUCCPOJHFN-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@@H](C)N[C@@H](C)C2)C1 ZINC000417837968 386797460 /nfs/dbraw/zinc/79/74/60/386797460.db2.gz MXYONBZWVJSVEI-WYUUTHIRSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000417841518 386799231 /nfs/dbraw/zinc/79/92/31/386799231.db2.gz XLXMFAZIWHHQSB-KXNHARMFSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417841514 386800399 /nfs/dbraw/zinc/80/03/99/386800399.db2.gz XLXMFAZIWHHQSB-KKOKHZNYSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000417854422 386802066 /nfs/dbraw/zinc/80/20/66/386802066.db2.gz JWSFPNGCBJQTNN-GUBZILKMSA-N 1 3 240.351 0.258 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000417854421 386803086 /nfs/dbraw/zinc/80/30/86/386803086.db2.gz JWSFPNGCBJQTNN-AEJSXWLSSA-N 1 3 240.351 0.258 20 0 BCADHO C[NH2+]CCNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000417857005 386805718 /nfs/dbraw/zinc/80/57/18/386805718.db2.gz NOEKMZYIMGUQQZ-VHSXEESVSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1[C@@H](NC(=O)N(C)C2C[NH2+]C2)CCCN1C ZINC000417997360 386806649 /nfs/dbraw/zinc/80/66/49/386806649.db2.gz FTOXZAYBIPPEPS-ONGXEEELSA-N 1 3 240.351 0.082 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCNC[C@@H]1C ZINC000125398966 386840886 /nfs/dbraw/zinc/84/08/86/386840886.db2.gz CQLZIPBKTWVUKY-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCNC[C@@H]1C ZINC000125410404 386841798 /nfs/dbraw/zinc/84/17/98/386841798.db2.gz YNJSSODKUHQUQQ-JTQLQIEISA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCNC[C@@H]1C ZINC000125410404 386841803 /nfs/dbraw/zinc/84/18/03/386841803.db2.gz YNJSSODKUHQUQQ-JTQLQIEISA-N 1 3 213.325 0.147 20 0 BCADHO C[C@@H](CC(N)=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000357846839 386854794 /nfs/dbraw/zinc/85/47/94/386854794.db2.gz IWKGMYVJYTZNKO-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357846839 386854801 /nfs/dbraw/zinc/85/48/01/386854801.db2.gz IWKGMYVJYTZNKO-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418005061 386855660 /nfs/dbraw/zinc/85/56/60/386855660.db2.gz OYYAFTFSVZBKEY-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336744575 386868195 /nfs/dbraw/zinc/86/81/95/386868195.db2.gz QGCNOMIIBLSEFB-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336744575 386868197 /nfs/dbraw/zinc/86/81/97/386868197.db2.gz QGCNOMIIBLSEFB-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@]1(CN[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000334832299 386868559 /nfs/dbraw/zinc/86/85/59/386868559.db2.gz BTLKUKCESOKSEM-UWVGGRQHSA-N 1 3 233.306 0.573 20 0 BCADHO C[C@@H](CNC(=O)/C=C/CN(C)C)C[NH+](C)C ZINC000293749919 386871911 /nfs/dbraw/zinc/87/19/11/386871911.db2.gz MAUXGBZVYIJATP-MLRMMBSGSA-N 1 3 227.352 0.418 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000331746177 386890654 /nfs/dbraw/zinc/89/06/54/386890654.db2.gz DBYOWNLCCYCFLU-LPEHRKFASA-N 1 3 240.351 0.258 20 0 BCADHO C[C@@]1(CNC(=O)[C@H](N)C2CCC2)CCC[NH2+]C1 ZINC000331827178 386913579 /nfs/dbraw/zinc/91/35/79/386913579.db2.gz CURSKYZOOZMXSS-DGCLKSJQSA-N 1 3 239.363 0.620 20 0 BCADHO FC1(F)CNCC[C@@H]1CN[C@@H]1CCC[NH2+]C1 ZINC000334849604 386897836 /nfs/dbraw/zinc/89/78/36/386897836.db2.gz XEBMAEPMNZEWKF-NXEZZACHSA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CCCNC1 ZINC000334849604 386897839 /nfs/dbraw/zinc/89/78/39/386897839.db2.gz XEBMAEPMNZEWKF-NXEZZACHSA-N 1 3 233.306 0.573 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418011572 386898239 /nfs/dbraw/zinc/89/82/39/386898239.db2.gz XADZEOQSPWNBHA-NAKRPEOUSA-N 1 3 242.367 0.504 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000336739776 386898315 /nfs/dbraw/zinc/89/83/15/386898315.db2.gz LSAKFAQYUPCAPF-CIUDSAMLSA-N 1 3 231.365 0.015 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368155631 386946762 /nfs/dbraw/zinc/94/67/62/386946762.db2.gz PKGSHSJCNQCZRR-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH2+]C2)CCCN1C ZINC000418013790 386921505 /nfs/dbraw/zinc/92/15/05/386921505.db2.gz ZQPVRIPNUXOEKC-OUAUKWLOSA-N 1 3 240.351 0.130 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000331900799 386922347 /nfs/dbraw/zinc/92/23/47/386922347.db2.gz SFRUFWWBJNURCZ-WDEREUQCSA-N 1 3 239.363 0.618 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)N1CCCNCC1 ZINC000331903010 386924645 /nfs/dbraw/zinc/92/46/45/386924645.db2.gz ROGBRSJFIRTNMO-UHFFFAOYSA-N 1 3 242.367 0.509 20 0 BCADHO NC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000358319269 386932976 /nfs/dbraw/zinc/93/29/76/386932976.db2.gz GGYQARVLLNHTLY-GFCCVEGCSA-N 1 3 248.330 0.833 20 0 BCADHO NC[C@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000358319269 386932979 /nfs/dbraw/zinc/93/29/79/386932979.db2.gz GGYQARVLLNHTLY-GFCCVEGCSA-N 1 3 248.330 0.833 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368088903 386939992 /nfs/dbraw/zinc/93/99/92/386939992.db2.gz GQHVVPSWWVCJHG-UTUOFQBUSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000332163856 386963611 /nfs/dbraw/zinc/96/36/11/386963611.db2.gz RPBOLKMHRFIDTL-DCAQKATOSA-N 1 3 239.363 0.570 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000518976296 386965190 /nfs/dbraw/zinc/96/51/90/386965190.db2.gz MEECTJZXAUUFHY-FOGDFJRCSA-N 1 3 227.352 0.761 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000518976298 386965935 /nfs/dbraw/zinc/96/59/35/386965935.db2.gz MEECTJZXAUUFHY-SCVCMEIPSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368377719 386966808 /nfs/dbraw/zinc/96/68/08/386966808.db2.gz NPANFIGYFYIXEU-NXEZZACHSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000518993469 386978902 /nfs/dbraw/zinc/97/89/02/386978902.db2.gz CLLPMSPLNYTSIC-FKTRJACZSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000341888826 386983475 /nfs/dbraw/zinc/98/34/75/386983475.db2.gz NGXAERZNAXLGEZ-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CC(N)=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000341888826 386983480 /nfs/dbraw/zinc/98/34/80/386983480.db2.gz NGXAERZNAXLGEZ-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000519180018 387031037 /nfs/dbraw/zinc/03/10/37/387031037.db2.gz GJYUTDRFEOVILI-IUCAKERBSA-N 1 3 213.325 0.099 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399005912 387036055 /nfs/dbraw/zinc/03/60/55/387036055.db2.gz YBHJFGPEEJUSSM-ONGXEEELSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399005912 387036060 /nfs/dbraw/zinc/03/60/60/387036060.db2.gz YBHJFGPEEJUSSM-ONGXEEELSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399005911 387036189 /nfs/dbraw/zinc/03/61/89/387036189.db2.gz YBHJFGPEEJUSSM-MWLCHTKSSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399005911 387036194 /nfs/dbraw/zinc/03/61/94/387036194.db2.gz YBHJFGPEEJUSSM-MWLCHTKSSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)(C)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070074182 387042755 /nfs/dbraw/zinc/04/27/55/387042755.db2.gz LFYSRASCGPPNEX-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@H](C)CN1 ZINC000648108058 387053000 /nfs/dbraw/zinc/05/30/00/387053000.db2.gz VYBBBKBUORWPAM-OPRDCNLKSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)C1CCC1 ZINC000399067453 387053769 /nfs/dbraw/zinc/05/37/69/387053769.db2.gz KWXYLSUWLUCDNY-ONGXEEELSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@@H](C(=O)NCCN(C)C)[C@@H](C)[NH3+] ZINC000399483412 387012584 /nfs/dbraw/zinc/01/25/84/387012584.db2.gz CUIWLXIEXGVPSN-NXEZZACHSA-N 1 3 215.341 0.284 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000368806468 387012966 /nfs/dbraw/zinc/01/29/66/387012966.db2.gz NZPVEXIRFFKWPM-ZYHUDNBSSA-N 1 3 225.336 0.054 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000648105471 387025308 /nfs/dbraw/zinc/02/53/08/387025308.db2.gz BDBRBEWWMRTXEJ-VIFPVBQESA-N 1 3 249.305 0.347 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC(=O)N(C2CC2)C1 ZINC000333296317 387026775 /nfs/dbraw/zinc/02/67/75/387026775.db2.gz PKSSICGZWHCOKN-JBLDHEPKSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC1CCN(C2CC2)CC1 ZINC000070315876 387066174 /nfs/dbraw/zinc/06/61/74/387066174.db2.gz QOIACBXZICIWOV-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](F)CN1 ZINC000369885321 387075500 /nfs/dbraw/zinc/07/55/00/387075500.db2.gz XUFSAZXUUASIKG-KXUCPTDWSA-N 1 3 231.315 0.143 20 0 BCADHO CCN(CCNC(=O)N[C@H](C)C[NH3+])C1CC1 ZINC000417434088 387098367 /nfs/dbraw/zinc/09/83/67/387098367.db2.gz WRBRIWQHXRQOTC-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250357757 387114850 /nfs/dbraw/zinc/11/48/50/387114850.db2.gz QCAKRCUKYMGVKX-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C1CC1[C@H](N[C@H]1CCC[NH2+]C1)[C@H]1CNCCO1 ZINC000423308448 387142738 /nfs/dbraw/zinc/14/27/38/387142738.db2.gz XZGRVBPTJHVQJQ-XQQFMLRXSA-N 1 3 239.363 0.095 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000119597215 387143556 /nfs/dbraw/zinc/14/35/56/387143556.db2.gz ZSPBXAFYDWOZQI-LBPRGKRZSA-N 1 3 243.326 0.241 20 0 BCADHO CC[C@H](NCC1C[NH2+]C1)C1(C(=O)OC)CCC1 ZINC000423309017 387147093 /nfs/dbraw/zinc/14/70/93/387147093.db2.gz YMJDTVXPTAGRQZ-NSHDSACASA-N 1 3 240.347 0.917 20 0 BCADHO CC[C@H]([NH2+]CC1CNC1)C1(C(=O)OC)CCC1 ZINC000423309017 387147097 /nfs/dbraw/zinc/14/70/97/387147097.db2.gz YMJDTVXPTAGRQZ-NSHDSACASA-N 1 3 240.347 0.917 20 0 BCADHO CCC[NH2+]CCN[C@H](C)C[C@@H]1COCCN1 ZINC000423315290 387153893 /nfs/dbraw/zinc/15/38/93/387153893.db2.gz XFGLUKVLQYDWIJ-VXGBXAGGSA-N 1 3 229.368 0.343 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000353210340 387157891 /nfs/dbraw/zinc/15/78/91/387157891.db2.gz YYWOWFMCYVZENB-JQWIXIFHSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000353210340 387157894 /nfs/dbraw/zinc/15/78/94/387157894.db2.gz YYWOWFMCYVZENB-JQWIXIFHSA-N 1 3 239.363 0.524 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000571761613 387162980 /nfs/dbraw/zinc/16/29/80/387162980.db2.gz SDSRFCAXZUHWHY-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](N)C1CC1 ZINC000423327436 387169853 /nfs/dbraw/zinc/16/98/53/387169853.db2.gz RODRJMHAULVXKR-ICCXJUOJSA-N 1 3 223.364 0.796 20 0 BCADHO C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC(=O)N1 ZINC000571820413 387177265 /nfs/dbraw/zinc/17/72/65/387177265.db2.gz CJKNGIIIBYPJQE-CKYFFXLPSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)c1ccc2c(c1)CNC2 ZINC000336354049 387183417 /nfs/dbraw/zinc/18/34/17/387183417.db2.gz TWUMMJSFUQPITH-VIFPVBQESA-N 1 3 233.315 0.709 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371261911 387184030 /nfs/dbraw/zinc/18/40/30/387184030.db2.gz FNTMVNVSWPHLPU-QJPTWQEYSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371261911 387184037 /nfs/dbraw/zinc/18/40/37/387184037.db2.gz FNTMVNVSWPHLPU-QJPTWQEYSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)C1(C)C[NH2+]C1 ZINC000423337258 387186280 /nfs/dbraw/zinc/18/62/80/387186280.db2.gz UBNQBNVVMDTZEC-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+]CCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973119 387189431 /nfs/dbraw/zinc/18/94/31/387189431.db2.gz FMKRSAOCWOESDD-LLVKDONJSA-N 1 3 225.336 0.422 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062973205 387189907 /nfs/dbraw/zinc/18/99/07/387189907.db2.gz VWGRGQKDTGHGSC-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H](N2CCCC2)C1 ZINC000062972919 387190509 /nfs/dbraw/zinc/19/05/09/387190509.db2.gz KZNNWUSZULXYPY-VXGBXAGGSA-N 1 3 237.347 0.293 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC000571879959 387191763 /nfs/dbraw/zinc/19/17/63/387191763.db2.gz DUJSTDNMMIMELF-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000300409844 387205494 /nfs/dbraw/zinc/20/54/94/387205494.db2.gz BZBKUXGHTDSPSR-FVCCEPFGSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000300409844 387205500 /nfs/dbraw/zinc/20/55/00/387205500.db2.gz BZBKUXGHTDSPSR-FVCCEPFGSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000300409848 387206038 /nfs/dbraw/zinc/20/60/38/387206038.db2.gz BZBKUXGHTDSPSR-ZDEQEGDKSA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](CCO)N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000300409848 387206041 /nfs/dbraw/zinc/20/60/41/387206041.db2.gz BZBKUXGHTDSPSR-ZDEQEGDKSA-N 1 3 244.379 0.702 20 0 BCADHO CCC(CC)C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571939396 387206559 /nfs/dbraw/zinc/20/65/59/387206559.db2.gz LLMAROOMAMJWQE-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CCC(CC)C[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571939396 387206562 /nfs/dbraw/zinc/20/65/62/387206562.db2.gz LLMAROOMAMJWQE-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CNCC[C@H]1C ZINC000423357130 387207038 /nfs/dbraw/zinc/20/70/38/387207038.db2.gz HUJDKORRHKQFJS-LPWJVIDDSA-N 1 3 241.379 0.341 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423357130 387207043 /nfs/dbraw/zinc/20/70/43/387207043.db2.gz HUJDKORRHKQFJS-LPWJVIDDSA-N 1 3 241.379 0.341 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000423406266 387244033 /nfs/dbraw/zinc/24/40/33/387244033.db2.gz UOEQPXOWUKXKGO-LMLFDSFASA-N 1 3 200.326 0.997 20 0 BCADHO CO[C@H](C)[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423406266 387244038 /nfs/dbraw/zinc/24/40/38/387244038.db2.gz UOEQPXOWUKXKGO-LMLFDSFASA-N 1 3 200.326 0.997 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423410899 387246229 /nfs/dbraw/zinc/24/62/29/387246229.db2.gz ARAAPPVANLOZFR-BYNQJWBRSA-N 1 3 249.358 0.434 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CCCN[C@H]2C)C1 ZINC000423374257 387196655 /nfs/dbraw/zinc/19/66/55/387196655.db2.gz JQXUMFAMCDVNGZ-RWMBFGLXSA-N 1 3 241.379 0.437 20 0 BCADHO CCOC[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423463902 387313192 /nfs/dbraw/zinc/31/31/92/387313192.db2.gz WNGNUXZIBJFTHV-LBELIVKGSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188185965 387256861 /nfs/dbraw/zinc/25/68/61/387256861.db2.gz WGVUUHQKFQPAIC-CHWFTXMASA-N 1 3 243.326 0.272 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186560 387257547 /nfs/dbraw/zinc/25/75/47/387257547.db2.gz DOWGRWMDRDCMTL-DTWKUNHWSA-N 1 3 231.315 0.320 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000645684864 387269695 /nfs/dbraw/zinc/26/96/95/387269695.db2.gz JSOMRTBYEPSAAP-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000372120823 387272571 /nfs/dbraw/zinc/27/25/71/387272571.db2.gz FZEPYGMGLSBVQH-QWRGUYRKSA-N 1 3 231.315 0.178 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432596 387284717 /nfs/dbraw/zinc/28/47/17/387284717.db2.gz OPQVHAYGUCXCCW-FTUHBYGFSA-N 1 3 249.358 0.337 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423450568 387300537 /nfs/dbraw/zinc/30/05/37/387300537.db2.gz FDPRGHHYEZFOEX-BQSNPHCVSA-N 1 3 221.348 0.277 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C12CCCN1CCC2 ZINC000423455638 387303607 /nfs/dbraw/zinc/30/36/07/387303607.db2.gz MSLFVDCDTFOTRA-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121501 387308905 /nfs/dbraw/zinc/30/89/05/387308905.db2.gz QRJJCFZQUKROLS-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)CC1CCCCC1 ZINC000423536228 387360366 /nfs/dbraw/zinc/36/03/66/387360366.db2.gz HDQRYWGUCFOPTD-KOLCDFICSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NCCC[NH2+]C1CC1 ZINC000423533052 387361526 /nfs/dbraw/zinc/36/15/26/387361526.db2.gz WMQFHUKSALWMGR-PWSUYJOCSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCCCN1 ZINC000643502234 387364489 /nfs/dbraw/zinc/36/44/89/387364489.db2.gz AQBZTJKMRCHJHK-UPJWGTAASA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@H]1COCCN1)NC[C@H]1CCCC[NH2+]1 ZINC000643502234 387364494 /nfs/dbraw/zinc/36/44/94/387364494.db2.gz AQBZTJKMRCHJHK-UPJWGTAASA-N 1 3 241.379 0.485 20 0 BCADHO CN(CCNC(=O)CC[NH3+])Cc1ccccc1 ZINC000263230102 387374097 /nfs/dbraw/zinc/37/40/97/387374097.db2.gz BWYIUCFQBAFDNX-UHFFFAOYSA-N 1 3 235.331 0.583 20 0 BCADHO COC[C@H]([NH2+]C[C@@H]1CNCCCO1)C(C)C ZINC000423485372 387330612 /nfs/dbraw/zinc/33/06/12/387330612.db2.gz APHYWDZGAGIUMG-RYUDHWBXSA-N 1 3 230.352 0.626 20 0 BCADHO C[C@@H](NC[C@H]1CNCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507102 387345533 /nfs/dbraw/zinc/34/55/33/387345533.db2.gz HPJYHWYXOZNWIF-UPJWGTAASA-N 1 3 240.395 0.010 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](N)CC ZINC000423779226 387425510 /nfs/dbraw/zinc/42/55/10/387425510.db2.gz UZAMCONVDOIEKQ-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](N)CC ZINC000423779226 387425512 /nfs/dbraw/zinc/42/55/12/387425512.db2.gz UZAMCONVDOIEKQ-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423842230 387433569 /nfs/dbraw/zinc/43/35/69/387433569.db2.gz GVPJVBAPVGMLJC-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423845213 387434587 /nfs/dbraw/zinc/43/45/87/387434587.db2.gz KDAPGKCKIJEDCF-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO C[NH+](C)CC1CCN([C@H]2COC[C@H]2O)CC1 ZINC000304207808 387448619 /nfs/dbraw/zinc/44/86/19/387448619.db2.gz DHCXZLSCHUZIMS-NWDGAFQWSA-N 1 3 228.336 0.020 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423950286 387456648 /nfs/dbraw/zinc/45/66/48/387456648.db2.gz NSRDMTUVQBTDCA-LLVKDONJSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423950288 387457541 /nfs/dbraw/zinc/45/75/41/387457541.db2.gz NSRDMTUVQBTDCA-NSHDSACASA-N 1 3 227.352 0.522 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)C ZINC000423611891 387387655 /nfs/dbraw/zinc/38/76/55/387387655.db2.gz ORZFXTZULBWUQB-DGCLKSJQSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423656526 387392467 /nfs/dbraw/zinc/39/24/67/387392467.db2.gz XAIJRQSEYNFKMA-DDHJBXDOSA-N 1 3 239.363 0.807 20 0 BCADHO CCC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])N(C)C ZINC000423672548 387393576 /nfs/dbraw/zinc/39/35/76/387393576.db2.gz DXGFDVUGDCWNES-OPRDCNLKSA-N 1 3 215.341 0.569 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH3+])C1)N(C)C ZINC000423971794 387460127 /nfs/dbraw/zinc/46/01/27/387460127.db2.gz HKBNZTWGCVWLFK-HBNTYKKESA-N 1 3 227.352 0.378 20 0 BCADHO CCC[C@H](C(=O)NC[C@H]([NH3+])CC)N(C)C ZINC000423676273 387395124 /nfs/dbraw/zinc/39/51/24/387395124.db2.gz IQFWTKICEUDTEA-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CCC[C@@H](C(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000423678517 387395361 /nfs/dbraw/zinc/39/53/61/387395361.db2.gz JCIPCXWCUUVARL-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336577429 387399883 /nfs/dbraw/zinc/39/98/83/387399883.db2.gz ZJOKDJDZAHWKMY-POYBYMJQSA-N 1 3 239.241 0.073 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N(C)C)C1 ZINC000423740683 387405493 /nfs/dbraw/zinc/40/54/93/387405493.db2.gz JESZPWSFXPSACW-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@H]1CN1CCCC1 ZINC000336597767 387422297 /nfs/dbraw/zinc/42/22/97/387422297.db2.gz WJLKHKNHEYFAEA-NWDGAFQWSA-N 1 3 237.347 0.435 20 0 BCADHO NC1(C(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000361727776 387526361 /nfs/dbraw/zinc/52/63/61/387526361.db2.gz MLURNTAIWDMCTE-LBPRGKRZSA-N 1 3 245.326 0.042 20 0 BCADHO C[C@@H](C(=O)N(C)CC[NH3+])N1CCCCCC1 ZINC000424003582 387464142 /nfs/dbraw/zinc/46/41/42/387464142.db2.gz LKUZRAXOIKNBSF-NSHDSACASA-N 1 3 227.352 0.668 20 0 BCADHO CN(CC[NH3+])C(=O)[C@H](N)CC1CCCCC1 ZINC000424000663 387464791 /nfs/dbraw/zinc/46/47/91/387464791.db2.gz MGLXREKBAXALPX-LLVKDONJSA-N 1 3 227.352 0.701 20 0 BCADHO N[C@H](CC(=O)NCCC[NH3+])Cc1ccccc1 ZINC000516166945 387475048 /nfs/dbraw/zinc/47/50/48/387475048.db2.gz CJBQTEWADQZREQ-LBPRGKRZSA-N 1 3 235.331 0.412 20 0 BCADHO NC1(C(=O)N2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])CC1 ZINC000374630506 387475907 /nfs/dbraw/zinc/47/59/07/387475907.db2.gz KPPRIRIKIMTQJT-KXUCPTDWSA-N 1 3 223.320 0.064 20 0 BCADHO C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424082166 387486338 /nfs/dbraw/zinc/48/63/38/387486338.db2.gz WBALTDKKHRCGQK-FXAINCCUSA-N 1 3 233.315 0.670 20 0 BCADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000362182205 387581341 /nfs/dbraw/zinc/58/13/41/387581341.db2.gz BZJZNMKJNIJSRW-JHJVBQTASA-N 1 3 244.379 0.798 20 0 BCADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362182205 387581344 /nfs/dbraw/zinc/58/13/44/387581344.db2.gz BZJZNMKJNIJSRW-JHJVBQTASA-N 1 3 244.379 0.798 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422545763 387597380 /nfs/dbraw/zinc/59/73/80/387597380.db2.gz XVIIIANAQISBSX-RCWTZXSCSA-N 1 3 227.352 0.556 20 0 BCADHO CNCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422541074 387597614 /nfs/dbraw/zinc/59/76/14/387597614.db2.gz NIOAFTHCXGPQKH-BBBLOLIVSA-N 1 3 213.325 0.038 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422599961 387604339 /nfs/dbraw/zinc/60/43/39/387604339.db2.gz SFAOZTKUQQJEIV-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NC(C)(C)CC[NH3+] ZINC000422617671 387608585 /nfs/dbraw/zinc/60/85/85/387608585.db2.gz KJIDKMRHFVDKKR-VIFPVBQESA-N 1 3 230.356 0.363 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN1CCOC[C@H]1C ZINC000422707522 387621343 /nfs/dbraw/zinc/62/13/43/387621343.db2.gz AHJPGZFMZGQCCL-QJPTWQEYSA-N 1 3 229.368 0.423 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NCCN1CCSCC1 ZINC000422712495 387625913 /nfs/dbraw/zinc/62/59/13/387625913.db2.gz OILJVMSZYZYFTK-MNOVXSKESA-N 1 3 231.409 0.751 20 0 BCADHO CC[C@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000036871591 387557525 /nfs/dbraw/zinc/55/75/25/387557525.db2.gz OXLCPTGVJUFLNZ-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)[C@@H](C(=O)NCCN(C)C1CC1)[C@@H](C)[NH3+] ZINC000399626345 387563817 /nfs/dbraw/zinc/56/38/17/387563817.db2.gz DREROQHYDLTPDK-ZYHUDNBSSA-N 1 3 241.379 0.816 20 0 BCADHO CCN(C)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399725137 387568066 /nfs/dbraw/zinc/56/80/66/387568066.db2.gz KAEIPPLJHPEDCW-GHMZBOCLSA-N 1 3 229.368 0.674 20 0 BCADHO CCCNC(=O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422728365 387637560 /nfs/dbraw/zinc/63/75/60/387637560.db2.gz FYRFVDFOVVCCTO-RYUDHWBXSA-N 1 3 241.379 0.880 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCn1ccnc1 ZINC000422728329 387638447 /nfs/dbraw/zinc/63/84/47/387638447.db2.gz FTORYXIBJNHYEB-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCCn1ccnc1 ZINC000422728327 387639099 /nfs/dbraw/zinc/63/90/99/387639099.db2.gz FTORYXIBJNHYEB-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000422728512 387639305 /nfs/dbraw/zinc/63/93/05/387639305.db2.gz JESOFHNZHHQDMH-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430698384 387641006 /nfs/dbraw/zinc/64/10/06/387641006.db2.gz VAUFGXGTFJJSKZ-DGCLKSJQSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000430698389 387641090 /nfs/dbraw/zinc/64/10/90/387641090.db2.gz VAUFGXGTFJJSKZ-YPMHNXCESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1N)N(C)C1CC1 ZINC000422738355 387645122 /nfs/dbraw/zinc/64/51/22/387645122.db2.gz JOIBROQQBKTSFF-JLLWLGSASA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430741806 387646382 /nfs/dbraw/zinc/64/63/82/387646382.db2.gz FAWGICLFOIDAFB-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](N)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430741806 387646386 /nfs/dbraw/zinc/64/63/86/387646386.db2.gz FAWGICLFOIDAFB-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO COCCOCCCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422793911 387695178 /nfs/dbraw/zinc/69/51/78/387695178.db2.gz XQGULAARKGCTFH-NEPJUHHUSA-N 1 3 230.352 0.627 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1C ZINC000430783610 387652561 /nfs/dbraw/zinc/65/25/61/387652561.db2.gz MZVHILXFVFFRAM-ZJUUUORDSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1C ZINC000430783610 387652564 /nfs/dbraw/zinc/65/25/64/387652564.db2.gz MZVHILXFVFFRAM-ZJUUUORDSA-N 1 3 225.336 0.419 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362770829 387657708 /nfs/dbraw/zinc/65/77/08/387657708.db2.gz VHGPEADBUHYNEG-WDEREUQCSA-N 1 3 227.352 0.252 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362770829 387657710 /nfs/dbraw/zinc/65/77/10/387657710.db2.gz VHGPEADBUHYNEG-WDEREUQCSA-N 1 3 227.352 0.252 20 0 BCADHO CCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430889281 387658520 /nfs/dbraw/zinc/65/85/20/387658520.db2.gz KRAXNZAQDYHBOR-NWDGAFQWSA-N 1 3 239.363 0.809 20 0 BCADHO Cc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccn1 ZINC000527664516 387666505 /nfs/dbraw/zinc/66/65/05/387666505.db2.gz JPKOHOFPOMCSGP-UHFFFAOYSA-N 1 3 249.358 0.936 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCN1CCCC1 ZINC000422763904 387666719 /nfs/dbraw/zinc/66/67/19/387666719.db2.gz OBAVCOZMGFOXAG-RYUDHWBXSA-N 1 3 211.353 0.670 20 0 BCADHO C[C@H](C[NH2+][C@H](C)C[C@H](C)N)CN1CCOCC1 ZINC000422769078 387668231 /nfs/dbraw/zinc/66/82/31/387668231.db2.gz SQOXGHWFWHRXES-FRRDWIJNSA-N 1 3 243.395 0.670 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCC[NH3+] ZINC000431023871 387669906 /nfs/dbraw/zinc/66/99/06/387669906.db2.gz JIKYCUZHMPWJJC-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CCC[NH3+] ZINC000431023868 387670035 /nfs/dbraw/zinc/67/00/35/387670035.db2.gz JIKYCUZHMPWJJC-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)N(C)C ZINC000422770421 387670169 /nfs/dbraw/zinc/67/01/69/387670169.db2.gz WPBPBZRWVQOUMI-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000126462803 387683402 /nfs/dbraw/zinc/68/34/02/387683402.db2.gz CBUDERRNLUKJAS-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000126462803 387683408 /nfs/dbraw/zinc/68/34/08/387683408.db2.gz CBUDERRNLUKJAS-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CN(C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422743142 387689174 /nfs/dbraw/zinc/68/91/74/387689174.db2.gz HZRHXBWSIYJMEF-STQMWFEESA-N 1 3 241.379 0.295 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000422864482 387747249 /nfs/dbraw/zinc/74/72/49/387747249.db2.gz NEOVXFFAMMNSOR-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC[NH2+][C@@H]1CCC[C@H]1N)C1CC1 ZINC000422875913 387752537 /nfs/dbraw/zinc/75/25/37/387752537.db2.gz DKYISKXJWZSAJT-VXGBXAGGSA-N 1 3 211.353 0.940 20 0 BCADHO CC[C@@H](C(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000629614104 387713718 /nfs/dbraw/zinc/71/37/18/387713718.db2.gz YIOZXAFMIPKRES-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCC[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)[NH+](C)C ZINC000422820380 387717342 /nfs/dbraw/zinc/71/73/42/387717342.db2.gz QGTOLAODEUSQAR-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]2N)CCSC1 ZINC000422828084 387722348 /nfs/dbraw/zinc/72/23/48/387722348.db2.gz SSDFZLGQSLSLBZ-TUAOUCFPSA-N 1 3 243.420 0.893 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]C)N(C)C ZINC000422832754 387726390 /nfs/dbraw/zinc/72/63/90/387726390.db2.gz VNLROTGQJGVOEP-WDEREUQCSA-N 1 3 229.368 0.688 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000367617559 387733278 /nfs/dbraw/zinc/73/32/78/387733278.db2.gz QPEUVYMFDYCPGN-UMSGYPCISA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000367617557 387733332 /nfs/dbraw/zinc/73/33/32/387733332.db2.gz QPEUVYMFDYCPGN-RVMXOQNASA-N 1 3 242.363 0.456 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424142706 387737392 /nfs/dbraw/zinc/73/73/92/387737392.db2.gz ITRASRYKDXAVGT-DBIOUOCHSA-N 1 3 225.336 0.323 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377749618 387739831 /nfs/dbraw/zinc/73/98/31/387739831.db2.gz WNAIHSWHWKSMEN-VWYCJHECSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000422856566 387741640 /nfs/dbraw/zinc/74/16/40/387741640.db2.gz WYIQCVIBHHYEOR-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000441619171 387772896 /nfs/dbraw/zinc/77/28/96/387772896.db2.gz ZLRPFXZTKNFSPB-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N1C[C@@H](N[C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927213 387779841 /nfs/dbraw/zinc/77/98/41/387779841.db2.gz YKADLUQMUWJRPV-AXFHLTTASA-N 1 3 227.352 0.711 20 0 BCADHO CC(C)N1C[C@H](N[C@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927216 387780497 /nfs/dbraw/zinc/78/04/97/387780497.db2.gz YKADLUQMUWJRPV-HBNTYKKESA-N 1 3 227.352 0.711 20 0 BCADHO CC[NH+]1CCC(NC[C@@H](O)[C@H]2CCCO2)CC1 ZINC000527949195 387783330 /nfs/dbraw/zinc/78/33/30/387783330.db2.gz FYQFUQMHKBUTOO-CHWSQXEVSA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)COC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422978408 387788875 /nfs/dbraw/zinc/78/88/75/387788875.db2.gz ZJQPCHWYWRBXPX-XQQFMLRXSA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422978408 387788878 /nfs/dbraw/zinc/78/88/78/387788878.db2.gz ZJQPCHWYWRBXPX-XQQFMLRXSA-N 1 3 244.379 0.737 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193523568 387795578 /nfs/dbraw/zinc/79/55/78/387795578.db2.gz XFAXHGSYCJOJHR-KXUCPTDWSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000193566411 387795820 /nfs/dbraw/zinc/79/58/20/387795820.db2.gz ALTKNOAHQHZACR-GMTAPVOTSA-N 1 3 225.336 0.385 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000422882206 387758478 /nfs/dbraw/zinc/75/84/78/387758478.db2.gz ANSOPOXLIDFQHJ-FRRDWIJNSA-N 1 3 241.379 0.424 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000422882206 387758481 /nfs/dbraw/zinc/75/84/81/387758481.db2.gz ANSOPOXLIDFQHJ-FRRDWIJNSA-N 1 3 241.379 0.424 20 0 BCADHO CC[C@H](CCO)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000422974147 387823862 /nfs/dbraw/zinc/82/38/62/387823862.db2.gz DHSISHFMTAGSET-GMTAPVOTSA-N 1 3 200.326 0.735 20 0 BCADHO COc1cccc(CCNC2CC[NH2+]CC2)n1 ZINC000423005153 387825368 /nfs/dbraw/zinc/82/53/68/387825368.db2.gz LPVZNHHJAIAKHT-UHFFFAOYSA-N 1 3 235.331 0.974 20 0 BCADHO COc1cccc(CC[NH2+]C2CCNCC2)n1 ZINC000423005153 387825374 /nfs/dbraw/zinc/82/53/74/387825374.db2.gz LPVZNHHJAIAKHT-UHFFFAOYSA-N 1 3 235.331 0.974 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCC(C)(C)CCO ZINC000423008952 387831008 /nfs/dbraw/zinc/83/10/08/387831008.db2.gz UXDTYQQPPDBUAA-GHMZBOCLSA-N 1 3 214.353 0.983 20 0 BCADHO CC[NH2+]CCNC(=O)N1CCN2CCC1CC2 ZINC000418325010 387831487 /nfs/dbraw/zinc/83/14/87/387831487.db2.gz LKFSEZUIFNPTPU-UHFFFAOYSA-N 1 3 240.351 0.086 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CN1C1CC1 ZINC000643537566 387873173 /nfs/dbraw/zinc/87/31/73/387873173.db2.gz LTQMSUYWXIRTEM-NOOOWODRSA-N 1 3 241.354 0.901 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CN1C1CC1 ZINC000643537566 387873177 /nfs/dbraw/zinc/87/31/77/387873177.db2.gz LTQMSUYWXIRTEM-NOOOWODRSA-N 1 3 241.354 0.901 20 0 BCADHO C[C@H](NC[C@@]1(O)CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423033440 387848621 /nfs/dbraw/zinc/84/86/21/387848621.db2.gz GRQNZEXYXHDOEF-AVGNSLFASA-N 1 3 241.379 0.173 20 0 BCADHO C[C@H](NC[C@@]1(O)CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033445 387849402 /nfs/dbraw/zinc/84/94/02/387849402.db2.gz GRQNZEXYXHDOEF-XQQFMLRXSA-N 1 3 241.379 0.173 20 0 BCADHO COC(=O)CC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193620830 387857404 /nfs/dbraw/zinc/85/74/04/387857404.db2.gz QPVNGEXUSAUNCE-AOOOYVTPSA-N 1 3 212.293 0.043 20 0 BCADHO COC(=O)CC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193620830 387857409 /nfs/dbraw/zinc/85/74/09/387857409.db2.gz QPVNGEXUSAUNCE-AOOOYVTPSA-N 1 3 212.293 0.043 20 0 BCADHO COCCCCN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193623588 387859499 /nfs/dbraw/zinc/85/94/99/387859499.db2.gz GCLSGENXYSCLEA-TXEJJXNPSA-N 1 3 212.337 0.906 20 0 BCADHO COCCCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193623588 387859501 /nfs/dbraw/zinc/85/95/01/387859501.db2.gz GCLSGENXYSCLEA-TXEJJXNPSA-N 1 3 212.337 0.906 20 0 BCADHO CC(C)OC[C@H](O)C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193629307 387860511 /nfs/dbraw/zinc/86/05/11/387860511.db2.gz DNAIVNOCVWCRPN-FRRDWIJNSA-N 1 3 242.363 0.266 20 0 BCADHO CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193629307 387860516 /nfs/dbraw/zinc/86/05/16/387860516.db2.gz DNAIVNOCVWCRPN-FRRDWIJNSA-N 1 3 242.363 0.266 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537238 387874745 /nfs/dbraw/zinc/87/47/45/387874745.db2.gz BOHUJULCLFQLRP-MRBYEJRBSA-N 1 3 241.354 0.759 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000433136281 387869765 /nfs/dbraw/zinc/86/97/65/387869765.db2.gz XGVIPXJUTALDHZ-OUAUKWLOSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000433136282 387869949 /nfs/dbraw/zinc/86/99/49/387869949.db2.gz XGVIPXJUTALDHZ-VWYCJHECSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000433136280 387869965 /nfs/dbraw/zinc/86/99/65/387869965.db2.gz XGVIPXJUTALDHZ-MXWKQRLJSA-N 1 3 227.352 0.426 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000424181171 387892555 /nfs/dbraw/zinc/89/25/55/387892555.db2.gz XDDYSRGBXASULS-XQQFMLRXSA-N 1 3 245.326 0.337 20 0 BCADHO CC(C)[C@H](CO)CN[C@H]1CCC[C@H]1[NH3+] ZINC000423113617 387895646 /nfs/dbraw/zinc/89/56/46/387895646.db2.gz URDDIACRLQAHNO-AXFHLTTASA-N 1 3 200.326 0.720 20 0 BCADHO COC(=O)[C@H]1CC[C@@H](N[C@H](C)[C@H]2CC[NH2+]C2)C1 ZINC000423082057 387879324 /nfs/dbraw/zinc/87/93/24/387879324.db2.gz CJDTXFNQDNRYHD-NOOOWODRSA-N 1 3 240.347 0.916 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN1CC=CCC1 ZINC000423094545 387884894 /nfs/dbraw/zinc/88/48/94/387884894.db2.gz KJDWDJUSJMLSPO-RYUDHWBXSA-N 1 3 211.353 0.964 20 0 BCADHO N[C@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423100269 387887894 /nfs/dbraw/zinc/88/78/94/387887894.db2.gz UZHYGJWXIURFPS-RYUDHWBXSA-N 1 3 209.337 0.718 20 0 BCADHO [NH3+][C@H]1CCC[C@@H]1NCCN1CC=CCC1 ZINC000423100269 387887899 /nfs/dbraw/zinc/88/78/99/387887899.db2.gz UZHYGJWXIURFPS-RYUDHWBXSA-N 1 3 209.337 0.718 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000514671796 387919508 /nfs/dbraw/zinc/91/95/08/387919508.db2.gz FXCDCEQUZJCNBG-GUBZILKMSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000423133977 387911515 /nfs/dbraw/zinc/91/15/15/387911515.db2.gz QYROEHKQPCDSNT-VWYCJHECSA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@H](O)C[NH2+][C@H]1CCNCC[C@H]1C ZINC000423133977 387911516 /nfs/dbraw/zinc/91/15/16/387911516.db2.gz QYROEHKQPCDSNT-VWYCJHECSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](CO)C1CC1 ZINC000423138683 387915814 /nfs/dbraw/zinc/91/58/14/387915814.db2.gz JUHVTPSDDQQWHR-YUSALJHKSA-N 1 3 212.337 0.593 20 0 BCADHO NC[C@H](C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000237797038 387929296 /nfs/dbraw/zinc/92/92/96/387929296.db2.gz ZJWZGOTVEDERED-ZDUSSCGKSA-N 1 3 247.342 0.679 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000237231484 387924700 /nfs/dbraw/zinc/92/47/00/387924700.db2.gz XRKJRGDSOPNWSJ-CYBMUJFWSA-N 1 3 249.358 0.495 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430890910 387937169 /nfs/dbraw/zinc/93/71/69/387937169.db2.gz TXONFQZHWAOYOC-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)[C@H](CO)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423107960 387945678 /nfs/dbraw/zinc/94/56/78/387945678.db2.gz LTVFHOBPWRFGCA-SDDRHHMPSA-N 1 3 214.353 0.839 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[C@H]1O ZINC000423163612 387946290 /nfs/dbraw/zinc/94/62/90/387946290.db2.gz MZQQMJLIHAPEBA-NNYUYHANSA-N 1 3 212.337 0.735 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCNc1ccncc1 ZINC000645642547 387947110 /nfs/dbraw/zinc/94/71/10/387947110.db2.gz JDDYMDRDDUVMJF-NXEZZACHSA-N 1 3 236.319 0.015 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)NCCNc1ccncc1 ZINC000645643186 387947429 /nfs/dbraw/zinc/94/74/29/387947429.db2.gz QQVKWUJXUNZADA-LLVKDONJSA-N 1 3 248.330 0.030 20 0 BCADHO CCN1C[C@H](C)[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423194366 387979675 /nfs/dbraw/zinc/97/96/75/387979675.db2.gz RIFYWLYSTIMCIR-SDDRHHMPSA-N 1 3 211.353 0.668 20 0 BCADHO C[NH2+]CCCN[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423201267 387987866 /nfs/dbraw/zinc/98/78/66/387987866.db2.gz OGSCVBBTMPMLRY-MNOVXSKESA-N 1 3 211.353 0.811 20 0 BCADHO FC1(F)CNCC[C@@H]1CNC[C@H]1CCC[NH2+]C1 ZINC000424364197 387990008 /nfs/dbraw/zinc/99/00/08/387990008.db2.gz DBFFKPOVKTZIID-WDEREUQCSA-N 1 3 247.333 0.820 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+]C[C@H]1CCCNC1 ZINC000424364197 387990014 /nfs/dbraw/zinc/99/00/14/387990014.db2.gz DBFFKPOVKTZIID-WDEREUQCSA-N 1 3 247.333 0.820 20 0 BCADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccco1 ZINC000423205313 387991200 /nfs/dbraw/zinc/99/12/00/387991200.db2.gz PCDSXINENPILAT-NSHDSACASA-N 1 3 223.320 0.835 20 0 BCADHO COCCN1CC[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423196948 387981992 /nfs/dbraw/zinc/98/19/92/387981992.db2.gz XAAPJVBOPYMSQY-NEPJUHHUSA-N 1 3 227.352 0.049 20 0 BCADHO C[NH2+]CCCN[C@H]1CN(C2CC2)C[C@H]1C ZINC000423200329 387986692 /nfs/dbraw/zinc/98/66/92/387986692.db2.gz LVEBNANFCIWRAK-PWSUYJOCSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)(N)C[NH2+]C[C@H]1CCNCC1(F)F ZINC000424374142 388000125 /nfs/dbraw/zinc/00/01/25/388000125.db2.gz YQCWBYWNASYSOK-MRVPVSSYSA-N 1 3 221.295 0.558 20 0 BCADHO CC(C)([NH3+])CNC[C@H]1CCNCC1(F)F ZINC000424374142 388000127 /nfs/dbraw/zinc/00/01/27/388000127.db2.gz YQCWBYWNASYSOK-MRVPVSSYSA-N 1 3 221.295 0.558 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@@H+]1C ZINC000446369196 388016741 /nfs/dbraw/zinc/01/67/41/388016741.db2.gz LMWJXAJYGOEMGQ-VPOLOUISSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@H+]1C ZINC000446369196 388016743 /nfs/dbraw/zinc/01/67/43/388016743.db2.gz LMWJXAJYGOEMGQ-VPOLOUISSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000446363886 388016904 /nfs/dbraw/zinc/01/69/04/388016904.db2.gz QRVWWBVCEYQBPX-TUAOUCFPSA-N 1 3 237.347 0.291 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082256338 388019812 /nfs/dbraw/zinc/01/98/12/388019812.db2.gz JDKXVZJHAHBPJH-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082256338 388019815 /nfs/dbraw/zinc/01/98/15/388019815.db2.gz JDKXVZJHAHBPJH-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](C1CC1)[C@@H]1CNCCO1 ZINC000423256204 388036440 /nfs/dbraw/zinc/03/64/40/388036440.db2.gz BMMSIJQCHRXKFI-WCFLWFBJSA-N 1 3 241.379 0.199 20 0 BCADHO NC1(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000083834652 388063462 /nfs/dbraw/zinc/06/34/62/388063462.db2.gz ZGKSTHHLDMTOAM-UHFFFAOYSA-N 1 3 223.320 0.221 20 0 BCADHO NCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000083907653 388066435 /nfs/dbraw/zinc/06/64/35/388066435.db2.gz GMSLLRXWMDDSDS-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](N)C(C)C)C1 ZINC000423285267 388068219 /nfs/dbraw/zinc/06/82/19/388068219.db2.gz YZPUEHKUKQQGMF-QJPTWQEYSA-N 1 3 213.369 0.900 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)N ZINC000423286469 388071949 /nfs/dbraw/zinc/07/19/49/388071949.db2.gz HOALSQHSCUDTSM-MWLCHTKSSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NCC(C)(C)[NH3+] ZINC000423286469 388071952 /nfs/dbraw/zinc/07/19/52/388071952.db2.gz HOALSQHSCUDTSM-MWLCHTKSSA-N 1 3 211.353 0.796 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000447514879 388075908 /nfs/dbraw/zinc/07/59/08/388075908.db2.gz ILSLYOSNLJWUTC-SDDRHHMPSA-N 1 3 241.379 0.829 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423295044 388077736 /nfs/dbraw/zinc/07/77/36/388077736.db2.gz DHQPBTNNALNWEV-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CCCC[C@H](CN)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000423298291 388079545 /nfs/dbraw/zinc/07/95/45/388079545.db2.gz NYGOWRZQEXUYJY-YNEHKIRRSA-N 1 3 243.395 0.861 20 0 BCADHO CCCC[C@H](C[NH3+])N[C@@H](C)C[C@@H]1COCCN1 ZINC000423298291 388079548 /nfs/dbraw/zinc/07/95/48/388079548.db2.gz NYGOWRZQEXUYJY-YNEHKIRRSA-N 1 3 243.395 0.861 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447914266 388102337 /nfs/dbraw/zinc/10/23/37/388102337.db2.gz OSFHEUMKXGXGKL-AGIUHOORSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N ZINC000086932263 388111564 /nfs/dbraw/zinc/11/15/64/388111564.db2.gz NFMISMLWBUSGDI-NXEZZACHSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(C)(C)N ZINC000086932263 388111566 /nfs/dbraw/zinc/11/15/66/388111566.db2.gz NFMISMLWBUSGDI-NXEZZACHSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000646012647 388124422 /nfs/dbraw/zinc/12/44/22/388124422.db2.gz UWUZFCYNASVJDT-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000449061712 388137237 /nfs/dbraw/zinc/13/72/37/388137237.db2.gz JMGWJWVOAGAXPF-SNVBAGLBSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000449061711 388137724 /nfs/dbraw/zinc/13/77/24/388137724.db2.gz JMGWJWVOAGAXPF-JTQLQIEISA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000449085088 388140478 /nfs/dbraw/zinc/14/04/78/388140478.db2.gz KENNZTNJVBQFLQ-KOLCDFICSA-N 1 3 225.336 0.467 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000449102828 388142830 /nfs/dbraw/zinc/14/28/30/388142830.db2.gz LUZHRFXVVBLWKK-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](C)NC1CC1)C(C)C ZINC000449112409 388144826 /nfs/dbraw/zinc/14/48/26/388144826.db2.gz CENFHDTYMZUVOB-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](C)NC1CC1)C(C)C ZINC000449112409 388144828 /nfs/dbraw/zinc/14/48/28/388144828.db2.gz CENFHDTYMZUVOB-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449119334 388145389 /nfs/dbraw/zinc/14/53/89/388145389.db2.gz YDJRYGGQAAAVLX-MWLCHTKSSA-N 1 3 227.352 0.617 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](C)NC1CC1 ZINC000449131934 388147239 /nfs/dbraw/zinc/14/72/39/388147239.db2.gz QLCSRBKVIOZBOR-VIFPVBQESA-N 1 3 227.352 0.761 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449144280 388148065 /nfs/dbraw/zinc/14/80/65/388148065.db2.gz SKPDWHHWYUVHMB-MWLCHTKSSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000449179716 388154247 /nfs/dbraw/zinc/15/42/47/388154247.db2.gz WOGZAPKQANRIEJ-KXUCPTDWSA-N 1 3 225.336 0.336 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000449497743 388218533 /nfs/dbraw/zinc/21/85/33/388218533.db2.gz RMSAHQLZMDDTLI-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C(C)(C)C[NH3+])CCN1 ZINC000646327504 388227680 /nfs/dbraw/zinc/22/76/80/388227680.db2.gz CLCMAZMUTTWZQW-SNVBAGLBSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)CCN1 ZINC000646327538 388228377 /nfs/dbraw/zinc/22/83/77/388228377.db2.gz FEGMWYSUOPMYAW-MNOVXSKESA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC2(C[NH3+])CC2)CCN1 ZINC000646329681 388235521 /nfs/dbraw/zinc/23/55/21/388235521.db2.gz SURJFXQREQPOLW-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449582802 388238499 /nfs/dbraw/zinc/23/84/99/388238499.db2.gz ARMDPJZCVRIYIO-JBDRJPRFSA-N 1 3 201.314 0.212 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449599346 388240266 /nfs/dbraw/zinc/24/02/66/388240266.db2.gz GJDFLTWLFAIZTA-HLTSFMKQSA-N 1 3 201.314 0.356 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000449603759 388240771 /nfs/dbraw/zinc/24/07/71/388240771.db2.gz WGKZUPKWWGBACU-XHNCKOQMSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])N(C)C ZINC000449605907 388240994 /nfs/dbraw/zinc/24/09/94/388240994.db2.gz XHKGTFPDGFIANV-GUBZILKMSA-N 1 3 215.341 0.425 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449608736 388241176 /nfs/dbraw/zinc/24/11/76/388241176.db2.gz JTVDGLCODNAFMX-XLPZGREQSA-N 1 3 237.294 0.459 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000449608491 388241445 /nfs/dbraw/zinc/24/14/45/388241445.db2.gz IBYGKBPGVGWQJF-BDAKNGLRSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000449608493 388241566 /nfs/dbraw/zinc/24/15/66/388241566.db2.gz IBYGKBPGVGWQJF-IUCAKERBSA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](C(C)C)N(C)C ZINC000449608915 388242056 /nfs/dbraw/zinc/24/20/56/388242056.db2.gz LJAVFVBJGHHGSM-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000449622302 388244085 /nfs/dbraw/zinc/24/40/85/388244085.db2.gz JTVDGLCODNAFMX-PRJMDXOYSA-N 1 3 237.294 0.459 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000449629233 388245853 /nfs/dbraw/zinc/24/58/53/388245853.db2.gz FETOXZFWDVHDRG-TUAOUCFPSA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449633095 388246105 /nfs/dbraw/zinc/24/61/05/388246105.db2.gz OSAUPSJAYJONDW-YFKTTZPYSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449635622 388246966 /nfs/dbraw/zinc/24/69/66/388246966.db2.gz UXAWOVDHBBJAMY-GARJFASQSA-N 1 3 241.379 0.994 20 0 BCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H]1CCOC1)C2 ZINC000629585643 388283102 /nfs/dbraw/zinc/28/31/02/388283102.db2.gz ZVABNHPZNXJVQT-UPJWGTAASA-N 1 3 224.348 0.954 20 0 BCADHO CN(C)C/C=C\C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000491636822 388307356 /nfs/dbraw/zinc/30/73/56/388307356.db2.gz HWEIWKYPJBKFAG-VFFGBVLKSA-N 1 3 239.363 0.657 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)/C=C\C[NH+](C)C ZINC000491845204 388324512 /nfs/dbraw/zinc/32/45/12/388324512.db2.gz JSPNEYNCADRAJC-FJOGCWAESA-N 1 3 239.363 0.657 20 0 BCADHO CN(C(=O)/C=C\C[NH+](C)C)[C@H]1CCCN(C)C1 ZINC000491901823 388326948 /nfs/dbraw/zinc/32/69/48/388326948.db2.gz CHUZCESSFKZCQX-VFFGBVLKSA-N 1 3 239.363 0.657 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)/C=C\CN(C)C)C1 ZINC000491913631 388327603 /nfs/dbraw/zinc/32/76/03/388327603.db2.gz LSIKQQIYEQHZTB-RXNFCKPNSA-N 1 3 239.363 0.562 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)/C=C\CN(C)C)C1 ZINC000491913631 388327604 /nfs/dbraw/zinc/32/76/04/388327604.db2.gz LSIKQQIYEQHZTB-RXNFCKPNSA-N 1 3 239.363 0.562 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336006 388261754 /nfs/dbraw/zinc/26/17/54/388261754.db2.gz FMCHKZOETMXOMY-OUAUKWLOSA-N 1 3 225.336 0.180 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)CCC[NH+](C)C ZINC000492327227 388341657 /nfs/dbraw/zinc/34/16/57/388341657.db2.gz YXDVIESXZVOCSV-SOFGYWHQSA-N 1 3 227.352 0.514 20 0 BCADHO CC[C@@H]1C[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000300387916 388364826 /nfs/dbraw/zinc/36/48/26/388364826.db2.gz PXZUCGYICIDGIM-GRYCIOLGSA-N 1 3 212.337 0.831 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753793 388367874 /nfs/dbraw/zinc/36/78/74/388367874.db2.gz RWBLPQSBCDCLIJ-GHMZBOCLSA-N 1 3 223.324 0.528 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000646533892 388377410 /nfs/dbraw/zinc/37/74/10/388377410.db2.gz OZYWQBKVGGAZEZ-JQWIXIFHSA-N 1 3 239.363 0.524 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOCC(F)F ZINC000236212940 388378512 /nfs/dbraw/zinc/37/85/12/388378512.db2.gz VPVUMRCDPGSVQE-BDAKNGLRSA-N 1 3 222.279 0.985 20 0 BCADHO NC[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000236212940 388378515 /nfs/dbraw/zinc/37/85/15/388378515.db2.gz VPVUMRCDPGSVQE-BDAKNGLRSA-N 1 3 222.279 0.985 20 0 BCADHO CN(C)CCN(C(=O)CC(C)(C)[NH3+])C1CC1 ZINC000646542569 388379332 /nfs/dbraw/zinc/37/93/32/388379332.db2.gz HTZZEAZWNXLLLH-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000519712146 256657181 /nfs/dbraw/zinc/65/71/81/256657181.db2.gz LJARQLKHFWYJFQ-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000236802932 388383223 /nfs/dbraw/zinc/38/32/23/388383223.db2.gz WKNPBLWPMSTMNS-UWVGGRQHSA-N 1 3 215.341 0.476 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000236809940 388383882 /nfs/dbraw/zinc/38/38/82/388383882.db2.gz MGGUKHOLZFJOMF-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO NC1(C(=O)Nc2cccc(C[NH3+])c2)CCC1 ZINC000646579240 388388506 /nfs/dbraw/zinc/38/85/06/388388506.db2.gz CTYFBNIVOLMHEE-UHFFFAOYSA-N 1 3 219.288 0.965 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC1([NH3+])CCCCC1 ZINC000646584641 388390672 /nfs/dbraw/zinc/39/06/72/388390672.db2.gz RJMSENFCVNXAOL-SNVBAGLBSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CNCCC1(F)F)[C@H](C)[NH3+] ZINC000520228406 256666148 /nfs/dbraw/zinc/66/61/48/256666148.db2.gz JTOPDQWOQYBGMN-CSMHCCOUSA-N 1 3 235.278 0.083 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000237230222 388392011 /nfs/dbraw/zinc/39/20/11/388392011.db2.gz VJWREKLGQPOVKD-GFCCVEGCSA-N 1 3 249.358 0.843 20 0 BCADHO COc1ccccc1[C@H](N)CNC(=O)[C@H](C)[NH3+] ZINC000646600429 388393640 /nfs/dbraw/zinc/39/36/40/388393640.db2.gz LYIOQPQVCBJRQQ-WCBMZHEXSA-N 1 3 237.303 0.158 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000646732572 388440711 /nfs/dbraw/zinc/44/07/11/388440711.db2.gz STBFLVOKHJRBEK-JTQLQIEISA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000261536878 135173479 /nfs/dbraw/zinc/17/34/79/135173479.db2.gz UBTRAPXZOWBJSU-JGVFFNPUSA-N 1 3 201.314 0.213 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000405306333 388459072 /nfs/dbraw/zinc/45/90/72/388459072.db2.gz QOFRJRNATHAOOX-QJPTWQEYSA-N 1 3 239.363 0.666 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000646682491 388415080 /nfs/dbraw/zinc/41/50/80/388415080.db2.gz ZXGICALNLODVQD-ZDUSSCGKSA-N 1 3 247.342 0.599 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000646688191 388417146 /nfs/dbraw/zinc/41/71/46/388417146.db2.gz YTROQOKXTQYBCP-ONGXEEELSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000646713445 388426644 /nfs/dbraw/zinc/42/66/44/388426644.db2.gz LQNZOOKCBNHBAS-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO N[C@H]1C[C@H]2C[N@H+](CC3CCC3)CCN2C1=O ZINC000573220608 388433490 /nfs/dbraw/zinc/43/34/90/388433490.db2.gz HACRXBOHSUZUSF-QWRGUYRKSA-N 1 3 223.320 0.030 20 0 BCADHO N[C@H]1C[C@H]2C[N@@H+](CC3CCC3)CCN2C1=O ZINC000573220608 388433493 /nfs/dbraw/zinc/43/34/93/388433493.db2.gz HACRXBOHSUZUSF-QWRGUYRKSA-N 1 3 223.320 0.030 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CC[C@@H]1[NH3+] ZINC000646762919 388486940 /nfs/dbraw/zinc/48/69/40/388486940.db2.gz DSBMWTKFGSZUGQ-KXUCPTDWSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000646769962 388493176 /nfs/dbraw/zinc/49/31/76/388493176.db2.gz NPZXQJNSESOAOR-VWYCJHECSA-N 1 3 239.363 0.713 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH3+] ZINC000646783278 388501371 /nfs/dbraw/zinc/50/13/71/388501371.db2.gz ZPBOAJVVJGAVMK-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000517390411 388549280 /nfs/dbraw/zinc/54/92/80/388549280.db2.gz HJPDZBAEERUROQ-IUCAKERBSA-N 1 3 201.314 0.084 20 0 BCADHO CN1CCC(O)(C[NH2+]CC2=CCCOC2)CC1 ZINC000344550639 388507784 /nfs/dbraw/zinc/50/77/84/388507784.db2.gz KLDSOPLOOIIXKV-UHFFFAOYSA-N 1 3 240.347 0.379 20 0 BCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCCO1 ZINC000346608340 388520330 /nfs/dbraw/zinc/52/03/30/388520330.db2.gz PKCKBXKGXMWLQS-VXGBXAGGSA-N 1 3 242.363 0.600 20 0 BCADHO O=C(NCCN1CCCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649281979 388525096 /nfs/dbraw/zinc/52/50/96/388525096.db2.gz ADEDBUOQMCXOHN-GDNZZTSVSA-N 1 3 237.347 0.054 20 0 BCADHO COC[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593435 388532694 /nfs/dbraw/zinc/53/26/94/388532694.db2.gz NUIIRCAKUODQTP-CHWSQXEVSA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593435 388532697 /nfs/dbraw/zinc/53/26/97/388532697.db2.gz NUIIRCAKUODQTP-CHWSQXEVSA-N 1 3 242.363 0.456 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649310974 388596662 /nfs/dbraw/zinc/59/66/62/388596662.db2.gz RJRBPTJTUCUWIA-QCNOEVLYSA-N 1 3 237.347 0.195 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000358125716 388553305 /nfs/dbraw/zinc/55/33/05/388553305.db2.gz IOAAQHIFLBBEKF-NEPJUHHUSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000358125716 388553308 /nfs/dbraw/zinc/55/33/08/388553308.db2.gz IOAAQHIFLBBEKF-NEPJUHHUSA-N 1 3 241.379 0.688 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000517569944 388554738 /nfs/dbraw/zinc/55/47/38/388554738.db2.gz UANWWOIDDRHIRD-DTWKUNHWSA-N 1 3 249.305 0.603 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218774 388631218 /nfs/dbraw/zinc/63/12/18/388631218.db2.gz HBLRMGDVRMRREV-LVFLEHKBSA-N 1 3 210.321 0.882 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COCCN1 ZINC000530223147 388632947 /nfs/dbraw/zinc/63/29/47/388632947.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COCCN1 ZINC000530223147 388632948 /nfs/dbraw/zinc/63/29/48/388632948.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1COCCN1 ZINC000530223147 388632949 /nfs/dbraw/zinc/63/29/49/388632949.db2.gz OVCHITABKMLWBW-LPWJVIDDSA-N 1 3 241.379 0.293 20 0 BCADHO CN(C)CC(C)(C)CNC1=[NH+]CCCN1 ZINC000261949631 135265484 /nfs/dbraw/zinc/26/54/84/135265484.db2.gz GZKCKZYPFFBNBH-UHFFFAOYSA-N 1 3 212.341 0.513 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@H]1CCOC1(C)C)C1CC1 ZINC000328470466 388644094 /nfs/dbraw/zinc/64/40/94/388644094.db2.gz ZLLYANTYAMAKSZ-RYUDHWBXSA-N 1 3 242.363 0.599 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@H]1CCOC1(C)C)C1CC1 ZINC000328470466 388644095 /nfs/dbraw/zinc/64/40/95/388644095.db2.gz ZLLYANTYAMAKSZ-RYUDHWBXSA-N 1 3 242.363 0.599 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000227156217 388742270 /nfs/dbraw/zinc/74/22/70/388742270.db2.gz CAVNVERAWKZOCL-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000227156217 388742272 /nfs/dbraw/zinc/74/22/72/388742272.db2.gz CAVNVERAWKZOCL-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000227156210 388742306 /nfs/dbraw/zinc/74/23/06/388742306.db2.gz CAVNVERAWKZOCL-QWRGUYRKSA-N 1 3 227.352 0.441 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000227156210 388742309 /nfs/dbraw/zinc/74/23/09/388742309.db2.gz CAVNVERAWKZOCL-QWRGUYRKSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@@H+]1C ZINC000128298958 388745501 /nfs/dbraw/zinc/74/55/01/388745501.db2.gz HHRVXZNVTQOLSG-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@H](NCCNC(=O)C2CC2)CC[N@H+]1C ZINC000128298958 388745503 /nfs/dbraw/zinc/74/55/03/388745503.db2.gz HHRVXZNVTQOLSG-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193500119 388706495 /nfs/dbraw/zinc/70/64/95/388706495.db2.gz FOLMXAFBLYJHON-KXUCPTDWSA-N 1 3 245.392 0.324 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)[N@H+](C)C1CC1 ZINC000226398417 388718698 /nfs/dbraw/zinc/71/86/98/388718698.db2.gz PVPCPXNTSMCPCM-QMMMGPOBSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](CNC(=O)C(C)(C)N)[N@@H+](C)C1CC1 ZINC000226398417 388718700 /nfs/dbraw/zinc/71/87/00/388718700.db2.gz PVPCPXNTSMCPCM-QMMMGPOBSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000229963155 388805967 /nfs/dbraw/zinc/80/59/67/388805967.db2.gz PMLPREZNXTZJHF-VWYCJHECSA-N 1 3 200.326 0.864 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227803344 388758340 /nfs/dbraw/zinc/75/83/40/388758340.db2.gz DMBJQQZIYCDRBZ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000155759662 388774388 /nfs/dbraw/zinc/77/43/88/388774388.db2.gz LJBQNZXSPGCRRL-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO COC[C@H](O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000230136974 388816088 /nfs/dbraw/zinc/81/60/88/388816088.db2.gz BIOFYVRCFHVXEV-OUAUKWLOSA-N 1 3 216.325 0.243 20 0 BCADHO COC[C@H](O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000230136974 388816094 /nfs/dbraw/zinc/81/60/94/388816094.db2.gz BIOFYVRCFHVXEV-OUAUKWLOSA-N 1 3 216.325 0.243 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000564955387 388901778 /nfs/dbraw/zinc/90/17/78/388901778.db2.gz YUQUSJFBTRAZQR-KXUCPTDWSA-N 1 3 213.325 0.357 20 0 BCADHO CN(C)Cc1ccc(C(=O)N(C)CC[NH3+])cc1 ZINC000564954816 388901767 /nfs/dbraw/zinc/90/17/67/388901767.db2.gz MPQMLOLACJJELE-UHFFFAOYSA-N 1 3 235.331 0.779 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCCC[NH2+]CC ZINC000565033289 388909951 /nfs/dbraw/zinc/90/99/51/388909951.db2.gz ACDZTPCLXRIDEG-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@H]1CCN(CC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000565210322 388926143 /nfs/dbraw/zinc/92/61/43/388926143.db2.gz UDOJVZXABBQYEU-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO NCCC[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000565234442 388929733 /nfs/dbraw/zinc/92/97/33/388929733.db2.gz UCTURGFBKZLFGA-VXGBXAGGSA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000565419880 388943567 /nfs/dbraw/zinc/94/35/67/388943567.db2.gz JGRKPBOSVKTALH-MGCOHNPYSA-N 1 3 227.352 0.605 20 0 BCADHO C[C@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000566117058 388988973 /nfs/dbraw/zinc/98/89/73/388988973.db2.gz RYRCEPVKACOUDX-UWVGGRQHSA-N 1 3 202.342 0.933 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000494686993 533536657 /nfs/dbraw/zinc/53/66/57/533536657.db2.gz PWEPCHQQXJVDJW-VHSXEESVSA-N 1 3 229.368 0.994 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366844080 133709414 /nfs/dbraw/zinc/70/94/14/133709414.db2.gz MRWCWPGFTVPIMW-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCCN(C)CC1 ZINC000335982040 134037968 /nfs/dbraw/zinc/03/79/68/134037968.db2.gz BWBOESHWXONPJR-NSHDSACASA-N 1 3 242.367 0.284 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@H](C)N(C)C1CC1 ZINC000218868757 134265320 /nfs/dbraw/zinc/26/53/20/134265320.db2.gz KFNLIKCSVREANL-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000178406569 134310007 /nfs/dbraw/zinc/31/00/07/134310007.db2.gz JXFWVTFRBQWMPB-VIFPVBQESA-N 1 3 211.309 0.126 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCCC[C@H]1C ZINC000178702699 134313401 /nfs/dbraw/zinc/31/34/01/134313401.db2.gz GPWUHCYHPQOWSA-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCN(CC)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000178940070 134313489 /nfs/dbraw/zinc/31/34/89/134313489.db2.gz WAXTZUXTYVWCHI-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979343 134314317 /nfs/dbraw/zinc/31/43/17/134314317.db2.gz UFJRPAWHTQKHSN-AGIUHOORSA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COC)[C@H](C)C1 ZINC000178979343 134314318 /nfs/dbraw/zinc/31/43/18/134314318.db2.gz UFJRPAWHTQKHSN-AGIUHOORSA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N ZINC000178865755 134315655 /nfs/dbraw/zinc/31/56/55/134315655.db2.gz MAZZLTPCOXFHBY-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N ZINC000178865755 134315656 /nfs/dbraw/zinc/31/56/56/134315656.db2.gz MAZZLTPCOXFHBY-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000178867311 134316248 /nfs/dbraw/zinc/31/62/48/134316248.db2.gz IRJGTILJGFOWAD-UMNHJUIQSA-N 1 3 237.347 0.480 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCOCCO)[C@@H](C)C1 ZINC000221794863 134326296 /nfs/dbraw/zinc/32/62/96/134326296.db2.gz ZWTYIDXJACTUMZ-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CC[N@H+]1CC[C@H](NCCOCCO)[C@@H](C)C1 ZINC000221794863 134326297 /nfs/dbraw/zinc/32/62/97/134326297.db2.gz ZWTYIDXJACTUMZ-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO Cn1cncc1CNCC1CC[NH+](C)CC1 ZINC000082432873 134416785 /nfs/dbraw/zinc/41/67/85/134416785.db2.gz DCFQLUZFIJELQQ-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3)C[C@H]12 ZINC000248568246 135005077 /nfs/dbraw/zinc/00/50/77/135005077.db2.gz CEGAKGSHZHSQCN-WRWGMCAJSA-N 1 3 237.347 0.324 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000248589833 135016133 /nfs/dbraw/zinc/01/61/33/135016133.db2.gz YZAFMBYKOWIVKU-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000251094515 135064154 /nfs/dbraw/zinc/06/41/54/135064154.db2.gz KZNHLONFFBSLGS-VWYCJHECSA-N 1 3 200.326 0.986 20 0 BCADHO C[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1CN ZINC000251187825 135064763 /nfs/dbraw/zinc/06/47/63/135064763.db2.gz ILSJFEYHCLVQJJ-VWYCJHECSA-N 1 3 200.326 0.864 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000237236561 135070412 /nfs/dbraw/zinc/07/04/12/135070412.db2.gz NOMPJKNRIJHKRB-ZDUSSCGKSA-N 1 3 249.358 0.933 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2COCCO2)CC[N@@H+]1C ZINC000252140760 135084283 /nfs/dbraw/zinc/08/42/83/135084283.db2.gz NEOKTHDAJRDEDM-UTUOFQBUSA-N 1 3 228.336 0.474 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2COCCO2)CC[N@H+]1C ZINC000252140760 135084285 /nfs/dbraw/zinc/08/42/85/135084285.db2.gz NEOKTHDAJRDEDM-UTUOFQBUSA-N 1 3 228.336 0.474 20 0 BCADHO COCC1CCN(CCOCC[NH3+])CC1 ZINC000086435812 135084536 /nfs/dbraw/zinc/08/45/36/135084536.db2.gz PKDPAESYWVYASJ-UHFFFAOYSA-N 1 3 216.325 0.320 20 0 BCADHO CCOC[C@H](C)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252713997 135100035 /nfs/dbraw/zinc/10/00/35/135100035.db2.gz QTUFZHMCGZZYGY-AVGNSLFASA-N 1 3 242.363 0.864 20 0 BCADHO CCOC[C@H](C)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252713997 135100036 /nfs/dbraw/zinc/10/00/36/135100036.db2.gz QTUFZHMCGZZYGY-AVGNSLFASA-N 1 3 242.363 0.864 20 0 BCADHO c1cn(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nn1 ZINC000252856005 135114205 /nfs/dbraw/zinc/11/42/05/135114205.db2.gz KNMWYYHRIHHEKP-OLZOCXBDSA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1 ZINC000252856005 135114207 /nfs/dbraw/zinc/11/42/07/135114207.db2.gz KNMWYYHRIHHEKP-OLZOCXBDSA-N 1 3 249.362 0.885 20 0 BCADHO c1cn(CCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)nn1 ZINC000252856005 135114208 /nfs/dbraw/zinc/11/42/08/135114208.db2.gz KNMWYYHRIHHEKP-OLZOCXBDSA-N 1 3 249.362 0.885 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC[NH2+]CC1)N(C)C ZINC000262482805 135119166 /nfs/dbraw/zinc/11/91/66/135119166.db2.gz VBOPRJOTXSNNDY-LLVKDONJSA-N 1 3 227.352 0.395 20 0 BCADHO CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000253019888 135119195 /nfs/dbraw/zinc/11/91/95/135119195.db2.gz JLSNINDNEPTXLR-GARJFASQSA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@H](O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000253009713 135119237 /nfs/dbraw/zinc/11/92/37/135119237.db2.gz BABLUMCRSHSHSG-DCAQKATOSA-N 1 3 200.326 0.864 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@H]2CCOC2)C[C@H]1CN ZINC000253192685 135123838 /nfs/dbraw/zinc/12/38/38/135123838.db2.gz NNJDPDCFIGBVHE-IJLUTSLNSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C[C@H]1CN ZINC000253192685 135123839 /nfs/dbraw/zinc/12/38/39/135123839.db2.gz NNJDPDCFIGBVHE-IJLUTSLNSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253202337 135124588 /nfs/dbraw/zinc/12/45/88/135124588.db2.gz YTBJIQMEKJBCIB-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253202337 135124590 /nfs/dbraw/zinc/12/45/90/135124590.db2.gz YTBJIQMEKJBCIB-MXWKQRLJSA-N 1 3 225.336 0.467 20 0 BCADHO COCCC[N@@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253250126 135125685 /nfs/dbraw/zinc/12/56/85/135125685.db2.gz VRCWCNJNNQSDDA-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO COCCC[N@H+]1CC[C@H](C)[C@H](CN)C1 ZINC000253250126 135125686 /nfs/dbraw/zinc/12/56/86/135125686.db2.gz VRCWCNJNNQSDDA-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO COCCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253250126 135125687 /nfs/dbraw/zinc/12/56/87/135125687.db2.gz VRCWCNJNNQSDDA-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO C[NH2+]CCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000258791999 135134159 /nfs/dbraw/zinc/13/41/59/135134159.db2.gz MMMYMVXJXDZPPK-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](N)C(C)(C)C ZINC000087471639 135141355 /nfs/dbraw/zinc/14/13/55/135141355.db2.gz LHRXAFSFIDNESR-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1 ZINC000087471655 135141776 /nfs/dbraw/zinc/14/17/76/135141776.db2.gz QOXXONKORJRHDJ-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[NH2+]C[C@H]1CCN(CC[C@H]2CCOC2)C1 ZINC000261530260 135157707 /nfs/dbraw/zinc/15/77/07/135157707.db2.gz CCXWOSVGSYBAKA-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261530260 135157710 /nfs/dbraw/zinc/15/77/10/135157710.db2.gz CCXWOSVGSYBAKA-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261530260 135157711 /nfs/dbraw/zinc/15/77/11/135157711.db2.gz CCXWOSVGSYBAKA-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO c1cn(CCC[NH2+]C[C@H]2CCCNC2)cn1 ZINC000087646297 135160980 /nfs/dbraw/zinc/16/09/80/135160980.db2.gz DINCDVIUCVFZIT-LBPRGKRZSA-N 1 3 222.336 0.862 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)NCC[NH3+] ZINC000261531878 135161598 /nfs/dbraw/zinc/16/15/98/135161598.db2.gz IEWIXRGKMKUZTF-JTQLQIEISA-N 1 3 213.325 0.359 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261543123 135183960 /nfs/dbraw/zinc/18/39/60/135183960.db2.gz HMHCDBSVKUVFCZ-MWLCHTKSSA-N 1 3 213.325 0.357 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000261543124 135184199 /nfs/dbraw/zinc/18/41/99/135184199.db2.gz HMHCDBSVKUVFCZ-ONGXEEELSA-N 1 3 213.325 0.357 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000084216426 135192868 /nfs/dbraw/zinc/19/28/68/135192868.db2.gz ZJYCTXMWQYJMGY-VXGBXAGGSA-N 1 3 222.336 0.990 20 0 BCADHO C[C@H](O)[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261560376 135201110 /nfs/dbraw/zinc/20/11/10/135201110.db2.gz ZULZKWFFQGOQOA-TUAOUCFPSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@@]1(CN2CCC[C@@H](CO)C2)CC[NH2+]C1 ZINC000261560115 135201148 /nfs/dbraw/zinc/20/11/48/135201148.db2.gz ZQHCJLDOZMRAKR-VXGBXAGGSA-N 1 3 212.337 0.690 20 0 BCADHO O[C@H](CN[C@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972394 135209790 /nfs/dbraw/zinc/20/97/90/135209790.db2.gz CMUBTVBVNLEORX-NWDGAFQWSA-N 1 3 244.404 0.928 20 0 BCADHO CCOC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000261569693 135211418 /nfs/dbraw/zinc/21/14/18/135211418.db2.gz GKZBJYKBGJJIMX-SNVBAGLBSA-N 1 3 228.336 0.917 20 0 BCADHO CCOC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000261569693 135211419 /nfs/dbraw/zinc/21/14/19/135211419.db2.gz GKZBJYKBGJJIMX-SNVBAGLBSA-N 1 3 228.336 0.917 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000261574123 135216019 /nfs/dbraw/zinc/21/60/19/135216019.db2.gz JCEYGDHVYGEZGS-ONGXEEELSA-N 1 3 213.325 0.324 20 0 BCADHO [NH3+]CCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000261575488 135216916 /nfs/dbraw/zinc/21/69/16/135216916.db2.gz JUQDZWCOIIMLGX-DGCLKSJQSA-N 1 3 223.364 0.894 20 0 BCADHO C[C@@H]([NH3+])C1CCN(CCn2cncn2)CC1 ZINC000261583807 135225167 /nfs/dbraw/zinc/22/51/67/135225167.db2.gz PFPXUSZAGHOZSN-SNVBAGLBSA-N 1 3 223.324 0.337 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261599693 135237338 /nfs/dbraw/zinc/23/73/38/135237338.db2.gz ZXJLYMBMBJMMDR-UWVGGRQHSA-N 1 3 213.325 0.213 20 0 BCADHO CN(C[C@H]1CCOC1)C[C@]1(C)CC[NH2+]C1 ZINC000261547167 135240108 /nfs/dbraw/zinc/24/01/08/135240108.db2.gz LYOZCIQPKAIBEK-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000261641475 135242870 /nfs/dbraw/zinc/24/28/70/135242870.db2.gz GJXNVXFLCHEJFT-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000261674099 135244917 /nfs/dbraw/zinc/24/49/17/135244917.db2.gz JHTUYAPGDSKJPT-ADEWGFFLSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H](N)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000261707924 135246565 /nfs/dbraw/zinc/24/65/65/135246565.db2.gz DFEVBKWXABMSIF-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084420097 135249295 /nfs/dbraw/zinc/24/92/95/135249295.db2.gz RAWDPQROEMYBJY-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084420075 135249550 /nfs/dbraw/zinc/24/95/50/135249550.db2.gz GCLNTOFOMUFBRA-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[NH2+]CCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084420071 135249599 /nfs/dbraw/zinc/24/95/99/135249599.db2.gz BINFBZIWNIKYSW-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO C[NH2+]CCCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000084420142 135251509 /nfs/dbraw/zinc/25/15/09/135251509.db2.gz QHQZWJPWTKVESS-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO C[C@]1(CN2CC[C@]3(CNC(=O)C3)C2)CC[NH2+]C1 ZINC000261880743 135260021 /nfs/dbraw/zinc/26/00/21/135260021.db2.gz QVNVSAPOYJOOKP-STQMWFEESA-N 1 3 237.347 0.198 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261893710 135260786 /nfs/dbraw/zinc/26/07/86/135260786.db2.gz CLTQBLJWDYORFS-QWHCGFSZSA-N 1 3 247.342 0.410 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261900089 135260859 /nfs/dbraw/zinc/26/08/59/135260859.db2.gz YVSGLVHKLAHNFD-ATZCPNFKSA-N 1 3 225.336 0.323 20 0 BCADHO NC1(C(=O)NC[C@H]([NH3+])C2CC2)CCCCC1 ZINC000261927844 135263643 /nfs/dbraw/zinc/26/36/43/135263643.db2.gz KMERDTBPHNMMJP-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261943116 135264756 /nfs/dbraw/zinc/26/47/56/135264756.db2.gz NVNCJDMYTLVMIH-UMNHJUIQSA-N 1 3 239.363 0.713 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCOC[C@]12CCOC2 ZINC000261940652 135264949 /nfs/dbraw/zinc/26/49/49/135264949.db2.gz MPDIDOIFYJTPAT-CYBMUJFWSA-N 1 3 240.347 0.477 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C ZINC000261958792 135265836 /nfs/dbraw/zinc/26/58/36/135265836.db2.gz MFZBVDHPIVWYML-UTUOFQBUSA-N 1 3 241.379 0.768 20 0 BCADHO N[C@@H](CC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996373 135270611 /nfs/dbraw/zinc/27/06/11/135270611.db2.gz ZFMAJPBWQAJXGK-STQMWFEESA-N 1 3 247.342 0.930 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000262018221 135272949 /nfs/dbraw/zinc/27/29/49/135272949.db2.gz ACKNLJNAKHNLHF-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CS(=O)(=O)[C@@H]1CCN(CC2CC[NH2+]CC2)C1 ZINC000262048630 135275655 /nfs/dbraw/zinc/27/56/55/135275655.db2.gz ZHSSZZGPJFCJJG-LLVKDONJSA-N 1 3 246.376 0.105 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000262049710 135276175 /nfs/dbraw/zinc/27/61/75/135276175.db2.gz QDJDQJVXEGKKPI-PWSUYJOCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000262049245 135276328 /nfs/dbraw/zinc/27/63/28/135276328.db2.gz UVRWCPIYCBODNB-MNOVXSKESA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@]1(CN2CCCC[C@@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064589 135276706 /nfs/dbraw/zinc/27/67/06/135276706.db2.gz RMLDTVJZYZRGLP-DGCLKSJQSA-N 1 3 239.363 0.716 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH2+]C1 ZINC000262156159 135282853 /nfs/dbraw/zinc/28/28/53/135282853.db2.gz ANOLYWXRYDRYLV-NEPJUHHUSA-N 1 3 237.347 0.291 20 0 BCADHO COc1ccccc1[C@H]1CNCCN1C[C@H](C)[NH3+] ZINC000262177757 135283676 /nfs/dbraw/zinc/28/36/76/135283676.db2.gz IKHKMLUSXKLPLC-WCQYABFASA-N 1 3 249.358 0.989 20 0 BCADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CC[NH2+]1 ZINC000262309223 135292075 /nfs/dbraw/zinc/29/20/75/135292075.db2.gz CRWFFOYTXOIMHN-CHWSQXEVSA-N 1 3 245.326 0.352 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCC[C@@H](C)C1 ZINC000262310247 135292355 /nfs/dbraw/zinc/29/23/55/135292355.db2.gz CUUIPRXGVNIRAA-MNOVXSKESA-N 1 3 227.352 0.429 20 0 BCADHO NC1(C(=O)N[C@@H](C[NH3+])C2CC2)CCCCC1 ZINC000262409918 135295418 /nfs/dbraw/zinc/29/54/18/135295418.db2.gz DAZKBFGDWYTFBM-JTQLQIEISA-N 1 3 225.336 0.502 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262425482 135296384 /nfs/dbraw/zinc/29/63/84/135296384.db2.gz SFGJHJPUQLUNEX-ZWNOBZJWSA-N 1 3 247.342 0.584 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)NCCN(C)C ZINC000342643201 135300675 /nfs/dbraw/zinc/30/06/75/135300675.db2.gz AGFJNJOVLUSCQO-UHFFFAOYSA-N 1 3 244.383 0.579 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)NCCN(C)C ZINC000342643201 135300676 /nfs/dbraw/zinc/30/06/76/135300676.db2.gz AGFJNJOVLUSCQO-UHFFFAOYSA-N 1 3 244.383 0.579 20 0 BCADHO NC(=[NH2+])NCC1(N2CCCC2)CCOCC1 ZINC000262473955 135300943 /nfs/dbraw/zinc/30/09/43/135300943.db2.gz YQGMJZPKMSGHMJ-UHFFFAOYSA-N 1 3 226.324 0.114 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000262527349 135303856 /nfs/dbraw/zinc/30/38/56/135303856.db2.gz BDYSXLYGIBSWDA-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262586419 135306864 /nfs/dbraw/zinc/30/68/64/135306864.db2.gz SOVFRBKNRGWGGD-CMPLNLGQSA-N 1 3 239.363 0.524 20 0 BCADHO NC1(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000262601525 135307693 /nfs/dbraw/zinc/30/76/93/135307693.db2.gz PIDWRKZDRGYTOY-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626854 135309218 /nfs/dbraw/zinc/30/92/18/135309218.db2.gz LBXFOKWXYSHNGL-WYUUTHIRSA-N 1 3 239.363 0.713 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342746862 135311022 /nfs/dbraw/zinc/31/10/22/135311022.db2.gz VTJZTWMGEBPNBR-ZYHUDNBSSA-N 1 3 227.352 0.620 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342722489 135314850 /nfs/dbraw/zinc/31/48/50/135314850.db2.gz TWASYOTXBRKRPT-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342722491 135315069 /nfs/dbraw/zinc/31/50/69/135315069.db2.gz TWASYOTXBRKRPT-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@]1(C)CCCCN1 ZINC000262919736 135324224 /nfs/dbraw/zinc/32/42/24/135324224.db2.gz ZGPLPSVBFHBPSL-WZRBSPASSA-N 1 3 239.363 0.633 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262949924 135324626 /nfs/dbraw/zinc/32/46/26/135324626.db2.gz VIXVUCMTGCXCNH-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262949925 135324653 /nfs/dbraw/zinc/32/46/53/135324653.db2.gz VIXVUCMTGCXCNH-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCCNCC1 ZINC000263006475 135326541 /nfs/dbraw/zinc/32/65/41/135326541.db2.gz PHDPHFLJZRELIR-YPMHNXCESA-N 1 3 239.363 0.716 20 0 BCADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCCNCC1 ZINC000263006459 135326652 /nfs/dbraw/zinc/32/66/52/135326652.db2.gz PHDPHFLJZRELIR-AAEUAGOBSA-N 1 3 239.363 0.716 20 0 BCADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000334375020 135376805 /nfs/dbraw/zinc/37/68/05/135376805.db2.gz DHNHQCWYVKZNFN-NEPJUHHUSA-N 1 3 239.363 0.716 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335600778 135417708 /nfs/dbraw/zinc/41/77/08/135417708.db2.gz QRCXHUALZUULTE-JTQLQIEISA-N 1 3 225.336 0.149 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000230386674 135533482 /nfs/dbraw/zinc/53/34/82/135533482.db2.gz ZQIQHPYAWWQGBK-QWRGUYRKSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H]1CN(C(=O)NCC2([NH3+])CCC2)[C@@H](C)CN1 ZINC000334932381 135844650 /nfs/dbraw/zinc/84/46/50/135844650.db2.gz QFXZESJCTOXSSF-UWVGGRQHSA-N 1 3 240.351 0.260 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH3+] ZINC000347654723 136001673 /nfs/dbraw/zinc/00/16/73/136001673.db2.gz MHGYICLONDAWNK-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(N)CCCCC1 ZINC000335298576 136007607 /nfs/dbraw/zinc/00/76/07/136007607.db2.gz BXMQSQDNNORHHI-UWVGGRQHSA-N 1 3 225.336 0.596 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1cccc(CN(C)C)c1 ZINC000347707767 136008490 /nfs/dbraw/zinc/00/84/90/136008490.db2.gz YMXTYAKKCXOTET-SNVBAGLBSA-N 1 3 235.331 0.825 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(N)CCCC1 ZINC000335327680 136052628 /nfs/dbraw/zinc/05/26/28/136052628.db2.gz JRPDIKWXGBPFNA-NXEZZACHSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCCNCC1 ZINC000335368134 136082096 /nfs/dbraw/zinc/08/20/96/136082096.db2.gz SQVOYGUBFXWOBQ-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCCNCC1 ZINC000335368122 136082212 /nfs/dbraw/zinc/08/22/12/136082212.db2.gz SQVOYGUBFXWOBQ-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO N[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)C1CCC1 ZINC000335378021 136086391 /nfs/dbraw/zinc/08/63/91/136086391.db2.gz AHBSKWXDBUOPFH-ZJUUUORDSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccc3c(c2)CNC3)C[C@@H]1[NH3+] ZINC000335383200 136088185 /nfs/dbraw/zinc/08/81/85/136088185.db2.gz ADVRLBBPOVXOGZ-RNCFNFMXSA-N 1 3 245.326 0.709 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335395470 136091988 /nfs/dbraw/zinc/09/19/88/136091988.db2.gz OQTLCDIQVIAAMT-GXFFZTMASA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC2(CC[NH2+]C2)CC1 ZINC000335395905 136092451 /nfs/dbraw/zinc/09/24/51/136092451.db2.gz MWCRHPJCGNDXLO-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO N[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396196 136092761 /nfs/dbraw/zinc/09/27/61/136092761.db2.gz RVJBQBKJYOQFBF-YPMHNXCESA-N 1 3 237.347 0.326 20 0 BCADHO CNC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335397743 136093095 /nfs/dbraw/zinc/09/30/95/136093095.db2.gz WURHIUAZDDAFPG-GHMZBOCLSA-N 1 3 225.336 0.054 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)[C@H](C)C1 ZINC000178814179 397803249 /nfs/dbraw/zinc/80/32/49/397803249.db2.gz PFISQAIHJLOXSU-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)[C@H](C)C1 ZINC000178814179 397803250 /nfs/dbraw/zinc/80/32/50/397803250.db2.gz PFISQAIHJLOXSU-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000446361219 397947745 /nfs/dbraw/zinc/94/77/45/397947745.db2.gz YZKCFKPIIMPVKR-UMNHJUIQSA-N 1 3 237.347 0.195 20 0 BCADHO CC[C@H](CN[C@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091767 397948496 /nfs/dbraw/zinc/94/84/96/397948496.db2.gz FOJKIUOYFCHOOL-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](CN[C@@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091765 397948643 /nfs/dbraw/zinc/94/86/43/397948643.db2.gz FOJKIUOYFCHOOL-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](CN[C@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091762 397948679 /nfs/dbraw/zinc/94/86/79/397948679.db2.gz FOJKIUOYFCHOOL-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCN(CC)CC(=O)N(C)CCC[NH3+] ZINC000037049759 397959290 /nfs/dbraw/zinc/95/92/90/397959290.db2.gz PSGCRDGZOGIIJX-UHFFFAOYSA-N 1 3 201.314 0.135 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[N@H+](C)CC ZINC000054133350 397903288 /nfs/dbraw/zinc/90/32/88/397903288.db2.gz AJBYAFPWFHMKST-LLVKDONJSA-N 1 3 215.341 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[N@@H+](C)CC ZINC000054133350 397903290 /nfs/dbraw/zinc/90/32/90/397903290.db2.gz AJBYAFPWFHMKST-LLVKDONJSA-N 1 3 215.341 0.572 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000054133002 397903753 /nfs/dbraw/zinc/90/37/53/397903753.db2.gz GWVGOIAEBJJJLM-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000054133002 397903756 /nfs/dbraw/zinc/90/37/56/397903756.db2.gz GWVGOIAEBJJJLM-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382948120 397991228 /nfs/dbraw/zinc/99/12/28/397991228.db2.gz KVJLGYPCAOBRGN-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000164996007 398001766 /nfs/dbraw/zinc/00/17/66/398001766.db2.gz PYPCRECCRQFSHS-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000164996007 398001768 /nfs/dbraw/zinc/00/17/68/398001768.db2.gz PYPCRECCRQFSHS-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000372909971 398007536 /nfs/dbraw/zinc/00/75/36/398007536.db2.gz HWLGOJFLKYKOFL-SDDRHHMPSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953140 398009637 /nfs/dbraw/zinc/00/96/37/398009637.db2.gz DJZJXIBPBUQKTM-KOLCDFICSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000383194891 398010395 /nfs/dbraw/zinc/01/03/95/398010395.db2.gz VFRGEBJZMQYDSL-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000383194891 398010398 /nfs/dbraw/zinc/01/03/98/398010398.db2.gz VFRGEBJZMQYDSL-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CN[C@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000582676821 398041506 /nfs/dbraw/zinc/04/15/06/398041506.db2.gz KQISDXXEQWBGHC-ZJUUUORDSA-N 1 3 213.325 0.100 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000038101753 397974166 /nfs/dbraw/zinc/97/41/66/397974166.db2.gz FUFNLLDTHLZKRV-LBPRGKRZSA-N 1 3 239.363 0.811 20 0 BCADHO CN(C)C/C=C\C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000491852838 398075411 /nfs/dbraw/zinc/07/54/11/398075411.db2.gz UJWYFCIZTABJLK-GZTOBOFZSA-N 1 3 225.336 0.267 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000491852838 398075412 /nfs/dbraw/zinc/07/54/12/398075412.db2.gz UJWYFCIZTABJLK-GZTOBOFZSA-N 1 3 225.336 0.267 20 0 BCADHO C[NH+]1CCC(O)(CNCc2ccccn2)CC1 ZINC000344554622 398081696 /nfs/dbraw/zinc/08/16/96/398081696.db2.gz QLONSXQIMZLLCV-UHFFFAOYSA-N 1 3 235.331 0.628 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000309295374 398119077 /nfs/dbraw/zinc/11/90/77/398119077.db2.gz WYKHOPFGQNAUQQ-MWLCHTKSSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC(C)C ZINC000638567769 398131637 /nfs/dbraw/zinc/13/16/37/398131637.db2.gz RJLXMDKTTJKFMW-GARJFASQSA-N 1 3 227.352 0.617 20 0 BCADHO CCN(CCNC(=O)CCCC[NH3+])C1CC1 ZINC000227833466 487560005 /nfs/dbraw/zinc/56/00/05/487560005.db2.gz QHMDCZRREJSHIJ-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCN1CCOCC1 ZINC000405301257 487569854 /nfs/dbraw/zinc/56/98/54/487569854.db2.gz IPVXSHWBBLAMED-MNOVXSKESA-N 1 3 227.352 0.034 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCN1CCOCC1 ZINC000405301257 487569859 /nfs/dbraw/zinc/56/98/59/487569859.db2.gz IPVXSHWBBLAMED-MNOVXSKESA-N 1 3 227.352 0.034 20 0 BCADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCNCC2)C1 ZINC000082241656 487580804 /nfs/dbraw/zinc/58/08/04/487580804.db2.gz UMWGNOMXJPGYNW-LLVKDONJSA-N 1 3 225.336 0.150 20 0 BCADHO C[N@H+]1CC[C@H](CC(=O)N2CCCNCC2)C1 ZINC000082241656 487580810 /nfs/dbraw/zinc/58/08/10/487580810.db2.gz UMWGNOMXJPGYNW-LLVKDONJSA-N 1 3 225.336 0.150 20 0 BCADHO C[C@@H]([NH3+])C1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000662245481 409537761 /nfs/dbraw/zinc/53/77/61/409537761.db2.gz KAWPNKWWBPEJRK-PWSUYJOCSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1CC[C@H](N2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000662246060 409542079 /nfs/dbraw/zinc/54/20/79/409542079.db2.gz NMOZIZQXYZCDHQ-PWSUYJOCSA-N 1 3 239.363 0.666 20 0 BCADHO OCCC[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662255105 409551900 /nfs/dbraw/zinc/55/19/00/409551900.db2.gz OOWIVJBSPHJTSP-LBPRGKRZSA-N 1 3 240.347 0.354 20 0 BCADHO OCCC[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662255105 409551906 /nfs/dbraw/zinc/55/19/06/409551906.db2.gz OOWIVJBSPHJTSP-LBPRGKRZSA-N 1 3 240.347 0.354 20 0 BCADHO OCCC[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662255104 409553029 /nfs/dbraw/zinc/55/30/29/409553029.db2.gz OOWIVJBSPHJTSP-GFCCVEGCSA-N 1 3 240.347 0.354 20 0 BCADHO OCCC[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662255104 409553034 /nfs/dbraw/zinc/55/30/34/409553034.db2.gz OOWIVJBSPHJTSP-GFCCVEGCSA-N 1 3 240.347 0.354 20 0 BCADHO CCCCCNC1(CO)CC[NH2+]CC1 ZINC000662286387 409618547 /nfs/dbraw/zinc/61/85/47/409618547.db2.gz TXTQOAXXXQHGTE-UHFFFAOYSA-N 1 3 200.326 0.881 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCNc1ccncc1 ZINC000662395138 409696956 /nfs/dbraw/zinc/69/69/56/409696956.db2.gz QODXCQZVJCHNGF-NSHDSACASA-N 1 3 236.319 0.030 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662422364 409706345 /nfs/dbraw/zinc/70/63/45/409706345.db2.gz IFYDDWMDFYIYNY-SNVBAGLBSA-N 1 3 239.363 0.748 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000662440339 409723482 /nfs/dbraw/zinc/72/34/82/409723482.db2.gz XQBXSHHDCNYMFW-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CN(CCNC(=O)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000653112894 409821521 /nfs/dbraw/zinc/82/15/21/409821521.db2.gz MFJVKUYQFMPUKA-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C)CN1 ZINC000653128575 409840869 /nfs/dbraw/zinc/84/08/69/409840869.db2.gz LWJXDLNDDQGEQU-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662623665 409795811 /nfs/dbraw/zinc/79/58/11/409795811.db2.gz ZOGIWTWRAARMEV-WDEREUQCSA-N 1 3 239.363 0.727 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2CCC[NH2+]CC2)CCN1 ZINC000653147955 409871589 /nfs/dbraw/zinc/87/15/89/409871589.db2.gz IAMPOMMGELRSBF-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662731218 409874992 /nfs/dbraw/zinc/87/49/92/409874992.db2.gz ZRESGGCKQXPLAM-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662775470 409894828 /nfs/dbraw/zinc/89/48/28/409894828.db2.gz WGOYYCLRHWRIHP-MRVPVSSYSA-N 1 3 211.309 0.111 20 0 BCADHO C[C@H]([NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662774718 409895085 /nfs/dbraw/zinc/89/50/85/409895085.db2.gz QZJJONHVCWCBAY-VIFPVBQESA-N 1 3 233.315 0.409 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000660925769 409971698 /nfs/dbraw/zinc/97/16/98/409971698.db2.gz FHVCEAUNOLJWIB-YPMHNXCESA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C[C@@H](C)O)C1CC1 ZINC000660925769 409971703 /nfs/dbraw/zinc/97/17/03/409971703.db2.gz FHVCEAUNOLJWIB-YPMHNXCESA-N 1 3 244.379 0.533 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000662954186 409987932 /nfs/dbraw/zinc/98/79/32/409987932.db2.gz SRZUDLLAYRAELU-JQWIXIFHSA-N 1 3 235.331 0.281 20 0 BCADHO CC(C)([NH3+])C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662839718 409948186 /nfs/dbraw/zinc/94/81/86/409948186.db2.gz UCGWOIOALRTGJO-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662839434 409948825 /nfs/dbraw/zinc/94/88/25/409948825.db2.gz QPRWLDURWSQYMO-QJPTWQEYSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662839434 409948829 /nfs/dbraw/zinc/94/88/29/409948829.db2.gz QPRWLDURWSQYMO-QJPTWQEYSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CNCc2ccccc21 ZINC000662968450 409998278 /nfs/dbraw/zinc/99/82/78/409998278.db2.gz HWQQVSQMNLFYIU-MFKMUULPSA-N 1 3 247.342 0.598 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662968872 409998449 /nfs/dbraw/zinc/99/84/49/409998449.db2.gz KUMRKSPFPPRDJV-ZWNOBZJWSA-N 1 3 247.342 0.945 20 0 BCADHO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CNC1CC1)C2 ZINC000653194409 410159933 /nfs/dbraw/zinc/15/99/33/410159933.db2.gz GYUNWXMNDJDOJU-GWCFXTLKSA-N 1 3 237.347 0.326 20 0 BCADHO CNCC(=O)NCc1ccccc1C[NH2+]C ZINC000653211106 410164954 /nfs/dbraw/zinc/16/49/54/410164954.db2.gz OYDMRNXJIWURHD-UHFFFAOYSA-N 1 3 221.304 0.242 20 0 BCADHO CC(C)[C@@H](C(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000653221243 410169072 /nfs/dbraw/zinc/16/90/72/410169072.db2.gz OLWQQUAZONZQHF-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223001 410171615 /nfs/dbraw/zinc/17/16/15/410171615.db2.gz YZQHTBGCRRKYLP-MNOVXSKESA-N 1 3 239.363 0.620 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000308974826 410191894 /nfs/dbraw/zinc/19/18/94/410191894.db2.gz GHLLRDLYWAUOMW-IUCAKERBSA-N 1 3 201.314 0.357 20 0 BCADHO CC[C@H]([NH3+])CNCc1nc2c(s1)CNCC2 ZINC000663498745 410275999 /nfs/dbraw/zinc/27/59/99/410275999.db2.gz TVQCHPWNWAYMNM-QMMMGPOBSA-N 1 3 240.376 0.616 20 0 BCADHO CN[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000655452059 410291184 /nfs/dbraw/zinc/29/11/84/410291184.db2.gz APHVIUIRAYRUBO-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO C[C@@H](CC(N)=O)NCc1ccc(C[NH3+])cc1F ZINC000650751813 410395297 /nfs/dbraw/zinc/39/52/97/410395297.db2.gz BVSYNLNGOYQWCF-QMMMGPOBSA-N 1 3 239.294 0.638 20 0 BCADHO CN(CCN1CCCCC1)C(=O)[C@H]1CC[NH2+]1 ZINC000653274640 410554570 /nfs/dbraw/zinc/55/45/70/410554570.db2.gz LHZMNMLMHUAJKC-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO CN(CCN1CCCCC1)C(=O)C1([NH3+])CCC1 ZINC000653275069 410557695 /nfs/dbraw/zinc/55/76/95/410557695.db2.gz VVEIIJRRGWDOQV-UHFFFAOYSA-N 1 3 239.363 0.812 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356394256 169764752 /nfs/dbraw/zinc/76/47/52/169764752.db2.gz SLHXBBZLYOCEQQ-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1C[C@H](F)CN1 ZINC000655463864 410650985 /nfs/dbraw/zinc/65/09/85/410650985.db2.gz ZBDIXVQPOOZMNV-VWYCJHECSA-N 1 3 243.326 0.192 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489244 410795682 /nfs/dbraw/zinc/79/56/82/410795682.db2.gz NEUOHHIOCOFFGT-YFKTTZPYSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655489239 410795705 /nfs/dbraw/zinc/79/57/05/410795705.db2.gz NEUOHHIOCOFFGT-WYUUTHIRSA-N 1 3 241.379 0.816 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000655489446 410799042 /nfs/dbraw/zinc/79/90/42/410799042.db2.gz SAUFRDNMWXEEDZ-WCQGTBRESA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CCCN(C)C1 ZINC000040673739 410886079 /nfs/dbraw/zinc/88/60/79/410886079.db2.gz BUGMXZPNYNZRFL-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCCN(C)C1 ZINC000040673756 410886196 /nfs/dbraw/zinc/88/61/96/410886196.db2.gz SGDKZMXRRMPGRH-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396438955 410882319 /nfs/dbraw/zinc/88/23/19/410882319.db2.gz QQNFIJSVDXMRQC-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H](NC(=O)C1(N)CCC1)C1CC[NH+](C)CC1 ZINC000396432605 410883471 /nfs/dbraw/zinc/88/34/71/410883471.db2.gz HYIKOSUQRAGKMF-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)NCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367462096 167106183 /nfs/dbraw/zinc/10/61/83/167106183.db2.gz CUDOTFZGOCTKHS-DGCLKSJQSA-N 1 3 239.363 0.631 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)CNC ZINC000041680147 169784637 /nfs/dbraw/zinc/78/46/37/169784637.db2.gz DYBXGKAMMXIMPV-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N(C)C ZINC000126146338 167344487 /nfs/dbraw/zinc/34/44/87/167344487.db2.gz SRLFZJIUQILYHT-UWVGGRQHSA-N 1 3 213.325 0.051 20 0 BCADHO CC[C@@H](N)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000309511032 411157877 /nfs/dbraw/zinc/15/78/77/411157877.db2.gz XHIIQTVTJXADEO-SNVBAGLBSA-N 1 3 207.277 0.821 20 0 BCADHO CN(CCN1CCCCC1)C(=O)NCC[NH3+] ZINC000652201851 411170806 /nfs/dbraw/zinc/17/08/06/411170806.db2.gz RBNBEEPZMKOMKH-UHFFFAOYSA-N 1 3 228.340 0.072 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132955931 411177717 /nfs/dbraw/zinc/17/77/17/411177717.db2.gz MMOYFRJKGAWXFH-MXWKQRLJSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132955931 411177720 /nfs/dbraw/zinc/17/77/20/411177720.db2.gz MMOYFRJKGAWXFH-MXWKQRLJSA-N 1 3 227.352 0.569 20 0 BCADHO Cn1nnc2c1CC[C@H](N[C@H]1CCC[NH2+]CC1)C2 ZINC000656193818 411199955 /nfs/dbraw/zinc/19/99/55/411199955.db2.gz UMEJQJMFAXWYFD-QWRGUYRKSA-N 1 3 249.362 0.404 20 0 BCADHO Cn1cc(CC[NH2+][C@@H]2CCNCC2(C)C)cn1 ZINC000310068202 411201693 /nfs/dbraw/zinc/20/16/93/411201693.db2.gz WMBCWQVRSZTFJN-GFCCVEGCSA-N 1 3 236.363 0.940 20 0 BCADHO Cn1cc(CCN[C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000310068202 411201696 /nfs/dbraw/zinc/20/16/96/411201696.db2.gz WMBCWQVRSZTFJN-GFCCVEGCSA-N 1 3 236.363 0.940 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198331 411202681 /nfs/dbraw/zinc/20/26/81/411202681.db2.gz QHNVUZROYRFDSR-NNYUYHANSA-N 1 3 210.321 0.783 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000656198789 411203036 /nfs/dbraw/zinc/20/30/36/411203036.db2.gz SGHRDRUAXKGZDC-AXFHLTTASA-N 1 3 239.363 0.903 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000656198789 411203039 /nfs/dbraw/zinc/20/30/39/411203039.db2.gz SGHRDRUAXKGZDC-AXFHLTTASA-N 1 3 239.363 0.903 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)C1 ZINC000656198332 411203152 /nfs/dbraw/zinc/20/31/52/411203152.db2.gz QHNVUZROYRFDSR-WHOHXGKFSA-N 1 3 210.321 0.783 20 0 BCADHO CC(C)N1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000656197829 411203269 /nfs/dbraw/zinc/20/32/69/411203269.db2.gz MUKUCSGUYDTGTO-QJPTWQEYSA-N 1 3 239.363 0.855 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CC1CCC1 ZINC000652337967 411205009 /nfs/dbraw/zinc/20/50/09/411205009.db2.gz SNTUJGJDGCWXCV-NSHDSACASA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCCC[C@@H](COC)C1 ZINC000652341539 411207059 /nfs/dbraw/zinc/20/70/59/411207059.db2.gz XPJFQJPCRPSFIO-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000652341539 411207060 /nfs/dbraw/zinc/20/70/60/411207060.db2.gz XPJFQJPCRPSFIO-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCCC[C@@H](COC)C1 ZINC000652341539 411207061 /nfs/dbraw/zinc/20/70/61/411207061.db2.gz XPJFQJPCRPSFIO-CHWSQXEVSA-N 1 3 244.379 0.705 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1NCC1(C)C ZINC000393787110 411214947 /nfs/dbraw/zinc/21/49/47/411214947.db2.gz YUYQAFVRYCTGGT-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)N(C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422884538 411233827 /nfs/dbraw/zinc/23/38/27/411233827.db2.gz XFYCVSAMCSYKIH-VXGBXAGGSA-N 1 3 213.369 0.914 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@](C)(CO)OC)[C@H](C)C1 ZINC000655787466 411236467 /nfs/dbraw/zinc/23/64/67/411236467.db2.gz WEKLEHODSRCPKP-FRRDWIJNSA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@](C)(CO)OC)[C@H](C)C1 ZINC000655787466 411236468 /nfs/dbraw/zinc/23/64/68/411236468.db2.gz WEKLEHODSRCPKP-FRRDWIJNSA-N 1 3 244.379 0.704 20 0 BCADHO C[C@H]([NH2+]C1COCCOC1)C1CCN(C)CC1 ZINC000310452382 411238434 /nfs/dbraw/zinc/23/84/34/411238434.db2.gz BXMFBTGNQGPLID-NSHDSACASA-N 1 3 242.363 0.722 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH3+])N(C)C ZINC000309538321 411165746 /nfs/dbraw/zinc/16/57/46/411165746.db2.gz FXKXQACYTIEBEZ-DTWKUNHWSA-N 1 3 201.314 0.036 20 0 BCADHO CC[C@](C)(N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457506 411266738 /nfs/dbraw/zinc/26/67/38/411266738.db2.gz XHLOWRJKVBRWQP-NSHDSACASA-N 1 3 223.324 0.787 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)NCC1=CCN(C)CC1 ZINC000659636429 411271566 /nfs/dbraw/zinc/27/15/66/411271566.db2.gz LMVJIOCYHIXEHL-JTQLQIEISA-N 1 3 240.351 0.155 20 0 BCADHO C[C@@H]([NH3+])Cn1cc(CCN2CCCCC2)nn1 ZINC000656464663 411271600 /nfs/dbraw/zinc/27/16/00/411271600.db2.gz WBYGGPXGURAYMM-LLVKDONJSA-N 1 3 237.351 0.654 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000659642165 411277794 /nfs/dbraw/zinc/27/77/94/411277794.db2.gz VVYUUFIPVBUMGW-SNVBAGLBSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)(C)[C@@H](N)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000656467457 411279890 /nfs/dbraw/zinc/27/98/90/411279890.db2.gz CIPBROPWDWPTIC-SCZZXKLOSA-N 1 3 223.324 0.858 20 0 BCADHO CC[C@](C)(N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468694 411280807 /nfs/dbraw/zinc/28/08/07/411280807.db2.gz RCUAAASUPCGXTR-KOLCDFICSA-N 1 3 223.324 0.787 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694835 411281659 /nfs/dbraw/zinc/28/16/59/411281659.db2.gz IXFWROWVOJYZIE-VQXHTEKXSA-N 1 3 227.352 0.746 20 0 BCADHO [NH3+]C1CCC(NC(=O)CNC2CC2)CC1 ZINC000051694900 411281772 /nfs/dbraw/zinc/28/17/72/411281772.db2.gz NFODYUXBKJLKIN-UHFFFAOYSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@H]1CNC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000401691748 411286361 /nfs/dbraw/zinc/28/63/61/411286361.db2.gz HEDYZDHJWIIXIJ-GHMZBOCLSA-N 1 3 208.309 0.471 20 0 BCADHO NC1(C(=O)N[C@H]2CC[NH2+]C2)CC2(CCC2)C1 ZINC000659302673 411294403 /nfs/dbraw/zinc/29/44/03/411294403.db2.gz IGDXAANDHGBRKS-VIFPVBQESA-N 1 3 223.320 0.126 20 0 BCADHO CC[C@@H](CCO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000217810608 411308509 /nfs/dbraw/zinc/30/85/09/411308509.db2.gz AIEJCEPNOCGRGW-NWDGAFQWSA-N 1 3 230.352 0.194 20 0 BCADHO CN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000402932539 411322044 /nfs/dbraw/zinc/32/20/44/411322044.db2.gz KXKQEGLFNZSMJO-LOWVWBTDSA-N 1 3 237.347 0.278 20 0 BCADHO CN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1=O ZINC000402932539 411322047 /nfs/dbraw/zinc/32/20/47/411322047.db2.gz KXKQEGLFNZSMJO-LOWVWBTDSA-N 1 3 237.347 0.278 20 0 BCADHO CN1CC[C@@H](N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000402932539 411322051 /nfs/dbraw/zinc/32/20/51/411322051.db2.gz KXKQEGLFNZSMJO-LOWVWBTDSA-N 1 3 237.347 0.278 20 0 BCADHO CCCN1CCC([NH2+]C/C=C\CO)CC1 ZINC000658134310 411259563 /nfs/dbraw/zinc/25/95/63/411259563.db2.gz VRLKSIDAVSQCID-ARJAWSKDSA-N 1 3 212.337 0.999 20 0 BCADHO CC(C)(N)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656787212 411366362 /nfs/dbraw/zinc/36/63/62/411366362.db2.gz HBMWQRGFESRYEX-JTQLQIEISA-N 1 3 223.324 0.337 20 0 BCADHO CC(C)(N)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656787212 411366364 /nfs/dbraw/zinc/36/63/64/411366364.db2.gz HBMWQRGFESRYEX-JTQLQIEISA-N 1 3 223.324 0.337 20 0 BCADHO COC[C@@H](C)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662156158 411369402 /nfs/dbraw/zinc/36/94/02/411369402.db2.gz KPOFJGJENQZGEU-YPMHNXCESA-N 1 3 242.363 0.552 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973217 411334894 /nfs/dbraw/zinc/33/48/94/411334894.db2.gz HTUATTLSXXEGFO-WDEREUQCSA-N 1 3 225.336 0.420 20 0 BCADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848469 411340719 /nfs/dbraw/zinc/34/07/19/411340719.db2.gz AAZJYCXFODGAFJ-FRRDWIJNSA-N 1 3 224.348 0.953 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)C1CCN(C2CC2)CC1 ZINC000659343514 411372336 /nfs/dbraw/zinc/37/23/36/411372336.db2.gz QNBYXGACMDHNSD-NSHDSACASA-N 1 3 237.347 0.339 20 0 BCADHO CO[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000659848475 411341720 /nfs/dbraw/zinc/34/17/20/411341720.db2.gz AAZJYCXFODGAFJ-RWMBFGLXSA-N 1 3 224.348 0.953 20 0 BCADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CC[NH2+]C1 ZINC000659301999 411390700 /nfs/dbraw/zinc/39/07/00/411390700.db2.gz BDFYXSCIKLFZSM-AAEUAGOBSA-N 1 3 245.326 0.699 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659492765 411459076 /nfs/dbraw/zinc/45/90/76/411459076.db2.gz KCTIPAQQTDMIMY-VIFPVBQESA-N 1 3 230.356 0.315 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000659311850 411393217 /nfs/dbraw/zinc/39/32/17/411393217.db2.gz QXEMISAWVHIBEX-JTQLQIEISA-N 1 3 227.352 0.489 20 0 BCADHO CC(C)NCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000659324211 411393940 /nfs/dbraw/zinc/39/39/40/411393940.db2.gz GTCASFCQZPLVSK-LBPRGKRZSA-N 1 3 247.342 0.901 20 0 BCADHO CNCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659347025 411400875 /nfs/dbraw/zinc/40/08/75/411400875.db2.gz CHHXOZBSSVCVLX-CHWSQXEVSA-N 1 3 247.342 0.468 20 0 BCADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH+](C)C ZINC000654480195 411403177 /nfs/dbraw/zinc/40/31/77/411403177.db2.gz RTAJQCKFFCHFBT-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO [NH3+]CCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659365810 411403934 /nfs/dbraw/zinc/40/39/34/411403934.db2.gz IHAOGXANYSFRLI-LBPRGKRZSA-N 1 3 249.314 0.635 20 0 BCADHO CNCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659377578 411406469 /nfs/dbraw/zinc/40/64/69/411406469.db2.gz HCOHOVXSRYGBTB-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@@H](C)[NH3+] ZINC000659388565 411410510 /nfs/dbraw/zinc/41/05/10/411410510.db2.gz KJACGGOAGYZTGP-DBIOUOCHSA-N 1 3 245.342 0.504 20 0 BCADHO CCN(CCNC(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000659448152 411416411 /nfs/dbraw/zinc/41/64/11/411416411.db2.gz MIZZWNAYIPBSAQ-SNVBAGLBSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000659460318 411417475 /nfs/dbraw/zinc/41/74/75/411417475.db2.gz OAIJNDLMDOHOQH-AXFHLTTASA-N 1 3 242.367 0.376 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000122576367 411433292 /nfs/dbraw/zinc/43/32/92/411433292.db2.gz XTIRPXIZIBYAJI-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659573904 411438880 /nfs/dbraw/zinc/43/88/80/411438880.db2.gz ULCVPFXHWMEIGU-UHFFFAOYSA-N 1 3 228.340 0.119 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659609727 411441509 /nfs/dbraw/zinc/44/15/09/411441509.db2.gz LDGYRRLVVPXSAV-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)N(C)CCN(C)C ZINC000659623810 411443783 /nfs/dbraw/zinc/44/37/83/411443783.db2.gz LTULSKDOBXWXNE-LLVKDONJSA-N 1 3 244.383 0.563 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N1CCN2CCC1CC2 ZINC000659634193 411443985 /nfs/dbraw/zinc/44/39/85/411443985.db2.gz JEIXJCONISGFPQ-JTQLQIEISA-N 1 3 240.351 0.084 20 0 BCADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000126568769 411444323 /nfs/dbraw/zinc/44/43/23/411444323.db2.gz WXQLVJWZSXRWKN-CYBMUJFWSA-N 1 3 247.342 0.840 20 0 BCADHO CCCN(C(=O)[C@H](CC)N(C)C)[C@H]1CC[NH2+]C1 ZINC000637834214 411444461 /nfs/dbraw/zinc/44/44/61/411444461.db2.gz YTJCEZZXAXCFOW-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N(CCN(C)C)C(C)C ZINC000659636448 411445235 /nfs/dbraw/zinc/44/52/35/411445235.db2.gz LXYCVHWGLHJKLF-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[C@H](N)c1ccccc1 ZINC000126669992 411451863 /nfs/dbraw/zinc/45/18/63/411451863.db2.gz BLYYWDKBJQXLNE-RTXFEEFZSA-N 1 3 247.342 0.801 20 0 BCADHO O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCCNCC1 ZINC000407252774 411476170 /nfs/dbraw/zinc/47/61/70/411476170.db2.gz HVHDLLNKLHAJBS-RYUDHWBXSA-N 1 3 237.347 0.339 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407322068 411480334 /nfs/dbraw/zinc/48/03/34/411480334.db2.gz JVUKWSIVBOPGJK-MNOVXSKESA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CO1 ZINC000657370321 411483755 /nfs/dbraw/zinc/48/37/55/411483755.db2.gz BRMATRIORDZGKZ-NEPJUHHUSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@]1(CNCCCn2ccnc2)CC[NH2+]C1 ZINC000415100065 411491802 /nfs/dbraw/zinc/49/18/02/411491802.db2.gz HHQWYYHXQLUNSO-LBPRGKRZSA-N 1 3 222.336 0.862 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037643430 170007251 /nfs/dbraw/zinc/00/72/51/170007251.db2.gz LTJCCLCXRPBKSN-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000037643430 170007253 /nfs/dbraw/zinc/00/72/53/170007253.db2.gz LTJCCLCXRPBKSN-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC)C[C@H]1C ZINC000354210334 170009272 /nfs/dbraw/zinc/00/92/72/170009272.db2.gz SJSDPWWKIKVJNN-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC)C[C@H]1C ZINC000354210334 170009273 /nfs/dbraw/zinc/00/92/73/170009273.db2.gz SJSDPWWKIKVJNN-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)C1 ZINC000040464015 170015863 /nfs/dbraw/zinc/01/58/63/170015863.db2.gz AWHNLYIRYMEVNU-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C(C)C)C1 ZINC000040464015 170015864 /nfs/dbraw/zinc/01/58/64/170015864.db2.gz AWHNLYIRYMEVNU-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000309987100 170016055 /nfs/dbraw/zinc/01/60/55/170016055.db2.gz YUDCNVBFXCZKNR-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)NC)C1 ZINC000309987100 170016057 /nfs/dbraw/zinc/01/60/57/170016057.db2.gz YUDCNVBFXCZKNR-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)NC)C1 ZINC000309987100 170016058 /nfs/dbraw/zinc/01/60/58/170016058.db2.gz YUDCNVBFXCZKNR-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000336751315 170017144 /nfs/dbraw/zinc/01/71/44/170017144.db2.gz CIPUVJCXQGAHQB-JHJVBQTASA-N 1 3 225.380 0.868 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H](COC)OC)[C@H](C)C1 ZINC000358428911 170021325 /nfs/dbraw/zinc/02/13/25/170021325.db2.gz DWKKBHSVJCZMOF-UPJWGTAASA-N 1 3 244.379 0.968 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H](COC)OC)[C@H](C)C1 ZINC000358428911 170021326 /nfs/dbraw/zinc/02/13/26/170021326.db2.gz DWKKBHSVJCZMOF-UPJWGTAASA-N 1 3 244.379 0.968 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125614 170022930 /nfs/dbraw/zinc/02/29/30/170022930.db2.gz IEJIARDYXKEWNM-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H]2CCC(=O)NC2)[C@@H](C)C1 ZINC000358125614 170022932 /nfs/dbraw/zinc/02/29/32/170022932.db2.gz IEJIARDYXKEWNM-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CCNC(=O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366563053 170051266 /nfs/dbraw/zinc/05/12/66/170051266.db2.gz UBFHMJFMBDEKIJ-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CCNC(=O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366563053 170051268 /nfs/dbraw/zinc/05/12/68/170051268.db2.gz UBFHMJFMBDEKIJ-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CCNC(=O)CN(CC)CCC1CC[NH2+]CC1 ZINC000042369468 170056856 /nfs/dbraw/zinc/05/68/56/170056856.db2.gz YSAOCJFDUMLSJZ-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)[C@@H](C)CC ZINC000236931168 170114436 /nfs/dbraw/zinc/11/44/36/170114436.db2.gz XLEVIHIPQZEZJL-IUCAKERBSA-N 1 3 201.314 0.086 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](C)N1CCCCCC1 ZINC000236925862 170115073 /nfs/dbraw/zinc/11/50/73/170115073.db2.gz JPXGQWXUZYTSPR-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000657831058 411609275 /nfs/dbraw/zinc/60/92/75/411609275.db2.gz RCNWTOCBOZSIRZ-GFCCVEGCSA-N 1 3 239.367 0.987 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657842081 411610221 /nfs/dbraw/zinc/61/02/21/411610221.db2.gz TUWHFBAHOBWZOI-RYUDHWBXSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)Cn2cncn2)C1 ZINC000657842081 411610223 /nfs/dbraw/zinc/61/02/23/411610223.db2.gz TUWHFBAHOBWZOI-RYUDHWBXSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)Cn2cncn2)C1 ZINC000657842081 411610225 /nfs/dbraw/zinc/61/02/25/411610225.db2.gz TUWHFBAHOBWZOI-RYUDHWBXSA-N 1 3 237.351 0.598 20 0 BCADHO CNC(=O)CCN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660656833 411614425 /nfs/dbraw/zinc/61/44/25/411614425.db2.gz YLRMWJCBZVYUAG-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CNC(=O)CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660656833 411614426 /nfs/dbraw/zinc/61/44/26/411614426.db2.gz YLRMWJCBZVYUAG-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CC(C)(C)CO ZINC000660670424 411616449 /nfs/dbraw/zinc/61/64/49/411616449.db2.gz HNSGILDRUSSPRS-LBPRGKRZSA-N 1 3 246.395 0.638 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CC(C)(C)CO ZINC000660670424 411616450 /nfs/dbraw/zinc/61/64/50/411616450.db2.gz HNSGILDRUSSPRS-LBPRGKRZSA-N 1 3 246.395 0.638 20 0 BCADHO Cc1nccn1CC[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000660722366 411618960 /nfs/dbraw/zinc/61/89/60/411618960.db2.gz HFBZXKPYCPEACC-OLZOCXBDSA-N 1 3 234.347 0.827 20 0 BCADHO Cc1nccn1CC[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000660722366 411618961 /nfs/dbraw/zinc/61/89/61/411618961.db2.gz HFBZXKPYCPEACC-OLZOCXBDSA-N 1 3 234.347 0.827 20 0 BCADHO Cn1cncc1CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000314415415 411690235 /nfs/dbraw/zinc/69/02/35/411690235.db2.gz VHBJKQFEBWQNIW-RYUDHWBXSA-N 1 3 234.347 0.504 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CCOC2(CNC2)C1 ZINC000663510129 411692794 /nfs/dbraw/zinc/69/27/94/411692794.db2.gz NQBYRTJHYIERJX-NSHDSACASA-N 1 3 227.352 0.034 20 0 BCADHO O=C(C[NH2+]C1CC1)NCCN1CCCCC1 ZINC000049575506 322929344 /nfs/dbraw/zinc/92/93/44/322929344.db2.gz YZVBZDJTNUEHBS-UHFFFAOYSA-N 1 3 225.336 0.341 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC2(COC2)C1 ZINC000662075138 411976924 /nfs/dbraw/zinc/97/69/24/411976924.db2.gz YQCYTOITBAPYMN-GFCCVEGCSA-N 1 3 242.363 0.410 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC2(COC2)C1 ZINC000662075138 411976928 /nfs/dbraw/zinc/97/69/28/411976928.db2.gz YQCYTOITBAPYMN-GFCCVEGCSA-N 1 3 242.363 0.410 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NCC1(CO)COC1 ZINC000662174480 412019799 /nfs/dbraw/zinc/01/97/99/412019799.db2.gz CJMZCTSVJXTOMV-UHFFFAOYSA-N 1 3 244.379 0.705 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NCC1(CO)COC1 ZINC000662174480 412019801 /nfs/dbraw/zinc/01/98/01/412019801.db2.gz CJMZCTSVJXTOMV-UHFFFAOYSA-N 1 3 244.379 0.705 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139247 412001209 /nfs/dbraw/zinc/00/12/09/412001209.db2.gz BTNPENVXZWDTHX-AGIUHOORSA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000662139247 412001211 /nfs/dbraw/zinc/00/12/11/412001211.db2.gz BTNPENVXZWDTHX-AGIUHOORSA-N 1 3 244.379 0.249 20 0 BCADHO C[C@@H](O)CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662150108 412009599 /nfs/dbraw/zinc/00/95/99/412009599.db2.gz UDESQOJSHRDGSA-YPMHNXCESA-N 1 3 242.363 0.288 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)CN ZINC000664721935 412014435 /nfs/dbraw/zinc/01/44/35/412014435.db2.gz WNSJZTPFAHULNH-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)CN ZINC000664721935 412014437 /nfs/dbraw/zinc/01/44/37/412014437.db2.gz WNSJZTPFAHULNH-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO Nc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000647546824 411958194 /nfs/dbraw/zinc/95/81/94/411958194.db2.gz CXSDAZBYTJZARQ-MNOVXSKESA-N 1 3 220.320 1.023 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)C[C@H](C)[NH2+]1 ZINC000662242968 412037841 /nfs/dbraw/zinc/03/78/41/412037841.db2.gz FYSLNPKZPZQMHE-TUAOUCFPSA-N 1 3 239.363 0.190 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000664895784 412039917 /nfs/dbraw/zinc/03/99/17/412039917.db2.gz ILQVRCWFGKIZOO-QWRGUYRKSA-N 1 3 244.383 0.576 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662247175 412045229 /nfs/dbraw/zinc/04/52/29/412045229.db2.gz USPHRLJEZHFKCW-RYUDHWBXSA-N 1 3 239.363 0.049 20 0 BCADHO COC[C@@H](CN[C@](C)(C[NH3+])C1CC1)OC ZINC000662248036 412046335 /nfs/dbraw/zinc/04/63/35/412046335.db2.gz RFNZNEPKZJLPBZ-GHMZBOCLSA-N 1 3 216.325 0.365 20 0 BCADHO C[C@H]1CC[N@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254626 412050310 /nfs/dbraw/zinc/05/03/10/412050310.db2.gz QVVOCDWDHYXCID-QWRGUYRKSA-N 1 3 210.321 0.849 20 0 BCADHO C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CNC3)O2)C1 ZINC000662254626 412050314 /nfs/dbraw/zinc/05/03/14/412050314.db2.gz QVVOCDWDHYXCID-QWRGUYRKSA-N 1 3 210.321 0.849 20 0 BCADHO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCOC1 ZINC000662258986 412053220 /nfs/dbraw/zinc/05/32/20/412053220.db2.gz ZSGYUXFAIQESNV-MNOVXSKESA-N 1 3 226.320 0.228 20 0 BCADHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCOC1 ZINC000662258985 412054567 /nfs/dbraw/zinc/05/45/67/412054567.db2.gz ZSGYUXFAIQESNV-GHMZBOCLSA-N 1 3 226.320 0.228 20 0 BCADHO COC[C@H](CN1C[C@H](C[NH3+])C[C@@H]1C)OC ZINC000662265550 412058229 /nfs/dbraw/zinc/05/82/29/412058229.db2.gz QXKRMOIVGLMIMP-DCAQKATOSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@H](CN)C[C@@H]1C)OC ZINC000662265550 412058231 /nfs/dbraw/zinc/05/82/31/412058231.db2.gz QXKRMOIVGLMIMP-DCAQKATOSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@H+]1C[C@H](CN)C[C@@H]1C)OC ZINC000662265550 412058234 /nfs/dbraw/zinc/05/82/34/412058234.db2.gz QXKRMOIVGLMIMP-DCAQKATOSA-N 1 3 216.325 0.317 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000353458268 171147164 /nfs/dbraw/zinc/14/71/64/171147164.db2.gz IYRVKLMOWNDZBU-RHYQMDGZSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCCC1 ZINC000353463684 171147240 /nfs/dbraw/zinc/14/72/40/171147240.db2.gz WIJGZIMQAHBHHQ-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CN(CC[C@@H]1CCCCO1)C[C@H](O)C[NH3+] ZINC000662276553 412069509 /nfs/dbraw/zinc/06/95/09/412069509.db2.gz KJMMHEYNGOIEGI-MNOVXSKESA-N 1 3 216.325 0.197 20 0 BCADHO C[N@H+](CC[C@@H]1CCCCO1)C[C@H](O)CN ZINC000662276553 412069512 /nfs/dbraw/zinc/06/95/12/412069512.db2.gz KJMMHEYNGOIEGI-MNOVXSKESA-N 1 3 216.325 0.197 20 0 BCADHO C[N@@H+](CC[C@@H]1CCCCO1)C[C@H](O)CN ZINC000662276553 412069515 /nfs/dbraw/zinc/06/95/15/412069515.db2.gz KJMMHEYNGOIEGI-MNOVXSKESA-N 1 3 216.325 0.197 20 0 BCADHO CN(CC[C@@H]1CCCCO1)C[C@@H](O)C[NH3+] ZINC000662276554 412069622 /nfs/dbraw/zinc/06/96/22/412069622.db2.gz KJMMHEYNGOIEGI-QWRGUYRKSA-N 1 3 216.325 0.197 20 0 BCADHO C[N@H+](CC[C@@H]1CCCCO1)C[C@@H](O)CN ZINC000662276554 412069625 /nfs/dbraw/zinc/06/96/25/412069625.db2.gz KJMMHEYNGOIEGI-QWRGUYRKSA-N 1 3 216.325 0.197 20 0 BCADHO C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H](O)CN ZINC000662276554 412069628 /nfs/dbraw/zinc/06/96/28/412069628.db2.gz KJMMHEYNGOIEGI-QWRGUYRKSA-N 1 3 216.325 0.197 20 0 BCADHO C([C@@H]1CNCCO1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000662277577 412069747 /nfs/dbraw/zinc/06/97/47/412069747.db2.gz QFSVZJXDXLPINB-STQMWFEESA-N 1 3 239.363 0.050 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)N(C)C ZINC000125098988 171223932 /nfs/dbraw/zinc/22/39/32/171223932.db2.gz ROIWWGMHXKUQEM-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N(C)C ZINC000373041638 171225783 /nfs/dbraw/zinc/22/57/83/171225783.db2.gz HFASKCNARXKUBC-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO COC[C@H](CN1CC[C@H](C)[C@@H](C[NH3+])C1)OC ZINC000662282617 412072787 /nfs/dbraw/zinc/07/27/87/412072787.db2.gz PDQFWEYNNFHKQX-SRVKXCTJSA-N 1 3 230.352 0.565 20 0 BCADHO CC[C@H](C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC000124575377 171227332 /nfs/dbraw/zinc/22/73/32/171227332.db2.gz MHBYOWOCIRMTPH-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO COC[C@H](CN1CC[C@@H](C)[C@@H](C[NH3+])C1)OC ZINC000662282622 412073780 /nfs/dbraw/zinc/07/37/80/412073780.db2.gz PDQFWEYNNFHKQX-WOPDTQHZSA-N 1 3 230.352 0.565 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCC2(CNC2)O1 ZINC000662283292 412074576 /nfs/dbraw/zinc/07/45/76/412074576.db2.gz HCJVMMTZUNCUHU-IJLUTSLNSA-N 1 3 239.363 0.319 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)N ZINC000077307737 171304868 /nfs/dbraw/zinc/30/48/68/171304868.db2.gz LCSCEMRTNIRTGB-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)N ZINC000077307737 171304870 /nfs/dbraw/zinc/30/48/70/171304870.db2.gz LCSCEMRTNIRTGB-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO C[C@H](O)C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285167 412078437 /nfs/dbraw/zinc/07/84/37/412078437.db2.gz YMWBPXUKUIJUJC-JQWIXIFHSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@H](O)C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285167 412078439 /nfs/dbraw/zinc/07/84/39/412078439.db2.gz YMWBPXUKUIJUJC-JQWIXIFHSA-N 1 3 240.347 0.353 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503566 171370484 /nfs/dbraw/zinc/37/04/84/171370484.db2.gz SRCSQMGRXBSMRJ-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377369 171370661 /nfs/dbraw/zinc/37/06/61/171370661.db2.gz BHOKXCBSAUAUJT-WDEREUQCSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000035663365 171371480 /nfs/dbraw/zinc/37/14/80/171371480.db2.gz LUAWBCJOSIIFID-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098268 171393796 /nfs/dbraw/zinc/39/37/96/171393796.db2.gz PSVQBWZUMVWJLV-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377327 171393828 /nfs/dbraw/zinc/39/38/28/171393828.db2.gz BHOKXCBSAUAUJT-QWRGUYRKSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368104656 171394498 /nfs/dbraw/zinc/39/44/98/171394498.db2.gz IKQJXNCJNZKQOA-YFKTTZPYSA-N 1 3 239.363 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000062972000 171394792 /nfs/dbraw/zinc/39/47/92/171394792.db2.gz AYRFDIJGXXTTEH-AXFHLTTASA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000040464017 171395249 /nfs/dbraw/zinc/39/52/49/171395249.db2.gz XNDBNJDIBYVZHK-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000040464017 171395251 /nfs/dbraw/zinc/39/52/51/171395251.db2.gz XNDBNJDIBYVZHK-TUAOUCFPSA-N 1 3 241.379 0.818 20 0 BCADHO NC1(C(=O)NC2CC[NH2+]CC2)CC2(CCC2)C1 ZINC000662389300 412139569 /nfs/dbraw/zinc/13/95/69/412139569.db2.gz AUUVTVBJARBTRP-UHFFFAOYSA-N 1 3 237.347 0.516 20 0 BCADHO CC(C)NC(=O)[C@H]1CCCN(CCC[NH3+])C1 ZINC000662316674 412098087 /nfs/dbraw/zinc/09/80/87/412098087.db2.gz LUVPSGFEQKDTNP-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO COC[C@H](N[C@@H](C)C1C[NH2+]C1)C1CCOCC1 ZINC000665236315 412175907 /nfs/dbraw/zinc/17/59/07/412175907.db2.gz KFUDDIMIISHEPU-GWCFXTLKSA-N 1 3 242.363 0.626 20 0 BCADHO COC[C@H]([NH2+][C@@H](C)C1CNC1)C1CCOCC1 ZINC000665236315 412175911 /nfs/dbraw/zinc/17/59/11/412175911.db2.gz KFUDDIMIISHEPU-GWCFXTLKSA-N 1 3 242.363 0.626 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000662450733 412179452 /nfs/dbraw/zinc/17/94/52/412179452.db2.gz DNKIBMIVLAYNLI-GFCCVEGCSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232264 171477646 /nfs/dbraw/zinc/47/76/46/171477646.db2.gz RLXZMFGTWBLDPX-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO Cc1nc(CN)ccc1[C@@H](C)N[C@H]1CC[NH2+]C1 ZINC000665241465 412184414 /nfs/dbraw/zinc/18/44/14/412184414.db2.gz NDLIVJIMNJPYGU-PWSUYJOCSA-N 1 3 234.347 0.861 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000662474100 412187531 /nfs/dbraw/zinc/18/75/31/412187531.db2.gz UCAQWJLEAIWFEK-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000662474101 412187858 /nfs/dbraw/zinc/18/78/58/412187858.db2.gz UCAQWJLEAIWFEK-SDDRHHMPSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1 ZINC000662516134 412201551 /nfs/dbraw/zinc/20/15/51/412201551.db2.gz ZURKVWYWHXMSFR-GRYCIOLGSA-N 1 3 239.363 0.570 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662522741 412203975 /nfs/dbraw/zinc/20/39/75/412203975.db2.gz MVJNYJDDSXDTEU-SDDRHHMPSA-N 1 3 239.363 0.442 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000665262009 412204133 /nfs/dbraw/zinc/20/41/33/412204133.db2.gz QYROEHKQPCDSNT-HBNTYKKESA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@@H](O)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000665262009 412204137 /nfs/dbraw/zinc/20/41/37/412204137.db2.gz QYROEHKQPCDSNT-HBNTYKKESA-N 1 3 200.326 0.735 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000662525393 412204405 /nfs/dbraw/zinc/20/44/05/412204405.db2.gz SAFNZBIRVJJDQH-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)N(C)C ZINC000662527810 412206137 /nfs/dbraw/zinc/20/61/37/412206137.db2.gz ZRSHLTKFBPWTCO-RKDXNWHRSA-N 1 3 201.314 0.051 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000662540392 412210566 /nfs/dbraw/zinc/21/05/66/412210566.db2.gz WBFCWKRCTLOPQU-MNOVXSKESA-N 1 3 239.363 0.726 20 0 BCADHO C[NH2+]CCCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662397323 412147468 /nfs/dbraw/zinc/14/74/68/412147468.db2.gz CRDOVOOBGXZXCX-ZDUSSCGKSA-N 1 3 247.342 0.947 20 0 BCADHO CC[NH2+]CCCNC(=O)C1(N)CC2(CCC2)C1 ZINC000662399074 412147618 /nfs/dbraw/zinc/14/76/18/412147618.db2.gz GAEUJRYZMJSYGY-UHFFFAOYSA-N 1 3 239.363 0.764 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000662404206 412149958 /nfs/dbraw/zinc/14/99/58/412149958.db2.gz QVHVITVVPKBLQF-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000662404206 412149961 /nfs/dbraw/zinc/14/99/61/412149961.db2.gz QVHVITVVPKBLQF-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000662404206 412149966 /nfs/dbraw/zinc/14/99/66/412149966.db2.gz QVHVITVVPKBLQF-WOPDTQHZSA-N 1 3 241.379 0.831 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662403460 412150375 /nfs/dbraw/zinc/15/03/75/412150375.db2.gz DCERGZXRUNUSKI-WCQYABFASA-N 1 3 245.326 0.781 20 0 BCADHO C[NH2+]CCNC(=O)c1cc2c(s1)CCNC2 ZINC000662408705 412150478 /nfs/dbraw/zinc/15/04/78/412150478.db2.gz YNDDPXGQJCCVSA-UHFFFAOYSA-N 1 3 239.344 0.343 20 0 BCADHO [NH3+][C@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662403179 412150601 /nfs/dbraw/zinc/15/06/01/412150601.db2.gz ATNROOSFXFYXQM-VIFPVBQESA-N 1 3 223.320 0.221 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN(C)C1CC1 ZINC000662410249 412154180 /nfs/dbraw/zinc/15/41/80/412154180.db2.gz XAHSIJZBPANNRD-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+]CCNC(=O)C1(NC2CC2)CCC1 ZINC000662408897 412154499 /nfs/dbraw/zinc/15/44/99/412154499.db2.gz CRQQTQHKGXMXPL-UHFFFAOYSA-N 1 3 225.336 0.387 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](N)c1ccccc1 ZINC000662414219 412156472 /nfs/dbraw/zinc/15/64/72/412156472.db2.gz WRTFZVFPBNBYGI-NWDGAFQWSA-N 1 3 235.331 0.801 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@H](N)c1ccccc1 ZINC000662413882 412157298 /nfs/dbraw/zinc/15/72/98/412157298.db2.gz RWOAWDAHQOHCJH-LBPRGKRZSA-N 1 3 235.331 0.801 20 0 BCADHO N[C@@H](CNC(=O)CC1([NH3+])CC1)c1ccccc1 ZINC000662413175 412157604 /nfs/dbraw/zinc/15/76/04/412157604.db2.gz MEDLCCILBHNUTI-NSHDSACASA-N 1 3 233.315 0.684 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000665272577 412214105 /nfs/dbraw/zinc/21/41/05/412214105.db2.gz HSHRPIRMVKWEPU-OUAUKWLOSA-N 1 3 225.336 0.243 20 0 BCADHO COC[C@H](CC[NH2+][C@H]1CCC[C@H]1CN)OC ZINC000665235490 412173887 /nfs/dbraw/zinc/17/38/87/412173887.db2.gz WRGBCGHJGZMBEI-SRVKXCTJSA-N 1 3 230.352 0.755 20 0 BCADHO COC[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000665235405 412174528 /nfs/dbraw/zinc/17/45/28/412174528.db2.gz VVJDIMRLIKLVJK-HNGCFSAESA-N 1 3 242.363 0.911 20 0 BCADHO COC[C@H](CC[NH2+][C@H]1CCC[C@@H]1CN)OC ZINC000665235491 412174884 /nfs/dbraw/zinc/17/48/84/412174884.db2.gz WRGBCGHJGZMBEI-WOPDTQHZSA-N 1 3 230.352 0.755 20 0 BCADHO CC(C)[C@@H](C(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000662649824 412255993 /nfs/dbraw/zinc/25/59/93/412255993.db2.gz LKPWVQICLCYKCK-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NCC1([NH3+])CCCC1 ZINC000662650243 412256438 /nfs/dbraw/zinc/25/64/38/412256438.db2.gz XOZYZIAUKCDWPI-ZETCQYMHSA-N 1 3 235.278 0.357 20 0 BCADHO CC(C)N(C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662653843 412258989 /nfs/dbraw/zinc/25/89/89/412258989.db2.gz YBULCMUVDUOAEW-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)NC2CCN(C3CC3)CC2)C1 ZINC000662671352 412265640 /nfs/dbraw/zinc/26/56/40/412265640.db2.gz NRMVLIFYEIJVEG-MGCOHNPYSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNc1cnccn1 ZINC000361981279 412265845 /nfs/dbraw/zinc/26/58/45/412265845.db2.gz NSVGBIZGKKKGFF-RYUDHWBXSA-N 1 3 249.362 0.818 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNc1cnccn1 ZINC000361981279 412265848 /nfs/dbraw/zinc/26/58/48/412265848.db2.gz NSVGBIZGKKKGFF-RYUDHWBXSA-N 1 3 249.362 0.818 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662674910 412267495 /nfs/dbraw/zinc/26/74/95/412267495.db2.gz GFJBDOQWBBSRSD-SQLBVSGCSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)N(C)C ZINC000662693039 412267505 /nfs/dbraw/zinc/26/75/05/412267505.db2.gz NCEFQGRFSHUJHN-UWVGGRQHSA-N 1 3 227.352 0.441 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)CC2([NH3+])CC2)C1 ZINC000662680079 412268079 /nfs/dbraw/zinc/26/80/79/412268079.db2.gz FEKOSWKYMGUJGW-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)CC1([NH3+])CC1 ZINC000662679873 412268488 /nfs/dbraw/zinc/26/84/88/412268488.db2.gz DBLKLONNYLPVHO-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000662678922 412268643 /nfs/dbraw/zinc/26/86/43/412268643.db2.gz KLQDMBQYHVVVDI-SRVKXCTJSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)N(C)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662679660 412268751 /nfs/dbraw/zinc/26/87/51/412268751.db2.gz SHGSHDNHEZNDNO-UHFFFAOYSA-N 1 3 225.336 0.276 20 0 BCADHO CCN(CC)CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662679354 412268874 /nfs/dbraw/zinc/26/88/74/412268874.db2.gz MXLMQTPWNHXJPB-UHFFFAOYSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC2(CCC2)C1)[NH+](C)C ZINC000662692716 412273038 /nfs/dbraw/zinc/27/30/38/412273038.db2.gz FYAHMKNVLRFXCQ-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CCNC(=O)[C@H]1[NH2+]CCC1(C)C)C1CC1 ZINC000662696489 412274590 /nfs/dbraw/zinc/27/45/90/412274590.db2.gz LIJRRWDDEDUAHW-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000662703926 412276644 /nfs/dbraw/zinc/27/66/44/412276644.db2.gz WFTGHICWPNVIDQ-OPRDCNLKSA-N 1 3 223.320 0.077 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662713127 412280194 /nfs/dbraw/zinc/28/01/94/412280194.db2.gz UWSHWPSCPGOREM-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)C(N)C(F)(F)F ZINC000662731190 412286844 /nfs/dbraw/zinc/28/68/44/412286844.db2.gz ZKPOWFMHFIQEBT-RQJHMYQMSA-N 1 3 241.257 0.366 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000662560551 412219336 /nfs/dbraw/zinc/21/93/36/412219336.db2.gz GFGLSPLFEUPCPN-ZJUUUORDSA-N 1 3 213.325 0.241 20 0 BCADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCOC1 ZINC000665277503 412220715 /nfs/dbraw/zinc/22/07/15/412220715.db2.gz CUCLWIPLPFRPKU-VOBJUBJWSA-N 1 3 210.321 0.753 20 0 BCADHO C[C@H]([NH2+]CC12CC(C1)CN2)[C@@H]1CCOC1 ZINC000665277502 412221129 /nfs/dbraw/zinc/22/11/29/412221129.db2.gz CUCLWIPLPFRPKU-UZEXVOJHSA-N 1 3 210.321 0.753 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277951 412221610 /nfs/dbraw/zinc/22/16/10/412221610.db2.gz QGXBRQKYLRCHPI-VSUDMTKCSA-N 1 3 235.375 0.811 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)CCC[NH3+] ZINC000662567579 412222238 /nfs/dbraw/zinc/22/22/38/412222238.db2.gz GPMBIQKBFNUWQH-VIFPVBQESA-N 1 3 201.314 0.228 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000662570007 412223919 /nfs/dbraw/zinc/22/39/19/412223919.db2.gz FFWFRCUZXWLUDK-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]1COCC[C@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280338 412224215 /nfs/dbraw/zinc/22/42/15/412224215.db2.gz ZGLGVODRSYBOAJ-UZEXVOJHSA-N 1 3 210.321 0.753 20 0 BCADHO C[C@H]1COCC[C@@H]1[NH2+]CC12CC(C1)CN2 ZINC000665280339 412225203 /nfs/dbraw/zinc/22/52/03/412225203.db2.gz ZGLGVODRSYBOAJ-VOBJUBJWSA-N 1 3 210.321 0.753 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595258 412233547 /nfs/dbraw/zinc/23/35/47/412233547.db2.gz ZFTHYVAMAPJXOR-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595258 412233549 /nfs/dbraw/zinc/23/35/49/412233549.db2.gz ZFTHYVAMAPJXOR-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662592165 412234120 /nfs/dbraw/zinc/23/41/20/412234120.db2.gz XOBYIEJNVOTVPA-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CC)CC(=O)N(C)CC(C)(C)[NH3+] ZINC000662610802 412240850 /nfs/dbraw/zinc/24/08/50/412240850.db2.gz STRGYYFINHWZBU-UHFFFAOYSA-N 1 3 215.341 0.524 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000665296667 412242774 /nfs/dbraw/zinc/24/27/74/412242774.db2.gz WCJGXVKCNCGIJQ-GARJFASQSA-N 1 3 211.353 0.809 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000665296768 412244144 /nfs/dbraw/zinc/24/41/44/412244144.db2.gz XOFVKOIWYWJPSH-NHCYSSNCSA-N 1 3 211.353 0.667 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000665296767 412245376 /nfs/dbraw/zinc/24/53/76/412245376.db2.gz XOFVKOIWYWJPSH-JFGNBEQYSA-N 1 3 211.353 0.667 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794180 412305475 /nfs/dbraw/zinc/30/54/75/412305475.db2.gz PKZLTKSSINAYPB-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662811710 412307191 /nfs/dbraw/zinc/30/71/91/412307191.db2.gz ATJJFZPWVJNSFM-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662811707 412307275 /nfs/dbraw/zinc/30/72/75/412307275.db2.gz ATJJFZPWVJNSFM-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO CN(CC[NH3+])C(=O)C1(N)CC2(CCC2)C1 ZINC000662813551 412308897 /nfs/dbraw/zinc/30/88/97/412308897.db2.gz KMLPSSACFOFCTH-UHFFFAOYSA-N 1 3 211.309 0.065 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662816882 412309604 /nfs/dbraw/zinc/30/96/04/412309604.db2.gz QCZIWTZJWGIIFL-SRVKXCTJSA-N 1 3 245.326 0.640 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCCN(C(C)C)CC1 ZINC000662820797 412310632 /nfs/dbraw/zinc/31/06/32/412310632.db2.gz CSSRNROUAVZORT-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCCCN1 ZINC000662842976 412318797 /nfs/dbraw/zinc/31/87/97/412318797.db2.gz OAXUQJKZOHGGAG-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO NCC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662846071 412319702 /nfs/dbraw/zinc/31/97/02/412319702.db2.gz NQKNZADWYOXMTH-LLVKDONJSA-N 1 3 225.336 0.183 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662857444 412327332 /nfs/dbraw/zinc/32/73/32/412327332.db2.gz AWLRUFBIOJGVHU-VWYCJHECSA-N 1 3 229.368 0.816 20 0 BCADHO CNCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001683 412367046 /nfs/dbraw/zinc/36/70/46/412367046.db2.gz XPNNJAIVJOJJIL-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO CNCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001683 412367050 /nfs/dbraw/zinc/36/70/50/412367050.db2.gz XPNNJAIVJOJJIL-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876549 412333636 /nfs/dbraw/zinc/33/36/36/412333636.db2.gz ZWZASRFTZYNIQN-MSLYCWSTSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924021 412346704 /nfs/dbraw/zinc/34/67/04/412346704.db2.gz WVQPVSYFSSBWKB-MSLYCWSTSA-N 1 3 237.347 0.243 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000662925887 412346712 /nfs/dbraw/zinc/34/67/12/412346712.db2.gz DPLPCQTXZFKICM-IJLUTSLNSA-N 1 3 241.379 0.864 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000662924023 412347429 /nfs/dbraw/zinc/34/74/29/412347429.db2.gz WVQPVSYFSSBWKB-YLXHPXFOSA-N 1 3 237.347 0.243 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000662944907 412350678 /nfs/dbraw/zinc/35/06/78/412350678.db2.gz ANPWGIZWFRQBHN-GWOFURMSSA-N 1 3 243.326 0.272 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000662954770 412353471 /nfs/dbraw/zinc/35/34/71/412353471.db2.gz ZIOKOFRBQPXZLC-PWSUYJOCSA-N 1 3 235.331 0.453 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)C[NH2+]C ZINC000662966683 412358679 /nfs/dbraw/zinc/35/86/79/412358679.db2.gz UPMFZMJLTLRDBH-HLTSFMKQSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H]1NCCCC1(C)C ZINC000662967144 412359047 /nfs/dbraw/zinc/35/90/47/412359047.db2.gz FSMQMGZNAVTDIK-VHSXEESVSA-N 1 3 227.352 0.489 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CC[C@H](C)C1 ZINC000662747480 412289620 /nfs/dbraw/zinc/28/96/20/412289620.db2.gz ZAECHNOSKVOILM-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNc1cnccn1 ZINC000422883178 412298896 /nfs/dbraw/zinc/29/88/96/412298896.db2.gz BUAFYRIKIQZVES-NWDGAFQWSA-N 1 3 249.362 0.996 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000422883178 412298901 /nfs/dbraw/zinc/29/89/01/412298901.db2.gz BUAFYRIKIQZVES-NWDGAFQWSA-N 1 3 249.362 0.996 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000662782358 412299670 /nfs/dbraw/zinc/29/96/70/412299670.db2.gz ZAFKEQUJNHZOAV-XFWSIPNHSA-N 1 3 213.325 0.097 20 0 BCADHO CN(C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662779424 412299729 /nfs/dbraw/zinc/29/97/29/412299729.db2.gz LUGOLKMVYJWNOG-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(NC2CC2)CCC1 ZINC000662778010 412300089 /nfs/dbraw/zinc/30/00/89/412300089.db2.gz KPTWXSKBKKHMEI-ONGXEEELSA-N 1 3 237.347 0.609 20 0 BCADHO CN(C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662778203 412300166 /nfs/dbraw/zinc/30/01/66/412300166.db2.gz FSGNGGCLRYCYCV-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000662999890 412366025 /nfs/dbraw/zinc/36/60/25/412366025.db2.gz CWHVKDUVLJZTTM-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000662999890 412366027 /nfs/dbraw/zinc/36/60/27/412366027.db2.gz CWHVKDUVLJZTTM-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662781560 412300902 /nfs/dbraw/zinc/30/09/02/412300902.db2.gz DCYOQSKLSHULOU-NSHDSACASA-N 1 3 247.342 0.799 20 0 BCADHO COCCN(CCN(C)C)C(=O)C[NH2+]C(C)C ZINC000662791259 412304068 /nfs/dbraw/zinc/30/40/68/412304068.db2.gz POUYBAOGPZYWGJ-UHFFFAOYSA-N 1 3 245.367 0.021 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794181 412304748 /nfs/dbraw/zinc/30/47/48/412304748.db2.gz PKZLTKSSINAYPB-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO CCN(CC)CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663009547 412368778 /nfs/dbraw/zinc/36/87/78/412368778.db2.gz FCKSXYUTSVKOHG-NSHDSACASA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@]1(NC(=O)[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000663012142 412369523 /nfs/dbraw/zinc/36/95/23/412369523.db2.gz UQMFOSSJLNLFBC-PSASIEDQSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@]1(NC(=O)c2cccc3c2CNC3)CC[NH2+]C1 ZINC000663013958 412370829 /nfs/dbraw/zinc/37/08/29/412370829.db2.gz HWEXVZIWFNNHQN-AWEZNQCLSA-N 1 3 245.326 0.772 20 0 BCADHO CCCN(C(=O)[C@H](N)CC)[C@H]1CC[NH2+]C1 ZINC000309787599 487623281 /nfs/dbraw/zinc/62/32/81/487623281.db2.gz OMIJXRMNDDUHLV-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CCn1nccc1CC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000374758747 172261467 /nfs/dbraw/zinc/26/14/67/172261467.db2.gz CWJZGHNVKFRVEM-BETUJISGSA-N 1 3 248.374 0.939 20 0 BCADHO CCn1nccc1CC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000374758747 172261468 /nfs/dbraw/zinc/26/14/68/172261468.db2.gz CWJZGHNVKFRVEM-BETUJISGSA-N 1 3 248.374 0.939 20 0 BCADHO CN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)C1CC1 ZINC000070074168 172307779 /nfs/dbraw/zinc/30/77/79/172307779.db2.gz HBDNQSMOTYROIK-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000375355097 172395852 /nfs/dbraw/zinc/39/58/52/172395852.db2.gz IMKQKXDBRMLRMN-DTWKUNHWSA-N 1 3 231.315 0.143 20 0 BCADHO C[NH+]1CCC(N[C@H](CO)CC(F)F)CC1 ZINC000308969843 172997675 /nfs/dbraw/zinc/99/76/75/172997675.db2.gz YMYYNKDYKZZYEH-VIFPVBQESA-N 1 3 222.279 0.686 20 0 BCADHO CN1CCCC[C@H]1CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000364201946 173007352 /nfs/dbraw/zinc/00/73/52/173007352.db2.gz GZLCGEHZIFITKI-RWMBFGLXSA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCC[C@H]1CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000364201946 173007355 /nfs/dbraw/zinc/00/73/55/173007355.db2.gz GZLCGEHZIFITKI-RWMBFGLXSA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042171182 173021130 /nfs/dbraw/zinc/02/11/30/173021130.db2.gz SADCWKMZYUOLLO-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+](CCO)CCCO ZINC000305713809 173028531 /nfs/dbraw/zinc/02/85/31/173028531.db2.gz GIMGEIJGKFISJE-GFCCVEGCSA-N 1 3 230.352 0.147 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+](CCO)CCCO ZINC000305713809 173028533 /nfs/dbraw/zinc/02/85/33/173028533.db2.gz GIMGEIJGKFISJE-GFCCVEGCSA-N 1 3 230.352 0.147 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226394197 173030212 /nfs/dbraw/zinc/03/02/12/173030212.db2.gz ZSVCAHBWXVUQEP-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000226394149 173030529 /nfs/dbraw/zinc/03/05/29/173030529.db2.gz VTXMPHHIWUZMGO-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CN1CCC[C@@H]2C[N@H+](CCCO)CC[C@H]21 ZINC000227342756 173035975 /nfs/dbraw/zinc/03/59/75/173035975.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CCC[C@@H]2C[N@@H+](CCCO)CC[C@H]21 ZINC000227342756 173035978 /nfs/dbraw/zinc/03/59/78/173035978.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(CCCO)CC[C@H]21 ZINC000227342756 173035979 /nfs/dbraw/zinc/03/59/79/173035979.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(CCCO)CC[C@H]21 ZINC000227342756 173035981 /nfs/dbraw/zinc/03/59/81/173035981.db2.gz QBVUDGSVTGYKIO-VXGBXAGGSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCNC(C)(C)CC(N)=O ZINC000309544290 173053488 /nfs/dbraw/zinc/05/34/88/173053488.db2.gz GNKGSSWNCHGUMN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[N@H+]1CCC[C@H]1CCNC(C)(C)CC(N)=O ZINC000309544290 173053491 /nfs/dbraw/zinc/05/34/91/173053491.db2.gz GNKGSSWNCHGUMN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CN1CC[C@H]([NH2+]CCOCCO)[C@@H]2CCC[C@@H]21 ZINC000368609471 173152813 /nfs/dbraw/zinc/15/28/13/173152813.db2.gz YMXZYHZFCVVZSR-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO C[N@@H+]1CC[C@H](NCCOCCO)[C@@H]2CCC[C@@H]21 ZINC000368609471 173152816 /nfs/dbraw/zinc/15/28/16/173152816.db2.gz YMXZYHZFCVVZSR-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO C[N@H+]1CC[C@H](NCCOCCO)[C@@H]2CCC[C@@H]21 ZINC000368609471 173152818 /nfs/dbraw/zinc/15/28/18/173152818.db2.gz YMXZYHZFCVVZSR-AVGNSLFASA-N 1 3 242.363 0.458 20 0 BCADHO CN1CC[C@H]([NH2+]CCOCCO)[C@@H]2CCC[C@H]21 ZINC000368609473 173153578 /nfs/dbraw/zinc/15/35/78/173153578.db2.gz YMXZYHZFCVVZSR-RWMBFGLXSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@@H+]1CC[C@H](NCCOCCO)[C@@H]2CCC[C@H]21 ZINC000368609473 173153579 /nfs/dbraw/zinc/15/35/79/173153579.db2.gz YMXZYHZFCVVZSR-RWMBFGLXSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@H+]1CC[C@H](NCCOCCO)[C@@H]2CCC[C@H]21 ZINC000368609473 173153580 /nfs/dbraw/zinc/15/35/80/173153580.db2.gz YMXZYHZFCVVZSR-RWMBFGLXSA-N 1 3 242.363 0.458 20 0 BCADHO CN1CC[C@]2(CC[N@H+](CCOCCO)C2)C1 ZINC000368312607 173166562 /nfs/dbraw/zinc/16/65/62/173166562.db2.gz OCJCOOQVELFDJW-LBPRGKRZSA-N 1 3 228.336 0.023 20 0 BCADHO CN1CC[C@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC000368312607 173166564 /nfs/dbraw/zinc/16/65/64/173166564.db2.gz OCJCOOQVELFDJW-LBPRGKRZSA-N 1 3 228.336 0.023 20 0 BCADHO CNC(=[NH2+])N1CC[C@@H](N2CCCCC2)C1 ZINC000062985231 173209634 /nfs/dbraw/zinc/20/96/34/173209634.db2.gz SOVBEQYIPWCMBU-SNVBAGLBSA-N 1 3 210.325 0.701 20 0 BCADHO CNC(=O)C1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000043493537 173223709 /nfs/dbraw/zinc/22/37/09/173223709.db2.gz QRVILWGYILYQJD-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000338160514 173282211 /nfs/dbraw/zinc/28/22/11/173282211.db2.gz SXLGVGHAWPQIKS-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN1CCCC1 ZINC000338160514 173282212 /nfs/dbraw/zinc/28/22/12/173282212.db2.gz SXLGVGHAWPQIKS-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000308845655 173282587 /nfs/dbraw/zinc/28/25/87/173282587.db2.gz AAPGHDNRUNMAEQ-ZJUUUORDSA-N 1 3 215.341 0.441 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)CC(C)(C)N ZINC000309001514 173293547 /nfs/dbraw/zinc/29/35/47/173293547.db2.gz OFHIJOZKSUZNKK-QMMMGPOBSA-N 1 3 201.314 0.038 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)CC(C)(C)N ZINC000309001514 173293548 /nfs/dbraw/zinc/29/35/48/173293548.db2.gz OFHIJOZKSUZNKK-QMMMGPOBSA-N 1 3 201.314 0.038 20 0 BCADHO CNCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357360344 173324907 /nfs/dbraw/zinc/32/49/07/173324907.db2.gz DFSDSCGIGRMHHT-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO C[NH2+]CC(=O)N(CCN(C)C)c1ccccc1 ZINC000166406535 173325313 /nfs/dbraw/zinc/32/53/13/173325313.db2.gz FOFMQTKZHJBCFU-UHFFFAOYSA-N 1 3 235.331 0.801 20 0 BCADHO CNCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000019473197 173329271 /nfs/dbraw/zinc/32/92/71/173329271.db2.gz WGDJSJBYOGKYPK-UHFFFAOYSA-N 1 3 215.341 0.441 20 0 BCADHO CNCC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000237234483 173330780 /nfs/dbraw/zinc/33/07/80/173330780.db2.gz KKBPYVYASSJUJX-NSHDSACASA-N 1 3 227.352 0.300 20 0 BCADHO CNCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000237234483 173330781 /nfs/dbraw/zinc/33/07/81/173330781.db2.gz KKBPYVYASSJUJX-NSHDSACASA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000237271046 173331976 /nfs/dbraw/zinc/33/19/76/173331976.db2.gz FWIIGOSCXJJUHH-ZDUSSCGKSA-N 1 3 249.358 0.495 20 0 BCADHO CNCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000237274012 173333064 /nfs/dbraw/zinc/33/30/64/173333064.db2.gz QRTMGVRYNABFQP-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000043600203 173341017 /nfs/dbraw/zinc/34/10/17/173341017.db2.gz ULSLCTQYZIZSJA-NSHDSACASA-N 1 3 229.368 0.688 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357236260 173341336 /nfs/dbraw/zinc/34/13/36/173341336.db2.gz CLQZAKGSMHKXOP-VHSXEESVSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]CCC(=O)N[C@H](C)CN1CCCCC1 ZINC000043600181 173341458 /nfs/dbraw/zinc/34/14/58/173341458.db2.gz PGOXGEVPHRHANR-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000070189614 173342972 /nfs/dbraw/zinc/34/29/72/173342972.db2.gz XXSNOBHASMPMIR-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000237116981 173343098 /nfs/dbraw/zinc/34/30/98/173343098.db2.gz SUIYMEZWKVNYPX-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO C[NH2+]CCCC(=O)NC1CCN(C)CC1 ZINC000037477693 173343684 /nfs/dbraw/zinc/34/36/84/173343684.db2.gz ZRRIKOUCRYBJIM-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H](C)CN1CCCCC1 ZINC000037610784 173344466 /nfs/dbraw/zinc/34/44/66/173344466.db2.gz JIQYHIQTBLEGBJ-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H](C)N1CCCCC1 ZINC000038029524 173344780 /nfs/dbraw/zinc/34/47/80/173344780.db2.gz PTIHRXJWPXECOF-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000237217297 173345341 /nfs/dbraw/zinc/34/53/41/173345341.db2.gz IQJZOSRFTMQQPE-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCCN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438677 173347379 /nfs/dbraw/zinc/34/73/79/173347379.db2.gz XQRVOPHSFSWGFJ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438677 173347380 /nfs/dbraw/zinc/34/73/80/173347380.db2.gz XQRVOPHSFSWGFJ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000042438677 173347381 /nfs/dbraw/zinc/34/73/81/173347381.db2.gz XQRVOPHSFSWGFJ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H](C)N1CCCCCC1 ZINC000121101515 173348178 /nfs/dbraw/zinc/34/81/78/173348178.db2.gz STUCCSGWLMPHDT-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](N)CC(C)C ZINC000069803124 173351998 /nfs/dbraw/zinc/35/19/98/173351998.db2.gz HTNRHFSSYFLEAU-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCC(C)CC1 ZINC000092135558 173362738 /nfs/dbraw/zinc/36/27/38/173362738.db2.gz GFYWYUFPONOWJC-GFCCVEGCSA-N 1 3 241.379 0.690 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H](N)c1ccccc1 ZINC000237203515 173362850 /nfs/dbraw/zinc/36/28/50/173362850.db2.gz GKWKVGRAWZEHSH-ZYHUDNBSSA-N 1 3 235.331 0.658 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000226399307 173374146 /nfs/dbraw/zinc/37/41/46/173374146.db2.gz OXJOGNMJFLIZEY-VHSXEESVSA-N 1 3 227.352 0.441 20 0 BCADHO COCCOCCN1C[C@H](C[NH3+])C[C@H]1C ZINC000122324463 174354836 /nfs/dbraw/zinc/35/48/36/174354836.db2.gz VAPYMSDQXMMPJF-MNOVXSKESA-N 1 3 216.325 0.319 20 0 BCADHO COCCOCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044694007 174357686 /nfs/dbraw/zinc/35/76/86/174357686.db2.gz HEKWYHOLYDMSOX-YHWZYXNKSA-N 1 3 242.363 0.864 20 0 BCADHO COCCOCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044694007 174357687 /nfs/dbraw/zinc/35/76/87/174357687.db2.gz HEKWYHOLYDMSOX-YHWZYXNKSA-N 1 3 242.363 0.864 20 0 BCADHO COCCOCCN[C@@](C)(C[NH3+])C(C)C ZINC000308979566 174358421 /nfs/dbraw/zinc/35/84/21/174358421.db2.gz RTNONOHGQUCQAZ-NSHDSACASA-N 1 3 218.341 0.612 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1CN(C)C ZINC000061645180 175802668 /nfs/dbraw/zinc/80/26/68/175802668.db2.gz UMFUALGFYCXYLX-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)[N@@H+]1CCC[C@@H](C)C1 ZINC000237401320 176102931 /nfs/dbraw/zinc/10/29/31/176102931.db2.gz SVSRWUUKHTVIFT-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)[N@H+]1CCC[C@@H](C)C1 ZINC000237401320 176102932 /nfs/dbraw/zinc/10/29/32/176102932.db2.gz SVSRWUUKHTVIFT-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCN(CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000230775661 176171146 /nfs/dbraw/zinc/17/11/46/176171146.db2.gz HUYRFCGXIDPIQF-YPMHNXCESA-N 1 3 236.363 0.879 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CCN(C)CC1 ZINC000186847720 176185309 /nfs/dbraw/zinc/18/53/09/176185309.db2.gz FSHQGAKNPAZWMR-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(N)CCCC1 ZINC000186836660 176185336 /nfs/dbraw/zinc/18/53/36/176185336.db2.gz RRSNQJGBDHOSEU-NXEZZACHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](N)C1CCC1 ZINC000332472009 176186407 /nfs/dbraw/zinc/18/64/07/176186407.db2.gz MOTGRQSKZLUEAK-FBIMIBRVSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CN(C(=O)NCCN(C)C2CC2)C[C@@H]1[NH3+] ZINC000331438165 176250725 /nfs/dbraw/zinc/25/07/25/176250725.db2.gz GXIUZIMBLAXANQ-KOLCDFICSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(C)C1CC1 ZINC000362615725 176276037 /nfs/dbraw/zinc/27/60/37/176276037.db2.gz JDIGBEVRYXCMIW-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCN(C)C1CC1 ZINC000362615725 176276038 /nfs/dbraw/zinc/27/60/38/176276038.db2.gz JDIGBEVRYXCMIW-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1CN(CCN2CC[NH2+]CC2)CCCO1 ZINC000061918637 176291243 /nfs/dbraw/zinc/29/12/43/176291243.db2.gz HYURQFOQTBFWNA-GFCCVEGCSA-N 1 3 227.352 0.002 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1cnn(C)c1 ZINC000228659124 176367908 /nfs/dbraw/zinc/36/79/08/176367908.db2.gz KMSWJDVTJPBVCL-PWSUYJOCSA-N 1 3 222.336 0.632 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CC[NH2+]1 ZINC000336550409 176372654 /nfs/dbraw/zinc/37/26/54/176372654.db2.gz HAPCHQDLOZTUQK-MNOVXSKESA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H]1C[C@@H]1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352544924 176391794 /nfs/dbraw/zinc/39/17/94/176391794.db2.gz DTXXQYWTYBHUDE-JHJVBQTASA-N 1 3 223.364 0.622 20 0 BCADHO C[C@H](CNC(=O)CC[NH3+])N1CCCCC1 ZINC000038029455 176672515 /nfs/dbraw/zinc/67/25/15/176672515.db2.gz FTHOVCHTDJAIGE-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)CC[NH3+] ZINC000237509250 177074713 /nfs/dbraw/zinc/07/47/13/177074713.db2.gz BRTFEPKMAKJZLQ-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336685042 177109488 /nfs/dbraw/zinc/10/94/88/177109488.db2.gz KNCMUJQKBCUWMZ-JQWIXIFHSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H]1CCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336685042 177109490 /nfs/dbraw/zinc/10/94/90/177109490.db2.gz KNCMUJQKBCUWMZ-JQWIXIFHSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127108530 177175357 /nfs/dbraw/zinc/17/53/57/177175357.db2.gz JMQVVGKPGUMSQK-WNYYMSAVSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]1CN(C(=O)NCCN(C)C2CC2)C[C@@H]1[NH3+] ZINC000331438176 177220491 /nfs/dbraw/zinc/22/04/91/177220491.db2.gz GXIUZIMBLAXANQ-ONGXEEELSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@H]1COCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000300859990 177294944 /nfs/dbraw/zinc/29/49/44/177294944.db2.gz NKAYJSVEMJZNGO-RYUDHWBXSA-N 1 3 230.352 0.579 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)N(C)CC[NH3+])CN1C1CC1 ZINC000331747660 177328327 /nfs/dbraw/zinc/32/83/27/177328327.db2.gz DVTVZQKHCJHVFT-VHSXEESVSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1C ZINC000132954924 177329653 /nfs/dbraw/zinc/32/96/53/177329653.db2.gz NNQNOGPJOOQIFP-GARJFASQSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1C ZINC000132954924 177329654 /nfs/dbraw/zinc/32/96/54/177329654.db2.gz NNQNOGPJOOQIFP-GARJFASQSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1C ZINC000132917577 177329882 /nfs/dbraw/zinc/32/98/82/177329882.db2.gz TVIMEBFVRVYYOQ-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@@H+]1C ZINC000132941328 177366830 /nfs/dbraw/zinc/36/68/30/177366830.db2.gz HTUDXGYCEJBVNO-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[N@H+]1C ZINC000132941328 177366832 /nfs/dbraw/zinc/36/68/32/177366832.db2.gz HTUDXGYCEJBVNO-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCC2)CC[NH2+]1 ZINC000336229367 177367318 /nfs/dbraw/zinc/36/73/18/177367318.db2.gz BXFYXWKSXWIMEO-VHSXEESVSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCNCC1 ZINC000333735179 177394965 /nfs/dbraw/zinc/39/49/65/177394965.db2.gz WUWOQYUOIDOJMP-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO C[C@H]1NCCN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H]1C ZINC000333706999 177396321 /nfs/dbraw/zinc/39/63/21/177396321.db2.gz RQIHRPROKAAMJF-GMTAPVOTSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCO ZINC000383598913 487644793 /nfs/dbraw/zinc/64/47/93/487644793.db2.gz PQUZFQVBQWRNLX-STQMWFEESA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H]1CCO ZINC000383598913 487644796 /nfs/dbraw/zinc/64/47/96/487644796.db2.gz PQUZFQVBQWRNLX-STQMWFEESA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCO ZINC000383598910 487644854 /nfs/dbraw/zinc/64/48/54/487644854.db2.gz PQUZFQVBQWRNLX-CHWSQXEVSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCO ZINC000383598910 487644859 /nfs/dbraw/zinc/64/48/59/487644859.db2.gz PQUZFQVBQWRNLX-CHWSQXEVSA-N 1 3 244.379 0.534 20 0 BCADHO CN(C)C/C=C/C(=O)NC1(C[NH+](C)C)CCC1 ZINC000492599004 226025126 /nfs/dbraw/zinc/02/51/26/226025126.db2.gz WPFIKCFJMJRLOQ-FNORWQNLSA-N 1 3 239.363 0.705 20 0 BCADHO COCC(C)(C)C[NH2+]CC1(O)CCN(C)CC1 ZINC000494098369 226260710 /nfs/dbraw/zinc/26/07/10/226260710.db2.gz MZQLFTDFODKMNX-UHFFFAOYSA-N 1 3 244.379 0.705 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CCCN2CCOC2=O)C1 ZINC000496649523 226310675 /nfs/dbraw/zinc/31/06/75/226310675.db2.gz KQDZVOVHEXJEOD-QWRGUYRKSA-N 1 3 241.335 0.688 20 0 BCADHO CC1CCN(CCNC(=O)CCCC[NH3+])CC1 ZINC000070203119 487662654 /nfs/dbraw/zinc/66/26/54/487662654.db2.gz LAPWPWSMDYMAFS-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CC12CC2 ZINC000424376845 229160397 /nfs/dbraw/zinc/16/03/97/229160397.db2.gz PZDGPJYYCRYADI-XWLWVQCSSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424376845 229160402 /nfs/dbraw/zinc/16/04/02/229160402.db2.gz PZDGPJYYCRYADI-XWLWVQCSSA-N 1 3 210.321 0.881 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@@H]2CCC(=O)N2)CC1 ZINC000079946486 487692130 /nfs/dbraw/zinc/69/21/30/487692130.db2.gz VALLXJSYSDAFSW-LBPRGKRZSA-N 1 3 239.363 0.727 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000399079621 262775455 /nfs/dbraw/zinc/77/54/55/262775455.db2.gz RGBJSPIUJZSCNR-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000653142289 487702240 /nfs/dbraw/zinc/70/22/40/487702240.db2.gz GGDGNWJETJHKHL-XWLWVQCSSA-N 1 3 243.326 0.320 20 0 BCADHO NC(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000353425859 487703782 /nfs/dbraw/zinc/70/37/82/487703782.db2.gz IAOBQRGMFOUICF-DSYKOEDSSA-N 1 3 239.241 0.262 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCN1 ZINC000669403343 487705099 /nfs/dbraw/zinc/70/50/99/487705099.db2.gz WADWGACERJHYNI-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCN1 ZINC000669403343 487705104 /nfs/dbraw/zinc/70/51/04/487705104.db2.gz WADWGACERJHYNI-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403341 487705486 /nfs/dbraw/zinc/70/54/86/487705486.db2.gz VZEUACGBKRUULL-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N[C@H]1CCCN(C)C1 ZINC000669403275 487705636 /nfs/dbraw/zinc/70/56/36/487705636.db2.gz QVVHTMINWHQHJV-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000669403129 487706010 /nfs/dbraw/zinc/70/60/10/487706010.db2.gz LEKQRVAKGIUZEN-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000309211008 487707147 /nfs/dbraw/zinc/70/71/47/487707147.db2.gz DNHJEJMUTVSYFS-UTUOFQBUSA-N 1 3 230.352 0.143 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000309211008 487707153 /nfs/dbraw/zinc/70/71/53/487707153.db2.gz DNHJEJMUTVSYFS-UTUOFQBUSA-N 1 3 230.352 0.143 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000249979920 487725684 /nfs/dbraw/zinc/72/56/84/487725684.db2.gz QZJJEUNFTYMBBX-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO CCN(CCO)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000681108860 487728124 /nfs/dbraw/zinc/72/81/24/487728124.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000681108860 487728131 /nfs/dbraw/zinc/72/81/31/487728131.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000681108860 487728135 /nfs/dbraw/zinc/72/81/35/487728135.db2.gz NHUZSIYEBQYOEM-CHWSQXEVSA-N 1 3 243.395 0.373 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240996 487728424 /nfs/dbraw/zinc/72/84/24/487728424.db2.gz LFCLZMVLVCROBQ-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250240996 487728429 /nfs/dbraw/zinc/72/84/29/487728429.db2.gz LFCLZMVLVCROBQ-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000226393987 487729033 /nfs/dbraw/zinc/72/90/33/487729033.db2.gz LULKURQZZRDSQR-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC(C)(C)[NH3+])C1 ZINC000082772222 487730712 /nfs/dbraw/zinc/73/07/12/487730712.db2.gz UNNRPXKBNHUFIZ-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CNC(=O)C[C@H](C)[NH3+])N(C)C1CC1 ZINC000226399503 487734329 /nfs/dbraw/zinc/73/43/29/487734329.db2.gz JMOQNJYSCPWOTJ-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC[C@@H](C)O)C1 ZINC000076454663 487741415 /nfs/dbraw/zinc/74/14/15/487741415.db2.gz AHRNZIAWHHVKHU-NEPJUHHUSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC[C@@H](C)O)C1 ZINC000076454663 487741419 /nfs/dbraw/zinc/74/14/19/487741419.db2.gz AHRNZIAWHHVKHU-NEPJUHHUSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)CN1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076454663 487741423 /nfs/dbraw/zinc/74/14/23/487741423.db2.gz AHRNZIAWHHVKHU-NEPJUHHUSA-N 1 3 214.353 0.935 20 0 BCADHO COC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000226438105 487745350 /nfs/dbraw/zinc/74/53/50/487745350.db2.gz UDSSFFXUTSTPSU-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921251 487753420 /nfs/dbraw/zinc/75/34/20/487753420.db2.gz ZQPOLFCTKLKHJP-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000082921250 487753475 /nfs/dbraw/zinc/75/34/75/487753475.db2.gz ZQPOLFCTKLKHJP-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CC(=O)N1CCC(N[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000401724163 487763329 /nfs/dbraw/zinc/76/33/29/487763329.db2.gz KUGDDPOLOYFDLV-GXFFZTMASA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178575753 487776042 /nfs/dbraw/zinc/77/60/42/487776042.db2.gz ZVVILCXIDXLPSM-BBBLOLIVSA-N 1 3 213.325 0.167 20 0 BCADHO CC(=O)NCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000394821980 487809170 /nfs/dbraw/zinc/80/91/70/487809170.db2.gz UOLDORFCXIABNG-WDEREUQCSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H]1C[C@@H](NC[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106757 487814365 /nfs/dbraw/zinc/81/43/65/487814365.db2.gz ZHYBRKKYFWNATC-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1C[C@@H](NC[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106757 487814371 /nfs/dbraw/zinc/81/43/71/487814371.db2.gz ZHYBRKKYFWNATC-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CN(C[C@H]1CCC[N@@H+]1C)C[C@H]1CNCCO1 ZINC000252581760 487827205 /nfs/dbraw/zinc/82/72/05/487827205.db2.gz UANDYZQIPHZHPZ-VXGBXAGGSA-N 1 3 227.352 0.001 20 0 BCADHO CN(C[C@H]1CCC[N@H+]1C)C[C@H]1CNCCO1 ZINC000252581760 487827207 /nfs/dbraw/zinc/82/72/07/487827207.db2.gz UANDYZQIPHZHPZ-VXGBXAGGSA-N 1 3 227.352 0.001 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCN(C)C1 ZINC000252850699 487835571 /nfs/dbraw/zinc/83/55/71/487835571.db2.gz HRQKSDOHEWQJQU-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000494699593 528498780 /nfs/dbraw/zinc/49/87/80/528498780.db2.gz QJVWSSFZILVPQR-ADEWGFFLSA-N 1 3 239.363 0.569 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000494692930 528499153 /nfs/dbraw/zinc/49/91/53/528499153.db2.gz WGDRWWUYLKZHQC-CKYFFXLPSA-N 1 3 239.363 0.711 20 0 BCADHO CCN(CC(=O)N(C)C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000666620269 487846284 /nfs/dbraw/zinc/84/62/84/487846284.db2.gz ZSGKUCXYTFNMJE-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373044007 487856523 /nfs/dbraw/zinc/85/65/23/487856523.db2.gz RWVOHIQVKYIYEI-SRVKXCTJSA-N 1 3 239.363 0.570 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655514496 487887286 /nfs/dbraw/zinc/88/72/86/487887286.db2.gz RSPYZXOQZFAGGW-ZETCQYMHSA-N 1 3 241.257 0.334 20 0 BCADHO CCN(CCNC(=O)NC[C@@H](C)[NH3+])C1CC1 ZINC000669444473 487888973 /nfs/dbraw/zinc/88/89/73/487888973.db2.gz QXPXVUAOXDWXAK-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO NC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCCC1 ZINC000178408494 487899709 /nfs/dbraw/zinc/89/97/09/487899709.db2.gz HCBXLINGSIYVSN-JTQLQIEISA-N 1 3 225.336 0.374 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000157727302 487918649 /nfs/dbraw/zinc/91/86/49/487918649.db2.gz IEVOZWRWVGXTGM-QWRGUYRKSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000157727302 487918654 /nfs/dbraw/zinc/91/86/54/487918654.db2.gz IEVOZWRWVGXTGM-QWRGUYRKSA-N 1 3 237.347 0.611 20 0 BCADHO CN(C)C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000653493388 487926716 /nfs/dbraw/zinc/92/67/16/487926716.db2.gz UQJCUDPLWMNGFI-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+]CCOCCN1CC[C@@]2(CC2(F)F)C1 ZINC000652364467 487934107 /nfs/dbraw/zinc/93/41/07/487934107.db2.gz RMSZYVJGZZYIJG-SECBINFHSA-N 1 3 220.263 0.693 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000669474603 487937261 /nfs/dbraw/zinc/93/72/61/487937261.db2.gz ICEMYSMQWJPPKY-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH3+])N1CCCCC1 ZINC000194896551 487949595 /nfs/dbraw/zinc/94/95/95/487949595.db2.gz FDNZILFXXDJGLN-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH3+])N1CCCCC1 ZINC000194896536 487949525 /nfs/dbraw/zinc/94/95/25/487949525.db2.gz FDNZILFXXDJGLN-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CN1CCC(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000569579690 322971297 /nfs/dbraw/zinc/97/12/97/322971297.db2.gz TUXRWHRDBNRNNX-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000561182738 322996609 /nfs/dbraw/zinc/99/66/09/322996609.db2.gz OOXYMJABYVCVGS-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1C[C@H](C)N(CCn2cncn2)C[C@@H]1C[NH3+] ZINC000397479754 323017759 /nfs/dbraw/zinc/01/77/59/323017759.db2.gz LLDICWZQRXVMEI-WOPDTQHZSA-N 1 3 237.351 0.583 20 0 BCADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000397489216 323021267 /nfs/dbraw/zinc/02/12/67/323021267.db2.gz YFHPTMYRXFFLMR-UTUOFQBUSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)N(C)C)C[C@@H]1CN ZINC000397489216 323021268 /nfs/dbraw/zinc/02/12/68/323021268.db2.gz YFHPTMYRXFFLMR-UTUOFQBUSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000569676910 323036575 /nfs/dbraw/zinc/03/65/75/323036575.db2.gz LOWUMPTZVVQZEC-NTZNESFSSA-N 1 3 241.379 0.866 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000322804342 323036724 /nfs/dbraw/zinc/03/67/24/323036724.db2.gz RINFOGGGTRFZTP-AEJSXWLSSA-N 1 3 213.325 0.371 20 0 BCADHO COCCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397252277 323038544 /nfs/dbraw/zinc/03/85/44/323038544.db2.gz DAGZRZMUYRSAAU-AXFHLTTASA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397252277 323038545 /nfs/dbraw/zinc/03/85/45/323038545.db2.gz DAGZRZMUYRSAAU-AXFHLTTASA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000397252277 323038546 /nfs/dbraw/zinc/03/85/46/323038546.db2.gz DAGZRZMUYRSAAU-AXFHLTTASA-N 1 3 200.326 0.938 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)C2(N)CCC2)CC1 ZINC000569808642 323041014 /nfs/dbraw/zinc/04/10/14/323041014.db2.gz BETFXWDWSKGVBB-SECBINFHSA-N 1 3 225.336 0.454 20 0 BCADHO CC[NH2+]CCCNC(=O)C1CCN(C)CC1 ZINC000569925868 323044753 /nfs/dbraw/zinc/04/47/53/323044753.db2.gz BPVZGODGLVWLPG-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO C[C@@H]1CN(CCN[C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046107 323048382 /nfs/dbraw/zinc/04/83/82/323048382.db2.gz QTNKTEZTUJOPAG-YPMHNXCESA-N 1 3 241.379 0.424 20 0 BCADHO C[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000570082163 323049366 /nfs/dbraw/zinc/04/93/66/323049366.db2.gz SAEGKPWNZXQTDF-WCFLWFBJSA-N 1 3 242.363 0.335 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000572606019 323050398 /nfs/dbraw/zinc/05/03/98/323050398.db2.gz BOBZJKLQDLNNEF-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000572606019 323050399 /nfs/dbraw/zinc/05/03/99/323050399.db2.gz BOBZJKLQDLNNEF-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1 ZINC000570397491 323058386 /nfs/dbraw/zinc/05/83/86/323058386.db2.gz NAHQOLOAHURVBK-NWDGAFQWSA-N 1 3 249.314 0.067 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570448567 323059769 /nfs/dbraw/zinc/05/97/69/323059769.db2.gz JSLZGHUBMYTUJT-GARJFASQSA-N 1 3 237.347 0.195 20 0 BCADHO CN[C@@H](C)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000570816517 323071694 /nfs/dbraw/zinc/07/16/94/323071694.db2.gz QCLIOJHQYNZFLX-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO CC(C)[NH2+]CCCN[C@H]1CN(C)C[C@@H]1C ZINC000570918475 323074319 /nfs/dbraw/zinc/07/43/19/323074319.db2.gz PGJTZEDQVLDDFD-RYUDHWBXSA-N 1 3 213.369 0.914 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000567814857 323087442 /nfs/dbraw/zinc/08/74/42/323087442.db2.gz GLEJUOQFWKUOGI-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO NC1(C(=O)Nc2ccc(OCC[NH3+])cc2)CCC1 ZINC000567814888 323087444 /nfs/dbraw/zinc/08/74/44/323087444.db2.gz IODIYCCECXDXPM-UHFFFAOYSA-N 1 3 249.314 0.844 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000040487105 323089886 /nfs/dbraw/zinc/08/98/86/323089886.db2.gz VCLGQFZCLYCOTD-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000040487105 323089887 /nfs/dbraw/zinc/08/98/87/323089887.db2.gz VCLGQFZCLYCOTD-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000567838985 323091449 /nfs/dbraw/zinc/09/14/49/323091449.db2.gz DROVDQCEAVFXOM-LDYMZIIASA-N 1 3 239.294 0.331 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)C1CC1 ZINC000563097336 323092297 /nfs/dbraw/zinc/09/22/97/323092297.db2.gz UFIWEAWNFLSTDF-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000563119131 323094017 /nfs/dbraw/zinc/09/40/17/323094017.db2.gz LEXPSAZYQZWAIX-AAEUAGOBSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCOC[C@@H]1CCCO1 ZINC000563152450 323095690 /nfs/dbraw/zinc/09/56/90/323095690.db2.gz ZUGARRMYLRFVDK-UPJWGTAASA-N 1 3 242.363 0.851 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000563164369 323099197 /nfs/dbraw/zinc/09/91/97/323099197.db2.gz MBIIKHHPTVPPQB-NQBHXWOUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[C@H](C)N(C(=O)CNC2CC2)C[C@@H]1C[NH3+] ZINC000571037698 323104460 /nfs/dbraw/zinc/10/44/60/323104460.db2.gz IBZIGLVKOBLUHH-VWYCJHECSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)NCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563451617 323126519 /nfs/dbraw/zinc/12/65/19/323126519.db2.gz NTWWFCQHGWLFSY-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)NCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563452215 323126587 /nfs/dbraw/zinc/12/65/87/323126587.db2.gz XBHFLKYFSYANNU-LLVKDONJSA-N 1 3 227.352 0.490 20 0 BCADHO N[C@H]1C[C@@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635877 323132711 /nfs/dbraw/zinc/13/27/11/323132711.db2.gz MCLLDIDUOPKOKU-NEPJUHHUSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@H]1C[C@@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635877 323132712 /nfs/dbraw/zinc/13/27/12/323132712.db2.gz MCLLDIDUOPKOKU-NEPJUHHUSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571178891 323137165 /nfs/dbraw/zinc/13/71/65/323137165.db2.gz SLZLRSBBKHFGGD-GMTAPVOTSA-N 1 3 223.324 0.526 20 0 BCADHO [NH3+][C@H]1CCC[C@H](CNC(=O)CNC2CC2)C1 ZINC000571432005 323144680 /nfs/dbraw/zinc/14/46/80/323144680.db2.gz AHHOAZOIXUCMHU-UWVGGRQHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000161042675 323144814 /nfs/dbraw/zinc/14/48/14/323144814.db2.gz XEUJJHUGVQHZPJ-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@H](C)N1CCCC1 ZINC000161070934 323145735 /nfs/dbraw/zinc/14/57/35/323145735.db2.gz CKFNOXUYXZICOX-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N1CCCC1 ZINC000161095965 323146312 /nfs/dbraw/zinc/14/63/12/323146312.db2.gz HHHXWCPKIHXIST-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000571560559 323147879 /nfs/dbraw/zinc/14/78/79/323147879.db2.gz NWIARLIWAIJXQA-SFYZADRCSA-N 1 3 235.278 0.179 20 0 BCADHO CNCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000571558507 323147957 /nfs/dbraw/zinc/14/79/57/323147957.db2.gz XXOIEZQPEXHEOZ-SNVBAGLBSA-N 1 3 227.352 0.395 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](N)CC(F)F)C1 ZINC000571560561 323147959 /nfs/dbraw/zinc/14/79/59/323147959.db2.gz NWIARLIWAIJXQA-YUMQZZPRSA-N 1 3 235.278 0.179 20 0 BCADHO CN1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000572856067 323149304 /nfs/dbraw/zinc/14/93/04/323149304.db2.gz WPWLXGMPIQJMSR-AXFHLTTASA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000040924407 323158288 /nfs/dbraw/zinc/15/82/88/323158288.db2.gz QQCBJPWPYDCACE-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000563716583 323175358 /nfs/dbraw/zinc/17/53/58/323175358.db2.gz YHALTMQKZZGODP-DTWKUNHWSA-N 1 3 249.305 0.617 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)CC[NH3+] ZINC000309020763 323190326 /nfs/dbraw/zinc/19/03/26/323190326.db2.gz WUBGLXCEDPOEAA-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H](CNC(=O)C1(C)C[NH2+]C1)N1CCCC1 ZINC000399232523 323200977 /nfs/dbraw/zinc/20/09/77/323200977.db2.gz GJZDPSPBYKBBSJ-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)(C)[C@@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC000324590351 323241893 /nfs/dbraw/zinc/24/18/93/323241893.db2.gz DMLXGWLJXOTPEJ-MNOVXSKESA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCNC1 ZINC000324590351 323241899 /nfs/dbraw/zinc/24/18/99/323241899.db2.gz DMLXGWLJXOTPEJ-MNOVXSKESA-N 1 3 214.353 0.983 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC1CC1 ZINC000563945650 323330206 /nfs/dbraw/zinc/33/02/06/323330206.db2.gz CBHOVTLIIUVOLS-KOLCDFICSA-N 1 3 225.336 0.467 20 0 BCADHO COCC[C@H](COC)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000309346268 323345314 /nfs/dbraw/zinc/34/53/14/323345314.db2.gz MGWHAXDDANLPHV-IJLUTSLNSA-N 1 3 230.352 0.897 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000571683211 323346604 /nfs/dbraw/zinc/34/66/04/323346604.db2.gz GCWIPNJUJHAURL-JOYOIKCWSA-N 1 3 237.347 0.480 20 0 BCADHO CC[C@@H](N)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000309401559 323380686 /nfs/dbraw/zinc/38/06/86/323380686.db2.gz HKYJNQMILAJGFH-KOLCDFICSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000041680161 487959297 /nfs/dbraw/zinc/95/92/97/487959297.db2.gz QEIOTPZNIZKVBS-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CN)C1 ZINC000083889430 487959860 /nfs/dbraw/zinc/95/98/60/487959860.db2.gz OXBNGOAVAARVKY-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CN)C1 ZINC000083889430 487959863 /nfs/dbraw/zinc/95/98/63/487959863.db2.gz OXBNGOAVAARVKY-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000122178586 324032732 /nfs/dbraw/zinc/03/27/32/324032732.db2.gz BEUTTZWZOVQVHK-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO c1cc2c(cc1N[C@@H]1CC[NH2+]C1)OCCNC2 ZINC000530246497 324557146 /nfs/dbraw/zinc/55/71/46/324557146.db2.gz IEIJBQYXLWFDGX-GFCCVEGCSA-N 1 3 233.315 0.942 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000083913558 487966390 /nfs/dbraw/zinc/96/63/90/487966390.db2.gz PONUEABQBSHYSK-SECBINFHSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)N)C1 ZINC000083913558 487966394 /nfs/dbraw/zinc/96/63/94/487966394.db2.gz PONUEABQBSHYSK-SECBINFHSA-N 1 3 227.352 0.713 20 0 BCADHO CCCN(C(=O)[C@H](N)CC)C1CC[NH2+]CC1 ZINC000130251586 325030154 /nfs/dbraw/zinc/03/01/54/325030154.db2.gz MEDBHDJWBIMFDT-LLVKDONJSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000131870282 325188265 /nfs/dbraw/zinc/18/82/65/325188265.db2.gz JTSWTDYVSXZGJI-YPMHNXCESA-N 1 3 249.358 0.528 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000131923925 325191328 /nfs/dbraw/zinc/19/13/28/325191328.db2.gz LNDHMYNZXRPDNJ-MXWKQRLJSA-N 1 3 225.336 0.372 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC1=CC[NH2+]CC1 ZINC000564327918 325383332 /nfs/dbraw/zinc/38/33/32/325383332.db2.gz FWYVWMBUKNMYEY-GFCCVEGCSA-N 1 3 225.336 0.540 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637247 487969926 /nfs/dbraw/zinc/96/99/26/487969926.db2.gz RNIOBQQSIHGYID-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637247 487969929 /nfs/dbraw/zinc/96/99/29/487969929.db2.gz RNIOBQQSIHGYID-IJLUTSLNSA-N 1 3 212.337 0.974 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@H](N)C(C)C)C1 ZINC000566203554 326012544 /nfs/dbraw/zinc/01/25/44/326012544.db2.gz MGLYDUHMNSNTNF-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN1CCC(C)(C)C1 ZINC000566453158 326049967 /nfs/dbraw/zinc/04/99/67/326049967.db2.gz DJFYEITWXNNFHG-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)COC[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000566481881 326055690 /nfs/dbraw/zinc/05/56/90/326055690.db2.gz HNGTUVKRBQICQA-FRRDWIJNSA-N 1 3 244.379 0.879 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000566678753 326073668 /nfs/dbraw/zinc/07/36/68/326073668.db2.gz JLLMYQMDIYQLSH-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000566678753 326073670 /nfs/dbraw/zinc/07/36/70/326073670.db2.gz JLLMYQMDIYQLSH-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567108376 326113707 /nfs/dbraw/zinc/11/37/07/326113707.db2.gz KNOGCDBRFPOZQI-VWYCJHECSA-N 1 3 225.336 0.182 20 0 BCADHO NC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000567179798 326130589 /nfs/dbraw/zinc/13/05/89/326130589.db2.gz VDPFFPPPJLMKEF-LNFKQOIKSA-N 1 3 225.336 0.500 20 0 BCADHO CCN1CCN(CCC[NH2+][C@@H](C)COC)CC1 ZINC000154327033 326139828 /nfs/dbraw/zinc/13/98/28/326139828.db2.gz NMWAESOMFDOEQZ-ZDUSSCGKSA-N 1 3 243.395 0.639 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000567275527 326154728 /nfs/dbraw/zinc/15/47/28/326154728.db2.gz PCYMLEPBLIOMRM-CHWFTXMASA-N 1 3 237.347 0.465 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000156171956 326221353 /nfs/dbraw/zinc/22/13/53/326221353.db2.gz COHZOHIZHCXMBH-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000567589742 326224593 /nfs/dbraw/zinc/22/45/93/326224593.db2.gz CEFKUWPQATZCCS-ZJUUUORDSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000567655664 326239584 /nfs/dbraw/zinc/23/95/84/326239584.db2.gz KWOWLNMCJRHNEM-QCNOEVLYSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000567655663 326239831 /nfs/dbraw/zinc/23/98/31/326239831.db2.gz KWOWLNMCJRHNEM-KKOKHZNYSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000567814940 326262008 /nfs/dbraw/zinc/26/20/08/326262008.db2.gz LZOBQBCQXHKYHD-MRVPVSSYSA-N 1 3 223.276 0.310 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCCC[C@H]2O)CCCO1 ZINC000313349206 326263917 /nfs/dbraw/zinc/26/39/17/326263917.db2.gz LLPAAIZVDDVYRB-YNEHKIRRSA-N 1 3 242.363 0.587 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN(C)C)C1CC1 ZINC000567824909 326264444 /nfs/dbraw/zinc/26/44/44/326264444.db2.gz KMZSXLCNDHHTKP-SNVBAGLBSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C[C@H](N)c1ccccc1 ZINC000567834641 326266188 /nfs/dbraw/zinc/26/61/88/326266188.db2.gz QTMFYODHYVFKOO-JQWIXIFHSA-N 1 3 235.331 0.930 20 0 BCADHO [NH3+]CCCN1CCNC[C@H]1c1cccnc1 ZINC000567871041 326273974 /nfs/dbraw/zinc/27/39/74/326273974.db2.gz LDDHFWSDUMWVIJ-LBPRGKRZSA-N 1 3 220.320 0.377 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567925537 326284162 /nfs/dbraw/zinc/28/41/62/326284162.db2.gz OASMBNLCYJVDEP-JXUBOQSCSA-N 1 3 215.341 0.602 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CCCC[NH3+])CCN1C ZINC000157876373 326298943 /nfs/dbraw/zinc/29/89/43/326298943.db2.gz MLPBAVRJPGXXPH-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N[C@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000568103829 326308527 /nfs/dbraw/zinc/30/85/27/326308527.db2.gz MUDINOUBJPWYNG-JTQLQIEISA-N 1 3 241.335 0.064 20 0 BCADHO NC(=O)C1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCCC1 ZINC000568249088 326334624 /nfs/dbraw/zinc/33/46/24/326334624.db2.gz HFRTVWCTQKAJBV-MNOVXSKESA-N 1 3 239.363 0.892 20 0 BCADHO NC(=O)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000568249088 326334625 /nfs/dbraw/zinc/33/46/25/326334625.db2.gz HFRTVWCTQKAJBV-MNOVXSKESA-N 1 3 239.363 0.892 20 0 BCADHO FC(F)[C@@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000568512141 326361296 /nfs/dbraw/zinc/36/12/96/326361296.db2.gz IPWLQEWEWLRMED-QWRGUYRKSA-N 1 3 247.333 0.915 20 0 BCADHO CC(C)NCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000568770227 326376825 /nfs/dbraw/zinc/37/68/25/326376825.db2.gz YIUPNPZDZXVOFC-LLVKDONJSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000568987034 326384952 /nfs/dbraw/zinc/38/49/52/326384952.db2.gz WUWWXALSZZWTSH-BDNRQGISSA-N 1 3 249.305 0.472 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000568987037 326384967 /nfs/dbraw/zinc/38/49/67/326384967.db2.gz WUWWXALSZZWTSH-DQUBFYRCSA-N 1 3 249.305 0.472 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568999323 326386018 /nfs/dbraw/zinc/38/60/18/326386018.db2.gz AWYKALAIPSFFIY-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C12CCCN1CCC2 ZINC000569004615 326386418 /nfs/dbraw/zinc/38/64/18/326386418.db2.gz HZSIJAIVKOWWTD-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000569230407 326395288 /nfs/dbraw/zinc/39/52/88/326395288.db2.gz WNBNJEXCSGXQDN-NOOOWODRSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)CCC[NH3+])N(C)C ZINC000158774949 487975334 /nfs/dbraw/zinc/97/53/34/487975334.db2.gz NDZZJLUYSNFRJF-JTQLQIEISA-N 1 3 215.341 0.380 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446399006 487980061 /nfs/dbraw/zinc/98/00/61/487980061.db2.gz SSOHFEROPGRBEQ-NAKRPEOUSA-N 1 3 227.352 0.746 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446399007 487980079 /nfs/dbraw/zinc/98/00/79/487980079.db2.gz SSOHFEROPGRBEQ-VLEAKVRGSA-N 1 3 227.352 0.746 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000446411171 487980930 /nfs/dbraw/zinc/98/09/30/487980930.db2.gz FKNAKYCCKMAQLH-SCVCMEIPSA-N 1 3 227.352 0.890 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446411170 487980959 /nfs/dbraw/zinc/98/09/59/487980959.db2.gz FKNAKYCCKMAQLH-NHCYSSNCSA-N 1 3 227.352 0.890 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC(C)(C)CO ZINC000643475011 488016134 /nfs/dbraw/zinc/01/61/34/488016134.db2.gz OGUSNISNYOGNDR-GHMZBOCLSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1NCC(C)(C)CO ZINC000643475011 488016136 /nfs/dbraw/zinc/01/61/36/488016136.db2.gz OGUSNISNYOGNDR-GHMZBOCLSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000310499354 488033568 /nfs/dbraw/zinc/03/35/68/488033568.db2.gz HMXQXMLUZWTKMO-XQQFMLRXSA-N 1 3 244.379 0.845 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084382619 488048125 /nfs/dbraw/zinc/04/81/25/488048125.db2.gz FZSMXPNFUIHNHQ-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NCc1nc2c(s1)CNCC2 ZINC000663500027 488049438 /nfs/dbraw/zinc/04/94/38/488049438.db2.gz YDHRHLUIYXKKBA-YUMQZZPRSA-N 1 3 240.376 0.614 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000084419906 488051691 /nfs/dbraw/zinc/05/16/91/488051691.db2.gz OYMCVKWTWLDIBY-RYUDHWBXSA-N 1 3 227.352 0.001 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000669491125 488052366 /nfs/dbraw/zinc/05/23/66/488052366.db2.gz MPZVWGPWMMMPKE-ONGXEEELSA-N 1 3 240.351 0.117 20 0 BCADHO CC1(C)C[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892487 488057297 /nfs/dbraw/zinc/05/72/97/488057297.db2.gz QXSNIULZLOPVJB-OUAUKWLOSA-N 1 3 210.321 0.705 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C1 ZINC000389167115 488080201 /nfs/dbraw/zinc/08/02/01/488080201.db2.gz MVAYYJVBIVHZSE-MXWKQRLJSA-N 1 3 227.352 0.570 20 0 BCADHO COC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000226438112 488085525 /nfs/dbraw/zinc/08/55/25/488085525.db2.gz UDSSFFXUTSTPSU-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236756288 488088153 /nfs/dbraw/zinc/08/81/53/488088153.db2.gz ZIJONGBQZACQHC-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418202274 488095187 /nfs/dbraw/zinc/09/51/87/488095187.db2.gz IUKVZHZPACLANT-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237045228 488102433 /nfs/dbraw/zinc/10/24/33/488102433.db2.gz HLJXHHUUKVYNTP-AXFHLTTASA-N 1 3 227.352 0.618 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000389690328 488105671 /nfs/dbraw/zinc/10/56/71/488105671.db2.gz ZUSIGONXOHUYAW-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000389690327 488105710 /nfs/dbraw/zinc/10/57/10/488105710.db2.gz ZUSIGONXOHUYAW-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510342 488112527 /nfs/dbraw/zinc/11/25/27/488112527.db2.gz LJFOOLMSWJCTDY-ONGXEEELSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@]1(C(=O)NC[C@H](N)c2ccccc2)CCC[NH2+]1 ZINC000669510722 488113448 /nfs/dbraw/zinc/11/34/48/488113448.db2.gz XNFSXEFUJPRAGB-JSGCOSHPSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H](CCCC[NH3+])NCc1cn(C)nn1 ZINC000389831274 488116402 /nfs/dbraw/zinc/11/64/02/488116402.db2.gz GZUVEVHVRNEULY-VIFPVBQESA-N 1 3 211.313 0.422 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N(C)CCC[NH3+])C1 ZINC000669512037 488117109 /nfs/dbraw/zinc/11/71/09/488117109.db2.gz SPAPTGQOMUANKX-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCNCC1(C)C ZINC000669512454 488118944 /nfs/dbraw/zinc/11/89/44/488118944.db2.gz XWFYYBCSGNQKPA-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000669512845 488119667 /nfs/dbraw/zinc/11/96/67/488119667.db2.gz AYGLEKYNXACMLN-JTQLQIEISA-N 1 3 247.342 0.194 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514981 488125204 /nfs/dbraw/zinc/12/52/04/488125204.db2.gz YWYSQFQXPGEJTB-DGCLKSJQSA-N 1 3 241.379 0.960 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669515874 488125806 /nfs/dbraw/zinc/12/58/06/488125806.db2.gz HWLGOJFLKYKOFL-UTUOFQBUSA-N 1 3 237.347 0.339 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669515872 488125822 /nfs/dbraw/zinc/12/58/22/488125822.db2.gz HWLGOJFLKYKOFL-QJPTWQEYSA-N 1 3 237.347 0.339 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000669516190 488126925 /nfs/dbraw/zinc/12/69/25/488126925.db2.gz WVMZAZNGJPUKLO-YFKTTZPYSA-N 1 3 241.379 0.946 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](C)CO)C1 ZINC000121144594 490076941 /nfs/dbraw/zinc/07/69/41/490076941.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 1 3 214.353 0.888 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C)CO)C1 ZINC000121144594 490076945 /nfs/dbraw/zinc/07/69/45/490076945.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](C)CO)C1 ZINC000121144594 490076947 /nfs/dbraw/zinc/07/69/47/490076947.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](C)CO)C1 ZINC000121144594 490076954 /nfs/dbraw/zinc/07/69/54/490076954.db2.gz BPNXUTKZGRIRGC-NEPJUHHUSA-N 1 3 214.353 0.888 20 0 BCADHO COCCN(C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000070088416 487547818 /nfs/dbraw/zinc/54/78/18/487547818.db2.gz PFCCUUNOHOXCCC-UHFFFAOYSA-N 1 3 245.367 0.198 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCC[C@@H]1CN(C)C ZINC000061645169 487477066 /nfs/dbraw/zinc/47/70/66/487477066.db2.gz QLIZCAIAOHDDQW-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CCc1cc(N2CCN3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000405258984 487479021 /nfs/dbraw/zinc/47/90/21/487479021.db2.gz HYYYOGRFDXTWHQ-UONOGXRCSA-N 1 3 247.342 0.899 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+]1C)C[C@@H]1CNCCO1 ZINC000086188770 487489115 /nfs/dbraw/zinc/48/91/15/487489115.db2.gz UANDYZQIPHZHPZ-RYUDHWBXSA-N 1 3 227.352 0.001 20 0 BCADHO CN(C[C@@H]1CCC[N@H+]1C)C[C@@H]1CNCCO1 ZINC000086188770 487489119 /nfs/dbraw/zinc/48/91/19/487489119.db2.gz UANDYZQIPHZHPZ-RYUDHWBXSA-N 1 3 227.352 0.001 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCCC1 ZINC000086270987 487494256 /nfs/dbraw/zinc/49/42/56/487494256.db2.gz LIJDGOCQJVOQLJ-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CCOC1CCN(CCOCC[NH3+])CC1 ZINC000086435457 487506706 /nfs/dbraw/zinc/50/67/06/487506706.db2.gz VWZQGOXHQLFJQC-UHFFFAOYSA-N 1 3 216.325 0.463 20 0 BCADHO COC[C@H](CN1CC[C@H]([NH3+])C[C@@H]1C)OC ZINC000300366935 487510923 /nfs/dbraw/zinc/51/09/23/487510923.db2.gz HNJBGWCCWDETKE-DCAQKATOSA-N 1 3 216.325 0.459 20 0 BCADHO COC[C@H](CN1CC[C@H]([NH3+])[C@@H](C)C1)OC ZINC000300375190 487511983 /nfs/dbraw/zinc/51/19/83/487511983.db2.gz PHBZDRPOYORTHL-DCAQKATOSA-N 1 3 216.325 0.317 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000381493708 487509492 /nfs/dbraw/zinc/50/94/92/487509492.db2.gz ZIJONGBQZACQHC-VHSXEESVSA-N 1 3 213.325 0.228 20 0 BCADHO NC1(C(=O)NCC[NH2+]C2CC2)CCCC1 ZINC000237792215 487516063 /nfs/dbraw/zinc/51/60/63/487516063.db2.gz ATLQBCOLRUPOSB-UHFFFAOYSA-N 1 3 211.309 0.126 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094293473 487523905 /nfs/dbraw/zinc/52/39/05/487523905.db2.gz HVUUZCLZIJYVKK-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000669520935 488151506 /nfs/dbraw/zinc/15/15/06/488151506.db2.gz DOKJUQNLMVHZEX-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCN(CC[C@@H]2CC[NH2+]C2)CCC1=O ZINC000257792349 488089259 /nfs/dbraw/zinc/08/92/59/488089259.db2.gz QGJQBMGYGQEGKK-NSHDSACASA-N 1 3 225.336 0.150 20 0 BCADHO C[C@@]1(C(=O)N2CCNC(C)(C)C2)CCC[NH2+]1 ZINC000669520986 488149444 /nfs/dbraw/zinc/14/94/44/488149444.db2.gz QJKCVNRAVPQOKG-LBPRGKRZSA-N 1 3 225.336 0.339 20 0 BCADHO CCn1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000404432553 488159606 /nfs/dbraw/zinc/15/96/06/488159606.db2.gz AAEJBTZMYGISTJ-IJLUTSLNSA-N 1 3 249.362 0.776 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085356977 488162982 /nfs/dbraw/zinc/16/29/82/488162982.db2.gz HGZJDUZSGMQYCK-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000669524651 488164491 /nfs/dbraw/zinc/16/44/91/488164491.db2.gz NSVFLLLKXVILCQ-GUBZILKMSA-N 1 3 240.351 0.258 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000669524652 488164577 /nfs/dbraw/zinc/16/45/77/488164577.db2.gz NSVFLLLKXVILCQ-IVZWLZJFSA-N 1 3 240.351 0.258 20 0 BCADHO CN1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000380124612 488175456 /nfs/dbraw/zinc/17/54/56/488175456.db2.gz VHJKRDJWJAFRRL-OPRDCNLKSA-N 1 3 211.309 0.077 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)CCC[NH3+] ZINC000380157319 488175507 /nfs/dbraw/zinc/17/55/07/488175507.db2.gz ZMBGHLICWYIGRC-JTQLQIEISA-N 1 3 201.314 0.311 20 0 BCADHO CC(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322632125 488193517 /nfs/dbraw/zinc/19/35/17/488193517.db2.gz VWXINFSBYUDHLV-YATPEIPISA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322632125 488193520 /nfs/dbraw/zinc/19/35/20/488193520.db2.gz VWXINFSBYUDHLV-YATPEIPISA-N 1 3 239.363 0.711 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000399089761 488228025 /nfs/dbraw/zinc/22/80/25/488228025.db2.gz WAKFPZNNVJBETD-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000399089761 488228028 /nfs/dbraw/zinc/22/80/28/488228028.db2.gz WAKFPZNNVJBETD-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662395896 490065150 /nfs/dbraw/zinc/06/51/50/490065150.db2.gz LMLVTXSKSZSVLW-LLVKDONJSA-N 1 3 245.326 0.724 20 0 BCADHO CN(C(=O)c1cccc2c1CNC2)C1CC([NH3+])C1 ZINC000662567316 490095438 /nfs/dbraw/zinc/09/54/38/490095438.db2.gz UNJSPOUFUYUUKV-UHFFFAOYSA-N 1 3 245.326 0.852 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000382925349 490111317 /nfs/dbraw/zinc/11/13/17/490111317.db2.gz DFWFGVXOGRFYDN-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000382925349 490111325 /nfs/dbraw/zinc/11/13/25/490111325.db2.gz DFWFGVXOGRFYDN-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000129086411 490600232 /nfs/dbraw/zinc/60/02/32/490600232.db2.gz CFWLOFHQSLGMMN-IVZWLZJFSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659305191 491078030 /nfs/dbraw/zinc/07/80/30/491078030.db2.gz FMTZSGZVUDLZLT-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC ZINC000379459445 491089112 /nfs/dbraw/zinc/08/91/12/491089112.db2.gz QUARWZKXZPLYBH-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H](CO)C[NH+]1CCC(N(C)C)CC1 ZINC000120620264 491099490 /nfs/dbraw/zinc/09/94/90/491099490.db2.gz KGFOALVOEXZEGV-SNVBAGLBSA-N 1 3 200.326 0.641 20 0 BCADHO CC/C=C/C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000384730100 491125183 /nfs/dbraw/zinc/12/51/83/491125183.db2.gz AZPCGOIUKXEILD-AAOUONPWSA-N 1 3 212.337 0.999 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653215031 491128381 /nfs/dbraw/zinc/12/83/81/491128381.db2.gz MFSDBVRXVNVGDW-UWVGGRQHSA-N 1 3 227.352 0.605 20 0 BCADHO C([C@H]1CNCCO1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000216597970 491128622 /nfs/dbraw/zinc/12/86/22/491128622.db2.gz FNKCZKJFFWPQGX-QWHCGFSZSA-N 1 3 239.363 0.145 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CCOCCN(C)C)CO1 ZINC000401847772 491129116 /nfs/dbraw/zinc/12/91/16/491129116.db2.gz VDZCQVVTUKCUGU-GHMZBOCLSA-N 1 3 216.325 0.332 20 0 BCADHO CCN(CC)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000348074750 535488831 /nfs/dbraw/zinc/48/88/31/535488831.db2.gz MLSOOFMUGSSDHQ-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO C[C@H](NCCN1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400674414 533856755 /nfs/dbraw/zinc/85/67/55/533856755.db2.gz VGOVPHBXTGKIBL-RYUDHWBXSA-N 1 3 211.353 0.812 20 0 BCADHO COC(=O)N1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1 ZINC000496652348 533944922 /nfs/dbraw/zinc/94/49/22/533944922.db2.gz WIQNFWARBVNZPE-UWVGGRQHSA-N 1 3 243.351 0.933 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494688342 528089337 /nfs/dbraw/zinc/08/93/37/528089337.db2.gz FETBZYAFPHUISW-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000494675837 528499777 /nfs/dbraw/zinc/49/97/77/528499777.db2.gz WODLEYTUKVXNSW-QJPTWQEYSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CCCC[NH3+] ZINC000495167624 529213686 /nfs/dbraw/zinc/21/36/86/529213686.db2.gz MWSUXVFTWSHXQA-HBNTYKKESA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262923496 535001400 /nfs/dbraw/zinc/00/14/00/535001400.db2.gz ZOIWBRLJZLNQRJ-MNOVXSKESA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)(C[NH3+])NC(=O)[C@@H]1CNCc2ccccc21 ZINC000335377277 535070115 /nfs/dbraw/zinc/07/01/15/535070115.db2.gz UETLFSSRNVVDFL-GFCCVEGCSA-N 1 3 247.342 0.727 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)N(C)C ZINC000262543384 535132087 /nfs/dbraw/zinc/13/20/87/535132087.db2.gz XRZPETAEKHHXIS-MNOVXSKESA-N 1 3 227.352 0.380 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH3+])N(C)C ZINC000262543901 535135482 /nfs/dbraw/zinc/13/54/82/535135482.db2.gz YFDFDBCMHPWVHK-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]1CN ZINC000253034157 535158967 /nfs/dbraw/zinc/15/89/67/535158967.db2.gz VGRUQWMWBUBAKY-HBNTYKKESA-N 1 3 200.326 0.720 20 0 BCADHO CC(C)(N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335319394 535194868 /nfs/dbraw/zinc/19/48/68/535194868.db2.gz CFEMFDMBZTXDAT-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805626 535208028 /nfs/dbraw/zinc/20/80/28/535208028.db2.gz ZAMSGQAZDDQKKC-GRYCIOLGSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805626 535208037 /nfs/dbraw/zinc/20/80/37/535208037.db2.gz ZAMSGQAZDDQKKC-GRYCIOLGSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335345223 535296542 /nfs/dbraw/zinc/29/65/42/535296542.db2.gz LVMCMMLRGOUWQJ-WDEREUQCSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000261532843 535316558 /nfs/dbraw/zinc/31/65/58/535316558.db2.gz KJKWWIRYQQTXPE-QMMMGPOBSA-N 1 3 201.314 0.213 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCN1 ZINC000335626775 535344643 /nfs/dbraw/zinc/34/46/43/535344643.db2.gz ISTRKFXXOVYNNB-GXFFZTMASA-N 1 3 237.347 0.196 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178520626 535491867 /nfs/dbraw/zinc/49/18/67/535491867.db2.gz NHDULAVZOPYNHX-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629606 535492114 /nfs/dbraw/zinc/49/21/14/535492114.db2.gz LYLZMXRYBYKTIR-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000335390117 535492204 /nfs/dbraw/zinc/49/22/04/535492204.db2.gz MJGVPGGXKHKRAO-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000178826413 535595659 /nfs/dbraw/zinc/59/56/59/535595659.db2.gz APSLVNLQLQVKIE-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCSCC[NH2+]CC1(O)CCN(C)CC1 ZINC000336767435 535684729 /nfs/dbraw/zinc/68/47/29/535684729.db2.gz SKJMBANZCZVXOK-UHFFFAOYSA-N 1 3 232.393 0.786 20 0 BCADHO CCOC[C@H](C)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000261530173 535689777 /nfs/dbraw/zinc/68/97/77/535689777.db2.gz XPVVRBQCGRBEDU-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO CCOC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000261530173 535689781 /nfs/dbraw/zinc/68/97/81/535689781.db2.gz XPVVRBQCGRBEDU-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351759487 535759725 /nfs/dbraw/zinc/75/97/25/535759725.db2.gz CZDRLDBUXHSZLY-NHCYSSNCSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261579556 535847582 /nfs/dbraw/zinc/84/75/82/535847582.db2.gz MHNNQBSOKFTUEP-UJNFCWOMSA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471697 535950547 /nfs/dbraw/zinc/95/05/47/535950547.db2.gz QNVQYHUHSCOKHP-UWVGGRQHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262626851 535951351 /nfs/dbraw/zinc/95/13/51/535951351.db2.gz LBXFOKWXYSHNGL-USZNOCQGSA-N 1 3 239.363 0.713 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335939361 535958523 /nfs/dbraw/zinc/95/85/23/535958523.db2.gz FLAFIJACXINVNH-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000335939361 535958528 /nfs/dbraw/zinc/95/85/28/535958528.db2.gz FLAFIJACXINVNH-VXGBXAGGSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000335390596 535995606 /nfs/dbraw/zinc/99/56/06/535995606.db2.gz QXZDIYXVEFDTTQ-CYBMUJFWSA-N 1 3 247.342 0.921 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)C1(N)CCC1 ZINC000088050759 536108547 /nfs/dbraw/zinc/10/85/47/536108547.db2.gz OZDCLZKWELBKTK-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000084420066 536138095 /nfs/dbraw/zinc/13/80/95/536138095.db2.gz LPRDYPCPWVKSST-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000261556781 536138329 /nfs/dbraw/zinc/13/83/29/536138329.db2.gz WIDALPIVAJHSKM-ZJUUUORDSA-N 1 3 213.325 0.454 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000261556780 536139384 /nfs/dbraw/zinc/13/93/84/536139384.db2.gz WIDALPIVAJHSKM-UWVGGRQHSA-N 1 3 213.325 0.454 20 0 BCADHO CN1CCCC[C@@H]1CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352020088 536353788 /nfs/dbraw/zinc/35/37/88/536353788.db2.gz GZLCGEHZIFITKI-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO CN1CCCC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000352020088 536353790 /nfs/dbraw/zinc/35/37/90/536353790.db2.gz GZLCGEHZIFITKI-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO CNC(=O)[C@@]1(C)CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262033507 536372631 /nfs/dbraw/zinc/37/26/31/536372631.db2.gz OHVKHFMMAPPJKV-OLZOCXBDSA-N 1 3 239.363 0.444 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336004716 536410777 /nfs/dbraw/zinc/41/07/77/536410777.db2.gz QHOGWFSZBGYATF-NKWVEPMBSA-N 1 3 239.241 0.086 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000086068434 536448096 /nfs/dbraw/zinc/44/80/96/536448096.db2.gz VRFJANZHTJHVPI-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](CN)c1ccccc1 ZINC000289300098 566384080 /nfs/dbraw/zinc/38/40/80/566384080.db2.gz RZEYPEPDJJOOSS-WXHSDQCUSA-N 1 3 247.342 0.677 20 0 BCADHO C[C@@H]1CN(C(=O)NCCC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000892852073 582996844 /nfs/dbraw/zinc/99/68/44/582996844.db2.gz ZXZOPGJKGWMGOF-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO Cc1cc(N)nc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000892954771 583019327 /nfs/dbraw/zinc/01/93/27/583019327.db2.gz BZEYLXWZAHUZNY-NSHDSACASA-N 1 3 239.323 0.092 20 0 BCADHO FC1(F)CCNC[C@@H]1NC[C@@]12C[C@@H]1C[NH2+]C2 ZINC000853246662 588728553 /nfs/dbraw/zinc/72/85/53/588728553.db2.gz PBZWDWBXOOORAN-UTLUCORTSA-N 1 3 231.290 0.183 20 0 BCADHO CCN1CCN(c2cc(C)[nH+]c(N)n2)[C@@H](C)C1 ZINC000804798382 582559253 /nfs/dbraw/zinc/55/92/53/582559253.db2.gz UTYUNFXWWPNYIY-JTQLQIEISA-N 1 3 235.335 0.898 20 0 BCADHO CC[N@@H+]1CCN(c2cc(C)nc(N)n2)[C@@H](C)C1 ZINC000804798382 582559255 /nfs/dbraw/zinc/55/92/55/582559255.db2.gz UTYUNFXWWPNYIY-JTQLQIEISA-N 1 3 235.335 0.898 20 0 BCADHO CC[N@H+]1CCN(c2cc(C)nc(N)n2)[C@@H](C)C1 ZINC000804798382 582559256 /nfs/dbraw/zinc/55/92/56/582559256.db2.gz UTYUNFXWWPNYIY-JTQLQIEISA-N 1 3 235.335 0.898 20 0 BCADHO OCc1cnccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891781232 582720360 /nfs/dbraw/zinc/72/03/60/582720360.db2.gz HGWZXMVGJGQOJU-NSHDSACASA-N 1 3 247.342 0.892 20 0 BCADHO OCc1cnccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000891781232 582720363 /nfs/dbraw/zinc/72/03/63/582720363.db2.gz HGWZXMVGJGQOJU-NSHDSACASA-N 1 3 247.342 0.892 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N1CCN(C)C(C)(C)CC1 ZINC000892104629 582792830 /nfs/dbraw/zinc/79/28/30/582792830.db2.gz YSDXIZJCXPCNTC-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H](CNC1=[NH+]C[C@@H](C)N1)N1CCCC1 ZINC000848986416 582817354 /nfs/dbraw/zinc/81/73/54/582817354.db2.gz PWOMAOGOMOZNFV-MNOVXSKESA-N 1 3 224.352 0.798 20 0 BCADHO CN(C)CC(C)(C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548775 582910455 /nfs/dbraw/zinc/91/04/55/582910455.db2.gz IYJDTMYJLOWUDU-AOOOYVTPSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H]1C[C@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000892673729 582948269 /nfs/dbraw/zinc/94/82/69/582948269.db2.gz OZRBUSACYUMDJV-CMPLNLGQSA-N 1 3 235.331 0.890 20 0 BCADHO C[C@H]1C[C@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000892673729 582948271 /nfs/dbraw/zinc/94/82/71/582948271.db2.gz OZRBUSACYUMDJV-CMPLNLGQSA-N 1 3 235.331 0.890 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000394608492 583115490 /nfs/dbraw/zinc/11/54/90/583115490.db2.gz RBRVVGJTQAATFE-RWMBFGLXSA-N 1 3 242.363 0.600 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000394608492 583115491 /nfs/dbraw/zinc/11/54/91/583115491.db2.gz RBRVVGJTQAATFE-RWMBFGLXSA-N 1 3 242.363 0.600 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000894184733 583332817 /nfs/dbraw/zinc/33/28/17/583332817.db2.gz FGFMPUNUQXPBSP-ZDUSSCGKSA-N 1 3 239.363 0.526 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000894184733 583332820 /nfs/dbraw/zinc/33/28/20/583332820.db2.gz FGFMPUNUQXPBSP-ZDUSSCGKSA-N 1 3 239.363 0.526 20 0 BCADHO C[C@H](NCC1CC[NH+](C)CC1)C(=O)NCCF ZINC000894256583 583395323 /nfs/dbraw/zinc/39/53/23/583395323.db2.gz HMYUHPRYRBSJDB-JTQLQIEISA-N 1 3 245.342 0.392 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2COCO2)CC1 ZINC000894878806 583543134 /nfs/dbraw/zinc/54/31/34/583543134.db2.gz IYJVANMKGCHECZ-NSHDSACASA-N 1 3 214.309 0.433 20 0 BCADHO COC(=O)[C@H]1CCCN1CC1CC[NH2+]CC1 ZINC000141514948 583583922 /nfs/dbraw/zinc/58/39/22/583583922.db2.gz QWHJUWUCVOARMY-LLVKDONJSA-N 1 3 226.320 0.623 20 0 BCADHO CN1CCC(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000895387686 583662748 /nfs/dbraw/zinc/66/27/48/583662748.db2.gz OCPLKQYDFDTWRD-QWHCGFSZSA-N 1 3 224.348 0.785 20 0 BCADHO CN1CCC(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000895387686 583662749 /nfs/dbraw/zinc/66/27/49/583662749.db2.gz OCPLKQYDFDTWRD-QWHCGFSZSA-N 1 3 224.348 0.785 20 0 BCADHO CC(=O)OC[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895429522 583668926 /nfs/dbraw/zinc/66/89/26/583668926.db2.gz OYWDBSPUKIIFAD-VHSXEESVSA-N 1 3 216.325 0.868 20 0 BCADHO CN1CCC(C[N@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000895538351 583687555 /nfs/dbraw/zinc/68/75/55/583687555.db2.gz IWKASKUTUZVNCJ-CYBMUJFWSA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC(C[N@@H+](C)[C@@]2(CO)CCOC2)CC1 ZINC000895538351 583687556 /nfs/dbraw/zinc/68/75/56/583687556.db2.gz IWKASKUTUZVNCJ-CYBMUJFWSA-N 1 3 242.363 0.411 20 0 BCADHO CC(C)C[C@@H](C(N)=O)N(C)CC[C@@H]1CC[NH2+]C1 ZINC000883461953 583823621 /nfs/dbraw/zinc/82/36/21/583823621.db2.gz GXYBLUJJJZUSFR-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CN(CC[NH+](C)C)C(=O)[C@H]1CCN1C(C)(C)C ZINC000896821910 583836896 /nfs/dbraw/zinc/83/68/96/583836896.db2.gz XKWQIZPJVXFIQQ-LLVKDONJSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)NCCN(C)C)C1 ZINC000897441306 583984536 /nfs/dbraw/zinc/98/45/36/583984536.db2.gz BZIXPEBRANEEDA-LLVKDONJSA-N 1 3 242.367 0.189 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)NCCN(C)C)C1 ZINC000897441306 583984539 /nfs/dbraw/zinc/98/45/39/583984539.db2.gz BZIXPEBRANEEDA-LLVKDONJSA-N 1 3 242.367 0.189 20 0 BCADHO COC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000729436016 584014329 /nfs/dbraw/zinc/01/43/29/584014329.db2.gz LDLUNUNBHIQASJ-UHFFFAOYSA-N 1 3 217.313 0.178 20 0 BCADHO CC[C@H](O)CN1CCC12CC[NH+](C)CC2 ZINC000899911340 584252846 /nfs/dbraw/zinc/25/28/46/584252846.db2.gz SJJAXGYRNPXXEZ-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO CC[C@H](O)C[N@@H+]1CCC12CCN(C)CC2 ZINC000899911340 584252848 /nfs/dbraw/zinc/25/28/48/584252848.db2.gz SJJAXGYRNPXXEZ-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO CC[C@H](O)C[N@H+]1CCC12CCN(C)CC2 ZINC000899911340 584252850 /nfs/dbraw/zinc/25/28/50/584252850.db2.gz SJJAXGYRNPXXEZ-NSHDSACASA-N 1 3 212.337 0.927 20 0 BCADHO C[NH2+][C@H](C)Cc1noc([C@@]2(C)CCCN2)n1 ZINC000900008647 584265108 /nfs/dbraw/zinc/26/51/08/584265108.db2.gz NXVUROABRKCXTL-LDYMZIIASA-N 1 3 224.308 0.819 20 0 BCADHO COC[C@](C)(O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361473 584572890 /nfs/dbraw/zinc/57/28/90/584572890.db2.gz PPRBKVJSTBCABW-DGCLKSJQSA-N 1 3 244.379 0.752 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)NCC1([NH3+])CC1 ZINC000902408172 584574759 /nfs/dbraw/zinc/57/47/59/584574759.db2.gz XZROKBPKXHZWIA-LLVKDONJSA-N 1 3 222.336 0.989 20 0 BCADHO C[C@H](NCC1([NH3+])CC1)C(C)(C)n1cncn1 ZINC000902404206 584588837 /nfs/dbraw/zinc/58/88/37/584588837.db2.gz CTSRTUCLRFGXJT-VIFPVBQESA-N 1 3 223.324 0.483 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCON ZINC000902414859 584600213 /nfs/dbraw/zinc/60/02/13/584600213.db2.gz DXSIVMVVGGAWIX-ZJUUUORDSA-N 1 3 201.314 0.374 20 0 BCADHO CC1(C)C[C@@H]([NH2+]CCCON)C[C@@H](N)C1 ZINC000902414888 584600217 /nfs/dbraw/zinc/60/02/17/584600217.db2.gz FSMXEEFIUVKDAS-ZJUUUORDSA-N 1 3 215.341 0.762 20 0 BCADHO C(N[C@H]1CNCCOC1)[C@H]1CCCCC[NH2+]1 ZINC000902477790 584603198 /nfs/dbraw/zinc/60/31/98/584603198.db2.gz SCFYEUMRKKNULY-NEPJUHHUSA-N 1 3 227.352 0.097 20 0 BCADHO C[C@H]([NH2+][C@@H]1CNCC1(C)C)[C@@H]1CCOC1 ZINC000902451808 584607284 /nfs/dbraw/zinc/60/72/84/584607284.db2.gz YCJBGNRQUXEOAU-HBNTYKKESA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1C[NH2+]C1 ZINC000902452181 584607410 /nfs/dbraw/zinc/60/74/10/584607410.db2.gz JXKGBSDWVMIFED-DMSSDXNTSA-N 1 3 208.305 0.360 20 0 BCADHO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CNC1 ZINC000902452181 584607411 /nfs/dbraw/zinc/60/74/11/584607411.db2.gz JXKGBSDWVMIFED-DMSSDXNTSA-N 1 3 208.305 0.360 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472124 584617628 /nfs/dbraw/zinc/61/76/28/584617628.db2.gz XHICOQLMJSCDQC-IYKVGLELSA-N 1 3 209.337 0.419 20 0 BCADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccnn1C ZINC000902484632 584624635 /nfs/dbraw/zinc/62/46/35/584624635.db2.gz GNVPSMCBSQVPDR-GUBZILKMSA-N 1 3 208.309 0.808 20 0 BCADHO COC[C@@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902515176 584629303 /nfs/dbraw/zinc/62/93/03/584629303.db2.gz SYTZTTPEDPDUTP-UMSGYPCISA-N 1 3 242.363 0.504 20 0 BCADHO C[NH+](C)CCCN[C@H]1CCO[C@]12CCOC2 ZINC000903056186 584722456 /nfs/dbraw/zinc/72/24/56/584722456.db2.gz RHGJMRVBJFFIMX-RYUDHWBXSA-N 1 3 228.336 0.476 20 0 BCADHO Cn1ccnc1[C@@H]1CNCCN1C[C@H]1CCC[NH2+]1 ZINC000903453089 584772911 /nfs/dbraw/zinc/77/29/11/584772911.db2.gz YXXACOMEHSWFJX-NEPJUHHUSA-N 1 3 249.362 0.118 20 0 BCADHO C(N[C@@H]1CC[NH2+]C12CCCC2)[C@@H]1CNCCO1 ZINC000903482249 584778802 /nfs/dbraw/zinc/77/88/02/584778802.db2.gz ZUNOBNDZCPJHCA-NWDGAFQWSA-N 1 3 239.363 0.239 20 0 BCADHO C[NH2+]C[C@@H]1CCCCN1C[C@@H]1CNCCO1 ZINC000903526485 584781901 /nfs/dbraw/zinc/78/19/01/584781901.db2.gz IBCBIUTVRZZHKL-RYUDHWBXSA-N 1 3 227.352 0.049 20 0 BCADHO C[C@@]1([C@@H]2CCC[N@H+](CCCN)C2)COC(=O)N1 ZINC000903560814 584782117 /nfs/dbraw/zinc/78/21/17/584782117.db2.gz AUUFECPIKWUKEC-PWSUYJOCSA-N 1 3 241.335 0.546 20 0 BCADHO C[C@@]1([C@@H]2CCC[N@@H+](CCCN)C2)COC(=O)N1 ZINC000903560814 584782119 /nfs/dbraw/zinc/78/21/19/584782119.db2.gz AUUFECPIKWUKEC-PWSUYJOCSA-N 1 3 241.335 0.546 20 0 BCADHO C[C@]1([C@@H]2CCC[N@H+](CCCN)C2)COC(=O)N1 ZINC000903560815 584782336 /nfs/dbraw/zinc/78/23/36/584782336.db2.gz AUUFECPIKWUKEC-ZYHUDNBSSA-N 1 3 241.335 0.546 20 0 BCADHO C[C@]1([C@@H]2CCC[N@@H+](CCCN)C2)COC(=O)N1 ZINC000903560815 584782337 /nfs/dbraw/zinc/78/23/37/584782337.db2.gz AUUFECPIKWUKEC-ZYHUDNBSSA-N 1 3 241.335 0.546 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)CCCN ZINC000903717801 584792295 /nfs/dbraw/zinc/79/22/95/584792295.db2.gz WYCUDYDCSTZZOU-VHSXEESVSA-N 1 3 214.309 0.466 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)CCCN ZINC000903717801 584792296 /nfs/dbraw/zinc/79/22/96/584792296.db2.gz WYCUDYDCSTZZOU-VHSXEESVSA-N 1 3 214.309 0.466 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903717269 584792305 /nfs/dbraw/zinc/79/23/05/584792305.db2.gz MCBKLJQNNCPGRI-CYDGBPFRSA-N 1 3 242.363 0.753 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN[C@](C)(C[NH3+])C1CC1 ZINC000903718099 584792465 /nfs/dbraw/zinc/79/24/65/584792465.db2.gz ZPUBNPHRBGZMMD-UFGOTCBOSA-N 1 3 240.347 0.903 20 0 BCADHO C[C@](C[NH3+])(NC[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC1 ZINC000903716996 584792480 /nfs/dbraw/zinc/79/24/80/584792480.db2.gz GFDQACXZGWYVAS-GWNIPJSYSA-N 1 3 240.347 0.507 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903717271 584792589 /nfs/dbraw/zinc/79/25/89/584792589.db2.gz MCBKLJQNNCPGRI-VOAKCMCISA-N 1 3 242.363 0.753 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1CCNCC1 ZINC000903713629 584793449 /nfs/dbraw/zinc/79/34/49/584793449.db2.gz XXYPXKUCYAHXIK-CMPLNLGQSA-N 1 3 240.347 0.869 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C1CCNCC1 ZINC000903713629 584793450 /nfs/dbraw/zinc/79/34/50/584793450.db2.gz XXYPXKUCYAHXIK-CMPLNLGQSA-N 1 3 240.347 0.869 20 0 BCADHO O[C@H]1CCN(CC2CC[NH2+]CC2)C[C@@H]1F ZINC000903712935 584793738 /nfs/dbraw/zinc/79/37/38/584793738.db2.gz VPNAACSISLSICX-QWRGUYRKSA-N 1 3 216.300 0.391 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000903742545 584796740 /nfs/dbraw/zinc/79/67/40/584796740.db2.gz CRKHMNCVDHLQOS-FIQHERPVSA-N 1 3 240.347 0.855 20 0 BCADHO C[C@H]1CCOCCN1CCN1CC[NH2+]CC1 ZINC000903831327 584805390 /nfs/dbraw/zinc/80/53/90/584805390.db2.gz IFCLWJUEOUENPL-LBPRGKRZSA-N 1 3 227.352 0.002 20 0 BCADHO OCC[C@H]1COCCN1CC[C@H]1CC[NH2+]C1 ZINC000903830190 584805508 /nfs/dbraw/zinc/80/55/08/584805508.db2.gz VWRAMKHXQJUUNR-NEPJUHHUSA-N 1 3 228.336 0.069 20 0 BCADHO C[C@H]1CCOCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903833449 584806298 /nfs/dbraw/zinc/80/62/98/584806298.db2.gz WVOAHQBNXYJEFB-RYUDHWBXSA-N 1 3 240.347 0.618 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871528 584815457 /nfs/dbraw/zinc/81/54/57/584815457.db2.gz RAXGCSVZSKVUAZ-WOPDTQHZSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871528 584815458 /nfs/dbraw/zinc/81/54/58/584815458.db2.gz RAXGCSVZSKVUAZ-WOPDTQHZSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@@H]2CSC[C@]2(C)C1 ZINC000903871528 584815459 /nfs/dbraw/zinc/81/54/59/584815459.db2.gz RAXGCSVZSKVUAZ-WOPDTQHZSA-N 1 3 244.404 0.642 20 0 BCADHO OC[C@]1(F)CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903918471 584822354 /nfs/dbraw/zinc/82/23/54/584822354.db2.gz ZZOAUAWMGSJTQN-WVMKXHBISA-N 1 3 242.338 0.923 20 0 BCADHO CC(C)CNCc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903924883 584823656 /nfs/dbraw/zinc/82/36/56/584823656.db2.gz JFAXWCOXYXXCJL-NSHDSACASA-N 1 3 237.351 0.948 20 0 BCADHO N[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CC[C@H]1F ZINC000903932759 584824925 /nfs/dbraw/zinc/82/49/25/584824925.db2.gz GGZSNTBWVAKYEF-BWZBUEFSSA-N 1 3 225.258 0.340 20 0 BCADHO Nc1ccnc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000903953663 584831522 /nfs/dbraw/zinc/83/15/22/584831522.db2.gz IOOKIWRPORPEHX-SNVBAGLBSA-N 1 3 206.293 0.505 20 0 BCADHO CCN(CCC(N)=O)C[C@]1(C)CC[NH2+]C1 ZINC000903987575 584836064 /nfs/dbraw/zinc/83/60/64/584836064.db2.gz HHXUOYTWHFAGTG-LLVKDONJSA-N 1 3 213.325 0.183 20 0 BCADHO CCNC(=O)CN(CC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904304059 584861834 /nfs/dbraw/zinc/86/18/34/584861834.db2.gz QCMJPLDJIYBSPN-AOOOYVTPSA-N 1 3 213.325 0.182 20 0 BCADHO CCOCCN1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904306897 584862073 /nfs/dbraw/zinc/86/20/73/584862073.db2.gz GSYQIUMHTLWWMO-BETUJISGSA-N 1 3 241.379 0.378 20 0 BCADHO CCCN(CC(=O)NC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313529 584863584 /nfs/dbraw/zinc/86/35/84/584863584.db2.gz WGCRJYNEHWJQLF-AOOOYVTPSA-N 1 3 213.325 0.182 20 0 BCADHO CN(C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCCNC1=O ZINC000904313223 584863592 /nfs/dbraw/zinc/86/35/92/584863592.db2.gz CWDDGLWDILWQMV-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](CO)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904324761 584865570 /nfs/dbraw/zinc/86/55/70/584865570.db2.gz KWUSQLRICJMNEM-FRRDWIJNSA-N 1 3 241.379 0.112 20 0 BCADHO C[C@H](C[NH3+])NCc1ccc(N2CCNCC2)o1 ZINC000904355764 584871462 /nfs/dbraw/zinc/87/14/62/584871462.db2.gz RVTLOPBLDUTZGS-SNVBAGLBSA-N 1 3 238.335 0.126 20 0 BCADHO [NH3+]CC1CC(N[C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000904370988 584873080 /nfs/dbraw/zinc/87/30/80/584873080.db2.gz GYMFUSSZHHNIRA-QQFIATSDSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+]CC1CC(N[C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000904370985 584873314 /nfs/dbraw/zinc/87/33/14/584873314.db2.gz GYMFUSSZHHNIRA-KIDURHIOSA-N 1 3 237.347 0.467 20 0 BCADHO Nc1ccc(CNCCCCCC[NH3+])nn1 ZINC000904374107 584873799 /nfs/dbraw/zinc/87/37/99/584873799.db2.gz NANCFBKCUULEGZ-UHFFFAOYSA-N 1 3 223.324 0.668 20 0 BCADHO C([C@@H]1CCSC1)N1CCNCC[NH2+]CC1 ZINC000904397091 584875181 /nfs/dbraw/zinc/87/51/81/584875181.db2.gz YKHUFZHSYBTGCD-NSHDSACASA-N 1 3 229.393 0.234 20 0 BCADHO CCn1nccc1CNC1CC(C[NH3+])C1 ZINC000904378843 584876623 /nfs/dbraw/zinc/87/66/23/584876623.db2.gz MBUVYUCHABMERO-UHFFFAOYSA-N 1 3 208.309 0.730 20 0 BCADHO [NH3+]CC1CC(N[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000904381425 584876801 /nfs/dbraw/zinc/87/68/01/584876801.db2.gz OOIYJCSGYZXEMI-RTYFJBAXSA-N 1 3 237.347 0.467 20 0 BCADHO Nc1ccc(CN2CC[C@H](CC[NH3+])C2)nn1 ZINC000904406250 584878413 /nfs/dbraw/zinc/87/84/13/584878413.db2.gz CZUTYGITZNQJOQ-VIFPVBQESA-N 1 3 221.308 0.230 20 0 BCADHO Nc1ccc(CN2CC[C@H](CC[NH3+])C2)cn1 ZINC000904406975 584878744 /nfs/dbraw/zinc/87/87/44/584878744.db2.gz ZHRZLJDLFSGSKF-JTQLQIEISA-N 1 3 220.320 0.835 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1C ZINC000876831775 584887456 /nfs/dbraw/zinc/88/74/56/584887456.db2.gz KATLHFNFMJPNSF-DDHJBXDOSA-N 1 3 239.363 0.713 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877081424 584889873 /nfs/dbraw/zinc/88/98/73/584889873.db2.gz AWRGAOXEDCFLNT-DCAQKATOSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106044 584890222 /nfs/dbraw/zinc/89/02/22/584890222.db2.gz OSGUMBKDFMXROQ-ZJUUUORDSA-N 1 3 215.341 0.556 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884027380 584901911 /nfs/dbraw/zinc/90/19/11/584901911.db2.gz AAQIVUFNCJAZHJ-QWRGUYRKSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](N)C1CCC1 ZINC000831970527 584911192 /nfs/dbraw/zinc/91/11/92/584911192.db2.gz ICJXSLMNGWSITC-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](N)C1CCC1 ZINC000831970527 584911193 /nfs/dbraw/zinc/91/11/93/584911193.db2.gz ICJXSLMNGWSITC-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO COCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000884034741 584939496 /nfs/dbraw/zinc/93/94/96/584939496.db2.gz KSSMFPDOOFJNRY-ZYHUDNBSSA-N 1 3 245.367 0.230 20 0 BCADHO C[NH+]1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000746102847 585163180 /nfs/dbraw/zinc/16/31/80/585163180.db2.gz MDQGZOYMLHOFSK-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CN(C)C1(C(=O)NCC[N@H+](C)C2CC2)CCC1 ZINC000763031298 585441947 /nfs/dbraw/zinc/44/19/47/585441947.db2.gz TYLQOAOCSLMCKF-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)C1(C(=O)NCC[N@@H+](C)C2CC2)CCC1 ZINC000763031298 585441948 /nfs/dbraw/zinc/44/19/48/585441948.db2.gz TYLQOAOCSLMCKF-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C1(N(C)C)CCC1 ZINC000763045682 585442535 /nfs/dbraw/zinc/44/25/35/585442535.db2.gz WMHLPQTVGSNMQY-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO OCC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803375 585600318 /nfs/dbraw/zinc/60/03/18/585600318.db2.gz ZRFUQVUGZZMZRD-CHWSQXEVSA-N 1 3 242.363 0.194 20 0 BCADHO C[C@H](CCO)[NH2+]CCCCN1CCN(C)CC1 ZINC000779387912 585753106 /nfs/dbraw/zinc/75/31/06/585753106.db2.gz NYIITFOGJCZGME-CYBMUJFWSA-N 1 3 243.395 0.375 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606685 585821565 /nfs/dbraw/zinc/82/15/65/585821565.db2.gz HXFIMJVLPZHVAL-YNEHKIRRSA-N 1 3 224.348 0.785 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782606685 585821566 /nfs/dbraw/zinc/82/15/66/585821566.db2.gz HXFIMJVLPZHVAL-YNEHKIRRSA-N 1 3 224.348 0.785 20 0 BCADHO O[C@@H](CN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000795096413 586068209 /nfs/dbraw/zinc/06/82/09/586068209.db2.gz WCZVEERXEOSPMK-AWEZNQCLSA-N 1 3 247.342 0.975 20 0 BCADHO CN(CCF)CCCN(C)CC[NH+](C)C ZINC000808781451 586489658 /nfs/dbraw/zinc/48/96/58/586489658.db2.gz GTPJMEYYOVTIKD-UHFFFAOYSA-N 1 3 219.348 0.771 20 0 BCADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH+](C)C ZINC000816832837 586766615 /nfs/dbraw/zinc/76/66/15/586766615.db2.gz OKYCWAFAKCVJPH-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](NCCN1CCC[C@@H]1C)C1C[NH2+]C1 ZINC000817912832 586831453 /nfs/dbraw/zinc/83/14/53/586831453.db2.gz JMCYMUBCGCFESI-WDEREUQCSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)C[C@H](O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000817906361 586837144 /nfs/dbraw/zinc/83/71/44/586837144.db2.gz YQEXRAIZUIPZJI-GARJFASQSA-N 1 3 200.326 0.863 20 0 BCADHO COC(=O)N1CCC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000817903167 586835999 /nfs/dbraw/zinc/83/59/99/586835999.db2.gz JAQBJOKPDBHZAN-VWYCJHECSA-N 1 3 243.351 0.933 20 0 BCADHO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000817903167 586836002 /nfs/dbraw/zinc/83/60/02/586836002.db2.gz JAQBJOKPDBHZAN-VWYCJHECSA-N 1 3 243.351 0.933 20 0 BCADHO CN(C(=O)C1(N)CC1)C1CCC([NH3+])CC1 ZINC000818528992 586897685 /nfs/dbraw/zinc/89/76/85/586897685.db2.gz OZKFQRBHABEZDP-UHFFFAOYSA-N 1 3 211.309 0.206 20 0 BCADHO CN(CCC[NH3+])C(=O)C1CCN(C2CC2)CC1 ZINC000818523123 586897380 /nfs/dbraw/zinc/89/73/80/586897380.db2.gz YYTUGDYWWNOAGI-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO N[C@H]1C[C@H]1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534907 586898301 /nfs/dbraw/zinc/89/83/01/586898301.db2.gz PHXVBFZSQHBSJD-NEPJUHHUSA-N 1 3 233.315 0.151 20 0 BCADHO CCNCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000818565449 586902038 /nfs/dbraw/zinc/90/20/38/586902038.db2.gz YEKZGKSOAJLBHH-JTQLQIEISA-N 1 3 248.330 0.446 20 0 BCADHO CCNCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000818592368 586903767 /nfs/dbraw/zinc/90/37/67/586903767.db2.gz SMTSJTACQNORNB-GFCCVEGCSA-N 1 3 225.336 0.198 20 0 BCADHO C[NH+](C)CC1CCN(C[C@H]2CCC(=O)O2)CC1 ZINC000821355596 587111152 /nfs/dbraw/zinc/11/11/52/587111152.db2.gz VWMSPJZAQMTJEG-GFCCVEGCSA-N 1 3 240.347 0.966 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)CN1CCCC1 ZINC000822026033 587149807 /nfs/dbraw/zinc/14/98/07/587149807.db2.gz QJLIPFSUFZHSPE-UHFFFAOYSA-N 1 3 239.363 0.635 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)CN1CCCC1 ZINC000822026033 587149808 /nfs/dbraw/zinc/14/98/08/587149808.db2.gz QJLIPFSUFZHSPE-UHFFFAOYSA-N 1 3 239.363 0.635 20 0 BCADHO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000823381672 587218896 /nfs/dbraw/zinc/21/88/96/587218896.db2.gz ZEMOSGZTALGVPK-PJXYFTJBSA-N 1 3 237.347 0.101 20 0 BCADHO [NH3+]CCCCCCNC(=O)N1CCCNCC1 ZINC000831290721 587596147 /nfs/dbraw/zinc/59/61/47/587596147.db2.gz FKHFUVYCPKCREN-UHFFFAOYSA-N 1 3 242.367 0.510 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CCNC1)C1CC1 ZINC000831860501 587634651 /nfs/dbraw/zinc/63/46/51/587634651.db2.gz VAOUFIKLVUJUOP-ZYHUDNBSSA-N 1 3 243.326 0.144 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000831970656 587639625 /nfs/dbraw/zinc/63/96/25/587639625.db2.gz JWUNCSYGRLJUCV-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000831970656 587639627 /nfs/dbraw/zinc/63/96/27/587639627.db2.gz JWUNCSYGRLJUCV-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCC[C@@H]1C ZINC000831970499 587640025 /nfs/dbraw/zinc/64/00/25/587640025.db2.gz HKTOYUYZSLSCDS-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000831970283 587640294 /nfs/dbraw/zinc/64/02/94/587640294.db2.gz BPLTYITZRBQEEI-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000831970412 587640538 /nfs/dbraw/zinc/64/05/38/587640538.db2.gz GKVCSWDILXEXLW-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)CC1(C[NH3+])CC1 ZINC000831970701 587640638 /nfs/dbraw/zinc/64/06/38/587640638.db2.gz KPMPKVYGEYZPLF-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)CCC[NH3+] ZINC000831970599 587640956 /nfs/dbraw/zinc/64/09/56/587640956.db2.gz JHQJIVLZYMIHQF-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970422 587640969 /nfs/dbraw/zinc/64/09/69/587640969.db2.gz HBHGNFNBJYGIBF-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970422 587640970 /nfs/dbraw/zinc/64/09/70/587640970.db2.gz HBHGNFNBJYGIBF-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000832083506 587644879 /nfs/dbraw/zinc/64/48/79/587644879.db2.gz ZZPDRBRRASIWDW-GFCCVEGCSA-N 1 3 243.326 0.241 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000832089392 587644956 /nfs/dbraw/zinc/64/49/56/587644956.db2.gz YKHCLBMXHJYXKA-GFCCVEGCSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](NC(=O)[C@@]1(F)CCNC1)[C@H]1CCC[NH2+]C1 ZINC000832498180 587663766 /nfs/dbraw/zinc/66/37/66/587663766.db2.gz WSTDJXVXKJDDAP-JBLDHEPKSA-N 1 3 243.326 0.192 20 0 BCADHO NCc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000832630425 587670827 /nfs/dbraw/zinc/67/08/27/587670827.db2.gz JLETUDXWVRQZPO-LLVKDONJSA-N 1 3 247.342 0.875 20 0 BCADHO CC(C)([NH3+])CNC(=O)c1cccc(CN)c1 ZINC000832801333 587691029 /nfs/dbraw/zinc/69/10/29/587691029.db2.gz ZGQABYGJXZEIDQ-UHFFFAOYSA-N 1 3 221.304 0.612 20 0 BCADHO CCCCCCN(C)CC(=O)NCC1C[NH2+]C1 ZINC000834394435 587754410 /nfs/dbraw/zinc/75/44/10/587754410.db2.gz OTQZFPGZYHYVNK-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](C)NC2CC2)CC[C@H]1[NH3+] ZINC000834646935 587762470 /nfs/dbraw/zinc/76/24/70/587762470.db2.gz KMNBLVFSSJOJBS-CKYFFXLPSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(CN)c1 ZINC000834642171 587762514 /nfs/dbraw/zinc/76/25/14/587762514.db2.gz PXEXUGKHAHVKCF-GXFFZTMASA-N 1 3 247.342 0.873 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000834786174 587766929 /nfs/dbraw/zinc/76/69/29/587766929.db2.gz LOCBDDDBPQBYEB-ONGXEEELSA-N 1 3 231.315 0.322 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCNCC1(C)C ZINC000841849136 587978033 /nfs/dbraw/zinc/97/80/33/587978033.db2.gz WFTLGIXVVSONIU-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)CCN1 ZINC000841850667 587978386 /nfs/dbraw/zinc/97/83/86/587978386.db2.gz BKTCDNUTOWGOBB-CMPLNLGQSA-N 1 3 239.363 0.583 20 0 BCADHO CC[NH2+]CC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000841851777 587978414 /nfs/dbraw/zinc/97/84/14/587978414.db2.gz XDCXGVYNEHVOTH-ZDUSSCGKSA-N 1 3 247.342 0.599 20 0 BCADHO CN(C)C(=O)CN(C)CCCCCCC[NH3+] ZINC000842471436 588028265 /nfs/dbraw/zinc/02/82/65/588028265.db2.gz BEEDWTHOBSZPKE-UHFFFAOYSA-N 1 3 229.368 0.916 20 0 BCADHO CN(CC[C@H]1CC[NH2+]C1)[C@H]1CCCCNC1=O ZINC000842471858 588028924 /nfs/dbraw/zinc/02/89/24/588028924.db2.gz DJBUUVXTCRHWPN-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO O=C(N1CCC2(CC[NH2+]2)CC1)[C@@]1(F)CCNC1 ZINC000842512129 588032491 /nfs/dbraw/zinc/03/24/91/588032491.db2.gz KNTBWNJHSLIRSH-GFCCVEGCSA-N 1 3 241.310 0.043 20 0 BCADHO O=C1OCC[C@]12CCCN2CC1CC[NH2+]CC1 ZINC000843119594 588083895 /nfs/dbraw/zinc/08/38/95/588083895.db2.gz UWSGQSKIAFNHTC-CYBMUJFWSA-N 1 3 238.331 0.768 20 0 BCADHO CC[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843327280 588100093 /nfs/dbraw/zinc/10/00/93/588100093.db2.gz FCJPSTVFDVVNRM-LBPRGKRZSA-N 1 3 235.331 0.541 20 0 BCADHO CC1(C)CNCCN1C(=O)CCCCC[NH3+] ZINC000843351757 588102345 /nfs/dbraw/zinc/10/23/45/588102345.db2.gz BOIFTYILCPKQDO-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843452738 588111653 /nfs/dbraw/zinc/11/16/53/588111653.db2.gz XIXPCWZGBOQKKD-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+]CCCCCCNC(=O)C[C@@H]1CNCCO1 ZINC000843505714 588117163 /nfs/dbraw/zinc/11/71/63/588117163.db2.gz KIQCCRIZIMRMAP-LLVKDONJSA-N 1 3 243.351 0.000 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843514589 588117924 /nfs/dbraw/zinc/11/79/24/588117924.db2.gz ZDDVLPJMZFVNOR-SNVBAGLBSA-N 1 3 225.336 0.387 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000844170808 588171545 /nfs/dbraw/zinc/17/15/45/588171545.db2.gz DHHCTTZPHOKXNB-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000844170808 588171546 /nfs/dbraw/zinc/17/15/46/588171546.db2.gz DHHCTTZPHOKXNB-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000844183042 588172051 /nfs/dbraw/zinc/17/20/51/588172051.db2.gz OGWFEFDFCPVSRX-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CCNCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000844183042 588172053 /nfs/dbraw/zinc/17/20/53/588172053.db2.gz OGWFEFDFCPVSRX-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000844183042 588172055 /nfs/dbraw/zinc/17/20/55/588172055.db2.gz OGWFEFDFCPVSRX-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000844178336 588172162 /nfs/dbraw/zinc/17/21/62/588172162.db2.gz PKRIHSBXQPDOGP-JQWIXIFHSA-N 1 3 243.326 0.146 20 0 BCADHO C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000844178336 588172163 /nfs/dbraw/zinc/17/21/63/588172163.db2.gz PKRIHSBXQPDOGP-JQWIXIFHSA-N 1 3 243.326 0.146 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000844171892 588172229 /nfs/dbraw/zinc/17/22/29/588172229.db2.gz NZKAGLHUEIZYBR-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCNCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000844171892 588172230 /nfs/dbraw/zinc/17/22/30/588172230.db2.gz NZKAGLHUEIZYBR-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000844191051 588173076 /nfs/dbraw/zinc/17/30/76/588173076.db2.gz PJJWPMHAWYMIST-KOLCDFICSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)N(C)CC(=O)NCCCCCC[NH3+] ZINC000844201029 588173169 /nfs/dbraw/zinc/17/31/69/588173169.db2.gz KVFPQKNCOUCHHF-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CN(CC(F)F)C1CCN(CCC[NH3+])CC1 ZINC000844220799 588174371 /nfs/dbraw/zinc/17/43/71/588174371.db2.gz BRJLWHCAVOBUQF-UHFFFAOYSA-N 1 3 235.322 0.997 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)[N-]OC2CC[NH+](C)CC2)C1 ZINC000846648274 588280716 /nfs/dbraw/zinc/28/07/16/588280716.db2.gz QVYGKXPKKNHKBF-SNVBAGLBSA-N 1 3 241.335 0.080 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)[N-]OC2CC[NH+](C)CC2)C1 ZINC000846648274 588280717 /nfs/dbraw/zinc/28/07/17/588280717.db2.gz QVYGKXPKKNHKBF-SNVBAGLBSA-N 1 3 241.335 0.080 20 0 BCADHO CCNCC(=O)NCCC[N@H+](C)CC(C)C ZINC000846686412 588283014 /nfs/dbraw/zinc/28/30/14/588283014.db2.gz IPNHFOPIUBDUSS-UHFFFAOYSA-N 1 3 229.368 0.690 20 0 BCADHO CCNCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000846686412 588283015 /nfs/dbraw/zinc/28/30/15/588283015.db2.gz IPNHFOPIUBDUSS-UHFFFAOYSA-N 1 3 229.368 0.690 20 0 BCADHO CCNCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846690101 588283108 /nfs/dbraw/zinc/28/31/08/588283108.db2.gz ZDQUSDWQOSQHFS-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO CCNCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846696146 588283334 /nfs/dbraw/zinc/28/33/34/588283334.db2.gz XRZISAZNBAVSGE-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CNC(=[NH2+])NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000848986951 588425655 /nfs/dbraw/zinc/42/56/55/588425655.db2.gz BPSRWALHOWPIGC-VHSXEESVSA-N 1 3 212.341 0.851 20 0 BCADHO [NH2+]=C(NCCCN1CCC(O)CC1)NC1CC1 ZINC000848987893 588426275 /nfs/dbraw/zinc/42/62/75/588426275.db2.gz MUTWTUDKKVKZQW-UHFFFAOYSA-N 1 3 240.351 0.110 20 0 BCADHO CC[C@H](C)NC(=[NH2+])NCCCN(C)CCOC ZINC000848993176 588428015 /nfs/dbraw/zinc/42/80/15/588428015.db2.gz CZNVBQYFHPWHMK-NSHDSACASA-N 1 3 244.383 0.867 20 0 BCADHO CN(C(=[NH2+])NCCNc1ccncc1)C1CC1 ZINC000848995259 588428680 /nfs/dbraw/zinc/42/86/80/588428680.db2.gz MZUXQMAXRCZNBV-UHFFFAOYSA-N 1 3 233.319 0.534 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)N1CCCCC1 ZINC000848995471 588428741 /nfs/dbraw/zinc/42/87/41/588428741.db2.gz ZWVQVCAMGPKXJX-UHFFFAOYSA-N 1 3 247.346 0.926 20 0 BCADHO [NH2+]=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC1 ZINC000849000280 588430457 /nfs/dbraw/zinc/43/04/57/588430457.db2.gz OVUYXZNHPFQZQK-QWRGUYRKSA-N 1 3 238.335 0.080 20 0 BCADHO C[C@H]1CCN(CCNC(=[NH2+])NC2CC2)C1 ZINC000849004779 588431981 /nfs/dbraw/zinc/43/19/81/588431981.db2.gz ZEDSVNROSHSDID-VIFPVBQESA-N 1 3 210.325 0.605 20 0 BCADHO CN1CCC[C@@H](CNC(=[NH2+])NC2CCC2)C1 ZINC000849005268 588432046 /nfs/dbraw/zinc/43/20/46/588432046.db2.gz JFMWYSDLYZABAV-JTQLQIEISA-N 1 3 224.352 0.995 20 0 BCADHO CCNC(=[NH2+])NCCCN1CCCO[C@H](C)C1 ZINC000849022529 588439403 /nfs/dbraw/zinc/43/94/03/588439403.db2.gz GWRGCRMWTWYXKZ-LLVKDONJSA-N 1 3 242.367 0.621 20 0 BCADHO CCNC(=[NH2+])NCCCN(C)CCN(C)C ZINC000849028206 588441343 /nfs/dbraw/zinc/44/13/43/588441343.db2.gz KAFAUMXIMCWDLN-UHFFFAOYSA-N 1 3 229.372 0.004 20 0 BCADHO CCOCCCNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000849030269 588442328 /nfs/dbraw/zinc/44/23/28/588442328.db2.gz HEFBPQSFZAXILZ-NSHDSACASA-N 1 3 244.383 0.725 20 0 BCADHO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000849030420 588442372 /nfs/dbraw/zinc/44/23/72/588442372.db2.gz OEVYIPDNDSDBQB-ZJUUUORDSA-N 1 3 230.356 0.333 20 0 BCADHO C[C@@H](CCNC(=S)NCCN(C)C)[NH+](C)C ZINC000849279837 588469170 /nfs/dbraw/zinc/46/91/70/588469170.db2.gz IVRGCOLLAXYJKC-JTQLQIEISA-N 1 3 246.424 0.352 20 0 BCADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2C=CCC2)C1 ZINC000849349522 588474215 /nfs/dbraw/zinc/47/42/15/588474215.db2.gz CBFWXIYVEBWFFN-RYUDHWBXSA-N 1 3 237.347 0.492 20 0 BCADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CNC(=O)C1 ZINC000852008683 588654891 /nfs/dbraw/zinc/65/48/91/588654891.db2.gz WPKGCAVUBMEQGK-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@H](O)[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000852562048 588690706 /nfs/dbraw/zinc/69/07/06/588690706.db2.gz ZQLPLMZCLFTMOY-RWMBFGLXSA-N 1 3 242.363 0.288 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCC[C@H]1C ZINC000852823233 588705638 /nfs/dbraw/zinc/70/56/38/588705638.db2.gz CVWBHSXDALDEPC-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCC[C@H]1C ZINC000852823229 588705783 /nfs/dbraw/zinc/70/57/83/588705783.db2.gz CUQSGCSJOJTQFH-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000852824067 588705825 /nfs/dbraw/zinc/70/58/25/588705825.db2.gz OZKXTVOVVGETQX-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CCNC(=O)[C@@]1(F)CCNC1)[NH+](C)C ZINC000852846151 588706341 /nfs/dbraw/zinc/70/63/41/588706341.db2.gz DBHHCICTDFIKLQ-MWLCHTKSSA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CNCCC1(F)F ZINC000852832411 588706796 /nfs/dbraw/zinc/70/67/96/588706796.db2.gz MBGJXGKQGIAMNB-QMMMGPOBSA-N 1 3 235.278 0.098 20 0 BCADHO [NH3+]C1(CNC(=O)[C@@]2(F)CCNC2)CCCC1 ZINC000852852301 588708224 /nfs/dbraw/zinc/70/82/24/588708224.db2.gz STHSPBPVZGDPFE-LLVKDONJSA-N 1 3 229.299 0.076 20 0 BCADHO NCc1cccc(C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000852859427 588708724 /nfs/dbraw/zinc/70/87/24/588708724.db2.gz SUHUNDRRBNZBFB-UHFFFAOYSA-N 1 3 245.326 0.709 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000852900529 588712230 /nfs/dbraw/zinc/71/22/30/588712230.db2.gz XWAJWBRAHCKUJA-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)NCCN(C)C1CC1 ZINC000861575820 589168997 /nfs/dbraw/zinc/16/89/97/589168997.db2.gz RNUHDMOFSVQDGS-VIFPVBQESA-N 1 3 228.340 0.069 20 0 BCADHO C[C@@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)N1CCCC1 ZINC000864454311 589365978 /nfs/dbraw/zinc/36/59/78/589365978.db2.gz WKJLFLQIVSKUMW-OUAUKWLOSA-N 1 3 224.352 0.993 20 0 BCADHO C[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)CN(C)C ZINC000864467618 589371612 /nfs/dbraw/zinc/37/16/12/589371612.db2.gz VFFBNARFZMYSAL-KXUCPTDWSA-N 1 3 212.341 0.706 20 0 BCADHO CC1(C)CC[NH2+]CCN1C[C@@H]1CNCCO1 ZINC000866697245 589512591 /nfs/dbraw/zinc/51/25/91/589512591.db2.gz KJCVMUOCFHIHGB-NSHDSACASA-N 1 3 227.352 0.049 20 0 BCADHO CC1(C)CCNCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC000866697829 589512649 /nfs/dbraw/zinc/51/26/49/589512649.db2.gz ZKQITLRKIFGMEG-NSHDSACASA-N 1 3 249.362 0.839 20 0 BCADHO CC1(C)CCNCC[N@H+]1C[C@@H]1CCc2ncnn21 ZINC000866697829 589512651 /nfs/dbraw/zinc/51/26/51/589512651.db2.gz ZKQITLRKIFGMEG-NSHDSACASA-N 1 3 249.362 0.839 20 0 BCADHO CC[C@H](C[NH+](C)C)OC(=O)C1CCN(C)C1=O ZINC000870553158 589675161 /nfs/dbraw/zinc/67/51/61/589675161.db2.gz HSEHGSSPIJECDO-ZJUUUORDSA-N 1 3 242.319 0.348 20 0 BCADHO C[C@H]1CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)CN1 ZINC000870912507 589696660 /nfs/dbraw/zinc/69/66/60/589696660.db2.gz GYQLYPYOHXQHKN-JPYZYGQNSA-N 1 3 237.347 0.323 20 0 BCADHO NC[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000870965889 589702385 /nfs/dbraw/zinc/70/23/85/589702385.db2.gz WYNFUZVTBKTDNG-UHTWSYAYSA-N 1 3 247.342 0.582 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968745 589702716 /nfs/dbraw/zinc/70/27/16/589702716.db2.gz CRQVXSPZKYBFAV-NGZCFLSTSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+][C@H]1C[C@H](CNC(=O)c2cccc3c2CNC3)C1 ZINC000870972755 589703601 /nfs/dbraw/zinc/70/36/01/589703601.db2.gz UETGCKLBPMKRDU-HOMQSWHASA-N 1 3 245.326 0.757 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000870983623 589705270 /nfs/dbraw/zinc/70/52/70/589705270.db2.gz WYNDQZZZEHZDEV-NXEZZACHSA-N 1 3 225.336 0.276 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000870983623 589705273 /nfs/dbraw/zinc/70/52/73/589705273.db2.gz WYNDQZZZEHZDEV-NXEZZACHSA-N 1 3 225.336 0.276 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983981 589705340 /nfs/dbraw/zinc/70/53/40/589705340.db2.gz FJUHHOBFJMWDIZ-KOLCDFICSA-N 1 3 227.352 0.474 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000870983626 589705555 /nfs/dbraw/zinc/70/55/55/589705555.db2.gz WYNDQZZZEHZDEV-VHSXEESVSA-N 1 3 225.336 0.276 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N)CC[C@H]21 ZINC000870983626 589705556 /nfs/dbraw/zinc/70/55/56/589705556.db2.gz WYNDQZZZEHZDEV-VHSXEESVSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870988185 589707052 /nfs/dbraw/zinc/70/70/52/589707052.db2.gz HVXZFNMMNWXVNP-NHCYSSNCSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987560 589707091 /nfs/dbraw/zinc/70/70/91/589707091.db2.gz NHQBHJLVNICZML-PWSUYJOCSA-N 1 3 241.379 0.864 20 0 BCADHO CNCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990746 589708057 /nfs/dbraw/zinc/70/80/57/589708057.db2.gz BCLOKWBPHYRGSB-GFCCVEGCSA-N 1 3 227.352 0.429 20 0 BCADHO COCCN(C)C(=[NH2+])NC[C@H]1CCCN(C)C1 ZINC000871604945 589774442 /nfs/dbraw/zinc/77/44/42/589774442.db2.gz JQVSIPXLEHFORV-LLVKDONJSA-N 1 3 242.367 0.431 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)CC(C)(C)O)CC[N@@H+]1C ZINC000872204360 589891826 /nfs/dbraw/zinc/89/18/26/589891826.db2.gz OUHSBDPRZYLEEP-GRYCIOLGSA-N 1 3 244.379 0.581 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H](O)CC(C)(C)O)CC[N@H+]1C ZINC000872204360 589891830 /nfs/dbraw/zinc/89/18/30/589891830.db2.gz OUHSBDPRZYLEEP-GRYCIOLGSA-N 1 3 244.379 0.581 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000872289951 589906407 /nfs/dbraw/zinc/90/64/07/589906407.db2.gz GNZQVSPOAMVZNP-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H]1C ZINC000872288509 589906562 /nfs/dbraw/zinc/90/65/62/589906562.db2.gz MUYLHURHHDPRIA-YFVNTRNASA-N 1 3 237.347 0.323 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000872297929 589907987 /nfs/dbraw/zinc/90/79/87/589907987.db2.gz YZXOHAMRANFTQX-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCNCCC1(C)C ZINC000872298591 589908073 /nfs/dbraw/zinc/90/80/73/589908073.db2.gz NZRUNDVOBQPAMK-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCNCCC1(C)C ZINC000872301309 589908373 /nfs/dbraw/zinc/90/83/73/589908373.db2.gz PINCPKXLGWBESU-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000124089992 589940092 /nfs/dbraw/zinc/94/00/92/589940092.db2.gz LLZOFOLCNBVRLH-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CN(C)CCNC(=O)CCCCC[NH3+] ZINC000019518812 589944399 /nfs/dbraw/zinc/94/43/99/589944399.db2.gz DARWDWAJAZOXNO-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO CN(Cc1cc2c(s1)CCNC2)C1C[NH2+]C1 ZINC000873210299 589995551 /nfs/dbraw/zinc/99/55/51/589995551.db2.gz BKEVSOCGUPICGV-UHFFFAOYSA-N 1 3 237.372 0.797 20 0 BCADHO Nc1cnc(CN[C@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000873212894 589997101 /nfs/dbraw/zinc/99/71/01/589997101.db2.gz RRYVVQQFYOZTRO-BDAKNGLRSA-N 1 3 221.308 0.276 20 0 BCADHO CC(C)([NH3+])CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873215786 589997784 /nfs/dbraw/zinc/99/77/84/589997784.db2.gz FMYRYOHDGDPTLZ-MFDAYCCISA-N 1 3 210.321 0.737 20 0 BCADHO C[C@H](NCc1cnc(N)cn1)C1CC[NH2+]CC1 ZINC000873220059 589998895 /nfs/dbraw/zinc/99/88/95/589998895.db2.gz IOLYBPNMDNYLQJ-VIFPVBQESA-N 1 3 235.335 0.537 20 0 BCADHO CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N)C1 ZINC000873236160 590004904 /nfs/dbraw/zinc/00/49/04/590004904.db2.gz VIYMKUXBLJPBKG-QJPTWQEYSA-N 1 3 241.379 0.301 20 0 BCADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1ccn(C)n1 ZINC000873257116 590011746 /nfs/dbraw/zinc/01/17/46/590011746.db2.gz RUTJDJAPTXAAPI-GUBZILKMSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873297570 590025152 /nfs/dbraw/zinc/02/51/52/590025152.db2.gz YEWCULDRDISGOA-DDHJBXDOSA-N 1 3 212.337 0.735 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)N1CCCNCC1 ZINC000876506008 590204488 /nfs/dbraw/zinc/20/44/88/590204488.db2.gz NIAKWXKKODMPSW-ZJUUUORDSA-N 1 3 225.336 0.182 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876538488 590211629 /nfs/dbraw/zinc/21/16/29/590211629.db2.gz ROJDEKZMHPSPJZ-YUMQZZPRSA-N 1 3 247.289 0.037 20 0 BCADHO CN1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876710407 590232777 /nfs/dbraw/zinc/23/27/77/590232777.db2.gz KBKQEWDFMHJOHR-WDEREUQCSA-N 1 3 239.363 0.570 20 0 BCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000876736511 590234038 /nfs/dbraw/zinc/23/40/38/590234038.db2.gz UYZMVAKQMGLOIV-HATMAXAFSA-N 1 3 239.363 0.464 20 0 BCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000876736514 590234287 /nfs/dbraw/zinc/23/42/87/590234287.db2.gz UYZMVAKQMGLOIV-WBIMAMMNSA-N 1 3 239.363 0.464 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000876831575 590247450 /nfs/dbraw/zinc/24/74/50/590247450.db2.gz HKAAWFWNKRBHID-UKKRHICBSA-N 1 3 243.326 0.143 20 0 BCADHO CN(C)CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876848395 590249578 /nfs/dbraw/zinc/24/95/78/590249578.db2.gz RVTUXDPSNSXYIF-QRGHLMKCSA-N 1 3 225.336 0.220 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876871958 590252017 /nfs/dbraw/zinc/25/20/17/590252017.db2.gz OUEGHHULJCJUTH-WOPDTQHZSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)NC1CC1 ZINC000877021255 590270119 /nfs/dbraw/zinc/27/01/19/590270119.db2.gz DCDOYVPKSSAAKQ-INTQDDNPSA-N 1 3 225.336 0.384 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877094665 590281402 /nfs/dbraw/zinc/28/14/02/590281402.db2.gz BBYIABGSDJPTIW-BDAKNGLRSA-N 1 3 201.314 0.165 20 0 BCADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH3+])N(C)C ZINC000877104352 590284258 /nfs/dbraw/zinc/28/42/58/590284258.db2.gz ANAXTRLUOFWACT-DTWKUNHWSA-N 1 3 201.314 0.132 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000877105875 590285040 /nfs/dbraw/zinc/28/50/40/590285040.db2.gz STXJUFPOQYZCHZ-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877157285 590294025 /nfs/dbraw/zinc/29/40/25/590294025.db2.gz BYSNISYRGVLSMA-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000877176238 590297117 /nfs/dbraw/zinc/29/71/17/590297117.db2.gz NOYNCVUGURSGGP-VGMNWLOBSA-N 1 3 211.309 0.075 20 0 BCADHO CC(C)(N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877192318 590298887 /nfs/dbraw/zinc/29/88/87/590298887.db2.gz LMCSAYRVZMMEBC-UHFFFAOYSA-N 1 3 211.309 0.206 20 0 BCADHO CCCN(C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188113 590298956 /nfs/dbraw/zinc/29/89/56/590298956.db2.gz PGZMSXVTXPJWCP-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242591 590302781 /nfs/dbraw/zinc/30/27/81/590302781.db2.gz GLQASTHHQLWAQM-FIQHERPVSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877244679 590303054 /nfs/dbraw/zinc/30/30/54/590303054.db2.gz JUTYRXDKZXZFFB-HRDYMLBCSA-N 1 3 213.325 0.213 20 0 BCADHO CN(CC(=O)NC[C@H]1C[C@H]([NH3+])C1)CC(C)(C)C ZINC000877244749 590303156 /nfs/dbraw/zinc/30/31/56/590303156.db2.gz NAROLZDEMLJIKS-XYPYZODXSA-N 1 3 241.379 0.818 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000877250926 590303724 /nfs/dbraw/zinc/30/37/24/590303724.db2.gz UISCTNDRLRNODL-ZJUUUORDSA-N 1 3 223.320 0.030 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@@H]21 ZINC000877250926 590303725 /nfs/dbraw/zinc/30/37/25/590303725.db2.gz UISCTNDRLRNODL-ZJUUUORDSA-N 1 3 223.320 0.030 20 0 BCADHO C[N@@H+]1CC[C@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000877250925 590303922 /nfs/dbraw/zinc/30/39/22/590303922.db2.gz UISCTNDRLRNODL-VHSXEESVSA-N 1 3 223.320 0.030 20 0 BCADHO C[N@H+]1CC[C@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000877250925 590303923 /nfs/dbraw/zinc/30/39/23/590303923.db2.gz UISCTNDRLRNODL-VHSXEESVSA-N 1 3 223.320 0.030 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCCC1)C1CC[NH2+]CC1 ZINC000877253139 590304061 /nfs/dbraw/zinc/30/40/61/590304061.db2.gz LFYMGMRLPBGSDS-SNVBAGLBSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CN)C1 ZINC000877259250 590304478 /nfs/dbraw/zinc/30/44/78/590304478.db2.gz BSYXFLCWHUNZSS-NSHDSACASA-N 1 3 213.325 0.169 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877274643 590305315 /nfs/dbraw/zinc/30/53/15/590305315.db2.gz MCTFRNPCSXBXLP-QWRGUYRKSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)N(C)C ZINC000877274878 590305428 /nfs/dbraw/zinc/30/54/28/590305428.db2.gz YJFPZGDBBBMISM-TUAOUCFPSA-N 1 3 239.363 0.680 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877285354 590307082 /nfs/dbraw/zinc/30/70/82/590307082.db2.gz ZXCGXNPMDVYVDG-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO [NH3+]CCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877346836 590319194 /nfs/dbraw/zinc/31/91/94/590319194.db2.gz IQUOIMPDROZBGX-GFCCVEGCSA-N 1 3 233.315 0.166 20 0 BCADHO CC[C@H](C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)N(C)C ZINC000877385546 590320396 /nfs/dbraw/zinc/32/03/96/590320396.db2.gz LKKPMCXKCLWWSR-MDZLAQPJSA-N 1 3 239.363 0.727 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877393149 590322522 /nfs/dbraw/zinc/32/25/22/590322522.db2.gz WDASVUHAHSVEIA-BREBYQMCSA-N 1 3 237.347 0.385 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450964 590329006 /nfs/dbraw/zinc/32/90/06/590329006.db2.gz IVCFKYXEWYGITQ-NAWOPXAZSA-N 1 3 249.358 0.432 20 0 BCADHO CN1CCC2(CC[N@H+](CC[S@](C)=O)C2)CC1 ZINC000878863755 590634174 /nfs/dbraw/zinc/63/41/74/590634174.db2.gz DZGRMJSPJBUBKD-INIZCTEOSA-N 1 3 244.404 0.783 20 0 BCADHO CN1CCC2(CC[N@@H+](CC[S@](C)=O)C2)CC1 ZINC000878863755 590634175 /nfs/dbraw/zinc/63/41/75/590634175.db2.gz DZGRMJSPJBUBKD-INIZCTEOSA-N 1 3 244.404 0.783 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580009 590817833 /nfs/dbraw/zinc/81/78/33/590817833.db2.gz DCFGUYSDARTESU-QJPTWQEYSA-N 1 3 244.404 0.736 20 0 BCADHO CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879580009 590817835 /nfs/dbraw/zinc/81/78/35/590817835.db2.gz DCFGUYSDARTESU-QJPTWQEYSA-N 1 3 244.404 0.736 20 0 BCADHO CN1CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000129766560 591401124 /nfs/dbraw/zinc/40/11/24/591401124.db2.gz HIQBOFJOINKDTQ-NSHDSACASA-N 1 3 225.336 0.324 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000883447052 591670405 /nfs/dbraw/zinc/67/04/05/591670405.db2.gz RNTZUQUGSMQYEO-GHMZBOCLSA-N 1 3 218.316 0.638 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](CF)C1 ZINC000883447052 591670407 /nfs/dbraw/zinc/67/04/07/591670407.db2.gz RNTZUQUGSMQYEO-GHMZBOCLSA-N 1 3 218.316 0.638 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131860209 591672957 /nfs/dbraw/zinc/67/29/57/591672957.db2.gz XVXNZRRLRBIHKC-KXUCPTDWSA-N 1 3 213.325 0.179 20 0 BCADHO CO[C@@H]1COCC[C@@H]1N(C)C[C@@H]1CC[NH2+]C1 ZINC000883461027 591674649 /nfs/dbraw/zinc/67/46/49/591674649.db2.gz MKYYDODJZWPLHJ-GRYCIOLGSA-N 1 3 228.336 0.332 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000132968254 591751597 /nfs/dbraw/zinc/75/15/97/591751597.db2.gz SIHOOBDCXLALAL-KXUCPTDWSA-N 1 3 213.325 0.323 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC([NH3+])CC1 ZINC000884005081 591793005 /nfs/dbraw/zinc/79/30/05/591793005.db2.gz SXKRBTYEOQQCKN-JTQLQIEISA-N 1 3 211.309 0.064 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017641 591800014 /nfs/dbraw/zinc/80/00/14/591800014.db2.gz BJXSRQAASDNGMW-QWRGUYRKSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000884019408 591801156 /nfs/dbraw/zinc/80/11/56/591801156.db2.gz SLEWWYWVIGUMLP-DLOVCJGASA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H](C)N1 ZINC000884030665 591813676 /nfs/dbraw/zinc/81/36/76/591813676.db2.gz VBLHRQNMGDFBPT-NGZCFLSTSA-N 1 3 225.336 0.323 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884031812 591815561 /nfs/dbraw/zinc/81/55/61/591815561.db2.gz ZZWWZYMVOGHFMV-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884033688 591816282 /nfs/dbraw/zinc/81/62/82/591816282.db2.gz REIJDBFSHBIJOP-MVWJERBFSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884036386 591817507 /nfs/dbraw/zinc/81/75/07/591817507.db2.gz UNDYRIONHDNZEX-PWSUYJOCSA-N 1 3 227.352 0.603 20 0 BCADHO CN(C(=O)[C@H](N)CC1CC1)C1CCC([NH3+])CC1 ZINC000884040918 591823041 /nfs/dbraw/zinc/82/30/41/591823041.db2.gz HFZKKRLIUBYEPH-HTAVTVPLSA-N 1 3 239.363 0.842 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H]1CCCN1C ZINC000884198417 591871950 /nfs/dbraw/zinc/87/19/50/591871950.db2.gz WDPGFNZDJGJLSV-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO N[C@H](CC1CC1)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884238365 591877703 /nfs/dbraw/zinc/87/77/03/591877703.db2.gz ZYJCJXHLFYQPNM-VXGBXAGGSA-N 1 3 237.347 0.467 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC1([NH3+])CCC1 ZINC000884247471 591882851 /nfs/dbraw/zinc/88/28/51/591882851.db2.gz VXDHECODSUOYRI-VIFPVBQESA-N 1 3 211.309 0.111 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H]1C ZINC000884271746 591890082 /nfs/dbraw/zinc/89/00/82/591890082.db2.gz JXOPJEQKLKFCGY-GARJFASQSA-N 1 3 239.363 0.441 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000884292080 591895874 /nfs/dbraw/zinc/89/58/74/591895874.db2.gz PXZKDNQEJDCION-QWRGUYRKSA-N 1 3 237.347 0.372 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884292231 591896028 /nfs/dbraw/zinc/89/60/28/591896028.db2.gz UCBIERMLFRFETM-KOLCDFICSA-N 1 3 227.352 0.748 20 0 BCADHO CC1(C)CN(C(=O)[C@H]([NH3+])CC2CC2)CCN1 ZINC000884304951 591901064 /nfs/dbraw/zinc/90/10/64/591901064.db2.gz GSADSLGNIOFYFA-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884338820 591904171 /nfs/dbraw/zinc/90/41/71/591904171.db2.gz TVIOBLNFMCXEIQ-NXEZZACHSA-N 1 3 227.352 0.603 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C[C@H]1C[NH3+] ZINC000884341335 591906980 /nfs/dbraw/zinc/90/69/80/591906980.db2.gz WSAFQPHEDXRSFV-YUSALJHKSA-N 1 3 239.363 0.557 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000884348280 591909585 /nfs/dbraw/zinc/90/95/85/591909585.db2.gz SSJIFGQNSMUMDB-UWVGGRQHSA-N 1 3 239.363 0.890 20 0 BCADHO CC1(C)[C@H](NC(=O)C2(N)CCCCC2)C[C@@H]1[NH3+] ZINC000884348281 591909598 /nfs/dbraw/zinc/90/95/98/591909598.db2.gz SSJIFGQNSMUMDB-VHSXEESVSA-N 1 3 239.363 0.890 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H](N)CC(F)F ZINC000884357917 591912353 /nfs/dbraw/zinc/91/23/53/591912353.db2.gz IMIPCDRUWXDAMW-FSDSQADBSA-N 1 3 235.278 0.211 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358760 591913072 /nfs/dbraw/zinc/91/30/72/591913072.db2.gz XOLXHRSONUOCBH-NXEZZACHSA-N 1 3 227.352 0.569 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H](N)C1CCC1 ZINC000884361432 591914695 /nfs/dbraw/zinc/91/46/95/591914695.db2.gz SHKJQTKVSLFLNA-KXUCPTDWSA-N 1 3 225.336 0.356 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884361556 591914797 /nfs/dbraw/zinc/91/47/97/591914797.db2.gz VAMREUZYMQIANA-LMLFDSFASA-N 1 3 239.363 0.617 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000884364635 591916760 /nfs/dbraw/zinc/91/67/60/591916760.db2.gz UVMJXGRZOVAIQN-KXUCPTDWSA-N 1 3 227.352 0.569 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000884403842 591925289 /nfs/dbraw/zinc/92/52/89/591925289.db2.gz SUYKEDAZHJJVIC-SNVBAGLBSA-N 1 3 225.336 0.502 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000884418442 591929171 /nfs/dbraw/zinc/92/91/71/591929171.db2.gz JPKGCHQRDHSVAA-MXWKQRLJSA-N 1 3 245.342 0.518 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](CN)OC ZINC000884424845 591930486 /nfs/dbraw/zinc/93/04/86/591930486.db2.gz MBRSNQLQCADSFD-JTQLQIEISA-N 1 3 245.367 0.197 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](CN)OC ZINC000884424845 591930489 /nfs/dbraw/zinc/93/04/89/591930489.db2.gz MBRSNQLQCADSFD-JTQLQIEISA-N 1 3 245.367 0.197 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@H](N)CC2CC2)C[NH2+]1 ZINC000884437835 591934507 /nfs/dbraw/zinc/93/45/07/591934507.db2.gz OBBVXIRHISNZEE-FBIMIBRVSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449946 591938154 /nfs/dbraw/zinc/93/81/54/591938154.db2.gz SNGWQEYVYABOGB-NEPJUHHUSA-N 1 3 239.363 0.844 20 0 BCADHO COCC[C@@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000884464675 591943094 /nfs/dbraw/zinc/94/30/94/591943094.db2.gz YBFDEAYGYAMQGY-SNVBAGLBSA-N 1 3 243.351 0.128 20 0 BCADHO COC(=O)[C@H]1CC[C@@H](NCCC[NH+](C)C)C1 ZINC000886489618 592235746 /nfs/dbraw/zinc/23/57/46/592235746.db2.gz MXHCVPVALHDTFQ-WDEREUQCSA-N 1 3 228.336 0.869 20 0 BCADHO CN(C[C@H]1C[C@]12CCOC2)C1CC([NH3+])C1 ZINC000886838323 592359296 /nfs/dbraw/zinc/35/92/96/592359296.db2.gz VJEKRDUEJNWNLJ-YYJSSNLHSA-N 1 3 210.321 0.835 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C[C@H]1C[C@@]13CCOC3)C2 ZINC000886841889 592362677 /nfs/dbraw/zinc/36/26/77/592362677.db2.gz ZKBDVKWXQLZVHZ-XJFOESAGSA-N 1 3 236.359 0.954 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C[C@@H]1C[C@@]12CCOC2 ZINC000886841374 592363651 /nfs/dbraw/zinc/36/36/51/592363651.db2.gz JLPSCWLKLLQGJK-NOOOWODRSA-N 1 3 210.321 0.835 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859968 592372583 /nfs/dbraw/zinc/37/25/83/592372583.db2.gz MDDJTPFFENTYKB-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859968 592372589 /nfs/dbraw/zinc/37/25/89/592372589.db2.gz MDDJTPFFENTYKB-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886859968 592372592 /nfs/dbraw/zinc/37/25/92/592372592.db2.gz MDDJTPFFENTYKB-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])NCC1CC1 ZINC000887350142 592485308 /nfs/dbraw/zinc/48/53/08/592485308.db2.gz VXKCFRAOIGFNMN-UHFFFAOYSA-N 1 3 242.367 0.479 20 0 BCADHO C[C@@H]1CCN(CCNC(=[NH2+])NCC(F)F)C1 ZINC000887353826 592487050 /nfs/dbraw/zinc/48/70/50/592487050.db2.gz DSIVEEYGKIWDIW-MRVPVSSYSA-N 1 3 234.294 0.707 20 0 BCADHO CC(C)(C)NCCNC(=[NH2+])NCC(F)F ZINC000887353809 592487339 /nfs/dbraw/zinc/48/73/39/592487339.db2.gz CSUAFECQGLUWCN-UHFFFAOYSA-N 1 3 222.283 0.754 20 0 BCADHO CN1CC=C(CNC(=[NH2+])NCC2CC2)CC1 ZINC000887356841 592488390 /nfs/dbraw/zinc/48/83/90/592488390.db2.gz RZNUGSPCBNJWPZ-UHFFFAOYSA-N 1 3 222.336 0.772 20 0 BCADHO C[C@@H](CNC(=[NH2+])NCC1CC1)CN(C)C ZINC000887360617 592489459 /nfs/dbraw/zinc/48/94/59/592489459.db2.gz PCRODBDJHBUMHA-VIFPVBQESA-N 1 3 212.341 0.708 20 0 BCADHO [NH3+][C@@H](CC1CC1)C(=O)NCCN1CCCCC1 ZINC000302683926 592551262 /nfs/dbraw/zinc/55/12/62/592551262.db2.gz QSLSVNAPNBRWQL-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217011 634458562 /nfs/dbraw/zinc/45/85/62/634458562.db2.gz DNVQXUFOMJIXBM-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@H]1CCCN1C ZINC000925723183 634461363 /nfs/dbraw/zinc/46/13/63/634461363.db2.gz OIMJNYSNROIZNQ-UTUOFQBUSA-N 1 3 211.353 0.811 20 0 BCADHO CN1CC[C@H](c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000258098139 634565362 /nfs/dbraw/zinc/56/53/62/634565362.db2.gz RXEWJOVHDZXXNO-ZJUUUORDSA-N 1 3 236.319 0.956 20 0 BCADHO CC[C@@H](C)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000229255305 635468001 /nfs/dbraw/zinc/46/80/01/635468001.db2.gz VYSOBWKLKZBVPD-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)N ZINC000251524279 635566082 /nfs/dbraw/zinc/56/60/82/635566082.db2.gz JRAGREYLGPEALV-HBNTYKKESA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)N ZINC000251524279 635566089 /nfs/dbraw/zinc/56/60/89/635566089.db2.gz JRAGREYLGPEALV-HBNTYKKESA-N 1 3 216.325 0.195 20 0 BCADHO CN1CC[C@@H](c2nc([C@@H]3CCC[NH2+]C3)no2)C1 ZINC000258098132 631353239 /nfs/dbraw/zinc/35/32/39/631353239.db2.gz RXEWJOVHDZXXNO-NXEZZACHSA-N 1 3 236.319 0.956 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](N)CC1CC1 ZINC000083355681 631423205 /nfs/dbraw/zinc/42/32/05/631423205.db2.gz VAEMMGPDSCLZHG-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO COC[C@H](CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)OC ZINC000933733587 631494428 /nfs/dbraw/zinc/49/44/28/631494428.db2.gz MQLHPKQFUZUHGS-RWMBFGLXSA-N 1 3 242.363 0.531 20 0 BCADHO COC[C@H](CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)OC ZINC000933733587 631494421 /nfs/dbraw/zinc/49/44/21/631494421.db2.gz MQLHPKQFUZUHGS-RWMBFGLXSA-N 1 3 242.363 0.531 20 0 BCADHO C[C@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000308735721 631558682 /nfs/dbraw/zinc/55/86/82/631558682.db2.gz ZUYYQPGKNOMMSW-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO [NH3+]CCCCCCN1CCCNC(=O)C1 ZINC000308820616 631712021 /nfs/dbraw/zinc/71/20/21/631712021.db2.gz CDUKEENADREBPV-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022713236 631811320 /nfs/dbraw/zinc/81/13/20/631811320.db2.gz IMWYFKIDEAGHCO-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO COC[C@H](C)NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004788 631902974 /nfs/dbraw/zinc/90/29/74/631902974.db2.gz ZUGSSHGJPPXZJF-MNOVXSKESA-N 1 3 242.367 0.477 20 0 BCADHO CN(CC[C@H]1CCC[NH2+]C1)CC(=O)N(C)C ZINC000051919001 632012558 /nfs/dbraw/zinc/01/25/58/632012558.db2.gz GYHRMVXVMKEKQG-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCOC[C@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000168566077 632476107 /nfs/dbraw/zinc/47/61/07/632476107.db2.gz ZYFJCQAREHTESE-OUAUKWLOSA-N 1 3 216.325 0.053 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCCC1 ZINC000086065674 632648335 /nfs/dbraw/zinc/64/83/35/632648335.db2.gz ZHTMPOZQJJQMBY-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCCC1 ZINC000086065671 632648788 /nfs/dbraw/zinc/64/87/88/632648788.db2.gz ZHTMPOZQJJQMBY-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCO ZINC000086500850 632649466 /nfs/dbraw/zinc/64/94/66/632649466.db2.gz YPODRGLJQTVOGU-QWRGUYRKSA-N 1 3 200.326 0.879 20 0 BCADHO CCCN1CCN(C[C@H]([NH3+])CC(F)F)CC1 ZINC000309174016 632663163 /nfs/dbraw/zinc/66/31/63/632663163.db2.gz BIMHGOARUHVUHD-SNVBAGLBSA-N 1 3 235.322 0.997 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H](N)CC1CC1 ZINC000310124417 632702901 /nfs/dbraw/zinc/70/29/01/632702901.db2.gz VZZRHQXUSNJZQD-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310287365 632715808 /nfs/dbraw/zinc/71/58/08/632715808.db2.gz YCXUBYRMPXAIMJ-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310287365 632715812 /nfs/dbraw/zinc/71/58/12/632715812.db2.gz YCXUBYRMPXAIMJ-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO OCC[C@@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000310321530 632724834 /nfs/dbraw/zinc/72/48/34/632724834.db2.gz UYCVYZUIKLBKCR-QWHCGFSZSA-N 1 3 242.363 0.290 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)CC1CC1 ZINC000310486900 632748787 /nfs/dbraw/zinc/74/87/87/632748787.db2.gz GRWLNXCCOQQOBA-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000052041384 632780396 /nfs/dbraw/zinc/78/03/96/632780396.db2.gz MJQXORKNMDDIIQ-SNVBAGLBSA-N 1 3 210.325 0.747 20 0 BCADHO C[C@@H]1CN(CC(=O)N(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000122291520 633186195 /nfs/dbraw/zinc/18/61/95/633186195.db2.gz BVRNVUKXYYMBLF-GHMZBOCLSA-N 1 3 239.363 0.524 20 0 BCADHO CC(C)CNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000122297640 633198955 /nfs/dbraw/zinc/19/89/55/633198955.db2.gz AANNFPAGAOUKDM-NWDGAFQWSA-N 1 3 241.379 0.675 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCF)C2)C1 ZINC001019772558 633790223 /nfs/dbraw/zinc/79/02/23/633790223.db2.gz KGBXZQXTUFDMOM-MNOVXSKESA-N 1 3 243.326 0.098 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCF)C2)C1 ZINC001019772558 633790227 /nfs/dbraw/zinc/79/02/27/633790227.db2.gz KGBXZQXTUFDMOM-MNOVXSKESA-N 1 3 243.326 0.098 20 0 BCADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC23CCC3)C1 ZINC000925684665 634294921 /nfs/dbraw/zinc/29/49/21/634294921.db2.gz IRMIMJZFMLXORM-OUAUKWLOSA-N 1 3 237.347 0.515 20 0 BCADHO CO[C@H](C)[C@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792936 635324311 /nfs/dbraw/zinc/32/43/11/635324311.db2.gz XCKISMFDRQGOOS-YTWAJWBKSA-N 1 3 200.326 0.855 20 0 BCADHO C[C@H](NCCO[C@@H]1CCOC1)[C@H]1CCC[NH2+]C1 ZINC000925874405 635595798 /nfs/dbraw/zinc/59/57/98/635595798.db2.gz JIZFZAQIGIYQPT-RWMBFGLXSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCc2nnn(C)c2C1 ZINC000925892887 635618035 /nfs/dbraw/zinc/61/80/35/635618035.db2.gz HFFGIBINYQCQLZ-LPEHRKFASA-N 1 3 237.351 0.388 20 0 BCADHO C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C)CCN1C ZINC000925324245 636869499 /nfs/dbraw/zinc/86/94/99/636869499.db2.gz BNZLDTPEBXFYCQ-WDEREUQCSA-N 1 3 242.367 0.282 20 0 BCADHO CCO[C@H](CN[C@H](CC)COC)C[NH+](C)C ZINC000926959322 636970291 /nfs/dbraw/zinc/97/02/91/636970291.db2.gz AVNCOILEHGZDHX-VXGBXAGGSA-N 1 3 232.368 0.968 20 0 BCADHO CN1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CN)CCC1=O ZINC000089146600 636904123 /nfs/dbraw/zinc/90/41/23/636904123.db2.gz SWFMGFZMEUDIFH-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CNCCO3)CC[C@H]21 ZINC000866704755 636934095 /nfs/dbraw/zinc/93/40/95/636934095.db2.gz XKZFLEQCCMCGMT-JHJVBQTASA-N 1 3 239.363 0.001 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CNCCO3)CC[C@H]21 ZINC000866704755 636934099 /nfs/dbraw/zinc/93/40/99/636934099.db2.gz XKZFLEQCCMCGMT-JHJVBQTASA-N 1 3 239.363 0.001 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCOC1 ZINC000924779236 637230481 /nfs/dbraw/zinc/23/04/81/637230481.db2.gz YGWNEPVSQPYFGR-ACJTYDJDSA-N 1 3 224.348 0.953 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NCCOCCO)C1 ZINC000902363788 637301562 /nfs/dbraw/zinc/30/15/62/637301562.db2.gz NJXRFPWJGJFUIQ-NSHDSACASA-N 1 3 230.352 0.363 20 0 BCADHO N[C@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000903551320 637370102 /nfs/dbraw/zinc/37/01/02/637370102.db2.gz FHGVDZOGHXMAHV-SDDRHHMPSA-N 1 3 210.321 0.836 20 0 BCADHO N[C@H]1CCC[N@@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000903551320 637370111 /nfs/dbraw/zinc/37/01/11/637370111.db2.gz FHGVDZOGHXMAHV-SDDRHHMPSA-N 1 3 210.321 0.836 20 0 BCADHO Cc1nc(CC2CCN(CCC[NH3+])CC2)no1 ZINC000903566230 637372087 /nfs/dbraw/zinc/37/20/87/637372087.db2.gz MKQLNFAOEYRQAF-UHFFFAOYSA-N 1 3 238.335 0.981 20 0 BCADHO CC(C)C[C@@H](N)C[NH2+][C@@]1(C)CCNC1=O ZINC000904469278 637423423 /nfs/dbraw/zinc/42/34/23/637423423.db2.gz LANRRQQEUOKYGI-KOLCDFICSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]([NH3+])Cn1cc(CNC(C)(C)C)nn1 ZINC000905057078 637590953 /nfs/dbraw/zinc/59/09/53/637590953.db2.gz JUJBOUNJXPNBCV-QMMMGPOBSA-N 1 3 211.313 0.513 20 0 BCADHO C[N@H+](C[C@H](O)CNCC[C@H](O)C1CC1)C1CC1 ZINC000905689488 637883875 /nfs/dbraw/zinc/88/38/75/637883875.db2.gz ARWXIABBWKRXAE-OLZOCXBDSA-N 1 3 242.363 0.192 20 0 BCADHO C[N@@H+](C[C@H](O)CNCC[C@H](O)C1CC1)C1CC1 ZINC000905689488 637883881 /nfs/dbraw/zinc/88/38/81/637883881.db2.gz ARWXIABBWKRXAE-OLZOCXBDSA-N 1 3 242.363 0.192 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000906091386 638047539 /nfs/dbraw/zinc/04/75/39/638047539.db2.gz FBNOQJRCJYOQOT-GMTAPVOTSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000906092194 638050098 /nfs/dbraw/zinc/05/00/98/638050098.db2.gz UPIPMFDCNKRXJO-IWSPIJDZSA-N 1 3 201.314 0.212 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000906091522 638048385 /nfs/dbraw/zinc/04/83/85/638048385.db2.gz IMEJNBYVFHPDPJ-GMTAPVOTSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000906091980 638049212 /nfs/dbraw/zinc/04/92/12/638049212.db2.gz RJSASJYUNOAJFW-OUAUKWLOSA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H](N)CC(C)C)CC[C@@H]1[NH3+] ZINC000906091922 638049710 /nfs/dbraw/zinc/04/97/10/638049710.db2.gz PQWOCJKUDJZEPT-SDDRHHMPSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000906092021 638049898 /nfs/dbraw/zinc/04/98/98/638049898.db2.gz SCVXTOXHTFCQNP-HBNTYKKESA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+][C@H]1C[C@H](NCc2nc3c(s2)CNCC3)C1 ZINC000906517989 638188216 /nfs/dbraw/zinc/18/82/16/638188216.db2.gz MECHMBRNBGOYQQ-ZKCHVHJHSA-N 1 3 238.360 0.368 20 0 BCADHO CCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000910473486 639464492 /nfs/dbraw/zinc/46/44/92/639464492.db2.gz GEWJVJUEFJHEKT-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911623986 639684601 /nfs/dbraw/zinc/68/46/01/639684601.db2.gz PDWQKOSTXFUQJV-DCAQKATOSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911623987 639685341 /nfs/dbraw/zinc/68/53/41/639685341.db2.gz PDWQKOSTXFUQJV-GARJFASQSA-N 1 3 227.352 0.700 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911674993 639714366 /nfs/dbraw/zinc/71/43/66/639714366.db2.gz ZGGXQDVMQGWLSU-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911674994 639714729 /nfs/dbraw/zinc/71/47/29/639714729.db2.gz ZGGXQDVMQGWLSU-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)C[C@@H](C)CC ZINC000911688992 639727193 /nfs/dbraw/zinc/72/71/93/639727193.db2.gz XVILUTATHHMGNJ-QWRGUYRKSA-N 1 3 229.368 0.866 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692587 639728567 /nfs/dbraw/zinc/72/85/67/639728567.db2.gz TWGDYTMGJIKDGM-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NCC[NH2+]C ZINC000911749171 639775627 /nfs/dbraw/zinc/77/56/27/639775627.db2.gz XLTCHRVCIIGXCA-BDAKNGLRSA-N 1 3 201.314 0.086 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750978 639776800 /nfs/dbraw/zinc/77/68/00/639776800.db2.gz HJUDXEBLCVRYIG-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762065 639789128 /nfs/dbraw/zinc/78/91/28/639789128.db2.gz KVFWWLLLYZSXDQ-DTWKUNHWSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911788879 639806122 /nfs/dbraw/zinc/80/61/22/639806122.db2.gz SHAZPHISFRVDFX-HBNTYKKESA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)NCCN1CCCC1 ZINC000035663370 639811674 /nfs/dbraw/zinc/81/16/74/639811674.db2.gz MIGYCXIDUDGFHM-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccccc2C[NH3+])C[C@H](C)N1 ZINC000911795721 639819115 /nfs/dbraw/zinc/81/91/15/639819115.db2.gz KUISYYGHJAFFJN-PHIMTYICSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@H]1CN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)C[C@H](C)N1 ZINC000911797011 639819528 /nfs/dbraw/zinc/81/95/28/639819528.db2.gz PVJJVLNFPIHOFJ-KQXIARHKSA-N 1 3 237.347 0.337 20 0 BCADHO CSCC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000911799170 639821398 /nfs/dbraw/zinc/82/13/98/639821398.db2.gz FVWHKRTUPHYFDA-SECBINFHSA-N 1 3 245.392 0.455 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911833324 639845153 /nfs/dbraw/zinc/84/51/53/639845153.db2.gz KRVJWZFYDZWKED-NWDGAFQWSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911845809 639854694 /nfs/dbraw/zinc/85/46/94/639854694.db2.gz DJUJQZJZIMJDKD-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCCCC(=O)N1CCNCC1(C)C ZINC000911847708 639856669 /nfs/dbraw/zinc/85/66/69/639856669.db2.gz SMEPVIGKOXCRQR-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH+](C)[C@@H]1[C@H]2CN(CC3(O)CCOCC3)C[C@H]21 ZINC000931276399 640127079 /nfs/dbraw/zinc/12/70/79/640127079.db2.gz HLSAAPDCGCTBMV-GDNZZTSVSA-N 1 3 240.347 0.020 20 0 BCADHO Cn1cc(CCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cn1 ZINC000931439236 640205037 /nfs/dbraw/zinc/20/50/37/640205037.db2.gz NLKKDFAMJWMVDR-KGLIPLIRSA-N 1 3 248.374 0.846 20 0 BCADHO Cn1cc(CCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cn1 ZINC000931439236 640205047 /nfs/dbraw/zinc/20/50/47/640205047.db2.gz NLKKDFAMJWMVDR-KGLIPLIRSA-N 1 3 248.374 0.846 20 0 BCADHO CC[C@H](CO)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000931547289 640265379 /nfs/dbraw/zinc/26/53/79/640265379.db2.gz QDFPZAGINTZPPP-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](CO)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000931547289 640265385 /nfs/dbraw/zinc/26/53/85/640265385.db2.gz QDFPZAGINTZPPP-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO CNC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000044987639 640478960 /nfs/dbraw/zinc/47/89/60/640478960.db2.gz UUQXQBGMQDQPKO-FGWVZKOKSA-N 1 3 225.336 0.337 20 0 BCADHO CNC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000044987639 640478962 /nfs/dbraw/zinc/47/89/62/640478962.db2.gz UUQXQBGMQDQPKO-FGWVZKOKSA-N 1 3 225.336 0.337 20 0 BCADHO CCOC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000225865731 640712879 /nfs/dbraw/zinc/71/28/79/640712879.db2.gz CISVCRYDICWQSD-WDEREUQCSA-N 1 3 216.325 0.055 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)C1(N)CC2(CCC2)C1 ZINC000877104317 640751797 /nfs/dbraw/zinc/75/17/97/640751797.db2.gz AAGCUHHQEPILRE-SECBINFHSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2cnn(C)c2)C1 ZINC000226539943 640773661 /nfs/dbraw/zinc/77/36/61/640773661.db2.gz VYXREODAAHPIOT-ZYHUDNBSSA-N 1 3 222.336 0.632 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000228532290 640878582 /nfs/dbraw/zinc/87/85/82/640878582.db2.gz XTSSTOLYHNXFKC-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO CCC[C@H](N)c1cn(CC[NH+](C)C)nn1 ZINC000229959020 640996110 /nfs/dbraw/zinc/99/61/10/640996110.db2.gz ZLZZCTLKUQLBNX-VIFPVBQESA-N 1 3 211.313 0.640 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)c1cccc(C[NH3+])c1 ZINC000230418623 641054347 /nfs/dbraw/zinc/05/43/47/641054347.db2.gz NKZSBJZSUTZHMI-CYBMUJFWSA-N 1 3 247.342 0.969 20 0 BCADHO CC(C)([NH3+])C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973318 641113651 /nfs/dbraw/zinc/11/36/51/641113651.db2.gz TYXJYVLSSLZBKB-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973397 641114035 /nfs/dbraw/zinc/11/40/35/641114035.db2.gz FPSSOXBMARVRQN-MNOVXSKESA-N 1 3 225.336 0.420 20 0 BCADHO C[NH+](C)CCOCCNCc1ccoc1 ZINC000231676441 641193687 /nfs/dbraw/zinc/19/36/87/641193687.db2.gz CQQLHURRXWZYJE-UHFFFAOYSA-N 1 3 212.293 0.947 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714244327 711504117 /nfs/dbraw/zinc/50/41/17/711504117.db2.gz HONQEYXNQFYDHP-VLEAKVRGSA-N 1 3 246.376 0.422 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156150980 641596945 /nfs/dbraw/zinc/59/69/45/641596945.db2.gz CJBNMXFCDQRIMV-GRYCIOLGSA-N 1 3 241.379 0.946 20 0 BCADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833660 641614154 /nfs/dbraw/zinc/61/41/54/641614154.db2.gz BHBUPWOXQVLCFX-QWRGUYRKSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833660 641614158 /nfs/dbraw/zinc/61/41/58/641614158.db2.gz BHBUPWOXQVLCFX-QWRGUYRKSA-N 1 3 237.347 0.420 20 0 BCADHO CN(CC1CC[NH+](C)CC1)[C@@H]1CCN(C)C1=O ZINC000154706950 642188132 /nfs/dbraw/zinc/18/81/32/642188132.db2.gz OSFZNDBURHZDIC-GFCCVEGCSA-N 1 3 239.363 0.491 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000068890904 642807375 /nfs/dbraw/zinc/80/73/75/642807375.db2.gz JRAGREYLGPEALV-DCAQKATOSA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000068890904 642807380 /nfs/dbraw/zinc/80/73/80/642807380.db2.gz JRAGREYLGPEALV-DCAQKATOSA-N 1 3 216.325 0.195 20 0 BCADHO [NH3+]CCC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000069730189 642898303 /nfs/dbraw/zinc/89/83/03/642898303.db2.gz CTRWKNCSVAMVOJ-SECBINFHSA-N 1 3 240.269 0.970 20 0 BCADHO CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018616243 643004157 /nfs/dbraw/zinc/00/41/57/643004157.db2.gz LQHCUTXHFITOPB-NWDGAFQWSA-N 1 3 239.363 0.680 20 0 BCADHO COC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000070589080 643044545 /nfs/dbraw/zinc/04/45/45/643044545.db2.gz MFNGLCOSSYTEAE-YATPEIPISA-N 1 3 228.336 0.209 20 0 BCADHO COC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000070589080 643044552 /nfs/dbraw/zinc/04/45/52/643044552.db2.gz MFNGLCOSSYTEAE-YATPEIPISA-N 1 3 228.336 0.209 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000306113862 643301364 /nfs/dbraw/zinc/30/13/64/643301364.db2.gz XRBNYSRTUXTHNK-LBPRGKRZSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])C1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000082679992 643365656 /nfs/dbraw/zinc/36/56/56/643365656.db2.gz OLSKMGRLEASOHR-IONNQARKSA-N 1 3 240.269 0.969 20 0 BCADHO C[C@@H](O)CN(CC[NH3+])C1CCCCC1 ZINC000083677595 643542172 /nfs/dbraw/zinc/54/21/72/643542172.db2.gz IVJZDXLUTJSTIN-SNVBAGLBSA-N 1 3 200.326 0.961 20 0 BCADHO CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970879490 643583952 /nfs/dbraw/zinc/58/39/52/643583952.db2.gz ZCSJNWRVVROHTB-MNOVXSKESA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970879490 643583962 /nfs/dbraw/zinc/58/39/62/643583962.db2.gz ZCSJNWRVVROHTB-MNOVXSKESA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970879492 643585981 /nfs/dbraw/zinc/58/59/81/643585981.db2.gz ZCSJNWRVVROHTB-WDEREUQCSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970879492 643585990 /nfs/dbraw/zinc/58/59/90/643585990.db2.gz ZCSJNWRVVROHTB-WDEREUQCSA-N 1 3 239.363 0.395 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000084221175 643651788 /nfs/dbraw/zinc/65/17/88/643651788.db2.gz XMPGSXFHLKWICO-WDEREUQCSA-N 1 3 227.352 0.620 20 0 BCADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000084221175 643651795 /nfs/dbraw/zinc/65/17/95/643651795.db2.gz XMPGSXFHLKWICO-WDEREUQCSA-N 1 3 227.352 0.620 20 0 BCADHO CCO[C@H](C[NH2+][C@@H]1CN(C)C[C@H]1C)CN(C)C ZINC000922757757 644088381 /nfs/dbraw/zinc/08/83/81/644088381.db2.gz LSVRYJJIQSCPBN-JHJVBQTASA-N 1 3 243.395 0.493 20 0 BCADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCO ZINC000086500855 644144611 /nfs/dbraw/zinc/14/46/11/644144611.db2.gz YPODRGLJQTVOGU-GHMZBOCLSA-N 1 3 200.326 0.879 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000923279170 644311417 /nfs/dbraw/zinc/31/14/17/644311417.db2.gz GWWNIUQPNKRFBA-MXWKQRLJSA-N 1 3 232.393 0.912 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000923279170 644311422 /nfs/dbraw/zinc/31/14/22/644311422.db2.gz GWWNIUQPNKRFBA-MXWKQRLJSA-N 1 3 232.393 0.912 20 0 BCADHO CC(C)OCC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923279477 644312119 /nfs/dbraw/zinc/31/21/19/644312119.db2.gz CCMCKCIGQQROPY-CHWSQXEVSA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)COC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923282573 644317557 /nfs/dbraw/zinc/31/75/57/644317557.db2.gz VWEIZYOGXMNXIE-NEPJUHHUSA-N 1 3 230.352 0.301 20 0 BCADHO CCOCC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923282528 644317834 /nfs/dbraw/zinc/31/78/34/644317834.db2.gz VKBZOBVLSCVCOL-GHMZBOCLSA-N 1 3 216.325 0.055 20 0 BCADHO CCOCC[C@@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923282533 644318134 /nfs/dbraw/zinc/31/81/34/644318134.db2.gz VKBZOBVLSCVCOL-WDEREUQCSA-N 1 3 216.325 0.055 20 0 BCADHO CCOCC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923282768 644318586 /nfs/dbraw/zinc/31/85/86/644318586.db2.gz XQMTUKVHIACEIF-VXGBXAGGSA-N 1 3 230.352 0.445 20 0 BCADHO C[C@@](C[NH3+])(NCCO[C@H]1CCOC1)C1CC1 ZINC000923295758 644331810 /nfs/dbraw/zinc/33/18/10/644331810.db2.gz GLCLKUGFNGDBPV-RYUDHWBXSA-N 1 3 228.336 0.509 20 0 BCADHO CCOCCOCCN(C)CC(C)(C)C[NH3+] ZINC000923294930 644332321 /nfs/dbraw/zinc/33/23/21/644332321.db2.gz QNWKUYVZMCWZLY-UHFFFAOYSA-N 1 3 232.368 0.956 20 0 BCADHO CCOC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923295726 644332456 /nfs/dbraw/zinc/33/24/56/644332456.db2.gz FSZJIUBEKFTBFZ-MNOVXSKESA-N 1 3 218.341 0.347 20 0 BCADHO CC(C)COC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296308 644334392 /nfs/dbraw/zinc/33/43/92/644334392.db2.gz QKJHHLKWURZEMJ-CHWSQXEVSA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296033 644334548 /nfs/dbraw/zinc/33/45/48/644334548.db2.gz NLIMHIFEVXZPOW-NWDGAFQWSA-N 1 3 232.368 0.735 20 0 BCADHO CSC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923297071 644334772 /nfs/dbraw/zinc/33/47/72/644334772.db2.gz XNSPFLVHZVBNGB-NXEZZACHSA-N 1 3 218.366 0.427 20 0 BCADHO CC(C)OC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923309282 644345566 /nfs/dbraw/zinc/34/55/66/644345566.db2.gz JJVFEEKIGAWDRW-DRZSPHRISA-N 1 3 242.363 0.726 20 0 BCADHO CCOCCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000923330858 644350656 /nfs/dbraw/zinc/35/06/56/644350656.db2.gz CPHVHGZRGYECBS-RWMBFGLXSA-N 1 3 242.363 0.709 20 0 BCADHO CCOCCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000923330860 644350728 /nfs/dbraw/zinc/35/07/28/644350728.db2.gz CPHVHGZRGYECBS-XQQFMLRXSA-N 1 3 242.363 0.709 20 0 BCADHO CC[C@@H]1CN(C[C@@H](O)CSC)CC[C@@H]1[NH3+] ZINC000923344318 644364727 /nfs/dbraw/zinc/36/47/27/644364727.db2.gz GHMBKYPGYNUVCM-MXWKQRLJSA-N 1 3 232.393 0.770 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923333194 644355665 /nfs/dbraw/zinc/35/56/65/644355665.db2.gz VLQVLOHXSBSURT-RWMBFGLXSA-N 1 3 244.379 0.689 20 0 BCADHO CC[C@H]1CN(C[C@H](O)COC)CC[C@H]1[NH3+] ZINC000923343466 644363228 /nfs/dbraw/zinc/36/32/28/644363228.db2.gz BXYXYMQGJFHTTF-GARJFASQSA-N 1 3 216.325 0.053 20 0 BCADHO CC[C@@H]1CN(C[C@@H](O)CSC)CC[C@H]1[NH3+] ZINC000923344316 644364501 /nfs/dbraw/zinc/36/45/01/644364501.db2.gz GHMBKYPGYNUVCM-GMTAPVOTSA-N 1 3 232.393 0.770 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000923345869 644365911 /nfs/dbraw/zinc/36/59/11/644365911.db2.gz QVMBVYORMHYUJS-AGIUHOORSA-N 1 3 244.379 0.833 20 0 BCADHO NCC(C[NH3+])NCc1ccccc1OC(F)F ZINC000923352105 644369210 /nfs/dbraw/zinc/36/92/10/644369210.db2.gz LTXCAHLUJLMIHR-UHFFFAOYSA-N 1 3 245.273 0.664 20 0 BCADHO Cc1cccc(OCCNC(CN)C[NH3+])c1 ZINC000923353120 644369401 /nfs/dbraw/zinc/36/94/01/644369401.db2.gz TZYAWRZTZSWLET-UHFFFAOYSA-N 1 3 223.320 0.249 20 0 BCADHO CC(C)COC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923354256 644370644 /nfs/dbraw/zinc/37/06/44/644370644.db2.gz BAQUTOMSDNEPBH-STQMWFEESA-N 1 3 244.379 0.691 20 0 BCADHO NCC(CN)[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000923356334 644371711 /nfs/dbraw/zinc/37/17/11/644371711.db2.gz KZDCTFKQOVLTSL-LLVKDONJSA-N 1 3 227.352 0.211 20 0 BCADHO CC(C)OCC[C@@H](O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000923355189 644373397 /nfs/dbraw/zinc/37/33/97/644373397.db2.gz HIMZHQYEFZQPEP-OLZOCXBDSA-N 1 3 244.379 0.833 20 0 BCADHO COC[C@H](O)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364226 644374576 /nfs/dbraw/zinc/37/45/76/644374576.db2.gz JXKLQNKVLCLTFP-YNEHKIRRSA-N 1 3 242.363 0.458 20 0 BCADHO COC[C@@H](O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364221 644374809 /nfs/dbraw/zinc/37/48/09/644374809.db2.gz JXKLQNKVLCLTFP-FRRDWIJNSA-N 1 3 242.363 0.458 20 0 BCADHO COC[C@@H](O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364219 644374959 /nfs/dbraw/zinc/37/49/59/644374959.db2.gz JXKLQNKVLCLTFP-AGIUHOORSA-N 1 3 242.363 0.458 20 0 BCADHO COC[C@H](O)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364224 644376576 /nfs/dbraw/zinc/37/65/76/644376576.db2.gz JXKLQNKVLCLTFP-UPJWGTAASA-N 1 3 242.363 0.458 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923366957 644377788 /nfs/dbraw/zinc/37/77/88/644377788.db2.gz BNKXIHIDXDGJAL-QWRGUYRKSA-N 1 3 232.368 0.735 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC[C@@H](O)Cn1cccn1 ZINC000923366866 644377859 /nfs/dbraw/zinc/37/78/59/644377859.db2.gz ABYJWQWQIIFKEY-GHMZBOCLSA-N 1 3 240.351 0.207 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H](O)Cn1cccn1 ZINC000923366872 644378060 /nfs/dbraw/zinc/37/80/60/644378060.db2.gz ABYJWQWQIIFKEY-WDEREUQCSA-N 1 3 240.351 0.207 20 0 BCADHO CC[C@H](O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366747 644378410 /nfs/dbraw/zinc/37/84/10/644378410.db2.gz QBWQIZHWVTZSMV-RYUDHWBXSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCO[C@H]1CCOC1 ZINC000923368237 644380805 /nfs/dbraw/zinc/38/08/05/644380805.db2.gz OJPXCKFOICBMPK-WDEREUQCSA-N 1 3 230.352 0.755 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000923371276 644383477 /nfs/dbraw/zinc/38/34/77/644383477.db2.gz WTADKBGOHUEWRW-RYUDHWBXSA-N 1 3 244.379 0.750 20 0 BCADHO CC(C)OC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000923371276 644383482 /nfs/dbraw/zinc/38/34/82/644383482.db2.gz WTADKBGOHUEWRW-RYUDHWBXSA-N 1 3 244.379 0.750 20 0 BCADHO CSC[C@H](O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000923374816 644388075 /nfs/dbraw/zinc/38/80/75/644388075.db2.gz CSVRVCCZLCOCCM-HBNTYKKESA-N 1 3 232.393 0.627 20 0 BCADHO CSC[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000923374814 644390102 /nfs/dbraw/zinc/39/01/02/644390102.db2.gz CSVRVCCZLCOCCM-GARJFASQSA-N 1 3 232.393 0.627 20 0 BCADHO COC[C@@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413909 644416309 /nfs/dbraw/zinc/41/63/09/644416309.db2.gz JWJJLOUAQSJYCH-WOPDTQHZSA-N 1 3 228.336 0.068 20 0 BCADHO CSC[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923414218 644417035 /nfs/dbraw/zinc/41/70/35/644417035.db2.gz KKNDQUIPQOCZGS-TUAOUCFPSA-N 1 3 244.404 0.784 20 0 BCADHO C[C@H](O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426884 644421149 /nfs/dbraw/zinc/42/11/49/644421149.db2.gz HRCNTADNTCHGON-NWDGAFQWSA-N 1 3 212.337 0.833 20 0 BCADHO CN1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000084381678 644423328 /nfs/dbraw/zinc/42/33/28/644423328.db2.gz HMBGABXKCQEGGK-NSHDSACASA-N 1 3 225.336 0.150 20 0 BCADHO C([C@H]1CCCCO1)N1CCNCC[NH2+]CC1 ZINC000923460320 644437170 /nfs/dbraw/zinc/43/71/70/644437170.db2.gz MKRSOOFVMJOLTP-GFCCVEGCSA-N 1 3 227.352 0.050 20 0 BCADHO FC1(F)CC[C@@H](CN2CCNCC[NH2+]CC2)C1 ZINC000923459803 644438446 /nfs/dbraw/zinc/43/84/46/644438446.db2.gz HARUZRNJIZSFQU-LLVKDONJSA-N 1 3 247.333 0.917 20 0 BCADHO FC1(F)CC[C@@H](C[NH+]2CCNCCNCC2)C1 ZINC000923459803 644438450 /nfs/dbraw/zinc/43/84/50/644438450.db2.gz HARUZRNJIZSFQU-LLVKDONJSA-N 1 3 247.333 0.917 20 0 BCADHO FCCCCCN1CCNCC[NH2+]CC1 ZINC000923459195 644440529 /nfs/dbraw/zinc/44/05/29/644440529.db2.gz DANFTQYXTOKOHJ-UHFFFAOYSA-N 1 3 217.332 0.621 20 0 BCADHO FCCCCC[NH+]1CCNCCNCC1 ZINC000923459195 644440530 /nfs/dbraw/zinc/44/05/30/644440530.db2.gz DANFTQYXTOKOHJ-UHFFFAOYSA-N 1 3 217.332 0.621 20 0 BCADHO C(CC1CC1)CN1CCNCC[NH2+]CC1 ZINC000923459984 644442392 /nfs/dbraw/zinc/44/23/92/644442392.db2.gz IYQPIEXMPWEURK-UHFFFAOYSA-N 1 3 211.353 0.671 20 0 BCADHO CON1CC[C@H](N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923492248 644467088 /nfs/dbraw/zinc/46/70/88/644467088.db2.gz MLLGRVKQUJLQNW-DCAQKATOSA-N 1 3 241.335 0.065 20 0 BCADHO C[C@@H]1CN(Cc2ccnn2C)CC[C@H]1C[NH3+] ZINC000923491440 644467938 /nfs/dbraw/zinc/46/79/38/644467938.db2.gz RWYPOZOWDSNGIU-MNOVXSKESA-N 1 3 222.336 0.837 20 0 BCADHO [NH3+]CCCN1CCC([C@H]2COC(=O)N2)CC1 ZINC000923527148 644484980 /nfs/dbraw/zinc/48/49/80/644484980.db2.gz YWXYTCHZGAEGHR-SNVBAGLBSA-N 1 3 227.308 0.156 20 0 BCADHO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000089747483 644564085 /nfs/dbraw/zinc/56/40/85/644564085.db2.gz ZBYAEIIPXFZMDY-WDEREUQCSA-N 1 3 237.347 0.339 20 0 BCADHO Cc1cc(N2CCC([NH+](C)C)CC2)nc(N)n1 ZINC000091015644 644610516 /nfs/dbraw/zinc/61/05/16/644610516.db2.gz NINUVMYFGHKHPN-UHFFFAOYSA-N 1 3 235.335 0.898 20 0 BCADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCOCCO ZINC000093514073 644694570 /nfs/dbraw/zinc/69/45/70/644694570.db2.gz VLRKYZKPGBKTLP-QWHCGFSZSA-N 1 3 244.379 0.896 20 0 BCADHO C[C@H]1CN(CC(=O)N2CCCC2)CC[C@H]1C[NH3+] ZINC000251922696 644830829 /nfs/dbraw/zinc/83/08/29/644830829.db2.gz YBXYSARATSPUSO-RYUDHWBXSA-N 1 3 239.363 0.526 20 0 BCADHO [NH3+][C@@H](CC1CC1)C(=O)NCCN1CCCC1 ZINC000304398205 644900827 /nfs/dbraw/zinc/90/08/27/644900827.db2.gz VHBVAXOBQAEMAG-NSHDSACASA-N 1 3 225.336 0.326 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000304414952 644905525 /nfs/dbraw/zinc/90/55/25/644905525.db2.gz YTWDGVGTCLHRAG-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000304414952 644905528 /nfs/dbraw/zinc/90/55/28/644905528.db2.gz YTWDGVGTCLHRAG-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO C[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC1CC1 ZINC000304414952 644905533 /nfs/dbraw/zinc/90/55/33/644905533.db2.gz YTWDGVGTCLHRAG-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO CCOC[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253203207 644943844 /nfs/dbraw/zinc/94/38/44/644943844.db2.gz ZGXHTAFNRKJBLS-IJLUTSLNSA-N 1 3 230.352 0.301 20 0 BCADHO CC[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326190 645283688 /nfs/dbraw/zinc/28/36/88/645283688.db2.gz FCJPSTVFDVVNRM-GFCCVEGCSA-N 1 3 235.331 0.541 20 0 BCADHO NCC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000844189349 645316248 /nfs/dbraw/zinc/31/62/48/645316248.db2.gz KVTHVISKUPHKBP-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)c1cnn(C)n1 ZINC000926665775 645345308 /nfs/dbraw/zinc/34/53/08/645345308.db2.gz LXNUMCVSHDIFHL-MXWKQRLJSA-N 1 3 237.351 0.806 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C/C=C\CO ZINC000926688369 645357449 /nfs/dbraw/zinc/35/74/49/645357449.db2.gz HQJVHSYPOGGZPT-DEGWXDDOSA-N 1 3 210.321 0.465 20 0 BCADHO CCOCCOCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000929638315 646216925 /nfs/dbraw/zinc/21/69/25/646216925.db2.gz WSDUENPIENJZPO-CYBMUJFWSA-N 1 3 244.379 0.923 20 0 BCADHO CCOCCOCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000929638315 646216929 /nfs/dbraw/zinc/21/69/29/646216929.db2.gz WSDUENPIENJZPO-CYBMUJFWSA-N 1 3 244.379 0.923 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCCO[C@H]1CCOC1 ZINC000925550557 646330016 /nfs/dbraw/zinc/33/00/16/646330016.db2.gz BNQPHIKWFMCYBY-RWMBFGLXSA-N 1 3 242.363 0.912 20 0 BCADHO C[C@@H](O)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925609742 646356838 /nfs/dbraw/zinc/35/68/38/646356838.db2.gz CZUCTKDCFZEYDY-ZNSHCXBVSA-N 1 3 212.337 0.733 20 0 BCADHO C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCCN[C@@H]2C1(C)C ZINC000925609742 646356843 /nfs/dbraw/zinc/35/68/43/646356843.db2.gz CZUCTKDCFZEYDY-ZNSHCXBVSA-N 1 3 212.337 0.733 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000929848468 646357552 /nfs/dbraw/zinc/35/75/52/646357552.db2.gz SJVWFSQPQMNIHD-QNWHQSFQSA-N 1 3 242.363 0.144 20 0 BCADHO C[C@H](O)[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000929848468 646357558 /nfs/dbraw/zinc/35/75/58/646357558.db2.gz SJVWFSQPQMNIHD-QNWHQSFQSA-N 1 3 242.363 0.144 20 0 BCADHO OCCN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925613609 646361957 /nfs/dbraw/zinc/36/19/57/646361957.db2.gz ZUUQLHDECIOAJN-VXGBXAGGSA-N 1 3 212.337 0.737 20 0 BCADHO OCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925613609 646361961 /nfs/dbraw/zinc/36/19/61/646361961.db2.gz ZUUQLHDECIOAJN-VXGBXAGGSA-N 1 3 212.337 0.737 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@]1(O)CCOC1 ZINC000925625461 646372510 /nfs/dbraw/zinc/37/25/10/646372510.db2.gz FNKCOGVWEVDNNI-ZGVCCVRISA-N 1 3 240.347 0.068 20 0 BCADHO [NH3+][C@@H]1C[C@H](N[C@@H]2CNCCC2(F)F)C12CCC2 ZINC000925703090 646426493 /nfs/dbraw/zinc/42/64/93/646426493.db2.gz BYNMVWDQHQXHNR-KXUCPTDWSA-N 1 3 245.317 0.843 20 0 BCADHO CC1(C)NCC[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000925707294 646432868 /nfs/dbraw/zinc/43/28/68/646432868.db2.gz OVTSBRGJGXIEJL-JTQLQIEISA-N 1 3 248.392 0.541 20 0 BCADHO C[C@@H]1NCCC[C@@H]1[NH2+]C[C@@H]1CCNCC1(F)F ZINC000925711809 646437584 /nfs/dbraw/zinc/43/75/84/646437584.db2.gz RZRCHZLEAOFVSQ-DCAQKATOSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCNCC1(F)F ZINC000925711809 646437590 /nfs/dbraw/zinc/43/75/90/646437590.db2.gz RZRCHZLEAOFVSQ-DCAQKATOSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCCN1C ZINC000925719107 646444571 /nfs/dbraw/zinc/44/45/71/646444571.db2.gz OIMJNYSNROIZNQ-GRYCIOLGSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1C ZINC000925781849 646478572 /nfs/dbraw/zinc/47/85/72/646478572.db2.gz GTVSMFXSQJUOEP-WFFHOREQSA-N 1 3 223.364 0.667 20 0 BCADHO C[C@H](NCCOC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000925878277 646527228 /nfs/dbraw/zinc/52/72/28/646527228.db2.gz UCAARNOBZPWHMD-RYUDHWBXSA-N 1 3 242.363 0.770 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000925891575 646533782 /nfs/dbraw/zinc/53/37/82/646533782.db2.gz WDZZPLJVFZWGBB-HOSYDEDBSA-N 1 3 238.335 0.171 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCCO ZINC000926302469 646612472 /nfs/dbraw/zinc/61/24/72/646612472.db2.gz DMQDYWODHVEQDI-FOSCPWQOSA-N 1 3 212.337 0.689 20 0 BCADHO CCOC[C@@H](O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227736623 711832778 /nfs/dbraw/zinc/83/27/78/711832778.db2.gz GPMVTTRRCKMRML-NWDGAFQWSA-N 1 3 232.368 0.689 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1C[C@H](CO)[C@H](CO)C1 ZINC000704770089 712115489 /nfs/dbraw/zinc/11/54/89/712115489.db2.gz GMOBJLIHJJZRCE-XQQFMLRXSA-N 1 3 242.363 0.003 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1C[C@H](CO)[C@H](CO)C1 ZINC000704770089 712115492 /nfs/dbraw/zinc/11/54/92/712115492.db2.gz GMOBJLIHJJZRCE-XQQFMLRXSA-N 1 3 242.363 0.003 20 0 BCADHO C[C@H](CN1CC[C@H](CC[NH3+])C1)CS(C)(=O)=O ZINC000706567659 712150208 /nfs/dbraw/zinc/15/02/08/712150208.db2.gz AFPRHAMFSPIXGF-MNOVXSKESA-N 1 3 248.392 0.338 20 0 BCADHO C[C@@H](C(=O)N(C)C)N(C)CCCCCC[NH3+] ZINC000710751678 712256216 /nfs/dbraw/zinc/25/62/16/712256216.db2.gz VJDSALSMIZGAIN-NSHDSACASA-N 1 3 229.368 0.914 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711312686 712293692 /nfs/dbraw/zinc/29/36/92/712293692.db2.gz YKMMPIVVQLKEGS-WDEREUQCSA-N 1 3 239.363 0.442 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711569083 712311157 /nfs/dbraw/zinc/31/11/57/712311157.db2.gz YCVSVUBHPPCVII-TUAOUCFPSA-N 1 3 244.404 0.594 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711569083 712311158 /nfs/dbraw/zinc/31/11/58/712311158.db2.gz YCVSVUBHPPCVII-TUAOUCFPSA-N 1 3 244.404 0.594 20 0 BCADHO CCn1nnc(C)c1CN1CC[C@@H](CC[NH3+])C1 ZINC000923479515 712334318 /nfs/dbraw/zinc/33/43/18/712334318.db2.gz QRPONVQCTNANSP-LLVKDONJSA-N 1 3 237.351 0.777 20 0 BCADHO NCC(C[NH3+])NCCSc1ccccc1 ZINC000390138910 712374311 /nfs/dbraw/zinc/37/43/11/712374311.db2.gz NMVQFBMMFLWMNL-UHFFFAOYSA-N 1 3 225.361 0.654 20 0 BCADHO CCCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000379340582 712375449 /nfs/dbraw/zinc/37/54/49/712375449.db2.gz LWPYUVJZCFPDQH-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CN1CC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000712554820 712444794 /nfs/dbraw/zinc/44/47/94/712444794.db2.gz CNAMHWVFSZYRQG-PSEXLTFBSA-N 1 3 223.364 0.905 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000714244326 712480199 /nfs/dbraw/zinc/48/01/99/712480199.db2.gz HONQEYXNQFYDHP-NAKRPEOUSA-N 1 3 246.376 0.422 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037484148 712650751 /nfs/dbraw/zinc/65/07/51/712650751.db2.gz ZPNTVKWFQUGPAH-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037484148 712650753 /nfs/dbraw/zinc/65/07/53/712650753.db2.gz ZPNTVKWFQUGPAH-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO NC(=O)CC1CC(N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000718554182 712769086 /nfs/dbraw/zinc/76/90/86/712769086.db2.gz STNYQWITBKZZHO-WFBLGPOFSA-N 1 3 237.347 0.500 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720896726 712876489 /nfs/dbraw/zinc/87/64/89/712876489.db2.gz DHSIGCVARHPOKH-UTUOFQBUSA-N 1 3 239.363 0.665 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000722700413 710719657 /nfs/dbraw/zinc/71/96/57/710719657.db2.gz ORASHOLRIZYIPU-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CO[C@@H]1COCC[C@@H]1N(C)CCC[NH3+] ZINC000381839920 710732743 /nfs/dbraw/zinc/73/27/43/710732743.db2.gz STZOPVOZNICFCO-VHSXEESVSA-N 1 3 202.298 0.071 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1CCO[C@H]1CCOC1 ZINC000724921489 710749492 /nfs/dbraw/zinc/74/94/92/710749492.db2.gz LTGPIVLIDNFEOC-STQMWFEESA-N 1 3 242.363 0.995 20 0 BCADHO C[C@@H]1CN(CCO[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000724945013 710750190 /nfs/dbraw/zinc/75/01/90/710750190.db2.gz WAAMRCVWVFTJON-IJLUTSLNSA-N 1 3 228.336 0.319 20 0 BCADHO CC(C)NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000133090391 710967847 /nfs/dbraw/zinc/96/78/47/710967847.db2.gz IHVIVCITQCQPPB-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO COC(CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)OC ZINC000390161554 711107323 /nfs/dbraw/zinc/10/73/23/711107323.db2.gz ZWUWPMQGZROMGJ-WDEREUQCSA-N 1 3 228.336 0.489 20 0 BCADHO COC(CN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)OC ZINC000390161554 711107324 /nfs/dbraw/zinc/10/73/24/711107324.db2.gz ZWUWPMQGZROMGJ-WDEREUQCSA-N 1 3 228.336 0.489 20 0 BCADHO C[C@@H](C[NH2+][C@H]1CCCNC(=O)C1)CN(C)C ZINC000390299736 711111100 /nfs/dbraw/zinc/11/11/00/711111100.db2.gz CBAATHGAYAVCPX-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H]1C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000390517258 711123030 /nfs/dbraw/zinc/12/30/30/711123030.db2.gz DNMWOKHXXWJMMF-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CCCNC(=O)CN(C)CCCCCC[NH3+] ZINC000381131632 710604131 /nfs/dbraw/zinc/60/41/31/710604131.db2.gz KUUNDBSFIGIGRK-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO CO[C@H]1C[C@@H](CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000721956072 710693814 /nfs/dbraw/zinc/69/38/14/710693814.db2.gz SPYLBCAGYJXYQH-WUHRBBMRSA-N 1 3 224.348 0.953 20 0 BCADHO [NH3+]C[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724564297 710742606 /nfs/dbraw/zinc/74/26/06/710742606.db2.gz VJNFHTDFTRRXRT-WHOHXGKFSA-N 1 3 226.320 0.071 20 0 BCADHO COCC(COC)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000384910209 711000476 /nfs/dbraw/zinc/00/04/76/711000476.db2.gz DEEOMFLBUPLJHR-VHSXEESVSA-N 1 3 216.325 0.317 20 0 BCADHO COCC(COC)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000384891221 711000489 /nfs/dbraw/zinc/00/04/89/711000489.db2.gz YFGQFOJTPZQPNT-QWRGUYRKSA-N 1 3 230.352 0.707 20 0 BCADHO COCC(COC)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000385010354 711003347 /nfs/dbraw/zinc/00/33/47/711003347.db2.gz XRUUXXHKVMFZTE-WDEREUQCSA-N 1 3 230.352 0.565 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCN1CCOCC1 ZINC000396615095 711362192 /nfs/dbraw/zinc/36/21/92/711362192.db2.gz SCBMUDAEABAILO-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO CCOC[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000717910217 711492217 /nfs/dbraw/zinc/49/22/17/711492217.db2.gz BEZSWZYKSZIZNI-FRRDWIJNSA-N 1 3 242.363 0.851 20 0 BCADHO CCOC(=O)[C@H](CC)N1CC[C@H](CC[NH3+])C1 ZINC000723713674 711535288 /nfs/dbraw/zinc/53/52/88/711535288.db2.gz XGUVZBBMJRHKJE-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO Cc1c[nH]nc1CN1CC[C@@H](CC[NH3+])C1 ZINC000723703744 711535428 /nfs/dbraw/zinc/53/54/28/711535428.db2.gz VRWKEXMHERRQIP-SNVBAGLBSA-N 1 3 208.309 0.889 20 0 BCADHO Cc1cc(C)nc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000723879529 711542349 /nfs/dbraw/zinc/54/23/49/711542349.db2.gz QNRJYAWVFGXXQH-UHFFFAOYSA-N 1 3 249.358 0.984 20 0 BCADHO CCN(C[C@H](O)C[NH+]1CCCC1)CC(C)(C)O ZINC000382658247 711546766 /nfs/dbraw/zinc/54/67/66/711546766.db2.gz MMJDMOKBDSMKDI-LBPRGKRZSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@H]3O2)C1 ZINC000724562128 711592535 /nfs/dbraw/zinc/59/25/35/711592535.db2.gz FXZOGYNXHQNRFT-CKIKVBCHSA-N 1 3 240.347 0.459 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000724562130 711592610 /nfs/dbraw/zinc/59/26/10/711592610.db2.gz FXZOGYNXHQNRFT-PPCPHDFISA-N 1 3 240.347 0.459 20 0 BCADHO CN(C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC(C)(C)C[NH3+] ZINC000724564248 711592870 /nfs/dbraw/zinc/59/28/70/711592870.db2.gz RRGRMOXLNBTELK-WOPDTQHZSA-N 1 3 242.363 0.707 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(CCO[C@H]2CCOC2)C1 ZINC000724920461 711628573 /nfs/dbraw/zinc/62/85/73/711628573.db2.gz GEYIRBZPLGPJTF-TUAOUCFPSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@@H]1C[C@H](NCCO[C@H]2CCOC2)CC[N@@H+]1C ZINC000724934687 711631252 /nfs/dbraw/zinc/63/12/52/711631252.db2.gz DPFRHHFHQNJYLL-UPJWGTAASA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H]1C[C@H](NCCO[C@H]2CCOC2)CC[N@H+]1C ZINC000724934687 711631256 /nfs/dbraw/zinc/63/12/56/711631256.db2.gz DPFRHHFHQNJYLL-UPJWGTAASA-N 1 3 242.363 0.864 20 0 BCADHO COC[C@@H](C[N@H+](C)C[C@H](O)CN)C(C)C ZINC000721911783 711917496 /nfs/dbraw/zinc/91/74/96/711917496.db2.gz KKTWGOMPAIEYSZ-GHMZBOCLSA-N 1 3 218.341 0.156 20 0 BCADHO COC[C@@H](C[N@@H+](C)C[C@H](O)CN)C(C)C ZINC000721911783 711917498 /nfs/dbraw/zinc/91/74/98/711917498.db2.gz KKTWGOMPAIEYSZ-GHMZBOCLSA-N 1 3 218.341 0.156 20 0 BCADHO CN1CC[C@@](O)(CNC(=[NH2+])Nc2ccccc2)C1 ZINC000702591392 712055924 /nfs/dbraw/zinc/05/59/24/712055924.db2.gz NQVPMQUDUIQANU-CYBMUJFWSA-N 1 3 248.330 0.689 20 0 BCADHO COC1CC(CN2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000703839156 712089788 /nfs/dbraw/zinc/08/97/88/712089788.db2.gz CLLOSTVPNDJUET-WSVSKBAQSA-N 1 3 210.321 0.563 20 0 BCADHO COC1CC(CN2CCCO[C@@H](C[NH3+])C2)C1 ZINC000703854476 712090359 /nfs/dbraw/zinc/09/03/59/712090359.db2.gz LBWBVFNNLFRARH-MCIGGMRASA-N 1 3 228.336 0.461 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000709272167 712219005 /nfs/dbraw/zinc/21/90/05/712219005.db2.gz BOQVEVQNEMYVLG-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1COC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463323 712222274 /nfs/dbraw/zinc/22/22/74/712222274.db2.gz DUZLLFAQGBMEGE-GDGRRUBZSA-N 1 3 210.321 0.894 20 0 BCADHO C[C@@H]1COC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000709463317 712222359 /nfs/dbraw/zinc/22/23/59/712222359.db2.gz DUZLLFAQGBMEGE-ARHMULMVSA-N 1 3 210.321 0.894 20 0 BCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCN1CCCC1=O)C2 ZINC000709886921 712231530 /nfs/dbraw/zinc/23/15/30/712231530.db2.gz GNXUSHNRCLQEIO-SRVKXCTJSA-N 1 3 237.347 0.420 20 0 BCADHO CSCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000710642177 712264521 /nfs/dbraw/zinc/26/45/21/712264521.db2.gz MYFRPZKPWAOQKQ-UHFFFAOYSA-N 1 3 232.393 0.738 20 0 BCADHO CN(C[C@@H]1C[C@@H]2COC[C@H]2O1)CC(C)(C)C[NH3+] ZINC000724564245 712392377 /nfs/dbraw/zinc/39/23/77/712392377.db2.gz RRGRMOXLNBTELK-GRYCIOLGSA-N 1 3 242.363 0.707 20 0 BCADHO C[C@H]1CCCN(CCn2cnnn2)[C@H]1CC[NH3+] ZINC000712574855 712448283 /nfs/dbraw/zinc/44/82/83/712448283.db2.gz DNJOXHMOKWJFBS-QWRGUYRKSA-N 1 3 238.339 0.122 20 0 BCADHO C[C@H](C(N)=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714426115 712486119 /nfs/dbraw/zinc/48/61/19/712486119.db2.gz FAXHSUZLVABRNP-SECBINFHSA-N 1 3 227.352 0.557 20 0 BCADHO CN(CCCCCO)C[C@@H](O)C[NH+]1CCCC1 ZINC000379808445 712605723 /nfs/dbraw/zinc/60/57/23/712605723.db2.gz IINKZZYKDMVENF-CYBMUJFWSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@@H](NC[C@@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605471 712662248 /nfs/dbraw/zinc/66/22/48/712662248.db2.gz AQCPGPSKSIOGEK-KOLCDFICSA-N 1 3 212.337 0.999 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000038029514 712800046 /nfs/dbraw/zinc/80/00/46/712800046.db2.gz MVPOBBQROZFIMN-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)CCN1C ZINC000719634344 712814790 /nfs/dbraw/zinc/81/47/90/712814790.db2.gz BLGYUSGOPPUTFS-KGYLQXTDSA-N 1 3 241.379 0.124 20 0 BCADHO C[N@H+](C[C@@H](O)CNC[C@@H]1CCC=CO1)C1CC1 ZINC000380232994 712835225 /nfs/dbraw/zinc/83/52/25/712835225.db2.gz RUTTXZVAYXWDTJ-STQMWFEESA-N 1 3 240.347 0.724 20 0 BCADHO C[N@@H+](C[C@@H](O)CNC[C@@H]1CCC=CO1)C1CC1 ZINC000380232994 712835227 /nfs/dbraw/zinc/83/52/27/712835227.db2.gz RUTTXZVAYXWDTJ-STQMWFEESA-N 1 3 240.347 0.724 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901472 712876024 /nfs/dbraw/zinc/87/60/24/712876024.db2.gz SALRTASNGGPNAT-USZNOCQGSA-N 1 3 237.347 0.419 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720897502 712876417 /nfs/dbraw/zinc/87/64/17/712876417.db2.gz HTKCPCDZEOIPMH-AXFHLTTASA-N 1 3 225.336 0.289 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(CCO)CC1 ZINC000721053861 712888107 /nfs/dbraw/zinc/88/81/07/712888107.db2.gz LJWZWUKTYXVVIZ-YPMHNXCESA-N 1 3 226.364 0.936 20 0 BCADHO C[N@H+](C[C@@H](O)CN[C@@H]1CC12CCC2)C1CC1 ZINC000721177685 712895963 /nfs/dbraw/zinc/89/59/63/712895963.db2.gz QREUPINESHDQQR-NWDGAFQWSA-N 1 3 224.348 0.974 20 0 BCADHO C[N@@H+](C[C@@H](O)CN[C@@H]1CC12CCC2)C1CC1 ZINC000721177685 712895964 /nfs/dbraw/zinc/89/59/64/712895964.db2.gz QREUPINESHDQQR-NWDGAFQWSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000062071239 349437587 /nfs/dbraw/zinc/43/75/87/349437587.db2.gz QNLCOZZPVGXVTB-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000062071239 349437591 /nfs/dbraw/zinc/43/75/91/349437591.db2.gz QNLCOZZPVGXVTB-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062076638 349437698 /nfs/dbraw/zinc/43/76/98/349437698.db2.gz SICJGYHVZPDTTQ-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO Cn1cncc1CN1CCC(C[NH3+])CC1 ZINC000085170756 136211672 /nfs/dbraw/zinc/21/16/72/136211672.db2.gz SBINDLXBPQLCID-UHFFFAOYSA-N 1 3 208.309 0.591 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236730961 168323247 /nfs/dbraw/zinc/32/32/47/168323247.db2.gz MSYMXKPDBACGPX-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000257704721 349481874 /nfs/dbraw/zinc/48/18/74/349481874.db2.gz PEIPLCWNFAJLMW-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124223 349506549 /nfs/dbraw/zinc/50/65/49/349506549.db2.gz WAULCOMBFUUKJW-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CN(CC1CCN(C)CC1)C(=O)CCC[NH3+] ZINC000063124093 349506567 /nfs/dbraw/zinc/50/65/67/349506567.db2.gz NJOVNRAJWCKXEV-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO C[NH2+]CCCC(=O)N(C)CC1CCN(C)CC1 ZINC000063124235 349506622 /nfs/dbraw/zinc/50/66/22/349506622.db2.gz UFMYOWXNRNVGCK-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000649341956 398158653 /nfs/dbraw/zinc/15/86/53/398158653.db2.gz CQPBTQYRQVRPJF-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000062902383 349495928 /nfs/dbraw/zinc/49/59/28/349495928.db2.gz UHBNREILEZWOTA-AAEUAGOBSA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000062902386 349496006 /nfs/dbraw/zinc/49/60/06/349496006.db2.gz UHBNREILEZWOTA-WCQYABFASA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1C ZINC000649333344 398149655 /nfs/dbraw/zinc/14/96/55/398149655.db2.gz NQNHGZLCUPKNKP-KKJSVHSVSA-N 1 3 237.347 0.051 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000649335441 398151210 /nfs/dbraw/zinc/15/12/10/398151210.db2.gz ZZWRRBOCGJYROQ-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000649341525 398157577 /nfs/dbraw/zinc/15/75/77/398157577.db2.gz DKZSJFLXDQPWSM-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000649340931 398157936 /nfs/dbraw/zinc/15/79/36/398157936.db2.gz AXKMUMQEDFZDRL-SDDRHHMPSA-N 1 3 239.363 0.680 20 0 BCADHO COCC(C)(C)N1CCN(C[C@@H](C)[NH3+])CC1 ZINC000424289823 398179579 /nfs/dbraw/zinc/17/95/79/398179579.db2.gz CIZBFHDACICGPY-LLVKDONJSA-N 1 3 229.368 0.376 20 0 BCADHO COC(=O)C(C)(C)CNC[C@]1(C)CC[NH2+]C1 ZINC000415096952 398161556 /nfs/dbraw/zinc/16/15/56/398161556.db2.gz CEHRPKQLLWBCMQ-GFCCVEGCSA-N 1 3 228.336 0.775 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649348467 398162308 /nfs/dbraw/zinc/16/23/08/398162308.db2.gz LRDKJXYBIUMOGJ-WSLQDRLSSA-N 1 3 249.358 0.051 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649348652 398162374 /nfs/dbraw/zinc/16/23/74/398162374.db2.gz PXGIMJUDZMXHSG-AOBWVBKOSA-N 1 3 249.358 0.336 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CN1C1CC1 ZINC000649348481 398162551 /nfs/dbraw/zinc/16/25/51/398162551.db2.gz MBUJQNJZNPJONZ-DTPMLBFTSA-N 1 3 249.358 0.193 20 0 BCADHO CNCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000083884171 398187971 /nfs/dbraw/zinc/18/79/71/398187971.db2.gz NABLCDOVGLSGKK-LLVKDONJSA-N 1 3 225.336 0.293 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C[C@@H](C)O)C(C)C ZINC000576237577 365532752 /nfs/dbraw/zinc/53/27/52/365532752.db2.gz CJVPJQNPJKQXPZ-NEPJUHHUSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C[C@@H](C)O)C(C)C ZINC000576237577 365532756 /nfs/dbraw/zinc/53/27/56/365532756.db2.gz CJVPJQNPJKQXPZ-NEPJUHHUSA-N 1 3 232.368 0.390 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446396496 398204513 /nfs/dbraw/zinc/20/45/13/398204513.db2.gz KCOBAGYGJZXEGU-GHMZBOCLSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926994 398204722 /nfs/dbraw/zinc/20/47/22/398204722.db2.gz QASHMSJESKZSAK-GRYCIOLGSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000446411021 398206598 /nfs/dbraw/zinc/20/65/98/398206598.db2.gz DXLBAGXHOGIBNY-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO CN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000649412602 398215027 /nfs/dbraw/zinc/21/50/27/398215027.db2.gz WWIDQCBKOCXMSE-DGCLKSJQSA-N 1 3 223.364 0.764 20 0 BCADHO [NH3+]C[C@H](NCCn1cncn1)C1CCCCC1 ZINC000649420218 398219391 /nfs/dbraw/zinc/21/93/91/398219391.db2.gz PXXDRUXCUNDSKQ-LBPRGKRZSA-N 1 3 237.351 0.775 20 0 BCADHO C[C@@](C[NH3+])(NCCN1CCOCC1)C1CC1 ZINC000430558304 398227728 /nfs/dbraw/zinc/22/77/28/398227728.db2.gz PVDBSOFPFCOXOW-LBPRGKRZSA-N 1 3 227.352 0.036 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)NC(C)(C)CN(C)C ZINC000418386446 192031630 /nfs/dbraw/zinc/03/16/30/192031630.db2.gz LQPNHHZZTKRLDV-JTQLQIEISA-N 1 3 244.383 0.481 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529999 488175657 /nfs/dbraw/zinc/17/56/57/488175657.db2.gz XFFAZMUCYDEWBM-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529999 488175663 /nfs/dbraw/zinc/17/56/63/488175663.db2.gz XFFAZMUCYDEWBM-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000576475414 365606495 /nfs/dbraw/zinc/60/64/95/365606495.db2.gz CXDOKPIRPDBRGQ-UPJWGTAASA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C ZINC000576475414 365606498 /nfs/dbraw/zinc/60/64/98/365606498.db2.gz CXDOKPIRPDBRGQ-UPJWGTAASA-N 1 3 243.395 0.323 20 0 BCADHO C[C@H]1OCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000336778247 398245080 /nfs/dbraw/zinc/24/50/80/398245080.db2.gz KUICDSLTQALJAC-MNOVXSKESA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H]1CN(C(=O)C2(N)CCC2)CC[C@@H]1[NH3+] ZINC000576517014 365614890 /nfs/dbraw/zinc/61/48/90/365614890.db2.gz RSSQNYMRIHLHCJ-IUCAKERBSA-N 1 3 211.309 0.064 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)NCCN(C)C1CC1 ZINC000417630153 398245631 /nfs/dbraw/zinc/24/56/31/398245631.db2.gz TUWJWXGNYACUDI-SNVBAGLBSA-N 1 3 242.367 0.235 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000036135328 398246165 /nfs/dbraw/zinc/24/61/65/398246165.db2.gz LJLWARLMLYWYTB-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO C([C@H]1CC[NH2+]C1)N1CC[C@]2(CCOC2)C1 ZINC000381410659 398253749 /nfs/dbraw/zinc/25/37/49/398253749.db2.gz UIPJFKRIAUBZTC-RYUDHWBXSA-N 1 3 210.321 0.708 20 0 BCADHO OCC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000168835687 538945392 /nfs/dbraw/zinc/94/53/92/538945392.db2.gz JDWOZFITACMYCV-NWDGAFQWSA-N 1 3 224.348 0.975 20 0 BCADHO OCC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000168835687 538945393 /nfs/dbraw/zinc/94/53/93/538945393.db2.gz JDWOZFITACMYCV-NWDGAFQWSA-N 1 3 224.348 0.975 20 0 BCADHO CCOC[C@@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000381603465 398254374 /nfs/dbraw/zinc/25/43/74/398254374.db2.gz OVTDLFWDNXOODW-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO NC1(C(=O)NCC2CC[NH2+]CC2)CCCCC1 ZINC000576729974 365671759 /nfs/dbraw/zinc/67/17/59/365671759.db2.gz PRRZINFQGKAZLD-UHFFFAOYSA-N 1 3 239.363 0.764 20 0 BCADHO C[NH2+]CCNC(=O)[C@H]1NCCCC1(C)C ZINC000417781389 398267494 /nfs/dbraw/zinc/26/74/94/398267494.db2.gz JPLMJGNQIVDHLY-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000334925560 398274200 /nfs/dbraw/zinc/27/42/00/398274200.db2.gz LPKCEHZERVMQOS-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C[C@H](C)CO)C1 ZINC000678043379 488179065 /nfs/dbraw/zinc/17/90/65/488179065.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 1 3 214.353 0.888 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H](C)CO)C1 ZINC000678043379 488179067 /nfs/dbraw/zinc/17/90/67/488179067.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678043379 488179069 /nfs/dbraw/zinc/17/90/69/488179069.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678043379 488179071 /nfs/dbraw/zinc/17/90/71/488179071.db2.gz BPNXUTKZGRIRGC-NWDGAFQWSA-N 1 3 214.353 0.888 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)NC(C)(C)CN(C)C ZINC000418488465 192040978 /nfs/dbraw/zinc/04/09/78/192040978.db2.gz KRJPJJAUMMXVBC-SECBINFHSA-N 1 3 230.356 0.221 20 0 BCADHO CC1CC(NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000166622722 361852902 /nfs/dbraw/zinc/85/29/02/361852902.db2.gz AEJIGUFLZLJKEI-HTAVTVPLSA-N 1 3 212.337 0.831 20 0 BCADHO CN1CCC[C@@H]1C[N@@H+]1CCCN(C)CC1 ZINC000649481882 398279575 /nfs/dbraw/zinc/27/95/75/398279575.db2.gz VOXKIHJOEMTHIQ-GFCCVEGCSA-N 1 3 211.353 0.718 20 0 BCADHO CN1CCC[C@@H]1C[N@H+]1CCCN(C)CC1 ZINC000649481882 398279577 /nfs/dbraw/zinc/27/95/77/398279577.db2.gz VOXKIHJOEMTHIQ-GFCCVEGCSA-N 1 3 211.353 0.718 20 0 BCADHO CCOC[C@@H](C)[NH2+]CCOCCN(C)C ZINC000219320901 342722268 /nfs/dbraw/zinc/72/22/68/342722268.db2.gz FSYKLWPNKNEUBQ-LLVKDONJSA-N 1 3 218.341 0.579 20 0 BCADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH+](C)C ZINC000630006126 361897103 /nfs/dbraw/zinc/89/71/03/361897103.db2.gz FHQVSBNXKSEBEA-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CN(C)CCN(C)C(=O)NCC1([NH3+])CCC1 ZINC000418506873 192044887 /nfs/dbraw/zinc/04/48/87/192044887.db2.gz HTGRGNCZWMIFCN-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO CCN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000336471197 342806480 /nfs/dbraw/zinc/80/64/80/342806480.db2.gz BJPKRSCBUSKXIF-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000336471197 342806482 /nfs/dbraw/zinc/80/64/82/342806482.db2.gz BJPKRSCBUSKXIF-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)CC[NH3+] ZINC000418514956 192046226 /nfs/dbraw/zinc/04/62/26/192046226.db2.gz BEOBPECIJVJOJY-LLVKDONJSA-N 1 3 244.383 0.705 20 0 BCADHO CCN(CC)CCC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000191895279 538993252 /nfs/dbraw/zinc/99/32/52/538993252.db2.gz FPABELPOAZCBPY-STQMWFEESA-N 1 3 246.395 0.782 20 0 BCADHO CCN(CC)CCC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000191895279 538993253 /nfs/dbraw/zinc/99/32/53/538993253.db2.gz FPABELPOAZCBPY-STQMWFEESA-N 1 3 246.395 0.782 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000335621918 136240195 /nfs/dbraw/zinc/24/01/95/136240195.db2.gz CAXPFVUSIMEODD-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@]1(C(=O)N2CCNC(C)(C)C2)CC[NH2+]C1 ZINC000335626418 136240796 /nfs/dbraw/zinc/24/07/96/136240796.db2.gz DYTLGJDOSCRMMJ-LBPRGKRZSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+](CCCNCCC(N)=O)Cc1ccccc1 ZINC000036925710 398297253 /nfs/dbraw/zinc/29/72/53/398297253.db2.gz FXYDHIAIGQEIHQ-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO C[N@@H+](CCCNCCC(N)=O)Cc1ccccc1 ZINC000036925710 398297255 /nfs/dbraw/zinc/29/72/55/398297255.db2.gz FXYDHIAIGQEIHQ-UHFFFAOYSA-N 1 3 249.358 0.974 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418536021 192049285 /nfs/dbraw/zinc/04/92/85/192049285.db2.gz BKVVZEJLQDTXQC-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CN(C)CCN(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418558917 192050349 /nfs/dbraw/zinc/05/03/49/192050349.db2.gz CDCMYDDMGKLORP-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](N)C(C)C)C1CC1 ZINC000167204785 136244998 /nfs/dbraw/zinc/24/49/98/136244998.db2.gz ZXSBTWOPQARGCI-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](N)C(C)C)C1CC1 ZINC000167204785 136244999 /nfs/dbraw/zinc/24/49/99/136244999.db2.gz ZXSBTWOPQARGCI-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418566355 192051399 /nfs/dbraw/zinc/05/13/99/192051399.db2.gz MVDOAXCUFMXYCS-UWVGGRQHSA-N 1 3 228.340 0.069 20 0 BCADHO CN(C)CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418572184 192052159 /nfs/dbraw/zinc/05/21/59/192052159.db2.gz SHKLPYXZDVJACZ-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](C)C[NH3+])C1 ZINC000418573050 192052382 /nfs/dbraw/zinc/05/23/82/192052382.db2.gz UALLTRSSVMGRQW-QWRGUYRKSA-N 1 3 242.367 0.458 20 0 BCADHO CN(C)CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418572185 192052412 /nfs/dbraw/zinc/05/24/12/192052412.db2.gz SHKLPYXZDVJACZ-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106658 398326945 /nfs/dbraw/zinc/32/69/45/398326945.db2.gz JXMZGBSDGXSPNZ-GFCCVEGCSA-N 1 3 248.330 0.649 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@H](C)N(C)C ZINC000038089355 398335937 /nfs/dbraw/zinc/33/59/37/398335937.db2.gz RLRUMBUHXDTYDQ-JTQLQIEISA-N 1 3 215.341 0.441 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCCN1 ZINC000157805867 398342985 /nfs/dbraw/zinc/34/29/85/398342985.db2.gz LNDHMYNZXRPDNJ-AXFHLTTASA-N 1 3 225.336 0.372 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(N)=O)C1 ZINC000580314397 346897206 /nfs/dbraw/zinc/89/72/06/346897206.db2.gz PNYJPDBGLZTHNJ-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(N)=O)C1 ZINC000580314397 346897208 /nfs/dbraw/zinc/89/72/08/346897208.db2.gz PNYJPDBGLZTHNJ-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000040503551 346903476 /nfs/dbraw/zinc/90/34/76/346903476.db2.gz GHTHKXZUQYQZOI-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000050464313 343022787 /nfs/dbraw/zinc/02/27/87/343022787.db2.gz FLRXNLAYPZMNOM-NWDGAFQWSA-N 1 3 237.347 0.420 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H]1C[C@@H](OC)C1(C)C ZINC000310483926 259344536 /nfs/dbraw/zinc/34/45/36/259344536.db2.gz DNZRNGMKVKKVCT-GRYCIOLGSA-N 1 3 244.379 0.702 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1C[C@@H](OC)C1(C)C ZINC000310483926 259344537 /nfs/dbraw/zinc/34/45/37/259344537.db2.gz DNZRNGMKVKKVCT-GRYCIOLGSA-N 1 3 244.379 0.702 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089360 343059196 /nfs/dbraw/zinc/05/91/96/343059196.db2.gz UOFYPLZWXIIIHA-KOLCDFICSA-N 1 3 215.341 0.570 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089357 343059365 /nfs/dbraw/zinc/05/93/65/343059365.db2.gz JMVMNPFQGAIKFE-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)N ZINC000236752163 259346518 /nfs/dbraw/zinc/34/65/18/259346518.db2.gz RQNLZDLCRNWXMJ-BDAKNGLRSA-N 1 3 201.314 0.165 20 0 BCADHO CC(C)[C@@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000584882025 343083582 /nfs/dbraw/zinc/08/35/82/343083582.db2.gz XTYNVBBSKZURHJ-WCBMZHEXSA-N 1 3 209.297 0.468 20 0 BCADHO [NH3+]CCCN1CCC[C@@H](N2CCOCC2)CC1 ZINC000565225991 323034531 /nfs/dbraw/zinc/03/45/31/323034531.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 1 3 241.379 0.522 20 0 BCADHO NCCC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000565225991 323034532 /nfs/dbraw/zinc/03/45/32/323034532.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 1 3 241.379 0.522 20 0 BCADHO NCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000565225991 323034533 /nfs/dbraw/zinc/03/45/33/323034533.db2.gz IHDSCYJGAFARDA-CYBMUJFWSA-N 1 3 241.379 0.522 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(N)CC1 ZINC000236721701 343109296 /nfs/dbraw/zinc/10/92/96/343109296.db2.gz IOBFSRWWNWIVCY-VIFPVBQESA-N 1 3 213.325 0.310 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000237062212 343122269 /nfs/dbraw/zinc/12/22/69/343122269.db2.gz ATOQIBKTABWNAX-NSHDSACASA-N 1 3 221.304 0.065 20 0 BCADHO CC[NH2+]CC1CCN([C@@H](CC)C(N)=O)CC1 ZINC000082645688 362074146 /nfs/dbraw/zinc/07/41/46/362074146.db2.gz OZYHJGRYUZHZRD-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)Cn1cccn1 ZINC000049556991 343111657 /nfs/dbraw/zinc/11/16/57/343111657.db2.gz IORUFOHZFBJFKW-NWDGAFQWSA-N 1 3 240.351 0.174 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236887803 343113580 /nfs/dbraw/zinc/11/35/80/343113580.db2.gz NUBRPXGZIORQOJ-KOLCDFICSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236943290 343116087 /nfs/dbraw/zinc/11/60/87/343116087.db2.gz GRJVHGSTRUIJHY-VWYCJHECSA-N 1 3 227.352 0.476 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778926 343125714 /nfs/dbraw/zinc/12/57/14/343125714.db2.gz IMKVQKUGBBHIJA-PWSUYJOCSA-N 1 3 243.326 0.289 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H](N)c1ccccc1 ZINC000237176560 343128302 /nfs/dbraw/zinc/12/83/02/343128302.db2.gz NYMIKNLXMFZXJL-LBPRGKRZSA-N 1 3 235.331 0.802 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](N)c1ccccc1 ZINC000237231859 343131012 /nfs/dbraw/zinc/13/10/12/343131012.db2.gz YFXWMGKXMFYKTM-SNVBAGLBSA-N 1 3 207.277 0.022 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092956418 343150115 /nfs/dbraw/zinc/15/01/15/343150115.db2.gz DRXAURSSEIQYSS-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000148070083 343196214 /nfs/dbraw/zinc/19/62/14/343196214.db2.gz WZRWVNJSNBQBJM-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000148070083 343196216 /nfs/dbraw/zinc/19/62/16/343196216.db2.gz WZRWVNJSNBQBJM-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)N(C)C)C1 ZINC000168558451 343210485 /nfs/dbraw/zinc/21/04/85/343210485.db2.gz ODKKJJWPPUYQQK-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CCCC[C@@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471661 136281544 /nfs/dbraw/zinc/28/15/44/136281544.db2.gz ZCDPHSRAEKMHGT-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CNCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000088091216 136284307 /nfs/dbraw/zinc/28/43/07/136284307.db2.gz SXHIALZJKHAQMU-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000088091216 136284308 /nfs/dbraw/zinc/28/43/08/136284308.db2.gz SXHIALZJKHAQMU-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000088091218 136284331 /nfs/dbraw/zinc/28/43/31/136284331.db2.gz SXHIALZJKHAQMU-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000088091218 136284332 /nfs/dbraw/zinc/28/43/32/136284332.db2.gz SXHIALZJKHAQMU-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@@H]2C[N@H+](CCCO)CC[C@@H]21 ZINC000088091291 136284401 /nfs/dbraw/zinc/28/44/01/136284401.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CCC[C@@H]2C[N@@H+](CCCO)CC[C@@H]21 ZINC000088091291 136284402 /nfs/dbraw/zinc/28/44/02/136284402.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(CCCO)CC[C@@H]21 ZINC000088091291 136284403 /nfs/dbraw/zinc/28/44/03/136284403.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(CCCO)CC[C@@H]21 ZINC000088091291 136284404 /nfs/dbraw/zinc/28/44/04/136284404.db2.gz QBVUDGSVTGYKIO-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@H]1CC[C@H](C)O1 ZINC000634688587 343249072 /nfs/dbraw/zinc/24/90/72/343249072.db2.gz XAZAZEZELMXZQU-NWDGAFQWSA-N 1 3 230.352 0.722 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H]1CCCCN1 ZINC000019413524 343249652 /nfs/dbraw/zinc/24/96/52/343249652.db2.gz WYZCOZZBXJSMNN-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO Cc1nccn1CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000348750805 136296732 /nfs/dbraw/zinc/29/67/32/136296732.db2.gz PTOJJDSSTAGJJQ-STQMWFEESA-N 1 3 234.347 0.733 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000335613223 136295767 /nfs/dbraw/zinc/29/57/67/136295767.db2.gz TWICHOCDOZZTIA-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCN1 ZINC000335626762 136299763 /nfs/dbraw/zinc/29/97/63/136299763.db2.gz INPIQCRADSHNSQ-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000335626886 136299831 /nfs/dbraw/zinc/29/98/31/136299831.db2.gz KXUJQRXNHIROJY-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335648360 136304307 /nfs/dbraw/zinc/30/43/07/136304307.db2.gz GDNFYBRURYNSIX-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@]1(C(=O)N[C@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000335654721 136306094 /nfs/dbraw/zinc/30/60/94/136306094.db2.gz ZVFFVOWUKWSUCH-WPRPVWTQSA-N 1 3 247.289 0.099 20 0 BCADHO CC(C)(C[NH3+])C(=O)N[C@@H]1CNCCC1(F)F ZINC000335653884 136306230 /nfs/dbraw/zinc/30/62/30/136306230.db2.gz OENKMNJOVDZOKL-SSDOTTSWSA-N 1 3 235.278 0.085 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000335656777 136306359 /nfs/dbraw/zinc/30/63/59/136306359.db2.gz PEXBYUWMDWTWQT-RKDXNWHRSA-N 1 3 211.309 0.254 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000335656771 136306534 /nfs/dbraw/zinc/30/65/34/136306534.db2.gz PEXBYUWMDWTWQT-BDAKNGLRSA-N 1 3 211.309 0.254 20 0 BCADHO CC[NH2+]CCCNC(=O)NC(C)(C)CN(C)C ZINC000569946952 323045457 /nfs/dbraw/zinc/04/54/57/323045457.db2.gz GKXUTJKJVJENCS-UHFFFAOYSA-N 1 3 244.383 0.625 20 0 BCADHO C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000040430935 343402482 /nfs/dbraw/zinc/40/24/82/343402482.db2.gz XFYBZUXCROCCGL-CMPLNLGQSA-N 1 3 235.331 0.753 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000040624525 343407938 /nfs/dbraw/zinc/40/79/38/343407938.db2.gz SVKFRZZPTLHQFQ-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000040624525 343407940 /nfs/dbraw/zinc/40/79/40/343407940.db2.gz SVKFRZZPTLHQFQ-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO CN(Cc1cnn(C)c1)CC1CC[NH2+]CC1 ZINC000042489389 343440115 /nfs/dbraw/zinc/44/01/15/343440115.db2.gz UCOQUFXIESLYMO-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO CCN1C[C@@H](C)[C@@H]([NH2+]CCOCCN(C)C)C1 ZINC000349189142 136331147 /nfs/dbraw/zinc/33/11/47/136331147.db2.gz FEWZOYQLRVOSCX-OLZOCXBDSA-N 1 3 243.395 0.494 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335718449 136340476 /nfs/dbraw/zinc/34/04/76/136340476.db2.gz JTWXPUXKMXZDHF-RYUDHWBXSA-N 1 3 239.363 0.537 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310327186 343435794 /nfs/dbraw/zinc/43/57/94/343435794.db2.gz AWLXFDLTESXIJO-RVMXOQNASA-N 1 3 242.363 0.002 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000310327186 343435797 /nfs/dbraw/zinc/43/57/97/343435797.db2.gz AWLXFDLTESXIJO-RVMXOQNASA-N 1 3 242.363 0.002 20 0 BCADHO C[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000251078806 136373688 /nfs/dbraw/zinc/37/36/88/136373688.db2.gz HABDTNKAVPPOEF-GARJFASQSA-N 1 3 200.326 0.722 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C[C@@H](C)O ZINC000310401737 343472360 /nfs/dbraw/zinc/47/23/60/343472360.db2.gz NFOSVSYUBLMSPZ-UPJWGTAASA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C[C@@H](C)O ZINC000310401737 343472362 /nfs/dbraw/zinc/47/23/62/343472362.db2.gz NFOSVSYUBLMSPZ-UPJWGTAASA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1C[C@@H](C)O ZINC000310401734 343472429 /nfs/dbraw/zinc/47/24/29/343472429.db2.gz NFOSVSYUBLMSPZ-AGIUHOORSA-N 1 3 244.379 0.534 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C[C@@H](C)O ZINC000310401734 343472430 /nfs/dbraw/zinc/47/24/30/343472430.db2.gz NFOSVSYUBLMSPZ-AGIUHOORSA-N 1 3 244.379 0.534 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H](C)[NH2+]C ZINC000308999461 346946020 /nfs/dbraw/zinc/94/60/20/346946020.db2.gz NONAHNWUYNYSJP-RKDXNWHRSA-N 1 3 201.314 0.228 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@H](C)[NH2+]C ZINC000308999458 346946134 /nfs/dbraw/zinc/94/61/34/346946134.db2.gz NONAHNWUYNYSJP-DTWKUNHWSA-N 1 3 201.314 0.228 20 0 BCADHO CN(CCOCC[NH3+])CCc1nccs1 ZINC000580552062 365758829 /nfs/dbraw/zinc/75/88/29/365758829.db2.gz NBXZTSCLWVDVHR-UHFFFAOYSA-N 1 3 229.349 0.593 20 0 BCADHO CC[NH+](CC)CC(=O)N(C)CC1CN(C)C1 ZINC000618192932 343589473 /nfs/dbraw/zinc/58/94/73/343589473.db2.gz CMNYMCFFPITRJL-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO C[NH2+]CCCN1CCNC[C@H]1C(F)F ZINC000379970338 365784891 /nfs/dbraw/zinc/78/48/91/365784891.db2.gz AYJFWNQNJZAECC-QMMMGPOBSA-N 1 3 207.268 0.135 20 0 BCADHO CCCN1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399176384 488227604 /nfs/dbraw/zinc/22/76/04/488227604.db2.gz BFAJPQSIWDXKKK-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000399176388 488228037 /nfs/dbraw/zinc/22/80/37/488228037.db2.gz BFAJPQSIWDXKKK-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)NC(C)(C)CN(C)C ZINC000418716918 192064084 /nfs/dbraw/zinc/06/40/84/192064084.db2.gz ZAMJVBCVOXRZEW-JTQLQIEISA-N 1 3 244.383 0.753 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000261563375 349850654 /nfs/dbraw/zinc/85/06/54/349850654.db2.gz BUSXAUUSPSUJSC-BBBLOLIVSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261563375 349850656 /nfs/dbraw/zinc/85/06/56/349850656.db2.gz BUSXAUUSPSUJSC-BBBLOLIVSA-N 1 3 213.325 0.275 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC2CC2)C1 ZINC000154664325 343743242 /nfs/dbraw/zinc/74/32/42/343743242.db2.gz IGFIVHYUHJRTMK-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)CCSC ZINC000154538988 343716371 /nfs/dbraw/zinc/71/63/71/343716371.db2.gz IYAJXIFRKCDNHQ-SECBINFHSA-N 1 3 233.381 0.183 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCN(C)C1CC1 ZINC000418733000 192064834 /nfs/dbraw/zinc/06/48/34/192064834.db2.gz UZHFOIAZHWQZDB-UWVGGRQHSA-N 1 3 242.367 0.458 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N(CCN(C)C)C(C)C ZINC000418726970 192064885 /nfs/dbraw/zinc/06/48/85/192064885.db2.gz LYEIPOCWMIFTQT-NSHDSACASA-N 1 3 244.383 0.705 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)CCCCCO ZINC000381033385 343776080 /nfs/dbraw/zinc/77/60/80/343776080.db2.gz AHNTVWZGWVBFIC-GFCCVEGCSA-N 1 3 232.368 0.393 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)CCCCCO ZINC000381033385 343776082 /nfs/dbraw/zinc/77/60/82/343776082.db2.gz AHNTVWZGWVBFIC-GFCCVEGCSA-N 1 3 232.368 0.393 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)CCCCCO ZINC000381033387 343776104 /nfs/dbraw/zinc/77/61/04/343776104.db2.gz AHNTVWZGWVBFIC-LBPRGKRZSA-N 1 3 232.368 0.393 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)CCCCCO ZINC000381033387 343776106 /nfs/dbraw/zinc/77/61/06/343776106.db2.gz AHNTVWZGWVBFIC-LBPRGKRZSA-N 1 3 232.368 0.393 20 0 BCADHO CN(C)CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418728986 192065336 /nfs/dbraw/zinc/06/53/36/192065336.db2.gz RJCLDUNUHTUXIP-WDEREUQCSA-N 1 3 242.367 0.365 20 0 BCADHO N[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000577059940 365797837 /nfs/dbraw/zinc/79/78/37/365797837.db2.gz DBKZXGPBVIVYTR-WOPDTQHZSA-N 1 3 237.347 0.467 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179052134 346971659 /nfs/dbraw/zinc/97/16/59/346971659.db2.gz CCNIEOYGIMPMEO-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)C(C)(C)N ZINC000309156067 346972713 /nfs/dbraw/zinc/97/27/13/346972713.db2.gz XKQUXUZGQHETDQ-UHFFFAOYSA-N 1 3 201.314 0.167 20 0 BCADHO CN(C)CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768460 192067189 /nfs/dbraw/zinc/06/71/89/192067189.db2.gz MFDGAKNULTYBGU-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO C[N@H+](CCNC(=O)CN)C1CCCCC1 ZINC000165007122 529913003 /nfs/dbraw/zinc/91/30/03/529913003.db2.gz CAJZUAMYLYVIHH-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[N@@H+](CCNC(=O)CN)C1CCCCC1 ZINC000165007122 529913004 /nfs/dbraw/zinc/91/30/04/529913004.db2.gz CAJZUAMYLYVIHH-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CC[NH2+]1 ZINC000564450586 343938742 /nfs/dbraw/zinc/93/87/42/343938742.db2.gz WDLMBCSYKVVVPE-IUCAKERBSA-N 1 3 211.309 0.125 20 0 BCADHO CCC[C@H](CCO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000634724046 343920706 /nfs/dbraw/zinc/92/07/06/343920706.db2.gz ITWNWEHSDIKFLJ-CHWSQXEVSA-N 1 3 244.379 0.584 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000570684001 323067047 /nfs/dbraw/zinc/06/70/47/323067047.db2.gz UUQJVPNMKGOIBK-ZETCQYMHSA-N 1 3 237.294 0.603 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CC1(C)COC1 ZINC000625789987 344077372 /nfs/dbraw/zinc/07/73/72/344077372.db2.gz AAMUYKIGWUSCHP-LBPRGKRZSA-N 1 3 244.379 0.656 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CC1(C)COC1 ZINC000625789987 344077376 /nfs/dbraw/zinc/07/73/76/344077376.db2.gz AAMUYKIGWUSCHP-LBPRGKRZSA-N 1 3 244.379 0.656 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000130409691 344137278 /nfs/dbraw/zinc/13/72/78/344137278.db2.gz RUWMINDQTYSSCP-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000130409691 344137279 /nfs/dbraw/zinc/13/72/79/344137279.db2.gz RUWMINDQTYSSCP-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000130554785 344148108 /nfs/dbraw/zinc/14/81/08/344148108.db2.gz BOBZJKLQDLNNEF-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000130554785 344148109 /nfs/dbraw/zinc/14/81/09/344148109.db2.gz BOBZJKLQDLNNEF-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CNCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634753627 344207720 /nfs/dbraw/zinc/20/77/20/344207720.db2.gz KJAAJKLFTHPQMZ-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)C[C@H]2CNCCO2)cc1 ZINC000131097130 344239042 /nfs/dbraw/zinc/23/90/42/344239042.db2.gz SQRXTQOQOHDIOD-LBPRGKRZSA-N 1 3 249.314 0.462 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000129085089 344209799 /nfs/dbraw/zinc/20/97/99/344209799.db2.gz YQELTNROUAZZPB-OPRDCNLKSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCCN1 ZINC000131867387 344237607 /nfs/dbraw/zinc/23/76/07/344237607.db2.gz VIRQEYHEBSIUAZ-ZJUUUORDSA-N 1 3 213.325 0.100 20 0 BCADHO CCN[C@H](C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634770021 344284103 /nfs/dbraw/zinc/28/41/03/344284103.db2.gz WRUSRRBLZCZZMF-FOGDFJRCSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH3+])CCN1C ZINC000132972560 344310440 /nfs/dbraw/zinc/31/04/40/344310440.db2.gz AITRGLNQLWBZBM-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000570802152 323070792 /nfs/dbraw/zinc/07/07/92/323070792.db2.gz MJODGTGKLGXWGO-CMPLNLGQSA-N 1 3 241.379 0.912 20 0 BCADHO COC(=O)CCCCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000600706306 344360363 /nfs/dbraw/zinc/36/03/63/344360363.db2.gz UEZKHXYKBLCNQS-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)CCCC[N@@H+]1CC[C@H](N)[C@@H]1C ZINC000600712256 344361817 /nfs/dbraw/zinc/36/18/17/344361817.db2.gz VIGKRIRPRSMKHO-UWVGGRQHSA-N 1 3 214.309 0.751 20 0 BCADHO COC(=O)CCCC[N@H+]1CC[C@H](N)[C@@H]1C ZINC000600712256 344361818 /nfs/dbraw/zinc/36/18/18/344361818.db2.gz VIGKRIRPRSMKHO-UWVGGRQHSA-N 1 3 214.309 0.751 20 0 BCADHO CC[NH+]1CCC(CCNC(=O)C2(N)CC2)CC1 ZINC000236850724 344409687 /nfs/dbraw/zinc/40/96/87/344409687.db2.gz HLGYMKZBAWPFHA-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000381460146 344509427 /nfs/dbraw/zinc/50/94/27/344509427.db2.gz KTOCGPZEHXOOQX-PSASIEDQSA-N 1 3 213.325 0.310 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)N ZINC000041680096 344439844 /nfs/dbraw/zinc/43/98/44/344439844.db2.gz ULNXCUDPGFQXMN-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC[NH2+]C ZINC000043599881 344529589 /nfs/dbraw/zinc/52/95/89/344529589.db2.gz SUQHYKPQUBMBPG-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO [NH3+]C1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000382004752 347053755 /nfs/dbraw/zinc/05/37/55/347053755.db2.gz KQWWNQDAPZDNLY-ZYHUDNBSSA-N 1 3 212.337 0.961 20 0 BCADHO O=C([C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@@H]2C1 ZINC000037812580 344590753 /nfs/dbraw/zinc/59/07/53/344590753.db2.gz AYEYRUHJTMUZHD-VXGBXAGGSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037824246 344593371 /nfs/dbraw/zinc/59/33/71/344593371.db2.gz ASJNMTPLFJZPMM-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H](N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826163 344593471 /nfs/dbraw/zinc/59/34/71/344593471.db2.gz DPNSYNAYWUKCBK-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO COC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000152479861 344577253 /nfs/dbraw/zinc/57/72/53/344577253.db2.gz CXLDDGXHCIOEDH-NSHDSACASA-N 1 3 228.336 0.823 20 0 BCADHO COC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152479861 344577256 /nfs/dbraw/zinc/57/72/56/344577256.db2.gz CXLDDGXHCIOEDH-NSHDSACASA-N 1 3 228.336 0.823 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000237066845 344587723 /nfs/dbraw/zinc/58/77/23/344587723.db2.gz DSTPJKKAPQZGJW-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)[NH3+] ZINC000641494231 362460954 /nfs/dbraw/zinc/46/09/54/362460954.db2.gz UGCDLVFWPRHFLA-JTQLQIEISA-N 1 3 230.356 0.315 20 0 BCADHO CCN(CC)CCC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038778 344688279 /nfs/dbraw/zinc/68/82/79/344688279.db2.gz BVOZZVCCNHGREG-TXEJJXNPSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(CC)CCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038778 344688281 /nfs/dbraw/zinc/68/82/81/344688281.db2.gz BVOZZVCCNHGREG-TXEJJXNPSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCC[NH2+]CC ZINC000309456027 347066681 /nfs/dbraw/zinc/06/66/81/347066681.db2.gz NRMBEXNRPDEMBY-LLVKDONJSA-N 1 3 215.341 0.620 20 0 BCADHO CC(C)(C[NH2+]CCC(N)=O)CN1CCCC1 ZINC000563001966 323079201 /nfs/dbraw/zinc/07/92/01/323079201.db2.gz BENLHSJQTYWZTJ-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO CC(C)(CNCCC(N)=O)C[NH+]1CCCC1 ZINC000563001966 323079200 /nfs/dbraw/zinc/07/92/00/323079200.db2.gz BENLHSJQTYWZTJ-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000578642721 344901732 /nfs/dbraw/zinc/90/17/32/344901732.db2.gz ABRUVFTUMOUSKM-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCNCC1 ZINC000387575781 344939643 /nfs/dbraw/zinc/93/96/43/344939643.db2.gz OHUHXEOJTXTTKP-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(CC2(O)CCOCC2)C1 ZINC000153900809 344998472 /nfs/dbraw/zinc/99/84/72/344998472.db2.gz KBEBHGXFKRDLLB-LBPRGKRZSA-N 1 3 242.363 0.411 20 0 BCADHO CCN1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000245424756 345226551 /nfs/dbraw/zinc/22/65/51/345226551.db2.gz KGMQEKAFIZDBLW-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H]1CN(CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000147459438 537891475 /nfs/dbraw/zinc/89/14/75/537891475.db2.gz KBVOTZRKVWBDBI-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1CN(CC2=CCCOC2)C[C@H]1C[NH3+] ZINC000634999333 345199395 /nfs/dbraw/zinc/19/93/95/345199395.db2.gz SMLDDTCRWXXODD-ZYHUDNBSSA-N 1 3 210.321 0.860 20 0 BCADHO C[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1CN ZINC000634999333 345199399 /nfs/dbraw/zinc/19/93/99/345199399.db2.gz SMLDDTCRWXXODD-ZYHUDNBSSA-N 1 3 210.321 0.860 20 0 BCADHO C[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H]1CN ZINC000634999333 345199401 /nfs/dbraw/zinc/19/94/01/345199401.db2.gz SMLDDTCRWXXODD-ZYHUDNBSSA-N 1 3 210.321 0.860 20 0 BCADHO COCC(C)(C)C[NH+]1CCC(NCCO)CC1 ZINC000635002585 345204599 /nfs/dbraw/zinc/20/45/99/345204599.db2.gz VDNNMUUNOVWCQJ-UHFFFAOYSA-N 1 3 244.379 0.705 20 0 BCADHO CC(C)OCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000635012036 345213588 /nfs/dbraw/zinc/21/35/88/345213588.db2.gz IVOGUSGSEZHESL-GRYCIOLGSA-N 1 3 230.352 0.753 20 0 BCADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)C ZINC000635255022 345288907 /nfs/dbraw/zinc/28/89/07/345288907.db2.gz JIRNSIFNCUOQOW-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CCN1C ZINC000158550494 345347694 /nfs/dbraw/zinc/34/76/94/345347694.db2.gz NHOBNWLZICSKHF-GMTAPVOTSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179050636 534993800 /nfs/dbraw/zinc/99/38/00/534993800.db2.gz JRCNCWSJMJWWDY-JTQLQIEISA-N 1 3 213.325 0.147 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158643949 345359723 /nfs/dbraw/zinc/35/97/23/345359723.db2.gz RHHPFVFQRFJLCN-ZDUSSCGKSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000635420751 345360409 /nfs/dbraw/zinc/36/04/09/345360409.db2.gz HUSJSVJLVZPVPH-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000635420751 345360411 /nfs/dbraw/zinc/36/04/11/345360411.db2.gz HUSJSVJLVZPVPH-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158782262 345376482 /nfs/dbraw/zinc/37/64/82/345376482.db2.gz STGFHXBRLSMNMI-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000158364278 345326862 /nfs/dbraw/zinc/32/68/62/345326862.db2.gz NFQDIYRTZKPSDR-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000449112103 201811906 /nfs/dbraw/zinc/81/19/06/201811906.db2.gz BJKNVZULKXBDET-PRHODGIISA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CCN(C)CC1 ZINC000635526522 345421983 /nfs/dbraw/zinc/42/19/83/345421983.db2.gz ASDWXZUNASPLRY-UWVGGRQHSA-N 1 3 240.351 0.212 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000262595737 534996191 /nfs/dbraw/zinc/99/61/91/534996191.db2.gz UXTCTTJQLACCDZ-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000381354456 345461494 /nfs/dbraw/zinc/46/14/94/345461494.db2.gz CLGBUYFRONGRME-BDAKNGLRSA-N 1 3 213.325 0.310 20 0 BCADHO COC[C@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000068892053 349931079 /nfs/dbraw/zinc/93/10/79/349931079.db2.gz KFJDNFDPOSHHLI-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000068892053 349931082 /nfs/dbraw/zinc/93/10/82/349931082.db2.gz KFJDNFDPOSHHLI-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)[C@H](C(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000219799236 345745971 /nfs/dbraw/zinc/74/59/71/345745971.db2.gz YNHDVOHOGGLSSB-GFCCVEGCSA-N 1 3 243.395 0.983 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000146552292 345713766 /nfs/dbraw/zinc/71/37/66/345713766.db2.gz IHTAALPMXIMOJZ-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000563160309 323097414 /nfs/dbraw/zinc/09/74/14/323097414.db2.gz JLLMYQMDIYQLSH-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000563160309 323097415 /nfs/dbraw/zinc/09/74/15/323097415.db2.gz JLLMYQMDIYQLSH-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@H](CO)C(C)(C)C ZINC000393983663 346018785 /nfs/dbraw/zinc/01/87/85/346018785.db2.gz VFMIMIPPFWPKEC-WDEREUQCSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@H](CO)C(C)(C)C ZINC000393983663 346018786 /nfs/dbraw/zinc/01/87/86/346018786.db2.gz VFMIMIPPFWPKEC-WDEREUQCSA-N 1 3 232.368 0.296 20 0 BCADHO C[C@@H](C(=O)NCc1ccc2c(c1)CNC2)[C@H](C)[NH3+] ZINC000375426974 537937089 /nfs/dbraw/zinc/93/70/89/537937089.db2.gz JTSUUIRGGNFMHE-ZJUUUORDSA-N 1 3 247.342 0.889 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635929597 346111558 /nfs/dbraw/zinc/11/15/58/346111558.db2.gz WXPUHKKBGIBQQS-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635929179 346111616 /nfs/dbraw/zinc/11/16/16/346111616.db2.gz RPXNQPDDBWLIOC-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635929179 346111618 /nfs/dbraw/zinc/11/16/18/346111618.db2.gz RPXNQPDDBWLIOC-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO CN(C)C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000636034132 346169893 /nfs/dbraw/zinc/16/98/93/346169893.db2.gz HTZAKEREILFKPD-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000570097244 346284907 /nfs/dbraw/zinc/28/49/07/346284907.db2.gz YZIVVBOCDDZKQR-MRVPVSSYSA-N 1 3 207.277 0.109 20 0 BCADHO [NH3+]CCCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000069734025 349956404 /nfs/dbraw/zinc/95/64/04/349956404.db2.gz HLMFHPHRIWTKHC-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CN[C@@H](C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000563419081 323123876 /nfs/dbraw/zinc/12/38/76/323123876.db2.gz XZRHLXZVMPBMJE-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CN[C@@H](C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000563419081 323123877 /nfs/dbraw/zinc/12/38/77/323123877.db2.gz XZRHLXZVMPBMJE-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CN(CCc2cncn2C)CC[C@H]1[NH3+] ZINC000641795864 362736577 /nfs/dbraw/zinc/73/65/77/362736577.db2.gz APDPFBASMYPSBI-CMPLNLGQSA-N 1 3 222.336 0.632 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000248942644 346462193 /nfs/dbraw/zinc/46/21/93/346462193.db2.gz AAWDSAKXXYMWMI-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO Cn1cncc1CCN[C@@H](C[NH3+])C(C)(C)C ZINC000641799722 362748365 /nfs/dbraw/zinc/74/83/65/362748365.db2.gz QBFVZKMBBGYYIC-NSHDSACASA-N 1 3 224.352 0.926 20 0 BCADHO C[C@@H]1CN(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)CCO1 ZINC000641801567 362756304 /nfs/dbraw/zinc/75/63/04/362756304.db2.gz SQUCWGUHBXBUGO-GRYCIOLGSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@H]1CN(CC[NH2+][C@@H]2C[C@H](N)C2(C)C)CCO1 ZINC000641801567 362756308 /nfs/dbraw/zinc/75/63/08/362756308.db2.gz SQUCWGUHBXBUGO-GRYCIOLGSA-N 1 3 241.379 0.423 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCOC1CCOCC1 ZINC000641801722 362756929 /nfs/dbraw/zinc/75/69/29/362756929.db2.gz UBCPUSCYFJOTHC-NEPJUHHUSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000641801722 362756931 /nfs/dbraw/zinc/75/69/31/362756931.db2.gz UBCPUSCYFJOTHC-NEPJUHHUSA-N 1 3 242.363 0.897 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000249753051 346499071 /nfs/dbraw/zinc/49/90/71/346499071.db2.gz RZYGVPRTGOOPLS-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@](C)(O)CC1 ZINC000380157929 346582628 /nfs/dbraw/zinc/58/26/28/346582628.db2.gz KFYVXZHHJDJQBD-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@](C)(O)CC1 ZINC000380157929 346582630 /nfs/dbraw/zinc/58/26/30/346582630.db2.gz KFYVXZHHJDJQBD-STQMWFEESA-N 1 3 244.379 0.536 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H](N)C1CCC1 ZINC000580646872 365841673 /nfs/dbraw/zinc/84/16/73/365841673.db2.gz QMKMKTDLNGNBKF-GXSJLCMTSA-N 1 3 227.352 0.748 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)CNC ZINC000178836132 346718310 /nfs/dbraw/zinc/71/83/10/346718310.db2.gz PEFFDOMVEDILJG-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)CNC ZINC000178836132 346718312 /nfs/dbraw/zinc/71/83/12/346718312.db2.gz PEFFDOMVEDILJG-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)COCC2CC2)C1 ZINC000580216272 346699763 /nfs/dbraw/zinc/69/97/63/346699763.db2.gz SYLXOASXPDNPBP-FRRDWIJNSA-N 1 3 242.363 0.633 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000518766808 346792838 /nfs/dbraw/zinc/79/28/38/346792838.db2.gz URQKOGYUTMWHSP-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO OCC1(CCNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000395845484 362799456 /nfs/dbraw/zinc/79/94/56/362799456.db2.gz IRJCJECEQPGPPH-GFCCVEGCSA-N 1 3 242.363 0.195 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000082280637 347328169 /nfs/dbraw/zinc/32/81/69/347328169.db2.gz UHYHWTDBSRCGQL-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000582120891 347391491 /nfs/dbraw/zinc/39/14/91/347391491.db2.gz XGMWBTQYPMJSCX-YFKTTZPYSA-N 1 3 239.363 0.522 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000054076651 347435861 /nfs/dbraw/zinc/43/58/61/347435861.db2.gz IBHYTXWPKVCYTA-IUCAKERBSA-N 1 3 201.314 0.051 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133649 347468998 /nfs/dbraw/zinc/46/89/98/347468998.db2.gz YNUSOUUPRVXKOP-SECBINFHSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133649 347469001 /nfs/dbraw/zinc/46/90/01/347469001.db2.gz YNUSOUUPRVXKOP-SECBINFHSA-N 1 3 201.314 0.180 20 0 BCADHO CN1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000572856070 323149257 /nfs/dbraw/zinc/14/92/57/323149257.db2.gz WPWLXGMPIQJMSR-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000382986596 347522490 /nfs/dbraw/zinc/52/24/90/347522490.db2.gz WFLYNCHHMOVFBY-ZYHUDNBSSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H]([NH3+])C1CCN(Cc2cnn(C)c2)CC1 ZINC000082474651 347615397 /nfs/dbraw/zinc/61/53/97/347615397.db2.gz YLHNKAKRHMATGC-SNVBAGLBSA-N 1 3 222.336 0.979 20 0 BCADHO C[C@@H]([NH3+])C1CCN(Cc2ccnn2C)CC1 ZINC000082474729 347615651 /nfs/dbraw/zinc/61/56/51/347615651.db2.gz QVSDJUPPQYNVDI-SNVBAGLBSA-N 1 3 222.336 0.979 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000571653500 323151201 /nfs/dbraw/zinc/15/12/01/323151201.db2.gz SMSOIYZMAKFGPP-GUBZILKMSA-N 1 3 225.336 0.465 20 0 BCADHO CCOC(=O)CCN(CCC[NH3+])C1CC1 ZINC000591272149 347636493 /nfs/dbraw/zinc/63/64/93/347636493.db2.gz FQEAJNYRUQTQOX-UHFFFAOYSA-N 1 3 214.309 0.753 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C ZINC000591430095 347655258 /nfs/dbraw/zinc/65/52/58/347655258.db2.gz XTCXSEATEJXJQT-ZJUUUORDSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000591430095 347655259 /nfs/dbraw/zinc/65/52/59/347655259.db2.gz XTCXSEATEJXJQT-ZJUUUORDSA-N 1 3 213.325 0.004 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000592331195 347767753 /nfs/dbraw/zinc/76/77/53/347767753.db2.gz OCVKUIHKWWJLQG-BBBLOLIVSA-N 1 3 245.392 0.453 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592329319 347767838 /nfs/dbraw/zinc/76/78/38/347767838.db2.gz XEEJFTXPTAVAGV-UWVGGRQHSA-N 1 3 245.392 0.325 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000577392121 365944282 /nfs/dbraw/zinc/94/42/82/365944282.db2.gz OQOPVWAUIDSSIC-JQWIXIFHSA-N 1 3 239.363 0.537 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000577396943 365945245 /nfs/dbraw/zinc/94/52/45/365945245.db2.gz UQUXWQPPLJNSCA-CIUDSAMLSA-N 1 3 249.305 0.603 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1CCN(C)CC1 ZINC000577399538 365945263 /nfs/dbraw/zinc/94/52/63/365945263.db2.gz LQLJSVIEKFNKSK-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000563716585 323175333 /nfs/dbraw/zinc/17/53/33/323175333.db2.gz YHALTMQKZZGODP-RKDXNWHRSA-N 1 3 249.305 0.617 20 0 BCADHO C[C@@H](CSCCF)NC[C@@H](O)C[NH+](C)C ZINC000595020068 348171392 /nfs/dbraw/zinc/17/13/92/348171392.db2.gz SWUAGPKLDNXIBE-VHSXEESVSA-N 1 3 238.372 0.590 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@]1(F)CCNC1 ZINC000376789441 187388532 /nfs/dbraw/zinc/38/85/32/187388532.db2.gz HZQIXFGPDISOGU-ZYHUDNBSSA-N 1 3 245.342 0.520 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC(F)F)[NH+]1CCCC1 ZINC000383341378 348347767 /nfs/dbraw/zinc/34/77/67/348347767.db2.gz KQQPHOGUBWVMKQ-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)N(C)C ZINC000125099178 187394314 /nfs/dbraw/zinc/39/43/14/187394314.db2.gz ROIWWGMHXKUQEM-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO N[C@H]1C[C@@H]2C[N@H+](CC3CC=CC3)CCN2C1=O ZINC000595902599 348395104 /nfs/dbraw/zinc/39/51/04/348395104.db2.gz AMQQPYKSBQYVME-NEPJUHHUSA-N 1 3 235.331 0.196 20 0 BCADHO N[C@H]1C[C@@H]2C[N@@H+](CC3CC=CC3)CCN2C1=O ZINC000595902599 348395105 /nfs/dbraw/zinc/39/51/05/348395105.db2.gz AMQQPYKSBQYVME-NEPJUHHUSA-N 1 3 235.331 0.196 20 0 BCADHO C[NH2+]C[C@H](C)NC1CCC(C(=O)OC)CC1 ZINC000596108031 348441641 /nfs/dbraw/zinc/44/16/41/348441641.db2.gz TUFGBBYUURFWHP-WHXUTIOJSA-N 1 3 228.336 0.916 20 0 BCADHO Cc1ccncc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000280755641 179486394 /nfs/dbraw/zinc/48/63/94/179486394.db2.gz DCJIZDDKESMCDZ-UHFFFAOYSA-N 1 3 249.358 0.936 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000054076652 348879343 /nfs/dbraw/zinc/87/93/43/348879343.db2.gz IBHYTXWPKVCYTA-BDAKNGLRSA-N 1 3 201.314 0.051 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)C1 ZINC000252598878 349200713 /nfs/dbraw/zinc/20/07/13/349200713.db2.gz KGDFTQXJXFQISV-TUAOUCFPSA-N 1 3 239.363 0.442 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@H]2COCCN2)[C@@H](C)C1 ZINC000530226751 323219441 /nfs/dbraw/zinc/21/94/41/323219441.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H]2COCCN2)[C@@H](C)C1 ZINC000530226751 323219442 /nfs/dbraw/zinc/21/94/42/323219442.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H]2COCCN2)[C@@H](C)C1 ZINC000530226751 323219444 /nfs/dbraw/zinc/21/94/44/323219444.db2.gz YJPXLLTZNBGHFW-AVGNSLFASA-N 1 3 241.379 0.295 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CCC[NH3+] ZINC000061645080 349375987 /nfs/dbraw/zinc/37/59/87/349375987.db2.gz NKVSUJBVOYLWPW-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CCN(C)CCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070619288 350029625 /nfs/dbraw/zinc/02/96/25/350029625.db2.gz SCGXBDZRWWGFBE-LLVKDONJSA-N 1 3 213.325 0.196 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCCC[NH2+]C ZINC000309119916 350036876 /nfs/dbraw/zinc/03/68/76/350036876.db2.gz NEFOZAUPGVPKOQ-SNVBAGLBSA-N 1 3 201.314 0.230 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000603906950 350049445 /nfs/dbraw/zinc/04/94/45/350049445.db2.gz CXBNLFOOUBVIHR-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO CCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103210887 323246065 /nfs/dbraw/zinc/24/60/65/323246065.db2.gz IZAQLVUCPHEOLC-UHFFFAOYSA-N 1 3 229.368 0.738 20 0 BCADHO Cc1cnn(CCN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000304447522 350153598 /nfs/dbraw/zinc/15/35/98/350153598.db2.gz WUOPUHLVBVQCNY-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000427279832 191058687 /nfs/dbraw/zinc/05/86/87/191058687.db2.gz GSIOMMVQJGYHCQ-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000363668703 191064232 /nfs/dbraw/zinc/06/42/32/191064232.db2.gz GNEAPEXKLYIUEE-GUBZILKMSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000363668702 191064381 /nfs/dbraw/zinc/06/43/81/191064381.db2.gz GNEAPEXKLYIUEE-AEJSXWLSSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000370798437 191067932 /nfs/dbraw/zinc/06/79/32/191067932.db2.gz NVCMBTQMNIVZHF-GXSJLCMTSA-N 1 3 231.315 0.178 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000428441432 191073105 /nfs/dbraw/zinc/07/31/05/191073105.db2.gz VYKAOQSZUBUYSV-IJLUTSLNSA-N 1 3 239.363 0.680 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000428441434 191073420 /nfs/dbraw/zinc/07/34/20/191073420.db2.gz VYKAOQSZUBUYSV-TUAOUCFPSA-N 1 3 239.363 0.680 20 0 BCADHO CCN1CCC[C@@H]1CN[C@H](C)C1C[NH2+]C1 ZINC000422769021 192461732 /nfs/dbraw/zinc/46/17/32/192461732.db2.gz ZWRAGSZWFABDRJ-ZYHUDNBSSA-N 1 3 211.353 0.668 20 0 BCADHO CC[NH+]1CCC(NC(=O)C2(N)CCCC2)CC1 ZINC000038098314 350308949 /nfs/dbraw/zinc/30/89/49/350308949.db2.gz JBOQOICVMBIWGA-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000309395602 350367259 /nfs/dbraw/zinc/36/72/59/350367259.db2.gz GNVWMHMPTFNPOZ-UTLUCORTSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]([NH3+])c1ccc(CNC(=O)CN)cc1 ZINC000309372109 350354815 /nfs/dbraw/zinc/35/48/15/350354815.db2.gz CBVYAHZREUOMCO-QMMMGPOBSA-N 1 3 207.277 0.281 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000069840047 350415035 /nfs/dbraw/zinc/41/50/35/350415035.db2.gz PVZVFMCWJAFAEE-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]1CN(C)C ZINC000069840252 350418521 /nfs/dbraw/zinc/41/85/21/350418521.db2.gz WIHPKUSUINNUBC-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000309301876 323341687 /nfs/dbraw/zinc/34/16/87/323341687.db2.gz UGACKZJWHLSCOT-UTLUCORTSA-N 1 3 213.325 0.165 20 0 BCADHO C[C@@H]1NCCN(C(=O)NCC[NH2+]C2CC2)[C@H]1C ZINC000637339553 350465893 /nfs/dbraw/zinc/46/58/93/350465893.db2.gz JMKKFIQEVWJAJJ-UWVGGRQHSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000228005570 350524181 /nfs/dbraw/zinc/52/41/81/350524181.db2.gz TYBYVUQANOMUIO-ZYHUDNBSSA-N 1 3 241.379 0.816 20 0 BCADHO COC[C@@H](O)CNC1CC[NH+](C(C)C)CC1 ZINC000070589342 350543334 /nfs/dbraw/zinc/54/33/34/350543334.db2.gz DAYNYTNIRYKFGF-LBPRGKRZSA-N 1 3 230.352 0.456 20 0 BCADHO C[NH2+]CC1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000070583844 350543694 /nfs/dbraw/zinc/54/36/94/350543694.db2.gz MFBCBQVYRYWLFJ-NSHDSACASA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]CC1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000070583843 350543895 /nfs/dbraw/zinc/54/38/95/350543895.db2.gz MFBCBQVYRYWLFJ-LLVKDONJSA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000309515504 350694649 /nfs/dbraw/zinc/69/46/49/350694649.db2.gz YMRZONWTFFTBPV-VHSXEESVSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237420471 350749449 /nfs/dbraw/zinc/74/94/49/350749449.db2.gz COHZOHIZHCXMBH-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CN)C1 ZINC000236770180 350742115 /nfs/dbraw/zinc/74/21/15/350742115.db2.gz BKWXOQMSRNXKGZ-JTQLQIEISA-N 1 3 213.325 0.039 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CN)C1 ZINC000236770180 350742118 /nfs/dbraw/zinc/74/21/18/350742118.db2.gz BKWXOQMSRNXKGZ-JTQLQIEISA-N 1 3 213.325 0.039 20 0 BCADHO CNC(=O)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000398309990 351024250 /nfs/dbraw/zinc/02/42/50/351024250.db2.gz XHDGAHLFBDFAAK-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO CCOC[C@H]1CCCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000577617930 366019429 /nfs/dbraw/zinc/01/94/29/366019429.db2.gz TWMAUWOZBIJION-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H]1CCC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000577617930 366019434 /nfs/dbraw/zinc/01/94/34/366019434.db2.gz TWMAUWOZBIJION-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H]1CCC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000577617930 366019436 /nfs/dbraw/zinc/01/94/36/366019436.db2.gz TWMAUWOZBIJION-STQMWFEESA-N 1 3 244.379 0.705 20 0 BCADHO CN(C(=O)[C@]1(C)CCC[NH2+]1)C1CCN(C)CC1 ZINC000079510796 351066890 /nfs/dbraw/zinc/06/68/90/351066890.db2.gz LTXZHJWFNUGLCF-ZDUSSCGKSA-N 1 3 239.363 0.681 20 0 BCADHO COc1cccc([C@@H]2CNCCN2CC[NH3+])c1 ZINC000616636133 351123009 /nfs/dbraw/zinc/12/30/09/351123009.db2.gz RLAGETFEBCQTGJ-ZDUSSCGKSA-N 1 3 235.331 0.600 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079520629 351071202 /nfs/dbraw/zinc/07/12/02/351071202.db2.gz ZVQJUSGUCPKEOZ-WCQYABFASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](O)CN(C)[C@@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183130 191136743 /nfs/dbraw/zinc/13/67/43/191136743.db2.gz NLKRIBFZIWECIU-RWMBFGLXSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H](O)CN(C)[C@@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183130 191136745 /nfs/dbraw/zinc/13/67/45/191136745.db2.gz NLKRIBFZIWECIU-RWMBFGLXSA-N 1 3 244.379 0.534 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)C1(N)CCC1 ZINC000088050959 351539075 /nfs/dbraw/zinc/53/90/75/351539075.db2.gz PLKZMAKDNPPNHC-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCN(CCNC(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000626965096 363066633 /nfs/dbraw/zinc/06/66/33/363066633.db2.gz QTOUKRLDUAFYQJ-SNVBAGLBSA-N 1 3 240.351 0.132 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC000637802713 351634724 /nfs/dbraw/zinc/63/47/24/351634724.db2.gz SZGANNASKXXHNH-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000637820844 351661523 /nfs/dbraw/zinc/66/15/23/351661523.db2.gz JNHZMUZFCGCTTI-UWVGGRQHSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH+](C)CC1(C(=O)N2CCCNCC2)CC1 ZINC000637804037 351640215 /nfs/dbraw/zinc/64/02/15/351640215.db2.gz SLDVEBOWXCQJTN-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000637809244 351646176 /nfs/dbraw/zinc/64/61/76/351646176.db2.gz NYFAIHVDXJIGHL-NWDGAFQWSA-N 1 3 249.314 0.461 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000637811920 351647712 /nfs/dbraw/zinc/64/77/12/351647712.db2.gz SOUXUEWQBSNPQL-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO CN(CC(=O)N[C@@H]1CC[NH2+]C1)CC(C)(C)C ZINC000637810163 351650346 /nfs/dbraw/zinc/65/03/46/351650346.db2.gz BAYSWJGQIRKCKC-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO CCN[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637814161 351658381 /nfs/dbraw/zinc/65/83/81/351658381.db2.gz IPXFAIDEWRJMJL-NXEZZACHSA-N 1 3 213.325 0.100 20 0 BCADHO CC[C@H](C(=O)N1CCNC[C@@H]1C)[NH+](C)C ZINC000637817748 351662759 /nfs/dbraw/zinc/66/27/59/351662759.db2.gz BSCWUPONFQOUHX-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO CCN[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000637814166 351659249 /nfs/dbraw/zinc/65/92/49/351659249.db2.gz IPXFAIDEWRJMJL-ZJUUUORDSA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000637799196 351628691 /nfs/dbraw/zinc/62/86/91/351628691.db2.gz RXXRZJSZUDGIRE-NSHDSACASA-N 1 3 227.352 0.700 20 0 BCADHO N[C@H]1CCO[C@H]1C(=O)Nc1cccc(C[NH3+])c1 ZINC000637800973 351630796 /nfs/dbraw/zinc/63/07/96/351630796.db2.gz JVPKUUQOGWSYER-WDEREUQCSA-N 1 3 235.287 0.200 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000637848838 351706316 /nfs/dbraw/zinc/70/63/16/351706316.db2.gz KWXLUJSWQKEJCP-SECBINFHSA-N 1 3 224.308 0.360 20 0 BCADHO C[C@H]([NH3+])CC(=O)NC[C@@H](N)c1ccccc1 ZINC000637833609 351684061 /nfs/dbraw/zinc/68/40/61/351684061.db2.gz UVDGVVURZACQBX-GXSJLCMTSA-N 1 3 221.304 0.540 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000637835349 351686261 /nfs/dbraw/zinc/68/62/61/351686261.db2.gz MJBQPDJYHIKGIR-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000637836146 351687640 /nfs/dbraw/zinc/68/76/40/351687640.db2.gz SNZHTIPVEMPQMC-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC([NH2+]C)CC1 ZINC000637837379 351691423 /nfs/dbraw/zinc/69/14/23/351691423.db2.gz FMPFNIXGXSJZNM-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637838634 351693696 /nfs/dbraw/zinc/69/36/96/351693696.db2.gz ACCWZECUGFIBTN-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H](C)N1 ZINC000637840612 351695905 /nfs/dbraw/zinc/69/59/05/351695905.db2.gz PMVJPALTVUUIQP-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)N1 ZINC000637840612 351695908 /nfs/dbraw/zinc/69/59/08/351695908.db2.gz PMVJPALTVUUIQP-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)NC(CC)(CC)C[NH3+])N(C)C ZINC000637841602 351697744 /nfs/dbraw/zinc/69/77/44/351697744.db2.gz UGOCVLSUNVRABW-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH3+])N(C)C ZINC000637843123 351701379 /nfs/dbraw/zinc/70/13/79/351701379.db2.gz VVGBILPODNQQQF-IUCAKERBSA-N 1 3 201.314 0.132 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000637843143 351701488 /nfs/dbraw/zinc/70/14/88/351701488.db2.gz WLNPDCDXGZYDMR-NXEZZACHSA-N 1 3 215.341 0.556 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C ZINC000637842928 351701508 /nfs/dbraw/zinc/70/15/08/351701508.db2.gz BASQMLKKOUEIMN-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCN[C@H](C)C1 ZINC000577708939 366041387 /nfs/dbraw/zinc/04/13/87/366041387.db2.gz KRZAVZZGXQIVCQ-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000637822570 351667119 /nfs/dbraw/zinc/66/71/19/351667119.db2.gz LCXDIABYOARGCC-GHMZBOCLSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)CN(C)CC(C)(C)C ZINC000637823768 351669213 /nfs/dbraw/zinc/66/92/13/351669213.db2.gz IJMKAGBTOFGIAJ-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CCN[C@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000637828140 351671319 /nfs/dbraw/zinc/67/13/19/351671319.db2.gz CCMIBHIVEMCBMA-SNVBAGLBSA-N 1 3 215.341 0.489 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827250 351675894 /nfs/dbraw/zinc/67/58/94/351675894.db2.gz OILSMQLDMDMKFD-QWRGUYRKSA-N 1 3 227.352 0.618 20 0 BCADHO CN(CC(=O)NCC(C)(C)[NH3+])CC(C)(C)C ZINC000637857886 351718549 /nfs/dbraw/zinc/71/85/49/351718549.db2.gz RBKKZRCPDWEBNA-UHFFFAOYSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000637861663 351722735 /nfs/dbraw/zinc/72/27/35/351722735.db2.gz JRYPFSAEWABFLK-SNVBAGLBSA-N 1 3 229.368 0.770 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]C)N(C)C ZINC000637862231 351723055 /nfs/dbraw/zinc/72/30/55/351723055.db2.gz MLYPXAVWILKPHF-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCN1C ZINC000626986087 363084490 /nfs/dbraw/zinc/08/44/90/363084490.db2.gz ADMLFSCBNCVFTH-OUAUKWLOSA-N 1 3 240.351 0.130 20 0 BCADHO N[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000577849003 366072366 /nfs/dbraw/zinc/07/23/66/366072366.db2.gz RQZJEDFCCJBBND-NEPJUHHUSA-N 1 3 239.363 0.762 20 0 BCADHO N[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000577849006 366074058 /nfs/dbraw/zinc/07/40/58/366074058.db2.gz RQZJEDFCCJBBND-VXGBXAGGSA-N 1 3 239.363 0.762 20 0 BCADHO N[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000577849004 366075176 /nfs/dbraw/zinc/07/51/76/366075176.db2.gz RQZJEDFCCJBBND-NWDGAFQWSA-N 1 3 239.363 0.762 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000638075244 351947094 /nfs/dbraw/zinc/94/70/94/351947094.db2.gz DAMYKDZEXGMUMD-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1CC ZINC000638047436 351926828 /nfs/dbraw/zinc/92/68/28/351926828.db2.gz HNNXLYMZAPJZRO-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000638069355 351941228 /nfs/dbraw/zinc/94/12/28/351941228.db2.gz JMNCTBKFKPFMIA-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000638070706 351942356 /nfs/dbraw/zinc/94/23/56/351942356.db2.gz VFGURGLCWAHFQP-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO COC[C@@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000574983804 351888682 /nfs/dbraw/zinc/88/86/82/351888682.db2.gz BYTOSVVRCDJHKF-OLZOCXBDSA-N 1 3 244.379 0.848 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000638075245 351946567 /nfs/dbraw/zinc/94/65/67/351946567.db2.gz DAMYKDZEXGMUMD-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000638145225 352008246 /nfs/dbraw/zinc/00/82/46/352008246.db2.gz QAGITPPZBRYFNA-JTQLQIEISA-N 1 3 229.368 0.675 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)CCC(C)C ZINC000638147863 352009776 /nfs/dbraw/zinc/00/97/76/352009776.db2.gz POXCKLNNZIJDFL-LLVKDONJSA-N 1 3 229.368 0.866 20 0 BCADHO CC(C)C[C@@H](CNC(=O)C1(N)CC1)[NH+](C)C ZINC000083835357 351956859 /nfs/dbraw/zinc/95/68/59/351956859.db2.gz UKCMRHXLVNUDAE-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CCC2C[NH2+]C2)C1 ZINC000638126491 351998148 /nfs/dbraw/zinc/99/81/48/351998148.db2.gz NFSWBAJVQMMUBZ-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000638133516 352000378 /nfs/dbraw/zinc/00/03/78/352000378.db2.gz IIGXRRQEFNXQPG-FOGDFJRCSA-N 1 3 239.363 0.583 20 0 BCADHO CCN[C@@H](C)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638138570 352002617 /nfs/dbraw/zinc/00/26/17/352002617.db2.gz HUXUXCNNQQKIIQ-GXSJLCMTSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000638140370 352003961 /nfs/dbraw/zinc/00/39/61/352003961.db2.gz AIOVEIDEVUMMIS-VHSXEESVSA-N 1 3 215.341 0.461 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000638176102 352041983 /nfs/dbraw/zinc/04/19/83/352041983.db2.gz CCIFVONQJMGKIT-SRVKXCTJSA-N 1 3 241.379 0.864 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000638175939 352042330 /nfs/dbraw/zinc/04/23/30/352042330.db2.gz ACPVIAUBGWANQX-LDYMZIIASA-N 1 3 236.319 0.375 20 0 BCADHO C[C@H]1NCCN(C(=O)CCC2C[NH2+]C2)[C@H]1C ZINC000638203814 352065311 /nfs/dbraw/zinc/06/53/11/352065311.db2.gz HRSBGZBZQYLBGS-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC000638204087 352065744 /nfs/dbraw/zinc/06/57/44/352065744.db2.gz IJIHXNGGDJRYNM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC000638204087 352065748 /nfs/dbraw/zinc/06/57/48/352065748.db2.gz IJIHXNGGDJRYNM-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)NC1(C)CC[NH2+]CC1)N(C)C ZINC000638207264 352066647 /nfs/dbraw/zinc/06/66/47/352066647.db2.gz YRXNUFUOEXRCOT-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000638205174 352067365 /nfs/dbraw/zinc/06/73/65/352067365.db2.gz GRZJCIRJBKMZQL-IVZWLZJFSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000638208927 352071213 /nfs/dbraw/zinc/07/12/13/352071213.db2.gz WVXPZRXRUGVZBX-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214324 352076425 /nfs/dbraw/zinc/07/64/25/352076425.db2.gz YXXYKKBCAQANQX-GRYCIOLGSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)CN1 ZINC000638160470 352024620 /nfs/dbraw/zinc/02/46/20/352024620.db2.gz XXTFDDMBLAWKPK-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000638160750 352025381 /nfs/dbraw/zinc/02/53/81/352025381.db2.gz JUQSDIYFSJNMLU-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO CCN[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638166272 352030792 /nfs/dbraw/zinc/03/07/92/352030792.db2.gz WEMCDGWVGMDVOF-JQWIXIFHSA-N 1 3 227.352 0.490 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000638169815 352033663 /nfs/dbraw/zinc/03/36/63/352033663.db2.gz MGCYTACSVYOLOT-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CCN(C)CC1 ZINC000638171389 352038651 /nfs/dbraw/zinc/03/86/51/352038651.db2.gz VEVRGALWCVETQZ-NSHDSACASA-N 1 3 237.347 0.587 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000638287977 352124696 /nfs/dbraw/zinc/12/46/96/352124696.db2.gz YOFFKZQAVDHQRA-TUAOUCFPSA-N 1 3 241.379 0.783 20 0 BCADHO CO[C@@H](CNCCC[NH+](C)C)[C@@H]1CCOC1 ZINC000638289231 352125067 /nfs/dbraw/zinc/12/50/67/352125067.db2.gz FVEAEHOJCAUGDO-NEPJUHHUSA-N 1 3 230.352 0.579 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)CN(C)CC(C)(C)C ZINC000638236276 352086877 /nfs/dbraw/zinc/08/68/77/352086877.db2.gz AQWJDNKMMWVRJY-QWRGUYRKSA-N 1 3 241.379 0.912 20 0 BCADHO CCN[C@@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638235953 352087077 /nfs/dbraw/zinc/08/70/77/352087077.db2.gz SPBSVCACAGOGIE-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243572 352094088 /nfs/dbraw/zinc/09/40/88/352094088.db2.gz BHDHVQDWPIIOJM-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H](C)[NH3+] ZINC000638254865 352097994 /nfs/dbraw/zinc/09/79/94/352097994.db2.gz IZLVKFGUONKNCE-VHSXEESVSA-N 1 3 229.368 0.816 20 0 BCADHO CCN[C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638261436 352103516 /nfs/dbraw/zinc/10/35/16/352103516.db2.gz GJWYNQWAPOZSGW-WDEREUQCSA-N 1 3 227.352 0.633 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638261277 352103652 /nfs/dbraw/zinc/10/36/52/352103652.db2.gz DJYWHEUZKRWTSI-UWVGGRQHSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960729 352105689 /nfs/dbraw/zinc/10/56/89/352105689.db2.gz JPOAFKIOIQYIOS-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960729 352105692 /nfs/dbraw/zinc/10/56/92/352105692.db2.gz JPOAFKIOIQYIOS-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000638265514 352105834 /nfs/dbraw/zinc/10/58/34/352105834.db2.gz DEMIPLZMMVFPJC-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638276219 352113306 /nfs/dbraw/zinc/11/33/06/352113306.db2.gz RPEAPLIEWRWZQF-NWDGAFQWSA-N 1 3 237.347 0.587 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(CCOC)CCN(C)C ZINC000638278752 352115531 /nfs/dbraw/zinc/11/55/31/352115531.db2.gz VFSFQMGLGDLCLZ-NSHDSACASA-N 1 3 245.367 0.021 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N2CCN3CCC2CC3)C1 ZINC000638279102 352115710 /nfs/dbraw/zinc/11/57/10/352115710.db2.gz JTHBNORNWWWYGK-NSHDSACASA-N 1 3 235.331 0.341 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000638369951 352180061 /nfs/dbraw/zinc/18/00/61/352180061.db2.gz JQQIXTDIBNUFDU-DCAQKATOSA-N 1 3 229.368 0.992 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000638368969 352180730 /nfs/dbraw/zinc/18/07/30/352180730.db2.gz CPBBZMMBACLOMR-HTQZYQBOSA-N 1 3 224.308 0.503 20 0 BCADHO CCCN(CCN(C)C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638376304 352186396 /nfs/dbraw/zinc/18/63/96/352186396.db2.gz JKVRWXDFTBCWTJ-GFCCVEGCSA-N 1 3 239.363 0.834 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000638312240 352138017 /nfs/dbraw/zinc/13/80/17/352138017.db2.gz FCRDSNJQNUMJJV-WOPDTQHZSA-N 1 3 239.363 0.537 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)[C@@H]2C1 ZINC000638313323 352139949 /nfs/dbraw/zinc/13/99/49/352139949.db2.gz UAEZXTVRPIBFLO-KGYLQXTDSA-N 1 3 249.358 0.587 20 0 BCADHO CC[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)N(C)C ZINC000638325803 352145573 /nfs/dbraw/zinc/14/55/73/352145573.db2.gz GYYZOIPUEZNFQS-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC000638430772 352238619 /nfs/dbraw/zinc/23/86/19/352238619.db2.gz BBOYARLIWMSDOP-SNVBAGLBSA-N 1 3 229.368 0.688 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000638399540 352203976 /nfs/dbraw/zinc/20/39/76/352203976.db2.gz ITFKJRIRYUYEON-SRVKXCTJSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638437772 352245068 /nfs/dbraw/zinc/24/50/68/352245068.db2.gz UVRVECMYPOEZDT-ZYHUDNBSSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@@H](C(=O)N1CCNC[C@H]1C(C)C)[NH+](C)C ZINC000638491412 352302300 /nfs/dbraw/zinc/30/23/00/352302300.db2.gz IDYOOALJGJLUJD-RYUDHWBXSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)C ZINC000638511901 352336298 /nfs/dbraw/zinc/33/62/98/352336298.db2.gz HRBWKGYWLFKWKU-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638513600 352339130 /nfs/dbraw/zinc/33/91/30/352339130.db2.gz NQVDGRNZGKZJAZ-UWVGGRQHSA-N 1 3 225.336 0.385 20 0 BCADHO CCN(CC[NH3+])C(=O)c1ccc2c(c1)CNC2 ZINC000638517088 352347042 /nfs/dbraw/zinc/34/70/42/352347042.db2.gz MAODHDJZKJPERJ-UHFFFAOYSA-N 1 3 233.315 0.711 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000638566604 352393089 /nfs/dbraw/zinc/39/30/89/352393089.db2.gz AKLNWMMJMQUUGB-AEJSXWLSSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638653808 352494057 /nfs/dbraw/zinc/49/40/57/352494057.db2.gz HJORRMCCFJXBNF-MXWKQRLJSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000638641164 352483346 /nfs/dbraw/zinc/48/33/46/352483346.db2.gz BXULFSJYAKDKSE-KKOKHZNYSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)C(N)C(F)(F)F)C[NH2+]1 ZINC000638642361 352485894 /nfs/dbraw/zinc/48/58/94/352485894.db2.gz IXOXKVPVUHTZMW-FSDSQADBSA-N 1 3 239.241 0.133 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643563 352486178 /nfs/dbraw/zinc/48/61/78/352486178.db2.gz LTPACJAYAQXGPQ-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643909 352486349 /nfs/dbraw/zinc/48/63/49/352486349.db2.gz NEBOGDGGOBIUDU-VLEAKVRGSA-N 1 3 227.352 0.617 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCc2cnccn2)C1 ZINC000390090827 352486735 /nfs/dbraw/zinc/48/67/35/352486735.db2.gz BRDBPSVJWPWRFF-GHMZBOCLSA-N 1 3 220.320 0.879 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCc2cnccn2)C1 ZINC000390090830 352486750 /nfs/dbraw/zinc/48/67/50/352486750.db2.gz BRDBPSVJWPWRFF-WDEREUQCSA-N 1 3 220.320 0.879 20 0 BCADHO O=C([C@@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000040467841 352598571 /nfs/dbraw/zinc/59/85/71/352598571.db2.gz ZOSYSAXPUPXVDY-QWRGUYRKSA-N 1 3 223.320 0.045 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807178 352604566 /nfs/dbraw/zinc/60/45/66/352604566.db2.gz JQBLLONYWZTMPB-ZJUUUORDSA-N 1 3 229.368 0.816 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638727247 352585714 /nfs/dbraw/zinc/58/57/14/352585714.db2.gz DXIYGLWZSOITDZ-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514410 352653571 /nfs/dbraw/zinc/65/35/71/352653571.db2.gz MSRJWOZMLCSYIG-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@H]2CCCCN2)CC1 ZINC000044526622 352654824 /nfs/dbraw/zinc/65/48/24/352654824.db2.gz QBZDOKCLXYSURH-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1NCCCC1(C)C ZINC000638766447 352705532 /nfs/dbraw/zinc/70/55/32/352705532.db2.gz XMWRKQNMGQMHSC-AXFHLTTASA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](CN)c1ccccc1 ZINC000638774199 352716185 /nfs/dbraw/zinc/71/61/85/352716185.db2.gz XRYIBOKYHPHIJS-WCFLWFBJSA-N 1 3 247.342 0.596 20 0 BCADHO C[C@@H]1NCCN(C(=O)C2CC[NH2+]CC2)[C@H]1C ZINC000334212387 352809992 /nfs/dbraw/zinc/80/99/92/352809992.db2.gz RKZXPTDTDQBUGE-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO NC1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CCC1 ZINC000638841288 353018024 /nfs/dbraw/zinc/01/80/24/353018024.db2.gz USQVPUPJSBDLSN-SNVBAGLBSA-N 1 3 225.336 0.598 20 0 BCADHO CCC1([NH+]2CCCC2)CCN(C(=O)CN)CC1 ZINC000638862226 353031548 /nfs/dbraw/zinc/03/15/48/353031548.db2.gz ONIBSGATHSIVOR-UHFFFAOYSA-N 1 3 239.363 0.812 20 0 BCADHO NC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638909341 353066353 /nfs/dbraw/zinc/06/63/53/353066353.db2.gz FKLZPWMWNFTNPV-AVGNSLFASA-N 1 3 245.326 0.302 20 0 BCADHO NC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccccc1 ZINC000638909342 353066445 /nfs/dbraw/zinc/06/64/45/353066445.db2.gz FKLZPWMWNFTNPV-RWMBFGLXSA-N 1 3 245.326 0.302 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873808 353043660 /nfs/dbraw/zinc/04/36/60/353043660.db2.gz LSUYVDVFBDAWEQ-STQMWFEESA-N 1 3 249.358 0.800 20 0 BCADHO C[C@H](N)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638873865 353043666 /nfs/dbraw/zinc/04/36/66/353043666.db2.gz MOBBONCDAAUUBS-CMPLNLGQSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873867 353043734 /nfs/dbraw/zinc/04/37/34/353043734.db2.gz MOBBONCDAAUUBS-PWSUYJOCSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@H](N)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873866 353043935 /nfs/dbraw/zinc/04/39/35/353043935.db2.gz MOBBONCDAAUUBS-JQWIXIFHSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CCCCN2)C[C@H]1C[NH3+] ZINC000638884055 353051306 /nfs/dbraw/zinc/05/13/06/353051306.db2.gz FBCKLJIQEYNLOJ-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc2c(c1)CNC2 ZINC000638937690 353111569 /nfs/dbraw/zinc/11/15/69/353111569.db2.gz UOVXKWWZSAXYNC-ZANVPECISA-N 1 3 245.326 0.852 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919987 353078912 /nfs/dbraw/zinc/07/89/12/353078912.db2.gz XCCUWRRMCCLUEP-MMWGEVLESA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000638926668 353087279 /nfs/dbraw/zinc/08/72/79/353087279.db2.gz KEJRXUWZZWVSQC-OUAUKWLOSA-N 1 3 225.336 0.289 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943093 353141385 /nfs/dbraw/zinc/14/13/85/353141385.db2.gz ODQHMJHAWQWHPM-DCAQKATOSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373052894 188075174 /nfs/dbraw/zinc/07/51/74/188075174.db2.gz DGAICUFEZGBEQA-HBNTYKKESA-N 1 3 239.363 0.570 20 0 BCADHO CN(C)CCOCC[NH2+][C@@H]1CCOC1(C)C ZINC000336908260 188084131 /nfs/dbraw/zinc/08/41/31/188084131.db2.gz ZYGYCZGEQPFVRE-LLVKDONJSA-N 1 3 230.352 0.722 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)C(C)C ZINC000336710137 188084344 /nfs/dbraw/zinc/08/43/44/188084344.db2.gz SZGLCKPMSBJFPQ-IUCAKERBSA-N 1 3 201.314 0.069 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@@H](C)O)CC1 ZINC000035112472 188111263 /nfs/dbraw/zinc/11/12/63/188111263.db2.gz LYFUTPXOJCXXLY-SNVBAGLBSA-N 1 3 200.326 0.830 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000246291015 188154822 /nfs/dbraw/zinc/15/48/22/188154822.db2.gz NFQDIYRTZKPSDR-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368226162 188155229 /nfs/dbraw/zinc/15/52/29/188155229.db2.gz MVFTVTHGMVRHNQ-AXFHLTTASA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000309252478 188167476 /nfs/dbraw/zinc/16/74/76/188167476.db2.gz FJSZASAGEGUWSQ-GXSJLCMTSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH3+] ZINC000236647828 188148532 /nfs/dbraw/zinc/14/85/32/188148532.db2.gz CRIJTGTZLGDVOB-SECBINFHSA-N 1 3 201.314 0.132 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236754053 188190898 /nfs/dbraw/zinc/19/08/98/188190898.db2.gz TZZZLZVLXSYHGL-QWRGUYRKSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000639000716 353244500 /nfs/dbraw/zinc/24/45/00/353244500.db2.gz ATYJDKOWAYDUHT-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250568508 188221218 /nfs/dbraw/zinc/22/12/18/188221218.db2.gz HFNDKUBMEPMVOU-SRVKXCTJSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250568508 188221219 /nfs/dbraw/zinc/22/12/19/188221219.db2.gz HFNDKUBMEPMVOU-SRVKXCTJSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000250234545 353269776 /nfs/dbraw/zinc/26/97/76/353269776.db2.gz HBXIQPSTUIZWQX-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000250234545 353269782 /nfs/dbraw/zinc/26/97/82/353269782.db2.gz HBXIQPSTUIZWQX-MXWKQRLJSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639025501 353284464 /nfs/dbraw/zinc/28/44/64/353284464.db2.gz YMIXMMRHYCKOTL-CMPLNLGQSA-N 1 3 247.342 0.888 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000137322904 188224463 /nfs/dbraw/zinc/22/44/63/188224463.db2.gz QZKWBWZCAAFRNR-GHMZBOCLSA-N 1 3 227.352 0.426 20 0 BCADHO [NH3+][C@H]1CC[C@H](NC(=O)CNC2CC2)CC1 ZINC000639030996 353298380 /nfs/dbraw/zinc/29/83/80/353298380.db2.gz NFODYUXBKJLKIN-CZMCAQCFSA-N 1 3 211.309 0.125 20 0 BCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(N)CC1 ZINC000165319194 353298699 /nfs/dbraw/zinc/29/86/99/353298699.db2.gz DOONSTRLXOKLLF-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1(N)CC1 ZINC000165319194 353298703 /nfs/dbraw/zinc/29/87/03/353298703.db2.gz DOONSTRLXOKLLF-SNVBAGLBSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000639031962 353301491 /nfs/dbraw/zinc/30/14/91/353301491.db2.gz JMQVVGKPGUMSQK-KKOKHZNYSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000252651519 353303781 /nfs/dbraw/zinc/30/37/81/353303781.db2.gz QECSGCRPSMSQJA-DCAQKATOSA-N 1 3 227.352 0.441 20 0 BCADHO CO[C@H](CNC[C@@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000639049026 353339828 /nfs/dbraw/zinc/33/98/28/353339828.db2.gz GSMLYRXEBYMQCW-STQMWFEESA-N 1 3 244.379 0.704 20 0 BCADHO CO[C@H](CNC[C@@]1(O)CC[N@@H+](C)C1)CC(C)C ZINC000639049026 353339831 /nfs/dbraw/zinc/33/98/31/353339831.db2.gz GSMLYRXEBYMQCW-STQMWFEESA-N 1 3 244.379 0.704 20 0 BCADHO C[C@@H](C(=O)N1CCC[C@@H]1CN(C)C)[C@H](C)[NH3+] ZINC000165431101 353348300 /nfs/dbraw/zinc/34/83/00/353348300.db2.gz LLOUMQKGFNBOFO-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]1CN(CC2CC[NH2+]CC2)C[C@@H](CO)O1 ZINC000230072788 353419361 /nfs/dbraw/zinc/41/93/61/353419361.db2.gz KOTFVZWGFHQFIP-PWSUYJOCSA-N 1 3 228.336 0.068 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000165688019 353453607 /nfs/dbraw/zinc/45/36/07/353453607.db2.gz CBQHFVYONRBHMQ-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC1(C)SC[C@H]1[NH2+]C[C@@H](O)CN1CCCC1 ZINC000393825884 353455423 /nfs/dbraw/zinc/45/54/23/353455423.db2.gz GORFEOAETCZZSO-GHMZBOCLSA-N 1 3 244.404 0.927 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000167450004 133973275 /nfs/dbraw/zinc/97/32/75/133973275.db2.gz UBJAMWBSDOZDFD-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000193300689 353589793 /nfs/dbraw/zinc/58/97/93/353589793.db2.gz JZAVKZAMWUQQRZ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062112411 353550842 /nfs/dbraw/zinc/55/08/42/353550842.db2.gz QFFWTMABOORHKT-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115322 353551546 /nfs/dbraw/zinc/55/15/46/353551546.db2.gz LVFSJNWEQQVTLY-GFCCVEGCSA-N 1 3 241.379 0.642 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000577866482 366091558 /nfs/dbraw/zinc/09/15/58/366091558.db2.gz RDZHNTOOVZWRKO-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000577866482 366091560 /nfs/dbraw/zinc/09/15/60/366091560.db2.gz RDZHNTOOVZWRKO-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@]1(C(=O)NC[C@@H]2CCCN2C)CCC[NH2+]1 ZINC000231786580 353655157 /nfs/dbraw/zinc/65/51/57/353655157.db2.gz DOHPQRTUZYBHEC-WCQYABFASA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000083835296 353703122 /nfs/dbraw/zinc/70/31/22/353703122.db2.gz WGISDMCTKVQNQF-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000083835296 353703125 /nfs/dbraw/zinc/70/31/25/353703125.db2.gz WGISDMCTKVQNQF-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCN1C ZINC000627096240 363253293 /nfs/dbraw/zinc/25/32/93/363253293.db2.gz SWIFHCUXDYBTIH-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCCN1C ZINC000627096242 363253343 /nfs/dbraw/zinc/25/33/43/363253343.db2.gz SWIFHCUXDYBTIH-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000343437017 353886091 /nfs/dbraw/zinc/88/60/91/353886091.db2.gz MZCVDMQWJTUQIA-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000343442082 353889169 /nfs/dbraw/zinc/88/91/69/353889169.db2.gz RMBWKUFHDRSXQH-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@@H]1CSCCN1 ZINC000343587736 353940978 /nfs/dbraw/zinc/94/09/78/353940978.db2.gz DQTONIZYRCUWTG-OPRDCNLKSA-N 1 3 243.376 0.030 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366844083 353983793 /nfs/dbraw/zinc/98/37/93/353983793.db2.gz MRWCWPGFTVPIMW-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343644097 353952070 /nfs/dbraw/zinc/95/20/70/353952070.db2.gz QJFZSACOUCTGJX-VQXHTEKXSA-N 1 3 227.352 0.605 20 0 BCADHO CO[C@@H](C)C[N@H+](C)CCCN(C)CCN(C)C ZINC000344024447 354085816 /nfs/dbraw/zinc/08/58/16/354085816.db2.gz IKYPSYFGQFTQKY-ZDUSSCGKSA-N 1 3 245.411 0.837 20 0 BCADHO CO[C@@H](C)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000344024447 354085819 /nfs/dbraw/zinc/08/58/19/354085819.db2.gz IKYPSYFGQFTQKY-ZDUSSCGKSA-N 1 3 245.411 0.837 20 0 BCADHO C[C@@H]1C[C@H](C(=O)NCCN(C)C)CC[N@@H+]1C ZINC000344182374 354176342 /nfs/dbraw/zinc/17/63/42/354176342.db2.gz HKZXGRTXHIPVSQ-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1C[C@H](C(=O)NCCN(C)C)CC[N@H+]1C ZINC000344182374 354176345 /nfs/dbraw/zinc/17/63/45/354176345.db2.gz HKZXGRTXHIPVSQ-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CCC[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098301 358484643 /nfs/dbraw/zinc/48/46/43/358484643.db2.gz SLVXPPQGIUUFKG-NSHDSACASA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449734028 202010653 /nfs/dbraw/zinc/01/06/53/202010653.db2.gz LLDDLWVRYJKTPK-JBLDHEPKSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@H]1CCCN1C ZINC000627135348 363353821 /nfs/dbraw/zinc/35/38/21/363353821.db2.gz QZCIMYFBJQDNMF-NXEZZACHSA-N 1 3 228.340 0.069 20 0 BCADHO CN(C(=O)C1([NH3+])CC1)[C@@H]1CCN(C2CC2)C1 ZINC000334660378 354459215 /nfs/dbraw/zinc/45/92/15/354459215.db2.gz FLALZGRVSSMTLN-SNVBAGLBSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335093872 354631618 /nfs/dbraw/zinc/63/16/18/354631618.db2.gz KCBKJHTVQZJSOA-GFCCVEGCSA-N 1 3 239.363 0.845 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCNCC1 ZINC000627158739 363398357 /nfs/dbraw/zinc/39/83/57/363398357.db2.gz COTSXQJOAPNMGM-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO Cc1ccc(CCCNC[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000345999676 354836364 /nfs/dbraw/zinc/83/63/64/354836364.db2.gz WQNUBHKZXZWDRG-KGLIPLIRSA-N 1 3 249.358 0.493 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000336101547 491068104 /nfs/dbraw/zinc/06/81/04/491068104.db2.gz ZRHGUPUKLMOHKQ-TXEJJXNPSA-N 1 3 239.363 0.347 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000336101547 491068107 /nfs/dbraw/zinc/06/81/07/491068107.db2.gz ZRHGUPUKLMOHKQ-TXEJJXNPSA-N 1 3 239.363 0.347 20 0 BCADHO CCN(C)CCNC(=O)C(C)(C)C[NH3+] ZINC000054128926 491069145 /nfs/dbraw/zinc/06/91/45/491069145.db2.gz PRWBUCIFROSIJK-UHFFFAOYSA-N 1 3 201.314 0.039 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000366942949 354908547 /nfs/dbraw/zinc/90/85/47/354908547.db2.gz JATZXUCZEAFUHR-GUBZILKMSA-N 1 3 231.315 0.272 20 0 BCADHO NC1(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000335185759 355084038 /nfs/dbraw/zinc/08/40/38/355084038.db2.gz WWCJHQJUYUSSDV-NSHDSACASA-N 1 3 237.347 0.326 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)C12CCCN1CCC2 ZINC000335222147 355062733 /nfs/dbraw/zinc/06/27/33/355062733.db2.gz XIHUBDQWSZJICS-LLVKDONJSA-N 1 3 237.347 0.483 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCNC(C)(C)C1)[C@@H](C)[NH3+] ZINC000335231289 355091792 /nfs/dbraw/zinc/09/17/92/355091792.db2.gz JBPAPPIPYILXPV-GHMZBOCLSA-N 1 3 241.379 0.816 20 0 BCADHO COC(=O)[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000346830203 355128725 /nfs/dbraw/zinc/12/87/25/355128725.db2.gz KEFQTFQGADACJW-GHMZBOCLSA-N 1 3 226.320 0.481 20 0 BCADHO COCCOC[C@@H]1CC[N@H+](CC(C)(C)N)C1 ZINC000346970820 355207526 /nfs/dbraw/zinc/20/75/26/355207526.db2.gz GGGUXUVCPDONRD-LLVKDONJSA-N 1 3 230.352 0.709 20 0 BCADHO COCCOC[C@@H]1CC[N@@H+](CC(C)(C)N)C1 ZINC000346970820 355207528 /nfs/dbraw/zinc/20/75/28/355207528.db2.gz GGGUXUVCPDONRD-LLVKDONJSA-N 1 3 230.352 0.709 20 0 BCADHO NC(=O)C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000347002293 355199604 /nfs/dbraw/zinc/19/96/04/355199604.db2.gz ITEJVSYYUJIXGT-NEPJUHHUSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000347002293 355199606 /nfs/dbraw/zinc/19/96/06/355199606.db2.gz ITEJVSYYUJIXGT-NEPJUHHUSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000347002293 355199608 /nfs/dbraw/zinc/19/96/08/355199608.db2.gz ITEJVSYYUJIXGT-NEPJUHHUSA-N 1 3 239.363 0.573 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113516310 355233698 /nfs/dbraw/zinc/23/36/98/355233698.db2.gz WBPRUNYRVJXDHQ-LLVKDONJSA-N 1 3 228.336 0.823 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113516310 355233699 /nfs/dbraw/zinc/23/36/99/355233699.db2.gz WBPRUNYRVJXDHQ-LLVKDONJSA-N 1 3 228.336 0.823 20 0 BCADHO CCN1CC[C@H](NC(=O)NCC[N@H+](C)CC)C1 ZINC000413180651 191361107 /nfs/dbraw/zinc/36/11/07/191361107.db2.gz DNFKJHUEDUPDMU-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CCN1CC[C@H](NC(=O)NCC[N@@H+](C)CC)C1 ZINC000413180651 191361110 /nfs/dbraw/zinc/36/11/10/191361110.db2.gz DNFKJHUEDUPDMU-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](C)N1CCCCCC1 ZINC000347630139 355241144 /nfs/dbraw/zinc/24/11/44/355241144.db2.gz OVEPDLRWEJJSSW-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO COCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000113512946 355249112 /nfs/dbraw/zinc/24/91/12/355249112.db2.gz SSUWUFVAHQXIMD-NSHDSACASA-N 1 3 200.326 0.906 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(N)CCCC1 ZINC000335290621 355264400 /nfs/dbraw/zinc/26/44/00/355264400.db2.gz KUWNCVJGSOHZTO-NXEZZACHSA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)N(C)C ZINC000413344913 191373480 /nfs/dbraw/zinc/37/34/80/191373480.db2.gz XEKOHBNCLKVFOR-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO CNCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000166352638 355387305 /nfs/dbraw/zinc/38/73/05/355387305.db2.gz BGRRBABUWNUUHP-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000166352638 355387309 /nfs/dbraw/zinc/38/73/09/355387309.db2.gz BGRRBABUWNUUHP-LLVKDONJSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)N)C1 ZINC000166352866 355387574 /nfs/dbraw/zinc/38/75/74/355387574.db2.gz HYAFWPUHZFKSDY-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)N)C1 ZINC000166352866 355387577 /nfs/dbraw/zinc/38/75/77/355387577.db2.gz HYAFWPUHZFKSDY-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCOCCO)[C@H](C)C1 ZINC000166457992 355502010 /nfs/dbraw/zinc/50/20/10/355502010.db2.gz ZWTYIDXJACTUMZ-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CC[N@H+]1CC[C@H](NCCOCCO)[C@H](C)C1 ZINC000166457992 355502012 /nfs/dbraw/zinc/50/20/12/355502012.db2.gz ZWTYIDXJACTUMZ-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335829772 355555305 /nfs/dbraw/zinc/55/53/05/355555305.db2.gz YBYMKCJSSUEWAP-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCNCC1 ZINC000336005284 134049140 /nfs/dbraw/zinc/04/91/40/134049140.db2.gz NFTGNPLVSHYGKK-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000399089189 355836936 /nfs/dbraw/zinc/83/69/36/355836936.db2.gz SNUUCNKEJQXFNK-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@H]1CCC[NH2+]C1 ZINC000583630697 355940719 /nfs/dbraw/zinc/94/07/19/355940719.db2.gz PBDARNWFSPXIAJ-UWVGGRQHSA-N 1 3 233.306 0.525 20 0 BCADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCCNCC2)C1 ZINC000167400249 355987853 /nfs/dbraw/zinc/98/78/53/355987853.db2.gz XYNALZIXCXKFBT-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN(CCN3CCCC3=O)C[C@H]12 ZINC000351488174 355999218 /nfs/dbraw/zinc/99/92/18/355999218.db2.gz DXWIAYJGXAXAPJ-GRYCIOLGSA-N 1 3 237.347 0.278 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN(CCN3CCCC3=O)C[C@@H]12 ZINC000351488175 355999269 /nfs/dbraw/zinc/99/92/69/355999269.db2.gz DXWIAYJGXAXAPJ-IJLUTSLNSA-N 1 3 237.347 0.278 20 0 BCADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1 ZINC000617551741 356107847 /nfs/dbraw/zinc/10/78/47/356107847.db2.gz YHDRZQGIYSGOQP-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1 ZINC000617551741 356107853 /nfs/dbraw/zinc/10/78/53/356107853.db2.gz YHDRZQGIYSGOQP-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000418246348 192004664 /nfs/dbraw/zinc/00/46/64/192004664.db2.gz CGEDSOGUOFVBMT-GARJFASQSA-N 1 3 242.367 0.234 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000418246354 192004727 /nfs/dbraw/zinc/00/47/27/192004727.db2.gz CGEDSOGUOFVBMT-VWYCJHECSA-N 1 3 242.367 0.234 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)[NH+](C)C ZINC000418248984 192006376 /nfs/dbraw/zinc/00/63/76/192006376.db2.gz FWDXHKAQXBUNSA-VWYCJHECSA-N 1 3 242.367 0.328 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCN1C ZINC000351904557 356176404 /nfs/dbraw/zinc/17/64/04/356176404.db2.gz CPDKQNDCYHINHO-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)NCCC[NH3+] ZINC000418308252 192021119 /nfs/dbraw/zinc/02/11/19/192021119.db2.gz FXVUBQPIXKLSOY-UHFFFAOYSA-N 1 3 244.383 0.564 20 0 BCADHO C[NH2+]CCCNC(=O)N(C)CCN1CCCC1 ZINC000418310848 192021836 /nfs/dbraw/zinc/02/18/36/192021836.db2.gz PUBWYXRGDLMZNU-UHFFFAOYSA-N 1 3 242.367 0.333 20 0 BCADHO CN(C)CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000418310660 192022043 /nfs/dbraw/zinc/02/20/43/192022043.db2.gz DQNCZMSERMJZLZ-UHFFFAOYSA-N 1 3 242.367 0.509 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420303130 192206883 /nfs/dbraw/zinc/20/68/83/192206883.db2.gz HCVVTUOMCYUUJS-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO C[NH2+]CCC1CCN(CC(=O)N(C)C)CC1 ZINC000069730569 491089557 /nfs/dbraw/zinc/08/95/57/491089557.db2.gz WZHFGGCLLFFMAA-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO COC(=O)CC1(CN2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000420300966 192206710 /nfs/dbraw/zinc/20/67/10/192206710.db2.gz DLTWVAOJCKYCRS-MNOVXSKESA-N 1 3 240.347 0.999 20 0 BCADHO COC(=O)CC1(CN2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000420300962 192207227 /nfs/dbraw/zinc/20/72/27/192207227.db2.gz DLTWVAOJCKYCRS-GHMZBOCLSA-N 1 3 240.347 0.999 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420303127 192207282 /nfs/dbraw/zinc/20/72/82/192207282.db2.gz HCVVTUOMCYUUJS-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CCN(CCC(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000420302822 192207918 /nfs/dbraw/zinc/20/79/18/192207918.db2.gz CBVSEJQHCOKSQB-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[N@H+](CCC(=O)N(C)C)[C@H]1CCCNCC1 ZINC000420302822 192207920 /nfs/dbraw/zinc/20/79/20/192207920.db2.gz CBVSEJQHCOKSQB-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CC[N@@H+](CCC(=O)N(C)C)[C@H]1CCCNCC1 ZINC000420302822 192207923 /nfs/dbraw/zinc/20/79/23/192207923.db2.gz CBVSEJQHCOKSQB-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCOC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420316552 192212169 /nfs/dbraw/zinc/21/21/69/192212169.db2.gz YIYXZQIANOSCJS-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO C[C@@H]1CN(CC[N@H+](C)[C@H](CN)C2CC2)CCO1 ZINC000420323016 192227761 /nfs/dbraw/zinc/22/77/61/192227761.db2.gz XNNDPLUCLDFREE-DGCLKSJQSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@@H]1CN(CC[N@@H+](C)[C@H](CN)C2CC2)CCO1 ZINC000420323016 192227764 /nfs/dbraw/zinc/22/77/64/192227764.db2.gz XNNDPLUCLDFREE-DGCLKSJQSA-N 1 3 241.379 0.376 20 0 BCADHO CCOC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000420324327 192230585 /nfs/dbraw/zinc/23/05/85/192230585.db2.gz VJEHQQVNVDZHNP-ZJUUUORDSA-N 1 3 214.309 0.609 20 0 BCADHO COC(=O)[C@H]1CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000420357032 192220374 /nfs/dbraw/zinc/22/03/74/192220374.db2.gz HJYSHGKAHPDBIQ-WDEREUQCSA-N 1 3 226.320 0.623 20 0 BCADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](C)N ZINC000420363673 192224118 /nfs/dbraw/zinc/22/41/18/192224118.db2.gz PTPUQRDOOWBGRS-BDAKNGLRSA-N 1 3 200.282 0.361 20 0 BCADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](C)N ZINC000420363673 192224121 /nfs/dbraw/zinc/22/41/21/192224121.db2.gz PTPUQRDOOWBGRS-BDAKNGLRSA-N 1 3 200.282 0.361 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412420 356482983 /nfs/dbraw/zinc/48/29/83/356482983.db2.gz VDKMULDBZGUXMP-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578130486 366291956 /nfs/dbraw/zinc/29/19/56/366291956.db2.gz MVFTVTHGMVRHNQ-OUAUKWLOSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213350 134135436 /nfs/dbraw/zinc/13/54/36/134135436.db2.gz NRHZXORENDBSKJ-GXSJLCMTSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@H]1CN(C(=O)C2([NH3+])CCC2)C[C@H](C)N1 ZINC000336214411 134136127 /nfs/dbraw/zinc/13/61/27/134136127.db2.gz NUVPZMLHWLSMDV-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO C[NH+](C)C[C@]1(O)CCCN(CCCCCO)C1 ZINC000639761010 356675847 /nfs/dbraw/zinc/67/58/47/356675847.db2.gz DSTMTJDAVXOORA-CYBMUJFWSA-N 1 3 244.379 0.538 20 0 BCADHO C[C@H](O)CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764019 356689996 /nfs/dbraw/zinc/68/99/96/356689996.db2.gz SEDUNWUFCVMQAY-NWDGAFQWSA-N 1 3 230.352 0.146 20 0 BCADHO C[NH+](C)C[C@@]1(O)CCCN(CC2(C)COC2)C1 ZINC000639762089 356681436 /nfs/dbraw/zinc/68/14/36/356681436.db2.gz KEJTXWZTQWFTBK-ZDUSSCGKSA-N 1 3 242.363 0.411 20 0 BCADHO CCCN(CCN(C)C)C(=O)CC1([NH3+])CC1 ZINC000398073376 538642259 /nfs/dbraw/zinc/64/22/59/538642259.db2.gz HPXSZZKHUFMGPP-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CCN1C[C@H](C)N(CCOCC[NH3+])C[C@@H]1C ZINC000578193720 366379389 /nfs/dbraw/zinc/37/93/89/366379389.db2.gz KRWWQJQZISOVAA-RYUDHWBXSA-N 1 3 229.368 0.376 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)CC[NH2+]C ZINC000357240640 356820325 /nfs/dbraw/zinc/82/03/25/356820325.db2.gz MIJSVULKRYNKQJ-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000041680067 358512866 /nfs/dbraw/zinc/51/28/66/358512866.db2.gz PJNBBBYNBFLDHM-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1CC[NH2+]CC1 ZINC000582300341 357036449 /nfs/dbraw/zinc/03/64/49/357036449.db2.gz XTSSCCDSSCIFJY-VIFPVBQESA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000582302354 357039887 /nfs/dbraw/zinc/03/98/87/357039887.db2.gz QQYRSARCSQJMGI-KXUCPTDWSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000390542744 357103444 /nfs/dbraw/zinc/10/34/44/357103444.db2.gz LYLHBVVHOGXLDZ-ZJUUUORDSA-N 1 3 213.325 0.230 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000390663054 357109755 /nfs/dbraw/zinc/10/97/55/357109755.db2.gz SUPCISPMHFGFRW-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000389381271 538814543 /nfs/dbraw/zinc/81/45/43/538814543.db2.gz MXLRDVYYPUVTHL-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000582724674 357372197 /nfs/dbraw/zinc/37/21/97/357372197.db2.gz CGHSZIONICYXPM-VWYCJHECSA-N 1 3 227.352 0.413 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H](CO)C(C)(C)C ZINC000393983661 357313070 /nfs/dbraw/zinc/31/30/70/357313070.db2.gz VFMIMIPPFWPKEC-MNOVXSKESA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H](CO)C(C)(C)C ZINC000393983661 357313071 /nfs/dbraw/zinc/31/30/71/357313071.db2.gz VFMIMIPPFWPKEC-MNOVXSKESA-N 1 3 232.368 0.296 20 0 BCADHO CN(C)C[C@@H](O)C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623408515 357405674 /nfs/dbraw/zinc/40/56/74/357405674.db2.gz YVTXJHWIHXAAGY-NEPJUHHUSA-N 1 3 243.395 0.371 20 0 BCADHO CCCN(C(=O)CNC(C)C)[C@H]1CC[NH2+]C1 ZINC000582856400 357421407 /nfs/dbraw/zinc/42/14/07/357421407.db2.gz KIHAJUNPAXXCSV-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CN[C@@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000582915544 357435585 /nfs/dbraw/zinc/43/55/85/357435585.db2.gz PTQNAKNPCXKWFG-VIFPVBQESA-N 1 3 221.304 0.369 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000583153586 357496378 /nfs/dbraw/zinc/49/63/78/357496378.db2.gz PGSXNESMXILQBY-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000583033380 357464325 /nfs/dbraw/zinc/46/43/25/357464325.db2.gz CEMSVAZXBQSMKJ-GWCFXTLKSA-N 1 3 247.342 0.598 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)C1(N)CCC1 ZINC000230710947 357572784 /nfs/dbraw/zinc/57/27/84/357572784.db2.gz XKTDYNWRYDAFAO-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO O=C(NCc1ccc2c(c1)CNC2)[C@H]1CCC[NH2+]1 ZINC000188723546 357565926 /nfs/dbraw/zinc/56/59/26/357565926.db2.gz QUGWIYDIFSPSPI-CYBMUJFWSA-N 1 3 245.326 0.658 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000231676237 357620045 /nfs/dbraw/zinc/62/00/45/357620045.db2.gz BRIPWSTZDHTMBB-RYUDHWBXSA-N 1 3 230.352 0.722 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CSC[C@@H]1C ZINC000397956236 357812488 /nfs/dbraw/zinc/81/24/88/357812488.db2.gz FGQFRJRXORRKJE-HBNTYKKESA-N 1 3 232.393 0.640 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CSC[C@@H]1C ZINC000397956236 357812490 /nfs/dbraw/zinc/81/24/90/357812490.db2.gz FGQFRJRXORRKJE-HBNTYKKESA-N 1 3 232.393 0.640 20 0 BCADHO CSC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000235234165 357858488 /nfs/dbraw/zinc/85/84/88/357858488.db2.gz KRQZFDYSJSNIPH-LLVKDONJSA-N 1 3 244.404 0.928 20 0 BCADHO C[C@@H]1C[C@H](C(=O)NCCN(C)C2CC2)CC[NH2+]1 ZINC000235359668 357866808 /nfs/dbraw/zinc/86/68/08/357866808.db2.gz IXQMZZOYVCLSAY-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO O=C1CC[C@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC000168572281 134226920 /nfs/dbraw/zinc/22/69/20/134226920.db2.gz QHMAEPNGKSNXPF-LBPRGKRZSA-N 1 3 237.347 0.293 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CC[N@@H+]1C ZINC000399068252 357895041 /nfs/dbraw/zinc/89/50/41/357895041.db2.gz MZBKUDXFLSFRLO-YUSALJHKSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CC[N@H+]1C ZINC000399068252 357895045 /nfs/dbraw/zinc/89/50/45/357895045.db2.gz MZBKUDXFLSFRLO-YUSALJHKSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH2+]CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000584528827 358042141 /nfs/dbraw/zinc/04/21/41/358042141.db2.gz ZCECNETURUNOIL-UHFFFAOYSA-N 1 3 233.315 0.629 20 0 BCADHO CC[NH+]1CCC(CCNC(=O)[C@@H](C)N)CC1 ZINC000168711775 134246679 /nfs/dbraw/zinc/24/66/79/134246679.db2.gz SHQHLLSPVJCFGD-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)N ZINC000168927655 134248222 /nfs/dbraw/zinc/24/82/22/134248222.db2.gz IYHHZVCEUGEVAL-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)N ZINC000168927655 134248223 /nfs/dbraw/zinc/24/82/23/134248223.db2.gz IYHHZVCEUGEVAL-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO Cc1cnn(CCN[C@@](C)(C[NH3+])C2CC2)c1 ZINC000584604434 358104648 /nfs/dbraw/zinc/10/46/48/358104648.db2.gz SKSUWGHKKMRNFB-LBPRGKRZSA-N 1 3 222.336 0.909 20 0 BCADHO C[NH2+]CCC(=O)N(CCN(C)C)C1CC1 ZINC000584719627 358161136 /nfs/dbraw/zinc/16/11/36/358161136.db2.gz VNDQZYGHPDJTEE-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000086068377 358209186 /nfs/dbraw/zinc/20/91/86/358209186.db2.gz UVGQOIGIFNNDDD-MNOVXSKESA-N 1 3 227.352 0.300 20 0 BCADHO N[C@@H](CC(=O)NCCCC[NH3+])c1ccccc1 ZINC000040832463 358246828 /nfs/dbraw/zinc/24/68/28/358246828.db2.gz VMYKSEZJSXOACJ-LBPRGKRZSA-N 1 3 235.331 0.932 20 0 BCADHO CNCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232481 491128487 /nfs/dbraw/zinc/12/84/87/491128487.db2.gz CBTHRVVCKBWRNQ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CNCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000653232483 491128510 /nfs/dbraw/zinc/12/85/10/491128510.db2.gz CBTHRVVCKBWRNQ-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO Cn1ccc(CCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000227220669 358352370 /nfs/dbraw/zinc/35/23/70/358352370.db2.gz UIXBZIJRACGORU-CMPLNLGQSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1ccc(CC[NH2+][C@@H]2CCC[C@H](N)C2)n1 ZINC000227220669 358352372 /nfs/dbraw/zinc/35/23/72/358352372.db2.gz UIXBZIJRACGORU-CMPLNLGQSA-N 1 3 222.336 0.822 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000044538971 358390776 /nfs/dbraw/zinc/39/07/76/358390776.db2.gz ORXBUXDQHXYJHM-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538929 358390983 /nfs/dbraw/zinc/39/09/83/358390983.db2.gz YRRBAEBKCVGKKH-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538929 358390988 /nfs/dbraw/zinc/39/09/88/358390988.db2.gz YRRBAEBKCVGKKH-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726850 358392318 /nfs/dbraw/zinc/39/23/18/358392318.db2.gz JDWJJYVBOWIYMG-NSHDSACASA-N 1 3 239.363 0.727 20 0 BCADHO CO[C@H]1CN(CCN2CC[NH2+]CC2)CC[C@H]1C ZINC000299991050 358420877 /nfs/dbraw/zinc/42/08/77/358420877.db2.gz CYVDYUQFNDELQS-OLZOCXBDSA-N 1 3 241.379 0.248 20 0 BCADHO CN(C)CCOCC[NH2+][C@H]1CCCOCC1 ZINC000219314374 134281255 /nfs/dbraw/zinc/28/12/55/134281255.db2.gz AEECGAXMZHSIBZ-LBPRGKRZSA-N 1 3 230.352 0.723 20 0 BCADHO C[C@@H](NCCOCC[NH+](C)C)c1ccnn1C ZINC000219305890 134281586 /nfs/dbraw/zinc/28/15/86/134281586.db2.gz QAOQBGIRWQXIIW-LLVKDONJSA-N 1 3 240.351 0.649 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559605 358694198 /nfs/dbraw/zinc/69/41/98/358694198.db2.gz IBSKSKJEBVLHKB-DCAQKATOSA-N 1 3 229.368 0.816 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559711 358694892 /nfs/dbraw/zinc/69/48/92/358694892.db2.gz OHVBWAQFVGFWDU-ZJUUUORDSA-N 1 3 247.408 0.523 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559710 358694993 /nfs/dbraw/zinc/69/49/93/358694993.db2.gz OHVBWAQFVGFWDU-UWVGGRQHSA-N 1 3 247.408 0.523 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559631 358695186 /nfs/dbraw/zinc/69/51/86/358695186.db2.gz XKPCFEPKSPLAQH-JQWIXIFHSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)N1 ZINC000131855007 358697411 /nfs/dbraw/zinc/69/74/11/358697411.db2.gz DKSUIFOQNQQCGZ-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000133784121 358767434 /nfs/dbraw/zinc/76/74/34/358767434.db2.gz JWYREZNXSUNHOW-MNOVXSKESA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132930631 358740368 /nfs/dbraw/zinc/74/03/68/358740368.db2.gz BFDMCUGFKJVUTR-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132930631 358740371 /nfs/dbraw/zinc/74/03/71/358740371.db2.gz BFDMCUGFKJVUTR-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO [NH3+][C@@H](CNC(=O)c1ccc2c(c1)CNC2)C1CC1 ZINC000578236516 366464985 /nfs/dbraw/zinc/46/49/85/366464985.db2.gz XVXFCVVRPAZBDO-ZDUSSCGKSA-N 1 3 245.326 0.757 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000578320888 366505208 /nfs/dbraw/zinc/50/52/08/366505208.db2.gz JBMLYKNNMDNHBZ-TUAOUCFPSA-N 1 3 241.379 0.770 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645159 358936299 /nfs/dbraw/zinc/93/62/99/358936299.db2.gz KZVFOMIEACJHID-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000578337744 366528185 /nfs/dbraw/zinc/52/81/85/366528185.db2.gz PSTNUMVVLQSKEA-JHJVBQTASA-N 1 3 241.379 0.567 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000132798912 491138951 /nfs/dbraw/zinc/13/89/51/491138951.db2.gz WBESDVOXNTWAJQ-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CNCCC1(F)F ZINC000423471385 192784959 /nfs/dbraw/zinc/78/49/59/192784959.db2.gz FDHWDAYJUPNAIK-KXUCPTDWSA-N 1 3 233.306 0.571 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000423483937 192790391 /nfs/dbraw/zinc/79/03/91/192790391.db2.gz QKBRMYKUCWYJJP-IVZWLZJFSA-N 1 3 233.306 0.701 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1C ZINC000379605833 359565708 /nfs/dbraw/zinc/56/57/08/359565708.db2.gz QAHAFEBFGZSFAP-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1C ZINC000379605833 359565711 /nfs/dbraw/zinc/56/57/11/359565711.db2.gz QAHAFEBFGZSFAP-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC[NH3+] ZINC000424013442 192853971 /nfs/dbraw/zinc/85/39/71/192853971.db2.gz WKJLVVLUUJACFJ-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO O=C(CNC1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000578489194 366579270 /nfs/dbraw/zinc/57/92/70/366579270.db2.gz LRSJKKPZDBTBNJ-NSHDSACASA-N 1 3 223.320 0.091 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)CC[NH2+]1 ZINC000578534955 366593829 /nfs/dbraw/zinc/59/38/29/366593829.db2.gz YGLIDZXBQLIJKX-OUAUKWLOSA-N 1 3 225.336 0.385 20 0 BCADHO C[NH2+]CCCN(C)CCCn1ccnc1 ZINC000087472569 366600532 /nfs/dbraw/zinc/60/05/32/366600532.db2.gz DOLAUWOSXROMMX-UHFFFAOYSA-N 1 3 210.325 0.815 20 0 BCADHO CCCC[NH+]1CCC(NC(=O)C2(N)CC2)CC1 ZINC000088129792 359937473 /nfs/dbraw/zinc/93/74/73/359937473.db2.gz GYMYEARRSFBKRC-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)C[NH2+]C3CC3)[C@H]2C1 ZINC000578766059 366643241 /nfs/dbraw/zinc/64/32/41/366643241.db2.gz BVGJGFRNMMTYGO-JQWIXIFHSA-N 1 3 237.347 0.291 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)C[NH2+]C3CC3)[C@@H]2C1 ZINC000578766061 366643315 /nfs/dbraw/zinc/64/33/15/366643315.db2.gz BVGJGFRNMMTYGO-ZYHUDNBSSA-N 1 3 237.347 0.291 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000089147816 359994054 /nfs/dbraw/zinc/99/40/54/359994054.db2.gz VOUBHNFOBQZXSQ-CHWSQXEVSA-N 1 3 241.379 0.426 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000089147817 359994131 /nfs/dbraw/zinc/99/41/31/359994131.db2.gz VOUBHNFOBQZXSQ-QWHCGFSZSA-N 1 3 241.379 0.426 20 0 BCADHO CN1CCC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)C1 ZINC000612872858 360149072 /nfs/dbraw/zinc/14/90/72/360149072.db2.gz WOLRWFKMHJOFGE-JQWIXIFHSA-N 1 3 240.351 0.132 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000092136970 360153964 /nfs/dbraw/zinc/15/39/64/360153964.db2.gz YRCCNJCLAISKJL-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000154394250 360796427 /nfs/dbraw/zinc/79/64/27/360796427.db2.gz GAGUSUDQONWLQI-NXEZZACHSA-N 1 3 213.325 0.454 20 0 BCADHO COC(=O)CCCCN1CC[C@H](C[NH3+])C1 ZINC000238327136 360875279 /nfs/dbraw/zinc/87/52/79/360875279.db2.gz LOHFCTXXZSHACD-SNVBAGLBSA-N 1 3 214.309 0.610 20 0 BCADHO COC(=O)CCCC[N@@H+]1CC[C@H](CN)C1 ZINC000238327136 360875285 /nfs/dbraw/zinc/87/52/85/360875285.db2.gz LOHFCTXXZSHACD-SNVBAGLBSA-N 1 3 214.309 0.610 20 0 BCADHO COC(=O)CCCC[N@H+]1CC[C@H](CN)C1 ZINC000238327136 360875289 /nfs/dbraw/zinc/87/52/89/360875289.db2.gz LOHFCTXXZSHACD-SNVBAGLBSA-N 1 3 214.309 0.610 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418006200 200825222 /nfs/dbraw/zinc/82/52/22/200825222.db2.gz PXYYWBVIHAAXGS-GMTAPVOTSA-N 1 3 242.367 0.458 20 0 BCADHO [NH3+]CCCOCCNCc1ccncc1 ZINC000629397905 361047745 /nfs/dbraw/zinc/04/77/45/361047745.db2.gz GJPSSKCTFZWSOS-UHFFFAOYSA-N 1 3 209.293 0.537 20 0 BCADHO C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000629408894 361057653 /nfs/dbraw/zinc/05/76/53/361057653.db2.gz AXYINMFMNVBZLU-AXFHLTTASA-N 1 3 209.337 0.563 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000629408943 361058594 /nfs/dbraw/zinc/05/85/94/361058594.db2.gz DABCFPYVAVJJSH-UMNHJUIQSA-N 1 3 209.337 0.421 20 0 BCADHO CO[C@H](C)[C@H](C)NCC1([NH3+])CCOCC1 ZINC000629521074 361118157 /nfs/dbraw/zinc/11/81/57/361118157.db2.gz KZLILTQILAWTFV-VHSXEESVSA-N 1 3 216.325 0.507 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000424182697 200879381 /nfs/dbraw/zinc/87/93/81/200879381.db2.gz ZVHCXVZFVXWLEN-GRYCIOLGSA-N 1 3 237.347 0.182 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCOC1CCOCC1 ZINC000629516543 361115469 /nfs/dbraw/zinc/11/54/69/361115469.db2.gz JUOJRSAUIYVFKN-NWDGAFQWSA-N 1 3 242.363 0.851 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1cccnc1 ZINC000629529970 361147601 /nfs/dbraw/zinc/14/76/01/361147601.db2.gz RSNOJTBEGLEHFW-LLVKDONJSA-N 1 3 223.320 0.968 20 0 BCADHO O=c1ccc(CNCCC[NH+]2CCC2)c[nH]1 ZINC000631105313 361151696 /nfs/dbraw/zinc/15/16/96/361151696.db2.gz SKWRSIWYRGPZMS-UHFFFAOYSA-N 1 3 221.304 0.973 20 0 BCADHO NC1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCCC1 ZINC000375940828 181324588 /nfs/dbraw/zinc/32/45/88/181324588.db2.gz IGHIOLGIAYTSJV-GHMZBOCLSA-N 1 3 237.347 0.468 20 0 BCADHO NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000629523356 361124468 /nfs/dbraw/zinc/12/44/68/361124468.db2.gz DUEFXVLWASTMMU-DOLQZWNJSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000629523356 361124469 /nfs/dbraw/zinc/12/44/69/361124469.db2.gz DUEFXVLWASTMMU-DOLQZWNJSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000629524677 361125731 /nfs/dbraw/zinc/12/57/31/361125731.db2.gz SXRQZRJIHGQBST-PTPVROBZSA-N 1 3 223.320 0.123 20 0 BCADHO C[C@@H](O)CCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000158589355 361205203 /nfs/dbraw/zinc/20/52/03/361205203.db2.gz NFEATJYFRUDVGC-GHMZBOCLSA-N 1 3 200.326 0.689 20 0 BCADHO NC1(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)CCCCC1 ZINC000368384281 181324974 /nfs/dbraw/zinc/32/49/74/181324974.db2.gz IKVQZXHIXVRJMC-WDEREUQCSA-N 1 3 237.347 0.468 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158637382 361206488 /nfs/dbraw/zinc/20/64/88/361206488.db2.gz RNIOBQQSIHGYID-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158637382 361206492 /nfs/dbraw/zinc/20/64/92/361206492.db2.gz RNIOBQQSIHGYID-TUAOUCFPSA-N 1 3 212.337 0.974 20 0 BCADHO CNC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000579007942 366694044 /nfs/dbraw/zinc/69/40/44/366694044.db2.gz HZELQYGZBOCTOA-SNVBAGLBSA-N 1 3 235.331 0.760 20 0 BCADHO CCCN(C(=O)[C@@H](N)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000579109112 366712527 /nfs/dbraw/zinc/71/25/27/366712527.db2.gz OAASYQSSHQMBAN-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N(CC)CC ZINC000428378306 201012274 /nfs/dbraw/zinc/01/22/74/201012274.db2.gz UMVOBXWRSIQFIK-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](N)C1CCC1 ZINC000579228975 366739873 /nfs/dbraw/zinc/73/98/73/366739873.db2.gz UBZFMZNGVFACLK-FXPVBKGRSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000067573567 370685338 /nfs/dbraw/zinc/68/53/38/370685338.db2.gz RBURLDRLOKYMDG-UHFFFAOYSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H](NCC[C@H](C)[NH3+])C(C)(C)n1cncn1 ZINC000622044328 370676028 /nfs/dbraw/zinc/67/60/28/370676028.db2.gz AUYHQDVPRKRVSN-VHSXEESVSA-N 1 3 225.340 0.729 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C[NH3+] ZINC000428915351 201050352 /nfs/dbraw/zinc/05/03/52/201050352.db2.gz JAKCLDPSKYAFQL-AOOOYVTPSA-N 1 3 227.352 0.713 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000429132793 201070043 /nfs/dbraw/zinc/07/00/43/201070043.db2.gz FMIUTMAJBGWRJN-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428983120 201054965 /nfs/dbraw/zinc/05/49/65/201054965.db2.gz UYIOECQVOJPVTM-TUAOUCFPSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428983118 201055478 /nfs/dbraw/zinc/05/54/78/201055478.db2.gz UYIOECQVOJPVTM-SRVKXCTJSA-N 1 3 241.379 0.864 20 0 BCADHO CC[C@H](C(=O)NCC[C@H](C)[NH3+])N(CC)CC ZINC000429035055 201061454 /nfs/dbraw/zinc/06/14/54/201061454.db2.gz LKLCPBWYWQTAHB-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H]([NH3+])CCNC(=O)C1CCN(C)CC1 ZINC000429043749 201063211 /nfs/dbraw/zinc/06/32/11/201063211.db2.gz BKWQETNBPAGKFM-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000429085518 201065667 /nfs/dbraw/zinc/06/56/67/201065667.db2.gz ZNONNEOFXVWFCN-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](C(=O)NCC[NH2+]C)N(CC)CC ZINC000429086676 201066052 /nfs/dbraw/zinc/06/60/52/201066052.db2.gz HODFHCWIDNKMGE-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(CC)CC ZINC000429082175 201066974 /nfs/dbraw/zinc/06/69/74/201066974.db2.gz RHJBSFSLCIBXBM-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429167780 201077027 /nfs/dbraw/zinc/07/70/27/201077027.db2.gz YQRPDQRAKPQQSN-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000429176656 201077478 /nfs/dbraw/zinc/07/74/78/201077478.db2.gz YPLNIDAUQULIJF-SDDRHHMPSA-N 1 3 241.379 0.768 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000429393400 201106898 /nfs/dbraw/zinc/10/68/98/201106898.db2.gz KFESKPJJYQUWNH-UMNHJUIQSA-N 1 3 227.352 0.713 20 0 BCADHO NC(=O)CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000579292777 366755140 /nfs/dbraw/zinc/75/51/40/366755140.db2.gz ZBPIPQMBSWUCMU-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO COC[C@H](O)CNCC(C)(C)C[NH+]1CCCC1 ZINC000579345058 366764238 /nfs/dbraw/zinc/76/42/38/366764238.db2.gz UXGVJSWWTNNXSY-GFCCVEGCSA-N 1 3 244.379 0.705 20 0 BCADHO COC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000579345058 366764242 /nfs/dbraw/zinc/76/42/42/366764242.db2.gz UXGVJSWWTNNXSY-GFCCVEGCSA-N 1 3 244.379 0.705 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000429289534 201094079 /nfs/dbraw/zinc/09/40/79/201094079.db2.gz BZEWFNDIAVBHGW-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000429289533 201094880 /nfs/dbraw/zinc/09/48/80/201094880.db2.gz BZEWFNDIAVBHGW-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](NCCOCCC[NH3+])c1cnn(C)c1 ZINC000629538026 361402339 /nfs/dbraw/zinc/40/23/39/361402339.db2.gz LPAQDPNROBXANJ-SNVBAGLBSA-N 1 3 226.324 0.436 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000429313931 201099931 /nfs/dbraw/zinc/09/99/31/201099931.db2.gz GYEMARYCCQKBSY-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629535408 361410292 /nfs/dbraw/zinc/41/02/92/361410292.db2.gz CENWEXBLFQADPQ-VOAKCMCISA-N 1 3 241.379 0.484 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629535408 361410293 /nfs/dbraw/zinc/41/02/93/361410293.db2.gz CENWEXBLFQADPQ-VOAKCMCISA-N 1 3 241.379 0.484 20 0 BCADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629543425 361411012 /nfs/dbraw/zinc/41/10/12/361411012.db2.gz BECVGFBLDWRCDW-JHJVBQTASA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@@H]1CCCCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000629543425 361411018 /nfs/dbraw/zinc/41/10/18/361411018.db2.gz BECVGFBLDWRCDW-JHJVBQTASA-N 1 3 241.379 0.303 20 0 BCADHO CC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)N(CC)CC ZINC000429557923 201115921 /nfs/dbraw/zinc/11/59/21/201115921.db2.gz DDPUOSSTCVVWFV-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000429657903 201123118 /nfs/dbraw/zinc/12/31/18/201123118.db2.gz NCHPYLDGSDTYQC-TUAOUCFPSA-N 1 3 239.363 0.809 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429650927 201123379 /nfs/dbraw/zinc/12/33/79/201123379.db2.gz QVCVOVFLWWTBPF-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000429657901 201123470 /nfs/dbraw/zinc/12/34/70/201123470.db2.gz NCHPYLDGSDTYQC-IJLUTSLNSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000579475457 366823888 /nfs/dbraw/zinc/82/38/88/366823888.db2.gz VTYPWSVMABGRHO-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000579475457 366823895 /nfs/dbraw/zinc/82/38/95/366823895.db2.gz VTYPWSVMABGRHO-HBNTYKKESA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC[NH2+]1 ZINC000579475693 366823913 /nfs/dbraw/zinc/82/39/13/366823913.db2.gz GKPLALQYHAEVBD-IVZWLZJFSA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000579475455 366823951 /nfs/dbraw/zinc/82/39/51/366823951.db2.gz VTYPWSVMABGRHO-AXFHLTTASA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000579475455 366823955 /nfs/dbraw/zinc/82/39/55/366823955.db2.gz VTYPWSVMABGRHO-AXFHLTTASA-N 1 3 227.352 0.522 20 0 BCADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555707 361449010 /nfs/dbraw/zinc/44/90/10/361449010.db2.gz BECVGFBLDWRCDW-AVGNSLFASA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@H]1CCCCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000629555707 361449015 /nfs/dbraw/zinc/44/90/15/361449015.db2.gz BECVGFBLDWRCDW-AVGNSLFASA-N 1 3 241.379 0.303 20 0 BCADHO C[C@H](CCCCO)[NH2+][C@@H]1CCN[C@H]1C ZINC000629546617 361429442 /nfs/dbraw/zinc/42/94/42/361429442.db2.gz UTIDLRAJOOXTLG-OUAUKWLOSA-N 1 3 200.326 0.878 20 0 BCADHO CN(CCN[C@H]1CCC[C@H]1C[NH3+])CC(F)F ZINC000629555963 361449291 /nfs/dbraw/zinc/44/92/91/361449291.db2.gz KCTPEOWOXPGCMQ-UWVGGRQHSA-N 1 3 235.322 0.900 20 0 BCADHO CN(CC[NH2+][C@H]1CCC[C@H]1CN)CC(F)F ZINC000629555963 361449293 /nfs/dbraw/zinc/44/92/93/361449293.db2.gz KCTPEOWOXPGCMQ-UWVGGRQHSA-N 1 3 235.322 0.900 20 0 BCADHO C[C@H]1CN(C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542118 361418055 /nfs/dbraw/zinc/41/80/55/361418055.db2.gz YPCNFOHLKGZUPQ-WHOHXGKFSA-N 1 3 211.353 0.667 20 0 BCADHO Cn1nncc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430947019 201158809 /nfs/dbraw/zinc/15/88/09/201158809.db2.gz CKTIRATXFKRXTP-UHFFFAOYSA-N 1 3 235.335 0.391 20 0 BCADHO O[C@H](C[NH2+]C1CC(F)(F)C1)CN1CCCC1 ZINC000629576675 361468068 /nfs/dbraw/zinc/46/80/68/361468068.db2.gz VLSATMVWLHPVNC-SNVBAGLBSA-N 1 3 234.290 0.830 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@H](C[NH3+])C1 ZINC000430940647 201159389 /nfs/dbraw/zinc/15/93/89/201159389.db2.gz QELDXBAKVMEJLI-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000433179518 201162659 /nfs/dbraw/zinc/16/26/59/201162659.db2.gz YJUYTPCDQPHQHX-GMTAPVOTSA-N 1 3 227.352 0.426 20 0 BCADHO COC[C@@]1(C)CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000629594339 361486111 /nfs/dbraw/zinc/48/61/11/361486111.db2.gz ADOOGCKAZZZEPR-QWHCGFSZSA-N 1 3 242.363 0.723 20 0 BCADHO NCc1cccc2c1N(CC[NH3+])CCC2 ZINC000629559624 361455451 /nfs/dbraw/zinc/45/54/51/361455451.db2.gz GLPFSVOKULVJEN-UHFFFAOYSA-N 1 3 205.305 0.857 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000629612821 361498774 /nfs/dbraw/zinc/49/87/74/361498774.db2.gz IJWMXDOBISQJJF-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000629612587 361499258 /nfs/dbraw/zinc/49/92/58/361499258.db2.gz DQNYEWCWYQKUHL-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C(=O)N1CCC[NH2+]CC1)N(C)C ZINC000629611211 361501737 /nfs/dbraw/zinc/50/17/37/361501737.db2.gz QGJQLHJEHVGLDB-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH2+]C)N(C)C ZINC000629611298 361501873 /nfs/dbraw/zinc/50/18/73/361501873.db2.gz QYUNTZORPWVVBG-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N(C)C ZINC000629612230 361502313 /nfs/dbraw/zinc/50/23/13/361502313.db2.gz YLXUINAYXMTUNS-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)N(C)C ZINC000629615587 361505167 /nfs/dbraw/zinc/50/51/67/361505167.db2.gz VVFHDGKHGNMOMG-CMPLNLGQSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)N(C)C ZINC000629615917 361505317 /nfs/dbraw/zinc/50/53/17/361505317.db2.gz ZDJPPVDTHSWEMY-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)NCCC1CC[NH2+]CC1)N(C)C ZINC000629616130 361506824 /nfs/dbraw/zinc/50/68/24/361506824.db2.gz XRUWRDONTYWSIH-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)C ZINC000629613346 361507712 /nfs/dbraw/zinc/50/77/12/361507712.db2.gz OIPXQZXGRDXYKL-CMPLNLGQSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)C ZINC000629613355 361508069 /nfs/dbraw/zinc/50/80/69/361508069.db2.gz OIPXQZXGRDXYKL-ZYHUDNBSSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)C ZINC000629614420 361509300 /nfs/dbraw/zinc/50/93/00/361509300.db2.gz JJRKGZHMQZBJDG-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000629614429 361509933 /nfs/dbraw/zinc/50/99/33/361509933.db2.gz JPNGBVUOYNPKPM-OUAUKWLOSA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000629614424 361509945 /nfs/dbraw/zinc/50/99/45/361509945.db2.gz JMISDJLXXVEVLL-SDDRHHMPSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000629612264 361497627 /nfs/dbraw/zinc/49/76/27/361497627.db2.gz ZWBZDJPTFNZDSF-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)N(C)C ZINC000629612369 361497736 /nfs/dbraw/zinc/49/77/36/361497736.db2.gz AZUPNRYEAFHJGL-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C(N[C@@H]1CC[NH2+]C1)c1nc2c(s1)CNCC2 ZINC000629673868 361596741 /nfs/dbraw/zinc/59/67/41/361596741.db2.gz LORTURLFNDXIJD-MRVPVSSYSA-N 1 3 238.360 0.240 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]1CSCCN1 ZINC000434858635 201243461 /nfs/dbraw/zinc/24/34/61/201243461.db2.gz APQUTIPHXURVGP-NXEZZACHSA-N 1 3 245.392 0.181 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000434703492 201235978 /nfs/dbraw/zinc/23/59/78/201235978.db2.gz UISCCZSTPGPNRC-SDDRHHMPSA-N 1 3 241.379 0.829 20 0 BCADHO CC(C)N(C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241240 201256934 /nfs/dbraw/zinc/25/69/34/201256934.db2.gz SRMQPKNMVFHMRC-LBPRGKRZSA-N 1 3 239.363 0.680 20 0 BCADHO CCCN(C)CC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236783 201258218 /nfs/dbraw/zinc/25/82/18/201258218.db2.gz KRAQMWARQOSHDK-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+]CCCN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000435883635 201296942 /nfs/dbraw/zinc/29/69/42/201296942.db2.gz LWXFQZQBSXSLMD-LLVKDONJSA-N 1 3 237.351 0.902 20 0 BCADHO CC[C@H]1CN(CCC[NH2+]C)CCN1CCOC ZINC000435872543 201292837 /nfs/dbraw/zinc/29/28/37/201292837.db2.gz PIJHNPLQJANHSF-ZDUSSCGKSA-N 1 3 243.395 0.639 20 0 BCADHO NCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000037826916 181348577 /nfs/dbraw/zinc/34/85/77/181348577.db2.gz VLUQCGOEDPWUFC-UHFFFAOYSA-N 1 3 225.336 0.422 20 0 BCADHO [NH3+]C1(CC(=O)N[C@@H]2CCN(C3CC3)C2)CCC1 ZINC000094295251 487527762 /nfs/dbraw/zinc/52/77/62/487527762.db2.gz ZOMMHFKUKUVEOP-SNVBAGLBSA-N 1 3 237.347 0.611 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)C1 ZINC000653111937 541310218 /nfs/dbraw/zinc/31/02/18/541310218.db2.gz HBLHHICKVRLEQO-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](C(=O)NCCN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249512390 325652832 /nfs/dbraw/zinc/65/28/32/325652832.db2.gz OFJWXRJFGFFQKU-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)(N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604520 364328771 /nfs/dbraw/zinc/32/87/71/364328771.db2.gz SSFYSJATLBPVQF-MRVPVSSYSA-N 1 3 209.297 0.224 20 0 BCADHO CN(C)CCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607936 364332743 /nfs/dbraw/zinc/33/27/43/364332743.db2.gz RHFKJMHEHVLHFJ-UHFFFAOYSA-N 1 3 245.330 0.830 20 0 BCADHO COC[C@H](C)CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000398972658 364400849 /nfs/dbraw/zinc/40/08/49/364400849.db2.gz XELDRAKQWDYBJB-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO COC[C@H](C)CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC000398972660 364401135 /nfs/dbraw/zinc/40/11/35/364401135.db2.gz XELDRAKQWDYBJB-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H]1CC[C@H]([NH2+]C2CCN(C)CC2)CN1 ZINC000398975522 364401924 /nfs/dbraw/zinc/40/19/24/364401924.db2.gz YRAYLTOECQEJFM-JQWIXIFHSA-N 1 3 211.353 0.811 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)C)CC[N@@H+]1C ZINC000630714837 364489661 /nfs/dbraw/zinc/48/96/61/364489661.db2.gz AZVDJUYMUDXORG-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)C)CC[N@H+]1C ZINC000630714837 364489667 /nfs/dbraw/zinc/48/96/67/364489667.db2.gz AZVDJUYMUDXORG-GRYCIOLGSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN1C ZINC000615309115 364683762 /nfs/dbraw/zinc/68/37/62/364683762.db2.gz QJQISWSHBAUOTO-UTUOFQBUSA-N 1 3 239.363 0.632 20 0 BCADHO CC1(C)OCC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000336898972 364852310 /nfs/dbraw/zinc/85/23/10/364852310.db2.gz QUPPAYBYRLBBGB-NEPJUHHUSA-N 1 3 242.363 0.600 20 0 BCADHO COC[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000573479225 364842784 /nfs/dbraw/zinc/84/27/84/364842784.db2.gz UTCFRUGCHXGKIO-GRYCIOLGSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000573479225 364842790 /nfs/dbraw/zinc/84/27/90/364842790.db2.gz UTCFRUGCHXGKIO-GRYCIOLGSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000573699574 364897993 /nfs/dbraw/zinc/89/79/93/364897993.db2.gz SRVRUPUOVWGWEN-MNOVXSKESA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573815123 364924133 /nfs/dbraw/zinc/92/41/33/364924133.db2.gz LWMKHWKBFUZWGT-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H]([NH3+])c1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000573913109 364942649 /nfs/dbraw/zinc/94/26/49/364942649.db2.gz SYUCBNJQLUJIJR-SECBINFHSA-N 1 3 233.315 0.814 20 0 BCADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000574038399 364972413 /nfs/dbraw/zinc/97/24/13/364972413.db2.gz COGYRUHUXBZZOV-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000574281925 365028001 /nfs/dbraw/zinc/02/80/01/365028001.db2.gz YZYWPXZIPVMLGK-WISYIIOYSA-N 1 3 239.363 0.665 20 0 BCADHO CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)CNC ZINC000574525571 365083953 /nfs/dbraw/zinc/08/39/53/365083953.db2.gz RCYTYVYCHYABBG-DCAQKATOSA-N 1 3 202.342 0.981 20 0 BCADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@](C)(O)CNC ZINC000574525574 365084071 /nfs/dbraw/zinc/08/40/71/365084071.db2.gz RCYTYVYCHYABBG-HBNTYKKESA-N 1 3 202.342 0.981 20 0 BCADHO CC[NH2+]CCCNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000574548911 365087463 /nfs/dbraw/zinc/08/74/63/365087463.db2.gz UIBQRNYMKHPAGW-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000574548558 365087967 /nfs/dbraw/zinc/08/79/67/365087967.db2.gz IRGFKGPGWIYIHH-GHMZBOCLSA-N 1 3 227.352 0.490 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574573361 365093742 /nfs/dbraw/zinc/09/37/42/365093742.db2.gz KGXSSKVVWLCBJY-BDAKNGLRSA-N 1 3 247.289 0.322 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000574689500 365121486 /nfs/dbraw/zinc/12/14/86/365121486.db2.gz JVKNFRXJFDQDJP-WOPDTQHZSA-N 1 3 237.347 0.149 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(CCN(C)C)C1CC1 ZINC000574873980 365163847 /nfs/dbraw/zinc/16/38/47/365163847.db2.gz BUIKGGKPGJSCAN-VIFPVBQESA-N 1 3 213.325 0.134 20 0 BCADHO CNC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000574881308 365166857 /nfs/dbraw/zinc/16/68/57/365166857.db2.gz DQIJTAOZVXCGKF-WOPDTQHZSA-N 1 3 230.352 0.362 20 0 BCADHO C[NH2+]C[C@](C)(O)CN[C@H](C)[C@H]1CCCOC1 ZINC000574881308 365166865 /nfs/dbraw/zinc/16/68/65/365166865.db2.gz DQIJTAOZVXCGKF-WOPDTQHZSA-N 1 3 230.352 0.362 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000575173561 365226505 /nfs/dbraw/zinc/22/65/05/365226505.db2.gz BOPZJXMEFIINHB-KXNHARMFSA-N 1 3 237.347 0.324 20 0 BCADHO C[C@H](N)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000575122410 365211350 /nfs/dbraw/zinc/21/13/50/365211350.db2.gz NVYWKIUNVYECIU-QMMMGPOBSA-N 1 3 235.287 0.454 20 0 BCADHO C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000575122410 365211353 /nfs/dbraw/zinc/21/13/53/365211353.db2.gz NVYWKIUNVYECIU-QMMMGPOBSA-N 1 3 235.287 0.454 20 0 BCADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CC[NH2+]2)c1 ZINC000444178038 193040037 /nfs/dbraw/zinc/04/00/37/193040037.db2.gz VEKMWPFFGMYMLL-CYBMUJFWSA-N 1 3 247.342 0.726 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444167461 193040366 /nfs/dbraw/zinc/04/03/66/193040366.db2.gz LPHDRAPAWSMLGR-AAEUAGOBSA-N 1 3 237.347 0.198 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]2)CN1C1CC1 ZINC000444272487 193043947 /nfs/dbraw/zinc/04/39/47/193043947.db2.gz XKAHCUHZQKEFRT-WCABBAIRSA-N 1 3 223.320 0.090 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](N)Cc1ccccc1 ZINC000575311080 365285434 /nfs/dbraw/zinc/28/54/34/365285434.db2.gz VCVMEQXYFJDNQP-MWLCHTKSSA-N 1 3 221.304 0.020 20 0 BCADHO C[NH+](C)CC1CCC(NC(=O)C(C)(C)N)CC1 ZINC000575399161 365308039 /nfs/dbraw/zinc/30/80/39/365308039.db2.gz RQQIYBZMXHZBHH-UHFFFAOYSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CN1CCOCC1)N1CCC[C@H](C[NH3+])C1 ZINC000575923540 365414965 /nfs/dbraw/zinc/41/49/65/365414965.db2.gz VLZIKTJCOHZRKN-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000575916361 365411830 /nfs/dbraw/zinc/41/18/30/365411830.db2.gz DVJQYVFIIZLJGA-QJPTWQEYSA-N 1 3 241.379 0.641 20 0 BCADHO CN(CC[NH3+])C(=O)C[C@H](N)c1ccccc1 ZINC000576106928 365488254 /nfs/dbraw/zinc/48/82/54/365488254.db2.gz WLOOEWHWTZNGCM-NSHDSACASA-N 1 3 221.304 0.494 20 0 BCADHO CC[C@]1(NC[C@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085027 541513639 /nfs/dbraw/zinc/51/36/39/541513639.db2.gz JWMVNTCQNAQVIO-STQMWFEESA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@]1(NC[C@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085027 541513644 /nfs/dbraw/zinc/51/36/44/541513644.db2.gz JWMVNTCQNAQVIO-STQMWFEESA-N 1 3 242.363 0.600 20 0 BCADHO CCN(C)CCNC(=O)CCCC[NH+](C)C ZINC000579769005 367003462 /nfs/dbraw/zinc/00/34/62/367003462.db2.gz GHDYLFBEQPXJBI-UHFFFAOYSA-N 1 3 229.368 0.786 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000579838408 367040638 /nfs/dbraw/zinc/04/06/38/367040638.db2.gz UWDMWCXBSKPXEB-GARJFASQSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579838026 367041254 /nfs/dbraw/zinc/04/12/54/367041254.db2.gz DQAQLGPGDLKJOA-NSHDSACASA-N 1 3 239.363 0.573 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000579853767 367052815 /nfs/dbraw/zinc/05/28/15/367052815.db2.gz AKSXQTHWIKMLKA-RYUDHWBXSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000580893051 367200161 /nfs/dbraw/zinc/20/01/61/367200161.db2.gz VYGXNBMHMFADFS-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000580893062 367200318 /nfs/dbraw/zinc/20/03/18/367200318.db2.gz VYGXNBMHMFADFS-ZJUUUORDSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000580941855 367211519 /nfs/dbraw/zinc/21/15/19/367211519.db2.gz DNHRBKRKFALMLI-QJPTWQEYSA-N 1 3 239.363 0.633 20 0 BCADHO O=C(C[NH2+]CC1CC1)NCCNc1ccncc1 ZINC000581307906 367336946 /nfs/dbraw/zinc/33/69/46/367336946.db2.gz KMTUJVWCJZBTOS-UHFFFAOYSA-N 1 3 248.330 0.031 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CNC1CC1 ZINC000581180492 367285618 /nfs/dbraw/zinc/28/56/18/367285618.db2.gz PAJIJDMLELTJIJ-MWLCHTKSSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1ccncc1 ZINC000581187554 367286579 /nfs/dbraw/zinc/28/65/79/367286579.db2.gz CHHCULGWQUUZHK-ZYHUDNBSSA-N 1 3 248.330 0.030 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000581262226 367313817 /nfs/dbraw/zinc/31/38/17/367313817.db2.gz WDCGWCMLUMVSSC-WCABBAIRSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000581370648 367401713 /nfs/dbraw/zinc/40/17/13/367401713.db2.gz PJLNSZYCCNKHDL-KPXOXKRLSA-N 1 3 249.314 0.368 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000382547447 367535819 /nfs/dbraw/zinc/53/58/19/367535819.db2.gz GHFLPXKSNIVANU-SDDRHHMPSA-N 1 3 230.352 0.491 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382914292 367566984 /nfs/dbraw/zinc/56/69/84/367566984.db2.gz APGANTJQVCSDPA-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382914292 367566990 /nfs/dbraw/zinc/56/69/90/367566990.db2.gz APGANTJQVCSDPA-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH+]1CCC(N[C@@H]2CC[C@H]2O)CC1 ZINC000382307734 367505282 /nfs/dbraw/zinc/50/52/82/367505282.db2.gz PGNVQSVJAXOBMA-VXGBXAGGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H]([NH3+])c1ccc(NC(=O)COC2CNC2)cc1 ZINC000581487732 367519065 /nfs/dbraw/zinc/51/90/65/367519065.db2.gz GDLULVYUAPIZCP-VIFPVBQESA-N 1 3 249.314 0.633 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N(C)C1CCN(C)CC1 ZINC000382943040 367572023 /nfs/dbraw/zinc/57/20/23/367572023.db2.gz JKOHKXCJKGRRIG-SNVBAGLBSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000581549336 367577982 /nfs/dbraw/zinc/57/79/82/367577982.db2.gz LISWLRGDOLUPJL-NTSWFWBYSA-N 1 3 227.230 0.120 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1CC[NH+](C)CC1 ZINC000382990984 367582853 /nfs/dbraw/zinc/58/28/53/367582853.db2.gz YHCOVDYZAXFNLH-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)NC1CC1 ZINC000382963403 367573464 /nfs/dbraw/zinc/57/34/64/367573464.db2.gz PIBOIJFUOWLPOI-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)NC2CC2)C1 ZINC000382965271 367575792 /nfs/dbraw/zinc/57/57/92/367575792.db2.gz PUVXNAKOQUIRLR-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)NC2CC2)C1 ZINC000382965271 367575798 /nfs/dbraw/zinc/57/57/98/367575798.db2.gz PUVXNAKOQUIRLR-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)[C@H](C)NC1CC1)[N@H+](C)C1CC1 ZINC000383302656 367612328 /nfs/dbraw/zinc/61/23/28/367612328.db2.gz HSQSWZAJXNQQNB-UWVGGRQHSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@@H](CNC(=O)[C@H](C)NC1CC1)[N@@H+](C)C1CC1 ZINC000383302656 367612332 /nfs/dbraw/zinc/61/23/32/367612332.db2.gz HSQSWZAJXNQQNB-UWVGGRQHSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)NC1CC1)[N@H+](C)C1CC1 ZINC000383302658 367612720 /nfs/dbraw/zinc/61/27/20/367612720.db2.gz HSQSWZAJXNQQNB-ZJUUUORDSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)NC1CC1)[N@@H+](C)C1CC1 ZINC000383302658 367612722 /nfs/dbraw/zinc/61/27/22/367612722.db2.gz HSQSWZAJXNQQNB-ZJUUUORDSA-N 1 3 239.363 0.726 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000383380113 367618657 /nfs/dbraw/zinc/61/86/57/367618657.db2.gz PQCFPKAZFCCEAV-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000383380113 367618662 /nfs/dbraw/zinc/61/86/62/367618662.db2.gz PQCFPKAZFCCEAV-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CCOC(C)(C)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000383794723 367654574 /nfs/dbraw/zinc/65/45/74/367654574.db2.gz RUGYSGSZCNZTCV-GFCCVEGCSA-N 1 3 244.379 0.846 20 0 BCADHO CCOC(C)(C)CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000383794723 367654578 /nfs/dbraw/zinc/65/45/78/367654578.db2.gz RUGYSGSZCNZTCV-GFCCVEGCSA-N 1 3 244.379 0.846 20 0 BCADHO CCOC(=O)N1CCC(NCC(C)(C)[NH3+])CC1 ZINC000383997414 367667732 /nfs/dbraw/zinc/66/77/32/367667732.db2.gz NYZIDCYKVRWTCE-UHFFFAOYSA-N 1 3 243.351 0.934 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000566201705 326011624 /nfs/dbraw/zinc/01/16/24/326011624.db2.gz YAWBHQBZIZJHFC-VHSXEESVSA-N 1 3 225.336 0.454 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386556140 367990845 /nfs/dbraw/zinc/99/08/45/367990845.db2.gz HYZRRFUERMGSIK-OPRDCNLKSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H](C(=O)NCC[NH3+])[C@H](N)c1ccccc1 ZINC000087645620 367951753 /nfs/dbraw/zinc/95/17/53/367951753.db2.gz VPYUKDVKTRFKIU-KOLCDFICSA-N 1 3 221.304 0.397 20 0 BCADHO C[C@H]([NH2+]CCOCCO)[C@@H]1CCCCN1 ZINC000386607195 368000262 /nfs/dbraw/zinc/00/02/62/368000262.db2.gz VXWPGOXPQAUQLZ-QWRGUYRKSA-N 1 3 216.325 0.116 20 0 BCADHO C[C@@H]([NH2+]CCOCCO)[C@H]1CCCCN1 ZINC000386607191 368000399 /nfs/dbraw/zinc/00/03/99/368000399.db2.gz VXWPGOXPQAUQLZ-GHMZBOCLSA-N 1 3 216.325 0.116 20 0 BCADHO NCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000581944315 367973308 /nfs/dbraw/zinc/97/33/08/367973308.db2.gz GALHNVPFYFSMJS-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO C[C@H](O)[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000386935715 368037123 /nfs/dbraw/zinc/03/71/23/368037123.db2.gz SNIDWNKOEMJOCO-SRVKXCTJSA-N 1 3 230.352 0.192 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000566351317 326036217 /nfs/dbraw/zinc/03/62/17/326036217.db2.gz TUTDEBUBODBALU-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC2(C1)CCOCC2 ZINC000566351317 326036218 /nfs/dbraw/zinc/03/62/18/326036218.db2.gz TUTDEBUBODBALU-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC2(C1)CCOCC2 ZINC000566351317 326036220 /nfs/dbraw/zinc/03/62/20/326036220.db2.gz TUTDEBUBODBALU-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO N[C@H](C(=O)NCC1CC[NH2+]CC1)C1CCC1 ZINC000566914072 326093434 /nfs/dbraw/zinc/09/34/34/326093434.db2.gz WGWWWRYODLHIEV-NSHDSACASA-N 1 3 225.336 0.230 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086402289 368880289 /nfs/dbraw/zinc/88/02/89/368880289.db2.gz JGWFZNCBHXXDBG-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](O)[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000087129031 368888957 /nfs/dbraw/zinc/88/89/57/368888957.db2.gz GFLRQQJNUKWSEM-NNYUYHANSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000087129031 368888962 /nfs/dbraw/zinc/88/89/62/368888962.db2.gz GFLRQQJNUKWSEM-NNYUYHANSA-N 1 3 212.337 0.972 20 0 BCADHO CN(C[C@H]1CCc2ncnn21)[C@@H]1CCC[NH2+]CC1 ZINC000631823456 368982287 /nfs/dbraw/zinc/98/22/87/368982287.db2.gz FDFOJRNHSOAOMH-VXGBXAGGSA-N 1 3 249.362 0.839 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000091392100 369010410 /nfs/dbraw/zinc/01/04/10/369010410.db2.gz NYSVIBSXTYSENB-AAEUAGOBSA-N 1 3 239.363 0.681 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000623661815 369075818 /nfs/dbraw/zinc/07/58/18/369075818.db2.gz DRVICHOOIYLWGY-BJDJZHNGSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000623661815 369075824 /nfs/dbraw/zinc/07/58/24/369075824.db2.gz DRVICHOOIYLWGY-BJDJZHNGSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@@H]1CN(CCCc2cncn2C)C[C@H]1C[NH3+] ZINC000631836999 369091452 /nfs/dbraw/zinc/09/14/52/369091452.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@@H]1C[N@H+](CCCc2cncn2C)C[C@H]1CN ZINC000631836999 369091456 /nfs/dbraw/zinc/09/14/56/369091456.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@@H]1C[N@@H+](CCCc2cncn2C)C[C@H]1CN ZINC000631836999 369091460 /nfs/dbraw/zinc/09/14/60/369091460.db2.gz LINQNLLGQDHIJF-VXGBXAGGSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1C[NH3+] ZINC000631838041 369113248 /nfs/dbraw/zinc/11/32/48/369113248.db2.gz YVHGLLKMGYTBIX-MXWKQRLJSA-N 1 3 235.335 0.292 20 0 BCADHO CC[NH2+]CCCNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000567572698 326220162 /nfs/dbraw/zinc/22/01/62/326220162.db2.gz URTWSLFZBHXYQZ-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO O=C(CNC1CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567672776 326242826 /nfs/dbraw/zinc/24/28/26/326242826.db2.gz JETKGTJMOHZWQK-CYBMUJFWSA-N 1 3 237.347 0.341 20 0 BCADHO C[NH2+]CCCC(=O)N1CCCC[C@H]1CN(C)C ZINC000404906551 369438597 /nfs/dbraw/zinc/43/85/97/369438597.db2.gz YZJUTINNPYXYQY-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCOC(=O)CCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404905645 369439188 /nfs/dbraw/zinc/43/91/88/369439188.db2.gz ROMYLLLROYFRBR-RKDXNWHRSA-N 1 3 214.309 0.655 20 0 BCADHO CCOC(=O)CC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404905645 369439190 /nfs/dbraw/zinc/43/91/90/369439190.db2.gz ROMYLLLROYFRBR-RKDXNWHRSA-N 1 3 214.309 0.655 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813507 326261838 /nfs/dbraw/zinc/26/18/38/326261838.db2.gz FFAHTYCPGVKETN-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1C[C@H](N)C[C@@H]1C ZINC000631862015 369474436 /nfs/dbraw/zinc/47/44/36/369474436.db2.gz KGSUWZQXJCPKAQ-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1C[C@H](N)C[C@@H]1C ZINC000631862015 369474439 /nfs/dbraw/zinc/47/44/39/369474439.db2.gz KGSUWZQXJCPKAQ-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO OCC[NH2+]C1CCN(CC2CC=CC2)CC1 ZINC000631862443 369544803 /nfs/dbraw/zinc/54/48/03/369544803.db2.gz PSHOQKPTTLOTHU-UHFFFAOYSA-N 1 3 224.348 0.999 20 0 BCADHO CN(C(=O)[C@@H](N)CC(F)F)C1(C[NH3+])CCC1 ZINC000567912763 326282287 /nfs/dbraw/zinc/28/22/87/326282287.db2.gz UDHVACJVSZVCDA-ZETCQYMHSA-N 1 3 235.278 0.309 20 0 BCADHO COCCN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000567990367 326292705 /nfs/dbraw/zinc/29/27/05/326292705.db2.gz XJBUKDPPBNFHGY-CYBMUJFWSA-N 1 3 241.379 0.250 20 0 BCADHO Cn1nccc1[C@@H]1CCCN(CCC[NH3+])C1 ZINC000567990592 326292721 /nfs/dbraw/zinc/29/27/21/326292721.db2.gz LQHSCEGQQQPWBA-LLVKDONJSA-N 1 3 222.336 0.948 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(CCO)CC1 ZINC000568057036 326300005 /nfs/dbraw/zinc/30/00/05/326300005.db2.gz MHBGTABKZNFNFO-GFCCVEGCSA-N 1 3 230.352 0.051 20 0 BCADHO CC[C@H](C(=O)N1CC[NH2+][C@@H](C(C)C)C1)N(C)C ZINC000621155840 370128369 /nfs/dbraw/zinc/12/83/69/370128369.db2.gz MZSWCCZLCWUSTN-VXGBXAGGSA-N 1 3 241.379 0.783 20 0 BCADHO COCCOCCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252843654 370135783 /nfs/dbraw/zinc/13/57/83/370135783.db2.gz DFDJBXITIMRTCS-RWMBFGLXSA-N 1 3 242.363 0.709 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000568236241 326331828 /nfs/dbraw/zinc/33/18/28/326331828.db2.gz FPCAOKYYPOEIII-QMMMGPOBSA-N 1 3 201.314 0.038 20 0 BCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1)C2 ZINC000621685346 370435917 /nfs/dbraw/zinc/43/59/17/370435917.db2.gz CUGGFKHRARXNLR-GMXVVIOVSA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684387 370434755 /nfs/dbraw/zinc/43/47/55/370434755.db2.gz LSQZKWTTYFNFBS-FOGDFJRCSA-N 1 3 225.336 0.310 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621684482 370434826 /nfs/dbraw/zinc/43/48/26/370434826.db2.gz NCXARTRULDICJQ-BREBYQMCSA-N 1 3 239.363 0.700 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621690154 370439195 /nfs/dbraw/zinc/43/91/95/370439195.db2.gz QFQRTKJRZCUBLI-DGCLKSJQSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649216 371807927 /nfs/dbraw/zinc/80/79/27/371807927.db2.gz NVMGJNBNUSOCDH-PJXYFTJBSA-N 1 3 239.363 0.345 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C)CC[N@@H+]1C ZINC000631598857 372451606 /nfs/dbraw/zinc/45/16/06/372451606.db2.gz GBTAVVRTWNFXMG-NWDGAFQWSA-N 1 3 241.379 0.737 20 0 BCADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN(C)C)CC[N@H+]1C ZINC000631598857 372451611 /nfs/dbraw/zinc/45/16/11/372451611.db2.gz GBTAVVRTWNFXMG-NWDGAFQWSA-N 1 3 241.379 0.737 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631823508 372602179 /nfs/dbraw/zinc/60/21/79/372602179.db2.gz GIOJSSSNXMXXOV-DCAQKATOSA-N 1 3 235.335 0.435 20 0 BCADHO C[C@@](C[NH3+])(NC[C@@H]1CCc2ncnn21)C1CC1 ZINC000631822552 372599170 /nfs/dbraw/zinc/59/91/70/372599170.db2.gz HVDUFSKPHHOYHW-JQWIXIFHSA-N 1 3 235.335 0.482 20 0 BCADHO C[NH2+]CCCN(C)C[C@@H]1CCO[C@@H]1C ZINC000631828818 372608977 /nfs/dbraw/zinc/60/89/77/372608977.db2.gz ZBQAKURCDQBBTH-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631828818 372608983 /nfs/dbraw/zinc/60/89/83/372608983.db2.gz ZBQAKURCDQBBTH-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@@H+](C)C[C@@H]1CCO[C@@H]1C ZINC000631828818 372608987 /nfs/dbraw/zinc/60/89/87/372608987.db2.gz ZBQAKURCDQBBTH-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]CCCN(C)C[C@H]1CCO[C@@H]1C ZINC000631828817 372609319 /nfs/dbraw/zinc/60/93/19/372609319.db2.gz ZBQAKURCDQBBTH-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631828817 372609325 /nfs/dbraw/zinc/60/93/25/372609325.db2.gz ZBQAKURCDQBBTH-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO CNCCC[N@@H+](C)C[C@H]1CCO[C@@H]1C ZINC000631828817 372609331 /nfs/dbraw/zinc/60/93/31/372609331.db2.gz ZBQAKURCDQBBTH-GHMZBOCLSA-N 1 3 200.326 0.953 20 0 BCADHO COC[C@H](CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)OC ZINC000631890548 372686125 /nfs/dbraw/zinc/68/61/25/372686125.db2.gz QHFOHYLJZYIZOE-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@@H+]1CCC[C@@H]2CNCC[C@@H]21)OC ZINC000631890548 372686130 /nfs/dbraw/zinc/68/61/30/372686130.db2.gz QHFOHYLJZYIZOE-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@H+]1CCC[C@@H]2CNCC[C@@H]21)OC ZINC000631890548 372686137 /nfs/dbraw/zinc/68/61/37/372686137.db2.gz QHFOHYLJZYIZOE-AGIUHOORSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](CN1CCC[C@H]2C[NH2+]CC[C@H]21)OC ZINC000631890552 372686435 /nfs/dbraw/zinc/68/64/35/372686435.db2.gz QHFOHYLJZYIZOE-RWMBFGLXSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@@H+]1CCC[C@H]2CNCC[C@H]21)OC ZINC000631890552 372686443 /nfs/dbraw/zinc/68/64/43/372686443.db2.gz QHFOHYLJZYIZOE-RWMBFGLXSA-N 1 3 242.363 0.722 20 0 BCADHO COC[C@H](C[N@H+]1CCC[C@H]2CNCC[C@H]21)OC ZINC000631890552 372686448 /nfs/dbraw/zinc/68/64/48/372686448.db2.gz QHFOHYLJZYIZOE-RWMBFGLXSA-N 1 3 242.363 0.722 20 0 BCADHO O=C(CNC1CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632877940 373204298 /nfs/dbraw/zinc/20/42/98/373204298.db2.gz OEMRDTVXUKIANY-JQWIXIFHSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCCN1 ZINC000037467340 182167010 /nfs/dbraw/zinc/16/70/10/182167010.db2.gz ZHNAFDHNQQYFCJ-LBPRGKRZSA-N 1 3 239.363 0.731 20 0 BCADHO O=C(NCc1ccc2c(c1)CNC2)[C@@H]1CC[NH2+]C1 ZINC000188753211 182251883 /nfs/dbraw/zinc/25/18/83/182251883.db2.gz CEMIEJASAOERIG-GFCCVEGCSA-N 1 3 245.326 0.516 20 0 BCADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2N)cc1 ZINC000424082190 206029151 /nfs/dbraw/zinc/02/91/51/206029151.db2.gz WECWJDLDRUYNQD-ONOSFVFSSA-N 1 3 219.288 0.992 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCCC[C@H]1C ZINC000424129665 206033172 /nfs/dbraw/zinc/03/31/72/206033172.db2.gz GJVGWLNDALQWTP-KXNHARMFSA-N 1 3 239.363 0.713 20 0 BCADHO O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCN1 ZINC000368705263 182329604 /nfs/dbraw/zinc/32/96/04/182329604.db2.gz ZDDVBLIYVJXAIX-WDEREUQCSA-N 1 3 225.336 0.387 20 0 BCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CC[NH2+]C1 ZINC000371443834 182391932 /nfs/dbraw/zinc/39/19/32/182391932.db2.gz UECFZZROSDMKJY-VIFPVBQESA-N 1 3 246.314 0.275 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000178601098 134311926 /nfs/dbraw/zinc/31/19/26/134311926.db2.gz DXFSPXLMRBIZGY-GXSJLCMTSA-N 1 3 241.379 0.946 20 0 BCADHO COCCN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978325 134314025 /nfs/dbraw/zinc/31/40/25/134314025.db2.gz IHOZWBRNHQUXPV-UHFFFAOYSA-N 1 3 241.379 0.250 20 0 BCADHO CCCC[C@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526686 169005706 /nfs/dbraw/zinc/00/57/06/169005706.db2.gz KXPMXLDSRQXAKS-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000337515957 169006464 /nfs/dbraw/zinc/00/64/64/169006464.db2.gz QBNZROOBCVYUAX-AXFHLTTASA-N 1 3 227.352 0.700 20 0 BCADHO O[C@@H](CN[C@H]1CCCC[C@@H]1O)C[NH+]1CCCC1 ZINC000052014582 183180349 /nfs/dbraw/zinc/18/03/49/183180349.db2.gz NREYEYKDUKTLQO-AVGNSLFASA-N 1 3 242.363 0.336 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360816547 169068277 /nfs/dbraw/zinc/06/82/77/169068277.db2.gz HPMPJRPTZNDHGL-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360816546 169068496 /nfs/dbraw/zinc/06/84/96/169068496.db2.gz HPMPJRPTZNDHGL-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH3+] ZINC000336648617 169071192 /nfs/dbraw/zinc/07/11/92/169071192.db2.gz CSDBLAHNRKRJCY-VIFPVBQESA-N 1 3 201.314 0.039 20 0 BCADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH3+] ZINC000309525239 169071618 /nfs/dbraw/zinc/07/16/18/169071618.db2.gz CJWXJHWILYMLLY-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341310603 169073077 /nfs/dbraw/zinc/07/30/77/169073077.db2.gz ZLFQUZRCIUOQGG-NSHDSACASA-N 1 3 229.368 0.642 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C)[NH+](C)C ZINC000359254188 169073118 /nfs/dbraw/zinc/07/31/18/169073118.db2.gz SPDHKLVJAWEIJR-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357421223 169076774 /nfs/dbraw/zinc/07/67/74/169076774.db2.gz SQFICSWDJABNSK-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357421223 169076776 /nfs/dbraw/zinc/07/67/76/169076776.db2.gz SQFICSWDJABNSK-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN(CCC1CC[NH2+]CC1)CC(=O)NC ZINC000042405120 169153725 /nfs/dbraw/zinc/15/37/25/169153725.db2.gz NVQSUXXNSMCPJR-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO CCC[NH+]1CCC(NC[C@@H](C)O)CC1 ZINC000035112509 169188452 /nfs/dbraw/zinc/18/84/52/169188452.db2.gz UOZZIJIBCDDANE-SNVBAGLBSA-N 1 3 200.326 0.831 20 0 BCADHO CCCN1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000367650972 169192314 /nfs/dbraw/zinc/19/23/14/169192314.db2.gz MHEILCNJWZICJA-NSHDSACASA-N 1 3 227.352 0.526 20 0 BCADHO CCCN1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000373799138 169192860 /nfs/dbraw/zinc/19/28/60/169192860.db2.gz HGEUDIAFGWLZTP-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346134898 169194230 /nfs/dbraw/zinc/19/42/30/169194230.db2.gz KKPAKTYDPUGOCM-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346134900 169196059 /nfs/dbraw/zinc/19/60/59/169196059.db2.gz KKPAKTYDPUGOCM-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)CC(=O)NC ZINC000353986955 169197114 /nfs/dbraw/zinc/19/71/14/169197114.db2.gz LSMVZXBLDDNLSV-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)CC(=O)NC ZINC000353986955 169197116 /nfs/dbraw/zinc/19/71/16/169197116.db2.gz LSMVZXBLDDNLSV-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(N)=O)C1 ZINC000336751242 169208431 /nfs/dbraw/zinc/20/84/31/169208431.db2.gz CESKDRMLDRUDRE-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(N)=O)C1 ZINC000336751242 169208433 /nfs/dbraw/zinc/20/84/33/169208433.db2.gz CESKDRMLDRUDRE-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000336751242 169208435 /nfs/dbraw/zinc/20/84/35/169208435.db2.gz CESKDRMLDRUDRE-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC(=O)NC)C1 ZINC000353651018 169209048 /nfs/dbraw/zinc/20/90/48/169209048.db2.gz YEBJHPPRVQWTDQ-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC(=O)NC)C1 ZINC000353651018 169209049 /nfs/dbraw/zinc/20/90/49/169209049.db2.gz YEBJHPPRVQWTDQ-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN1CC[C@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000353651018 169209050 /nfs/dbraw/zinc/20/90/50/169209050.db2.gz YEBJHPPRVQWTDQ-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112801254 169210922 /nfs/dbraw/zinc/21/09/22/169210922.db2.gz IANYMEOCBPTUNO-GHMZBOCLSA-N 1 3 240.351 0.374 20 0 BCADHO CCCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000069626478 169220312 /nfs/dbraw/zinc/22/03/12/169220312.db2.gz WGGDVFWYOHILFK-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO CCC[NH2+]CCNC(=O)C1CCN(C)CC1 ZINC000236901487 169258070 /nfs/dbraw/zinc/25/80/70/169258070.db2.gz HYSJVAORWFABRG-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CCC[NH2+]CCNC(=O)CN(C)CCC ZINC000338231221 169258429 /nfs/dbraw/zinc/25/84/29/169258429.db2.gz WNKRHZZRXLWFGW-UHFFFAOYSA-N 1 3 215.341 0.444 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000236800252 169259686 /nfs/dbraw/zinc/25/96/86/169259686.db2.gz SPFQGVSVPKRFQM-VHSXEESVSA-N 1 3 215.341 0.476 20 0 BCADHO CCC[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679612 169389031 /nfs/dbraw/zinc/38/90/31/169389031.db2.gz LPNYPHSUEITYNT-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309014959 169389216 /nfs/dbraw/zinc/38/92/16/169389216.db2.gz UAEYGDSEPLLSJH-BDAKNGLRSA-N 1 3 201.314 0.213 20 0 BCADHO CCC[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089327 169389299 /nfs/dbraw/zinc/38/92/99/169389299.db2.gz VYYOGWPNJYLODT-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000226086343 134358584 /nfs/dbraw/zinc/35/85/84/134358584.db2.gz YRGDUHRTSZKUQO-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831103 134369817 /nfs/dbraw/zinc/36/98/17/134369817.db2.gz PJQSMFZWGLWATL-JHJVBQTASA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831103 134369818 /nfs/dbraw/zinc/36/98/18/134369818.db2.gz PJQSMFZWGLWATL-JHJVBQTASA-N 1 3 224.348 0.974 20 0 BCADHO CO[C@H](CN)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000227374709 134379302 /nfs/dbraw/zinc/37/93/02/134379302.db2.gz RJISTIIZCYCJKA-WDEREUQCSA-N 1 3 245.367 0.053 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368100422 383847029 /nfs/dbraw/zinc/84/70/29/383847029.db2.gz QCPYEPYYOKJHGC-LOWVWBTDSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCCN(C)CC1 ZINC000069838987 383847216 /nfs/dbraw/zinc/84/72/16/383847216.db2.gz HVYSIIUPNVSRLO-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CCN(C)CCNC(=O)CC[C@@H](C)[NH3+] ZINC000069840199 383849432 /nfs/dbraw/zinc/84/94/32/383849432.db2.gz BVGYKMXXKPSMJW-SECBINFHSA-N 1 3 201.314 0.182 20 0 BCADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(N)CC1 ZINC000237077936 383864724 /nfs/dbraw/zinc/86/47/24/383864724.db2.gz ZMGBVNUTIVDJEY-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(N)CC1 ZINC000237077936 383864728 /nfs/dbraw/zinc/86/47/28/383864728.db2.gz ZMGBVNUTIVDJEY-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CN(C)CCN(C(=O)CC[NH3+])C1CCCC1 ZINC000037825035 383866039 /nfs/dbraw/zinc/86/60/39/383866039.db2.gz VTJTUFVSRYZVCD-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)CC(F)F ZINC000309396360 383870745 /nfs/dbraw/zinc/87/07/45/383870745.db2.gz GQRMUYWCFPCWBD-SSDOTTSWSA-N 1 3 223.267 0.085 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)C(C)(C)N)C1CC1 ZINC000237131458 383923417 /nfs/dbraw/zinc/92/34/17/383923417.db2.gz JHSUZKBKDZPBEY-VIFPVBQESA-N 1 3 213.325 0.180 20 0 BCADHO COC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)OC ZINC000227712264 134384558 /nfs/dbraw/zinc/38/45/58/134384558.db2.gz QVNOYBUESTUPKG-SRVKXCTJSA-N 1 3 230.352 0.720 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000569360866 383896445 /nfs/dbraw/zinc/89/64/45/383896445.db2.gz XRZCEWBLWGNIED-SNVBAGLBSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000186830257 384026301 /nfs/dbraw/zinc/02/63/01/384026301.db2.gz RUCUIRFNAMFXMQ-GHMZBOCLSA-N 1 3 227.352 0.441 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1NCC1(C)C ZINC000648132140 384112499 /nfs/dbraw/zinc/11/24/99/384112499.db2.gz OJISOYHUBBMVEG-LPEHRKFASA-N 1 3 243.326 0.143 20 0 BCADHO C[C@H](CNC(=O)CN)[N@H+](C)Cc1ccccc1 ZINC000237402574 384173790 /nfs/dbraw/zinc/17/37/90/384173790.db2.gz KFLZNSYHAZXXHT-LLVKDONJSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@H](CNC(=O)CN)[N@@H+](C)Cc1ccccc1 ZINC000237402574 384173793 /nfs/dbraw/zinc/17/37/93/384173793.db2.gz KFLZNSYHAZXXHT-LLVKDONJSA-N 1 3 235.331 0.582 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178405364 384167161 /nfs/dbraw/zinc/16/71/61/384167161.db2.gz PZSOWNOOFPTANV-QWHCGFSZSA-N 1 3 247.342 0.364 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CC2)CC[N@@H+]1C ZINC000132917931 384214624 /nfs/dbraw/zinc/21/46/24/384214624.db2.gz TYCFHPUPRDKBDP-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2(N)CC2)CC[N@H+]1C ZINC000132917931 384214628 /nfs/dbraw/zinc/21/46/28/384214628.db2.gz TYCFHPUPRDKBDP-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000644164987 384244370 /nfs/dbraw/zinc/24/43/70/384244370.db2.gz VOUBMRFLQHOTRI-QMMMGPOBSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC[C@H](CC[NH3+])C1 ZINC000069626357 384247032 /nfs/dbraw/zinc/24/70/32/384247032.db2.gz YDPMESOZXZCGDM-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO N[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1CCC1 ZINC000569574691 384270510 /nfs/dbraw/zinc/27/05/10/384270510.db2.gz OJYBESFQKGRJRJ-SFYZADRCSA-N 1 3 235.278 0.213 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H](N)C1CCC1 ZINC000516925444 384308564 /nfs/dbraw/zinc/30/85/64/384308564.db2.gz REFMGVISOZUSAL-FBIMIBRVSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H](N)C1CCC1 ZINC000516925443 384308860 /nfs/dbraw/zinc/30/88/60/384308860.db2.gz REFMGVISOZUSAL-DVVUODLYSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773197 384295875 /nfs/dbraw/zinc/29/58/75/384295875.db2.gz NAVSNAVGFMAKOW-NOOOWODRSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370773197 384295877 /nfs/dbraw/zinc/29/58/77/384295877.db2.gz NAVSNAVGFMAKOW-NOOOWODRSA-N 1 3 237.347 0.276 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000095088030 384361148 /nfs/dbraw/zinc/36/11/48/384361148.db2.gz FVRWHERUUPESLT-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)CCOCCO)[C@H](C)C1 ZINC000174778965 384363179 /nfs/dbraw/zinc/36/31/79/384363179.db2.gz HVIRELVYBCESBY-CHWSQXEVSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)CCOCCO)[C@H](C)C1 ZINC000174778965 384363183 /nfs/dbraw/zinc/36/31/83/384363183.db2.gz HVIRELVYBCESBY-CHWSQXEVSA-N 1 3 244.379 0.657 20 0 BCADHO CC[NH2+]CC1CCN(CCOCCOC)CC1 ZINC000078763512 384367629 /nfs/dbraw/zinc/36/76/29/384367629.db2.gz MPDOMDUBDWPVCO-UHFFFAOYSA-N 1 3 244.379 0.971 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000335600045 384370289 /nfs/dbraw/zinc/37/02/89/384370289.db2.gz FLBRPQSEKICQQT-NEPJUHHUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807231 384402366 /nfs/dbraw/zinc/40/23/66/384402366.db2.gz YECDCBKACJOBHJ-MRVPVSSYSA-N 1 3 201.314 0.180 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000262676992 384403387 /nfs/dbraw/zinc/40/33/87/384403387.db2.gz SUIYMEZWKVNYPX-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000335630645 384410175 /nfs/dbraw/zinc/41/01/75/384410175.db2.gz UONVXDSVRFHDBE-SNVBAGLBSA-N 1 3 205.261 0.446 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCCCC1 ZINC000069839972 384386501 /nfs/dbraw/zinc/38/65/01/384386501.db2.gz NKHLMGYXQNVPCO-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CNCCC1(F)F ZINC000648145775 384451394 /nfs/dbraw/zinc/45/13/94/384451394.db2.gz FSJZUPLTVASCPC-SFYZADRCSA-N 1 3 235.278 0.085 20 0 BCADHO CN(C)C1CC[NH+](CCCCO)CC1 ZINC000036192889 384431215 /nfs/dbraw/zinc/43/12/15/384431215.db2.gz YIAUYGYNJDIHIN-UHFFFAOYSA-N 1 3 200.326 0.785 20 0 BCADHO C(C1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000085540490 384534256 /nfs/dbraw/zinc/53/42/56/384534256.db2.gz TXRIKDYBCNJQBU-TXEJJXNPSA-N 1 3 210.321 0.849 20 0 BCADHO CN(C)CCN(Cc1ccccc1)C(=O)CC[NH3+] ZINC000037801506 384534908 /nfs/dbraw/zinc/53/49/08/384534908.db2.gz HPAXNHGPTJYRGP-UHFFFAOYSA-N 1 3 249.358 0.926 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000569607382 384531407 /nfs/dbraw/zinc/53/14/07/384531407.db2.gz NGDYZLQYNOTOKQ-GHMZBOCLSA-N 1 3 233.315 0.640 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624254 384588343 /nfs/dbraw/zinc/58/83/43/384588343.db2.gz QNVKRXAFSLDOOI-RYUDHWBXSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040624254 384588350 /nfs/dbraw/zinc/58/83/50/384588350.db2.gz QNVKRXAFSLDOOI-RYUDHWBXSA-N 1 3 241.379 0.816 20 0 BCADHO CCN(CC)CC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC000647530392 384607853 /nfs/dbraw/zinc/60/78/53/384607853.db2.gz DLGPJPVCSLHKDO-MNOVXSKESA-N 1 3 218.341 0.050 20 0 BCADHO CC[C@@H](O)C[NH2+][C@H](CO)CCN(CC)CC ZINC000647530474 384611528 /nfs/dbraw/zinc/61/15/28/384611528.db2.gz SLCHILHRIULXEE-NWDGAFQWSA-N 1 3 232.368 0.440 20 0 BCADHO C[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C[C@@H]1C[NH3+] ZINC000643079579 384619863 /nfs/dbraw/zinc/61/98/63/384619863.db2.gz IQTXGGXZOXQELM-YPMHNXCESA-N 1 3 249.358 0.802 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236837987 384592759 /nfs/dbraw/zinc/59/27/59/384592759.db2.gz GTMLFNUQUVWHDW-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCC[NH2+]CC1 ZINC000517961309 384593410 /nfs/dbraw/zinc/59/34/10/384593410.db2.gz PEGROVQLOMDTIO-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOC[C@@H]1CCCO1 ZINC000569349542 384638493 /nfs/dbraw/zinc/63/84/93/384638493.db2.gz LLZNAMVQXCSXOI-AVGNSLFASA-N 1 3 242.363 0.899 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000569349542 384638499 /nfs/dbraw/zinc/63/84/99/384638499.db2.gz LLZNAMVQXCSXOI-AVGNSLFASA-N 1 3 242.363 0.899 20 0 BCADHO N[C@H](CC(=O)NCC1C[NH2+]C1)c1ccccc1 ZINC000646901480 384652437 /nfs/dbraw/zinc/65/24/37/384652437.db2.gz AFZCADGRYJJDGL-GFCCVEGCSA-N 1 3 233.315 0.412 20 0 BCADHO CN(C)Cc1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000646901769 384689032 /nfs/dbraw/zinc/68/90/32/384689032.db2.gz NOOJIATZKLAHDF-UHFFFAOYSA-N 1 3 247.342 0.697 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449604195 384690320 /nfs/dbraw/zinc/69/03/20/384690320.db2.gz SOTFTZWSUHUCGQ-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO C[NH2+]CC(=O)N1CCCC[C@@H]1CN(C)C ZINC000083914413 384774694 /nfs/dbraw/zinc/77/46/94/384774694.db2.gz ZFLPWDAIBPFTTH-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000145748694 384780945 /nfs/dbraw/zinc/78/09/45/384780945.db2.gz GZQSHSCCIZROTM-QWHCGFSZSA-N 1 3 247.342 0.425 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368371989 384776435 /nfs/dbraw/zinc/77/64/35/384776435.db2.gz YPRFEQOEIKYLFC-MDZLAQPJSA-N 1 3 239.363 0.714 20 0 BCADHO CCN(C)CCNC(=O)CC[NH2+]C1CC1 ZINC000054133237 384733464 /nfs/dbraw/zinc/73/34/64/384733464.db2.gz YTPYIMIZABZRHA-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037453 384779607 /nfs/dbraw/zinc/77/96/07/384779607.db2.gz IBDJMHLHEWONKD-MNOVXSKESA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1C[NH2+]C[C@@H](NC[C@@H]2C[C@H](F)CN2)C1 ZINC000647548028 384750759 /nfs/dbraw/zinc/75/07/59/384750759.db2.gz SEYYVZJVNVLPDY-NAKRPEOUSA-N 1 3 215.316 0.274 20 0 BCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037454 384780098 /nfs/dbraw/zinc/78/00/98/384780098.db2.gz IBDJMHLHEWONKD-QWRGUYRKSA-N 1 3 237.347 0.291 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449650277 384815462 /nfs/dbraw/zinc/81/54/62/384815462.db2.gz TYMPHHLKUBWCEI-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CN[C@@H](C)CC(N)=O)C[NH+]1CCCC1 ZINC000336754834 384827979 /nfs/dbraw/zinc/82/79/79/384827979.db2.gz XIUDMTXVXCPLBG-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](C[NH2+][C@@H](C)CC(N)=O)CN1CCCC1 ZINC000336754834 384827983 /nfs/dbraw/zinc/82/79/83/384827983.db2.gz XIUDMTXVXCPLBG-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO NC1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000083836044 384799573 /nfs/dbraw/zinc/79/95/73/384799573.db2.gz NGLUZCGHCSHHJB-SNVBAGLBSA-N 1 3 223.320 0.174 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000648190313 384803785 /nfs/dbraw/zinc/80/37/85/384803785.db2.gz QJJAKLMTFQWDPW-YIZRAAEISA-N 1 3 249.305 0.473 20 0 BCADHO CC[N@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC000101956871 384900642 /nfs/dbraw/zinc/90/06/42/384900642.db2.gz RDCXGUJJCOJQLX-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+](CCNC(=O)CN(C)C(C)C)C1CC1 ZINC000101956871 384900645 /nfs/dbraw/zinc/90/06/45/384900645.db2.gz RDCXGUJJCOJQLX-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262654490 384906711 /nfs/dbraw/zinc/90/67/11/384906711.db2.gz BYHFSAHWZBPQAD-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)C1CCN(C)CC1 ZINC000257752896 384924526 /nfs/dbraw/zinc/92/45/26/384924526.db2.gz MMIDTTLSHLUKHS-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000257709670 384924989 /nfs/dbraw/zinc/92/49/89/384924989.db2.gz QJOYZEHSRQEGLQ-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H](C(=O)NC[C@H]1CCCN1C)C1C[NH2+]C1 ZINC000226078103 384938796 /nfs/dbraw/zinc/93/87/96/384938796.db2.gz DHXDSSZUGFKCSQ-MWLCHTKSSA-N 1 3 225.336 0.052 20 0 BCADHO C[C@H](C(=O)NC[C@@H]1CCCN1C)C1C[NH2+]C1 ZINC000226078093 384939292 /nfs/dbraw/zinc/93/92/92/384939292.db2.gz DHXDSSZUGFKCSQ-ONGXEEELSA-N 1 3 225.336 0.052 20 0 BCADHO COC(=O)CCCN[C@H]1CC[NH2+]CC1(C)C ZINC000300826255 384969107 /nfs/dbraw/zinc/96/91/07/384969107.db2.gz JNLIWWYRJXFQIQ-JTQLQIEISA-N 1 3 228.336 0.917 20 0 BCADHO COC(=O)CCC[NH2+][C@H]1CCNCC1(C)C ZINC000300826255 384969115 /nfs/dbraw/zinc/96/91/15/384969115.db2.gz JNLIWWYRJXFQIQ-JTQLQIEISA-N 1 3 228.336 0.917 20 0 BCADHO C[C@@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000644601524 385002618 /nfs/dbraw/zinc/00/26/18/385002618.db2.gz SAEGKPWNZXQTDF-RTXFEEFZSA-N 1 3 242.363 0.335 20 0 BCADHO CCN(CCNC(=O)C(C)(C)C[NH3+])C1CC1 ZINC000226397595 385008624 /nfs/dbraw/zinc/00/86/24/385008624.db2.gz MSJCKKLKKPLCKP-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)N)n1 ZINC000236989190 385009227 /nfs/dbraw/zinc/00/92/27/385009227.db2.gz IXXDYKWUMJMEMJ-UHFFFAOYSA-N 1 3 239.323 0.121 20 0 BCADHO C[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCCN1 ZINC000449729486 385074531 /nfs/dbraw/zinc/07/45/31/385074531.db2.gz ZWIRIUISUWAGFX-NQBHXWOUSA-N 1 3 239.363 0.762 20 0 BCADHO CN1CCC(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000646985485 385112222 /nfs/dbraw/zinc/11/22/22/385112222.db2.gz AFTHSMYHUUDHNJ-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H]1CN(C(=O)C2(N)CCC2)CC[C@H]1[NH3+] ZINC000647006127 385141584 /nfs/dbraw/zinc/14/15/84/385141584.db2.gz LJDWMCACCGZWTP-NXEZZACHSA-N 1 3 225.336 0.454 20 0 BCADHO O=C([C@H]1CCCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000157253391 385117012 /nfs/dbraw/zinc/11/70/12/385117012.db2.gz RTISIMNQMCYPQL-NWDGAFQWSA-N 1 3 237.347 0.435 20 0 BCADHO CC1([NH3+])CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000646993174 385121020 /nfs/dbraw/zinc/12/10/20/385121020.db2.gz KXZXFLXNCWZRHW-JTQLQIEISA-N 1 3 225.336 0.454 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993893 385123242 /nfs/dbraw/zinc/12/32/42/385123242.db2.gz NCRJJXAGPZJVKX-ZJUUUORDSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@H](C(=O)N1CCC[C@@H](N(C)C)C1)C1C[NH2+]C1 ZINC000164625107 385125235 /nfs/dbraw/zinc/12/52/35/385125235.db2.gz NCWAWMUEDQAAQF-CMPLNLGQSA-N 1 3 239.363 0.395 20 0 BCADHO [NH3+]C[C@H](C(=O)N1CCCNCC1)c1ccccc1 ZINC000061611356 385125296 /nfs/dbraw/zinc/12/52/96/385125296.db2.gz QCYAKTFJGJMACG-ZDUSSCGKSA-N 1 3 247.342 0.551 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1NCC1(C)C ZINC000647015978 385142515 /nfs/dbraw/zinc/14/25/15/385142515.db2.gz ISTFQGUNSMAYSV-LPEHRKFASA-N 1 3 225.336 0.241 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)C(C)C)CC[C@@H]1[NH3+] ZINC000647002249 385136941 /nfs/dbraw/zinc/13/69/41/385136941.db2.gz ZGLUGEZKZAMJRS-VWYCJHECSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)CC[C@@H]1[NH3+] ZINC000647002247 385137535 /nfs/dbraw/zinc/13/75/35/385137535.db2.gz ZGLUGEZKZAMJRS-DCAQKATOSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000644677978 385088678 /nfs/dbraw/zinc/08/86/78/385088678.db2.gz XFKSJUFJZOBKKG-CYBMUJFWSA-N 1 3 243.395 0.373 20 0 BCADHO CO[C@@H]1CCC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000310506201 385098481 /nfs/dbraw/zinc/09/84/81/385098481.db2.gz JDYTXTDNZPHRSB-JHJVBQTASA-N 1 3 242.363 0.599 20 0 BCADHO CO[C@@H]1CCC[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310506201 385098489 /nfs/dbraw/zinc/09/84/89/385098489.db2.gz JDYTXTDNZPHRSB-JHJVBQTASA-N 1 3 242.363 0.599 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)C2CCC2)CC[C@H]1[NH3+] ZINC000647005502 385140782 /nfs/dbraw/zinc/14/07/82/385140782.db2.gz AXSDTHJKXVMPIU-JLLWLGSASA-N 1 3 239.363 0.700 20 0 BCADHO CC1(C)[C@H](NCCn2cccn2)C[C@@H]1[NH3+] ZINC000404855750 385106504 /nfs/dbraw/zinc/10/65/04/385106504.db2.gz SDMKFSHHPGKPAX-VHSXEESVSA-N 1 3 208.309 0.599 20 0 BCADHO CC1(C)[C@H]([NH2+]CCn2cccn2)C[C@@H]1N ZINC000404855750 385106510 /nfs/dbraw/zinc/10/65/10/385106510.db2.gz SDMKFSHHPGKPAX-VHSXEESVSA-N 1 3 208.309 0.599 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NCCn1cccn1 ZINC000404855749 385107613 /nfs/dbraw/zinc/10/76/13/385107613.db2.gz SDMKFSHHPGKPAX-UWVGGRQHSA-N 1 3 208.309 0.599 20 0 BCADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCn1cccn1 ZINC000404855749 385107618 /nfs/dbraw/zinc/10/76/18/385107618.db2.gz SDMKFSHHPGKPAX-UWVGGRQHSA-N 1 3 208.309 0.599 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000647056249 385196965 /nfs/dbraw/zinc/19/69/65/385196965.db2.gz XWGDDLFKXOUSCG-MNOVXSKESA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CC[NH2+]1 ZINC000647018319 385143609 /nfs/dbraw/zinc/14/36/09/385143609.db2.gz BLQHRCMNLKQZRZ-IEBDPFPHSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000647021360 385151699 /nfs/dbraw/zinc/15/16/99/385151699.db2.gz LKRREZLJYLEGNY-SKDRFNHKSA-N 1 3 233.315 0.337 20 0 BCADHO C[C@H]([NH3+])CNC(=O)c1ccc(CN(C)C)cc1 ZINC000647021805 385153272 /nfs/dbraw/zinc/15/32/72/385153272.db2.gz FJRGCZIKSNRKKI-JTQLQIEISA-N 1 3 235.331 0.825 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000647022842 385155890 /nfs/dbraw/zinc/15/58/90/385155890.db2.gz HXVAJJKTSYGZFU-LDYMZIIASA-N 1 3 239.294 0.331 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000647026442 385160058 /nfs/dbraw/zinc/16/00/58/385160058.db2.gz WEYDSKWBQNQYFT-WDEREUQCSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1cccc2c1CNCC2 ZINC000367495880 385164794 /nfs/dbraw/zinc/16/47/94/385164794.db2.gz AOUJFQMTKKZYLM-VIFPVBQESA-N 1 3 233.315 0.866 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427795863 385173106 /nfs/dbraw/zinc/17/31/06/385173106.db2.gz GGIXPCKJOVCBJT-TXEJJXNPSA-N 1 3 239.363 0.348 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427795863 385173113 /nfs/dbraw/zinc/17/31/13/385173113.db2.gz GGIXPCKJOVCBJT-TXEJJXNPSA-N 1 3 239.363 0.348 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000647063848 385207575 /nfs/dbraw/zinc/20/75/75/385207575.db2.gz XLPJVWUOXOHKGL-RITPCOANSA-N 1 3 227.230 0.120 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647072051 385217577 /nfs/dbraw/zinc/21/75/77/385217577.db2.gz YTQYEQHRIXOYBW-RQJHMYQMSA-N 1 3 235.278 0.083 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000157641243 385236995 /nfs/dbraw/zinc/23/69/95/385236995.db2.gz DOHIBUUHHBWMCR-UTUOFQBUSA-N 1 3 241.379 0.816 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)CC1 ZINC000364195099 385244050 /nfs/dbraw/zinc/24/40/50/385244050.db2.gz BIUUHCMMDWLDLI-ONGXEEELSA-N 1 3 223.320 0.208 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C ZINC000045108028 385245867 /nfs/dbraw/zinc/24/58/67/385245867.db2.gz RYAYFKUXFLWRLW-ZJUUUORDSA-N 1 3 215.341 0.284 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058235 385204918 /nfs/dbraw/zinc/20/49/18/385204918.db2.gz XAVWVKFAMPRRFQ-UTLUCORTSA-N 1 3 231.315 0.191 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@]1(F)CCNC1 ZINC000364261309 385302415 /nfs/dbraw/zinc/30/24/15/385302415.db2.gz VYLQWTQAKJVVMF-LLVKDONJSA-N 1 3 231.315 0.146 20 0 BCADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH3+])C1)N(C)C ZINC000157925918 385313395 /nfs/dbraw/zinc/31/33/95/385313395.db2.gz NBTGIKMMBQHYPW-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095552 385266978 /nfs/dbraw/zinc/26/69/78/385266978.db2.gz ZOMHECMPAKOQLA-JTQLQIEISA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CCCC1 ZINC000165115325 385351470 /nfs/dbraw/zinc/35/14/70/385351470.db2.gz QHTKOHBVHIBYCU-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO N[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131827177 385361753 /nfs/dbraw/zinc/36/17/53/385361753.db2.gz SRYYSXFVJOQQTI-OLZOCXBDSA-N 1 3 247.342 0.802 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000178404060 385367151 /nfs/dbraw/zinc/36/71/51/385367151.db2.gz QTGJJULPJBMTDG-OLZOCXBDSA-N 1 3 247.342 0.425 20 0 BCADHO CO[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000400151185 385327327 /nfs/dbraw/zinc/32/73/27/385327327.db2.gz QKQGKGQFUKMCMH-TUAOUCFPSA-N 1 3 210.321 0.563 20 0 BCADHO CN(CCC[NH3+])C(=O)[C@@H]1CNCCC1(F)F ZINC000644066882 385415150 /nfs/dbraw/zinc/41/51/50/385415150.db2.gz UQVLBDMDMULITL-QMMMGPOBSA-N 1 3 235.278 0.038 20 0 BCADHO NC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731470 385415921 /nfs/dbraw/zinc/41/59/21/385415921.db2.gz RMVYQNCYFXKAEM-CHWSQXEVSA-N 1 3 247.342 0.597 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1cccc2c1CCNC2 ZINC000644086581 385438454 /nfs/dbraw/zinc/43/84/54/385438454.db2.gz BMNBMVMOZSEQBT-VIFPVBQESA-N 1 3 233.315 0.866 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000170786958 385445711 /nfs/dbraw/zinc/44/57/11/385445711.db2.gz UNLCLHFFUMZYRM-STQMWFEESA-N 1 3 247.342 0.506 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000170786969 385445794 /nfs/dbraw/zinc/44/57/94/385445794.db2.gz UNLCLHFFUMZYRM-QWHCGFSZSA-N 1 3 247.342 0.506 20 0 BCADHO CC1(C(=O)Nc2cnc3c(c2)CNCC3)C[NH2+]C1 ZINC000644103319 385472407 /nfs/dbraw/zinc/47/24/07/385472407.db2.gz WEVPNEADXDSHHZ-UHFFFAOYSA-N 1 3 246.314 0.275 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000644099503 385472649 /nfs/dbraw/zinc/47/26/49/385472649.db2.gz JTEBNOIRPPANNA-QWRGUYRKSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364564426 385476159 /nfs/dbraw/zinc/47/61/59/385476159.db2.gz XCVPWJNIAFNZHT-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO N[C@@H](CC1CCCCC1)C(=O)NCC1C[NH2+]C1 ZINC000644104954 385479005 /nfs/dbraw/zinc/47/90/05/385479005.db2.gz LETKWSTXLGZXIT-LBPRGKRZSA-N 1 3 239.363 0.620 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000644107146 385483519 /nfs/dbraw/zinc/48/35/19/385483519.db2.gz WCYITZWFLSWYQQ-SNVBAGLBSA-N 1 3 239.363 0.490 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000644115468 385494171 /nfs/dbraw/zinc/49/41/71/385494171.db2.gz WKUGXGZOWYKBQF-UTLUCORTSA-N 1 3 225.336 0.099 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1NCC1(C)C ZINC000644115466 385494477 /nfs/dbraw/zinc/49/44/77/385494477.db2.gz WKUGXGZOWYKBQF-KXUCPTDWSA-N 1 3 225.336 0.099 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000110653822 385495587 /nfs/dbraw/zinc/49/55/87/385495587.db2.gz UZJAUGSRDOBBAF-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000110653822 385495590 /nfs/dbraw/zinc/49/55/90/385495590.db2.gz UZJAUGSRDOBBAF-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO Cn1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000257755776 385498104 /nfs/dbraw/zinc/49/81/04/385498104.db2.gz WGHHMMVDHIXNAN-CQSZACIVSA-N 1 3 248.374 0.505 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCCN1 ZINC000309295316 385517690 /nfs/dbraw/zinc/51/76/90/385517690.db2.gz RJKYPRONBXYJJT-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC000644122660 385501759 /nfs/dbraw/zinc/50/17/59/385501759.db2.gz VADDHFRLVZAWSW-SECBINFHSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)CC(F)F ZINC000309259294 385504083 /nfs/dbraw/zinc/50/40/83/385504083.db2.gz CYRANKPDDBFXBP-QMMMGPOBSA-N 1 3 237.294 0.425 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)CC(F)F ZINC000309259294 385504087 /nfs/dbraw/zinc/50/40/87/385504087.db2.gz CYRANKPDDBFXBP-QMMMGPOBSA-N 1 3 237.294 0.425 20 0 BCADHO COCC[C@H](CO)NC1CC[NH+](C(C)C)CC1 ZINC000302339166 385515708 /nfs/dbraw/zinc/51/57/08/385515708.db2.gz UPTGYLUTVYQTHG-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO CN1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC000644811861 385516516 /nfs/dbraw/zinc/51/65/16/385516516.db2.gz BHJGNUJXBTYKEZ-GRYCIOLGSA-N 1 3 237.347 0.101 20 0 BCADHO CN1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000644811861 385516519 /nfs/dbraw/zinc/51/65/19/385516519.db2.gz BHJGNUJXBTYKEZ-GRYCIOLGSA-N 1 3 237.347 0.101 20 0 BCADHO CN1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC000644811873 385517341 /nfs/dbraw/zinc/51/73/41/385517341.db2.gz BHJGNUJXBTYKEZ-WOPDTQHZSA-N 1 3 237.347 0.101 20 0 BCADHO CN1C[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC000644811873 385517342 /nfs/dbraw/zinc/51/73/42/385517342.db2.gz BHJGNUJXBTYKEZ-WOPDTQHZSA-N 1 3 237.347 0.101 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1CNCCC1(F)F ZINC000647669581 385537926 /nfs/dbraw/zinc/53/79/26/385537926.db2.gz XVYJSMMHGKPYAF-SECBINFHSA-N 1 3 249.305 0.347 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000647669582 385538042 /nfs/dbraw/zinc/53/80/42/385538042.db2.gz XVYJSMMHGKPYAF-VIFPVBQESA-N 1 3 249.305 0.347 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000644149205 385546105 /nfs/dbraw/zinc/54/61/05/385546105.db2.gz KMIKGAXCBLXZEF-HBNTYKKESA-N 1 3 237.347 0.195 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000364990977 385557397 /nfs/dbraw/zinc/55/73/97/385557397.db2.gz XIVRUYOSRKRUJG-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000364990977 385557399 /nfs/dbraw/zinc/55/73/99/385557399.db2.gz XIVRUYOSRKRUJG-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366558944 385596421 /nfs/dbraw/zinc/59/64/21/385596421.db2.gz XENVSZSOYFZVBM-RCWTZXSCSA-N 1 3 243.326 0.320 20 0 BCADHO CCOC(=O)C[C@H](C)[N@H+](C)CC(C)(C)N ZINC000309500789 385636999 /nfs/dbraw/zinc/63/69/99/385636999.db2.gz UXUNNTYWAHBXJY-VIFPVBQESA-N 1 3 216.325 0.997 20 0 BCADHO CCOC(=O)C[C@H](C)[N@@H+](C)CC(C)(C)N ZINC000309500789 385637005 /nfs/dbraw/zinc/63/70/05/385637005.db2.gz UXUNNTYWAHBXJY-VIFPVBQESA-N 1 3 216.325 0.997 20 0 BCADHO CCN(C)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054293015 385612294 /nfs/dbraw/zinc/61/22/94/385612294.db2.gz MBMVZPRGMOBATL-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CCN(c2ccncc2)CC1 ZINC000645220906 385686962 /nfs/dbraw/zinc/68/69/62/385686962.db2.gz ARWDAKSXNPPFSU-LLVKDONJSA-N 1 3 248.330 0.325 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645165 385742253 /nfs/dbraw/zinc/74/22/53/385742253.db2.gz KWQDRHCPSQJVEI-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCC[C@H]1CN(C)C ZINC000061645206 385742465 /nfs/dbraw/zinc/74/24/65/385742465.db2.gz XEQMVDPINSLPSQ-UWVGGRQHSA-N 1 3 213.325 0.147 20 0 BCADHO CC(=O)N1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000336703260 385773253 /nfs/dbraw/zinc/77/32/53/385773253.db2.gz KKJJTUMZHYLZKN-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645287960 385806132 /nfs/dbraw/zinc/80/61/32/385806132.db2.gz DPXJCNDKGBKVPC-NSHDSACASA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000261615310 385824712 /nfs/dbraw/zinc/82/47/12/385824712.db2.gz AQBNACFAHFWVOL-PWSUYJOCSA-N 1 3 235.331 0.801 20 0 BCADHO C[C@@H]1OCC[C@@]1(C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000336718877 385845878 /nfs/dbraw/zinc/84/58/78/385845878.db2.gz RGWSAWSEUINWHX-CYZMBNFOSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@@H]1OCC[C@@]1(C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336718877 385845880 /nfs/dbraw/zinc/84/58/80/385845880.db2.gz RGWSAWSEUINWHX-CYZMBNFOSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262427159 385845887 /nfs/dbraw/zinc/84/58/87/385845887.db2.gz CYNFIJBYKUHRKG-NSHDSACASA-N 1 3 235.331 0.711 20 0 BCADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)CN)cc1 ZINC000262438404 385846115 /nfs/dbraw/zinc/84/61/15/385846115.db2.gz MPEWHDCKHQDTSE-GFCCVEGCSA-N 1 3 235.331 0.885 20 0 BCADHO C[C@@H]1OCC[C@]1(C)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000336718880 385846278 /nfs/dbraw/zinc/84/62/78/385846278.db2.gz RGWSAWSEUINWHX-UHTWSYAYSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@@H]1OCC[C@]1(C)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336718880 385846281 /nfs/dbraw/zinc/84/62/81/385846281.db2.gz RGWSAWSEUINWHX-UHTWSYAYSA-N 1 3 242.363 0.599 20 0 BCADHO C[NH+](C)CC1CCN([C@H]2CCNC2=O)CC1 ZINC000336558666 385846897 /nfs/dbraw/zinc/84/68/97/385846897.db2.gz YEKBOTYYFHEFCG-NSHDSACASA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](C(=O)N[C@@H](C)C[NH3+])[C@@H](N)c1ccccc1 ZINC000262518518 385854540 /nfs/dbraw/zinc/85/45/40/385854540.db2.gz HMWADAHRFQJFED-HOSYDEDBSA-N 1 3 235.331 0.786 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647845304 385885669 /nfs/dbraw/zinc/88/56/69/385885669.db2.gz USNMXVBPQDOXNY-WCQYABFASA-N 1 3 249.358 0.945 20 0 BCADHO CC1(C)CNCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000647841279 385890162 /nfs/dbraw/zinc/89/01/62/385890162.db2.gz FXGYGKRZSCBZKE-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000262827706 385891545 /nfs/dbraw/zinc/89/15/45/385891545.db2.gz UJJTXRYHJQRMBA-WDEREUQCSA-N 1 3 247.342 0.968 20 0 BCADHO CN(CCC[NH3+])CCC(=O)NC1CCCC1 ZINC000647848399 385898274 /nfs/dbraw/zinc/89/82/74/385898274.db2.gz QBGQCQCIIZHECL-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](CC[NH3+])NCc1ccc2c(c1)nnn2C ZINC000414876885 385915616 /nfs/dbraw/zinc/91/56/16/385915616.db2.gz FEJLQWMQAWASME-SECBINFHSA-N 1 3 233.319 0.795 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000338189864 385917394 /nfs/dbraw/zinc/91/73/94/385917394.db2.gz HMLSWCODBZDXEM-ZJUUUORDSA-N 1 3 215.341 0.393 20 0 BCADHO CN(C(=O)CCC[NH3+])C1CCN(C)CC1 ZINC000055368221 385924532 /nfs/dbraw/zinc/92/45/32/385924532.db2.gz BWKGCSHWZWCQGT-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO NCc1cccc2c1N(C(=O)CC[NH3+])CCC2 ZINC000638551293 385872530 /nfs/dbraw/zinc/87/25/30/385872530.db2.gz VSMGZZVKHDXRTH-UHFFFAOYSA-N 1 3 233.315 0.773 20 0 BCADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(N)c1 ZINC000647835795 385879791 /nfs/dbraw/zinc/87/97/91/385879791.db2.gz OQNKVIUXCFUEKN-UHFFFAOYSA-N 1 3 248.374 0.606 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C)C[NH2+]C ZINC000236842374 259678308 /nfs/dbraw/zinc/67/83/08/259678308.db2.gz PNMUPLNGOYOWBO-SNVBAGLBSA-N 1 3 215.341 0.300 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000295173091 385985264 /nfs/dbraw/zinc/98/52/64/385985264.db2.gz LRKWRXDKUKAJSK-CHWSQXEVSA-N 1 3 249.358 0.828 20 0 BCADHO Cn1ccc(CN[C@@](C)(C[NH3+])C2CC2)cc1=O ZINC000647867925 385987267 /nfs/dbraw/zinc/98/72/67/385987267.db2.gz GKORMMGLPKIWJC-ZDUSSCGKSA-N 1 3 235.331 0.602 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@H](N)Cc1ccccc1 ZINC000295185311 385988019 /nfs/dbraw/zinc/98/80/19/385988019.db2.gz NHBBVGPMASSEFJ-LLVKDONJSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](N)c1ccccc1 ZINC000295192982 385988150 /nfs/dbraw/zinc/98/81/50/385988150.db2.gz ODEYBXVHDSLFTD-ZWNOBZJWSA-N 1 3 247.342 0.943 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251247866 385960768 /nfs/dbraw/zinc/96/07/68/385960768.db2.gz BKXQUSIPXXHKRM-WOPDTQHZSA-N 1 3 239.363 0.809 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000251247866 385960774 /nfs/dbraw/zinc/96/07/74/385960774.db2.gz BKXQUSIPXXHKRM-WOPDTQHZSA-N 1 3 239.363 0.809 20 0 BCADHO CC[NH+](CC)CCCNC1(CO)CCOCC1 ZINC000338314655 385965436 /nfs/dbraw/zinc/96/54/36/385965436.db2.gz MUIMJGFFRXMSRJ-UHFFFAOYSA-N 1 3 244.379 0.849 20 0 BCADHO CCN(CC)CCC[NH2+]C1(CO)CCOCC1 ZINC000338314655 385965443 /nfs/dbraw/zinc/96/54/43/385965443.db2.gz MUIMJGFFRXMSRJ-UHFFFAOYSA-N 1 3 244.379 0.849 20 0 BCADHO C[NH2+]CCOCCNC(=O)[C@@H](N)CCC(C)C ZINC000638575082 386002287 /nfs/dbraw/zinc/00/22/87/386002287.db2.gz JUBSZSDLQMMADH-NSHDSACASA-N 1 3 245.367 0.102 20 0 BCADHO CC(C)([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000263321046 386020765 /nfs/dbraw/zinc/02/07/65/386020765.db2.gz IYLXSNFDLBGBRG-LLVKDONJSA-N 1 3 235.331 0.930 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335061362 386026931 /nfs/dbraw/zinc/02/69/31/386026931.db2.gz NGDYZLQYNOTOKQ-MNOVXSKESA-N 1 3 233.315 0.640 20 0 BCADHO C[C@]1(CNC(=O)[C@H](N)C2CCC2)CCC[NH2+]C1 ZINC000331827184 386056908 /nfs/dbraw/zinc/05/69/08/386056908.db2.gz CURSKYZOOZMXSS-YPMHNXCESA-N 1 3 239.363 0.620 20 0 BCADHO CCN(C)CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000129027523 386044447 /nfs/dbraw/zinc/04/44/47/386044447.db2.gz VZDTXFMGPQDRBH-GFCCVEGCSA-N 1 3 227.352 0.587 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133681 386110218 /nfs/dbraw/zinc/11/02/18/386110218.db2.gz KRKLMZNOTKSVBV-LBPRGKRZSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133681 386110222 /nfs/dbraw/zinc/11/02/22/386110222.db2.gz KRKLMZNOTKSVBV-LBPRGKRZSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCc1ccccc1CN(C)C ZINC000054344716 386121366 /nfs/dbraw/zinc/12/13/66/386121366.db2.gz FXJJGDARPZEPNH-NSHDSACASA-N 1 3 249.358 0.959 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000345293100 386094149 /nfs/dbraw/zinc/09/41/49/386094149.db2.gz DVBXVWYJXQINGC-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000345293100 386094156 /nfs/dbraw/zinc/09/41/56/386094156.db2.gz DVBXVWYJXQINGC-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CN(C)CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055122429 386157663 /nfs/dbraw/zinc/15/76/63/386157663.db2.gz LAVCRUQQSZJKSO-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)N(C)C ZINC000346134270 386163868 /nfs/dbraw/zinc/16/38/68/386163868.db2.gz BZYRBRXOTBXKEW-ZJUUUORDSA-N 1 3 215.341 0.393 20 0 BCADHO CN1CCC(C(=O)NCCCC[NH+](C)C)CC1 ZINC000346137175 386165025 /nfs/dbraw/zinc/16/50/25/386165025.db2.gz UCOHCRYZYGCSCV-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCCC[C@@H]2C(N)=O)CC[NH2+]1 ZINC000414681592 386165210 /nfs/dbraw/zinc/16/52/10/386165210.db2.gz PMYFCGIKIUYOHZ-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO NC1(C(=O)NC2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000334479748 386169542 /nfs/dbraw/zinc/16/95/42/386169542.db2.gz SNOLWZBJMYLCDH-IXBNRNDTSA-N 1 3 237.347 0.500 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393458189 386128793 /nfs/dbraw/zinc/12/87/93/386128793.db2.gz FRKAQTZRFUGHEK-WRWGMCAJSA-N 1 3 210.321 0.726 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393458189 386128800 /nfs/dbraw/zinc/12/88/00/386128800.db2.gz FRKAQTZRFUGHEK-WRWGMCAJSA-N 1 3 210.321 0.726 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000129850257 386130128 /nfs/dbraw/zinc/13/01/28/386130128.db2.gz LRLMLMCMLWTKSD-VXGBXAGGSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310136366 386133735 /nfs/dbraw/zinc/13/37/35/386133735.db2.gz ZNPSZYOBXJFWRT-NHCYSSNCSA-N 1 3 239.363 0.522 20 0 BCADHO CCN(CCNC(=O)NCCCC[NH3+])C1CC1 ZINC000417490613 386143827 /nfs/dbraw/zinc/14/38/27/386143827.db2.gz RPZHLUHDBGLOOF-UHFFFAOYSA-N 1 3 242.367 0.509 20 0 BCADHO CC(C)(C)[NH2+]CCN[C@H]1CNCCC1(F)F ZINC000414998733 386205860 /nfs/dbraw/zinc/20/58/60/386205860.db2.gz JHOUREWSFUKXTL-VIFPVBQESA-N 1 3 235.322 0.961 20 0 BCADHO [NH3+]CCCN1CCCC[C@@H]1CN1CCOCC1 ZINC000414702488 386207744 /nfs/dbraw/zinc/20/77/44/386207744.db2.gz XLEAKMISVXGPNY-CYBMUJFWSA-N 1 3 241.379 0.522 20 0 BCADHO CCCN(CC(=O)NC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414700657 386207806 /nfs/dbraw/zinc/20/78/06/386207806.db2.gz ZQAYSWPENXAVQV-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000131761679 386222519 /nfs/dbraw/zinc/22/25/19/386222519.db2.gz PXDAWYOGMIMZEK-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)C2(N)CCCCC2)C1 ZINC000131773379 386222942 /nfs/dbraw/zinc/22/29/42/386222942.db2.gz WKWMVFJVYYTWRU-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO NC(=O)C[C@H]1CCCCN1C[C@@H]1CC[NH2+]C1 ZINC000647882661 386233601 /nfs/dbraw/zinc/23/36/01/386233601.db2.gz LBBIYJQVMSVUBU-GHMZBOCLSA-N 1 3 225.336 0.326 20 0 BCADHO NC(=O)CC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647882720 386236735 /nfs/dbraw/zinc/23/67/35/386236735.db2.gz VNBPFCWZYDOAEH-NWDGAFQWSA-N 1 3 239.363 0.573 20 0 BCADHO CCN[C@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350038 386242196 /nfs/dbraw/zinc/24/21/96/386242196.db2.gz AMFXONQRZFXCJL-PWSUYJOCSA-N 1 3 247.342 0.901 20 0 BCADHO CCN[C@@H](C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350036 386242317 /nfs/dbraw/zinc/24/23/17/386242317.db2.gz AMFXONQRZFXCJL-CMPLNLGQSA-N 1 3 247.342 0.901 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@H](CO)C1 ZINC000414696738 386196401 /nfs/dbraw/zinc/19/64/01/386196401.db2.gz QFJXZLQQGGPFJG-WDEREUQCSA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@H](CO)C1 ZINC000414696738 386196402 /nfs/dbraw/zinc/19/64/02/386196402.db2.gz QFJXZLQQGGPFJG-WDEREUQCSA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)C[C@H](N)C[N@@H+]1CC[C@@H](CO)C1 ZINC000414696735 386197209 /nfs/dbraw/zinc/19/72/09/386197209.db2.gz QFJXZLQQGGPFJG-MNOVXSKESA-N 1 3 200.326 0.674 20 0 BCADHO CC(C)C[C@H](N)C[N@H+]1CC[C@@H](CO)C1 ZINC000414696735 386197212 /nfs/dbraw/zinc/19/72/12/386197212.db2.gz QFJXZLQQGGPFJG-MNOVXSKESA-N 1 3 200.326 0.674 20 0 BCADHO CC[C@@H]1C(=O)NCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695139 386198333 /nfs/dbraw/zinc/19/83/33/386198333.db2.gz OEBDJPSKICXIGC-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000091394254 386297891 /nfs/dbraw/zinc/29/78/91/386297891.db2.gz ZQPMDUCQIJZDCA-WDEREUQCSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000091394255 386298022 /nfs/dbraw/zinc/29/80/22/386298022.db2.gz ZQPMDUCQIJZDCA-GHMZBOCLSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H](O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000336670419 386314735 /nfs/dbraw/zinc/31/47/35/386314735.db2.gz GQCHMTOWOYCCJO-WDEREUQCSA-N 1 3 200.326 0.641 20 0 BCADHO CC[NH2+]CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417538670 386315598 /nfs/dbraw/zinc/31/55/98/386315598.db2.gz DPJBNLPMCOUEEG-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000236822791 386317423 /nfs/dbraw/zinc/31/74/23/386317423.db2.gz MJFXBZRHHJFLIK-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(N)CC2)C1 ZINC000236822791 386317429 /nfs/dbraw/zinc/31/74/29/386317429.db2.gz MJFXBZRHHJFLIK-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1[C@H](CO)CC[C@H]1CO ZINC000347282425 386318282 /nfs/dbraw/zinc/31/82/82/386318282.db2.gz AXNCCSSEMFQACG-AGIUHOORSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1[C@H](CO)CC[C@H]1CO ZINC000347282425 386318286 /nfs/dbraw/zinc/31/82/86/386318286.db2.gz AXNCCSSEMFQACG-AGIUHOORSA-N 1 3 242.363 0.288 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308440 386270651 /nfs/dbraw/zinc/27/06/51/386270651.db2.gz QPQMTSFRJVEXPT-MNOVXSKESA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308440 386270658 /nfs/dbraw/zinc/27/06/58/386270658.db2.gz QPQMTSFRJVEXPT-MNOVXSKESA-N 1 3 239.363 0.395 20 0 BCADHO CC[C@H](C(=O)NCC1([NH+](C)C)CC1)N(C)C ZINC000416307217 386271300 /nfs/dbraw/zinc/27/13/00/386271300.db2.gz JQMOYKVOMCSHFY-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO c1ncn(CC2CCN(C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000647989996 386386588 /nfs/dbraw/zinc/38/65/88/386386588.db2.gz NORUFEVUTFWRTG-CYBMUJFWSA-N 1 3 249.362 0.600 20 0 BCADHO CC[NH+](CC)CCNC(=O)/C=C/CN(C)C ZINC000265637610 386354656 /nfs/dbraw/zinc/35/46/56/386354656.db2.gz PDSHZLRPVMSAKY-BQYQJAHWSA-N 1 3 227.352 0.562 20 0 BCADHO CCN(CC)CC(=O)NCC[N@H+](C)CC ZINC000112926160 386370673 /nfs/dbraw/zinc/37/06/73/386370673.db2.gz PQDVTSRJGRQLMM-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO CCN(CC)CC(=O)NCC[N@@H+](C)CC ZINC000112926160 386370676 /nfs/dbraw/zinc/37/06/76/386370676.db2.gz PQDVTSRJGRQLMM-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO C[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)N(C)C1CC1 ZINC000417550812 386375808 /nfs/dbraw/zinc/37/58/08/386375808.db2.gz MJOLDJPKBULCTI-VHSXEESVSA-N 1 3 240.351 0.212 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417583694 386412677 /nfs/dbraw/zinc/41/26/77/386412677.db2.gz LILPPBQMZNCHQV-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@H]1CC[NH2+]C1 ZINC000647991491 386415351 /nfs/dbraw/zinc/41/53/51/386415351.db2.gz AAICWXISPYJSTN-MNOVXSKESA-N 1 3 208.309 0.471 20 0 BCADHO C[C@@H](Cn1cccn1)NC[C@@H]1CC[NH2+]C1 ZINC000647991493 386417413 /nfs/dbraw/zinc/41/74/13/386417413.db2.gz AAICWXISPYJSTN-WDEREUQCSA-N 1 3 208.309 0.471 20 0 BCADHO N[C@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237871573 386417801 /nfs/dbraw/zinc/41/78/01/386417801.db2.gz VODCEYRTSYGTJG-QWHCGFSZSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+]CCCN(C)C ZINC000166088225 386417932 /nfs/dbraw/zinc/41/79/32/386417932.db2.gz MUAZWAJHSFOMFR-NEPJUHHUSA-N 1 3 229.368 0.295 20 0 BCADHO C[C@@H](O)CC[NH+]1CCC(N(C)CCCO)CC1 ZINC000336708714 386418496 /nfs/dbraw/zinc/41/84/96/386418496.db2.gz IWJAQRAYCBGSRY-GFCCVEGCSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)[C@H](C)[NH3+])N(C)C ZINC000228608969 386429802 /nfs/dbraw/zinc/42/98/02/386429802.db2.gz ZRTNETCKATYCIT-HLTSFMKQSA-N 1 3 201.314 0.036 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC(C)(C)[NH+](C)C ZINC000394806593 386433450 /nfs/dbraw/zinc/43/34/50/386433450.db2.gz DSRJSQUGLSJHBZ-VIFPVBQESA-N 1 3 227.352 0.583 20 0 BCADHO CN(C)CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093676676 386434973 /nfs/dbraw/zinc/43/49/73/386434973.db2.gz GSXRZGNGRFHJRV-YOGCLGLASA-N 1 3 239.363 0.585 20 0 BCADHO CC1CCN(CCNC(=O)N(C)CC[NH3+])CC1 ZINC000417008199 386435561 /nfs/dbraw/zinc/43/55/61/386435561.db2.gz IINBNJXEBOOYIW-UHFFFAOYSA-N 1 3 242.367 0.318 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NCCN(C)C1CC1 ZINC000417629111 386473806 /nfs/dbraw/zinc/47/38/06/386473806.db2.gz RPKJEGMZTJKBLO-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335453858 386528803 /nfs/dbraw/zinc/52/88/03/386528803.db2.gz GIVNPVCCFRPLSB-PHIMTYICSA-N 1 3 239.363 0.666 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000417290765 386478478 /nfs/dbraw/zinc/47/84/78/386478478.db2.gz YSASGJZKTZSDIQ-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062890450 386528902 /nfs/dbraw/zinc/52/89/02/386528902.db2.gz USKOCVAXORMLBP-LBPRGKRZSA-N 1 3 225.336 0.196 20 0 BCADHO NCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335428613 386484097 /nfs/dbraw/zinc/48/40/97/386484097.db2.gz IXWINQDQCQOBFC-LLVKDONJSA-N 1 3 219.288 0.030 20 0 BCADHO CNCC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000335432890 386491563 /nfs/dbraw/zinc/49/15/63/386491563.db2.gz FEQXBBBEZXQELS-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335432890 386491569 /nfs/dbraw/zinc/49/15/69/386491569.db2.gz FEQXBBBEZXQELS-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO N[C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C1CCC1 ZINC000519601079 386504872 /nfs/dbraw/zinc/50/48/72/386504872.db2.gz NGWZIHYIMRLKFZ-SRVKXCTJSA-N 1 3 237.347 0.324 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335446806 386511199 /nfs/dbraw/zinc/51/11/99/386511199.db2.gz SSCRAJNXHXRODN-GHMZBOCLSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000335446809 386511376 /nfs/dbraw/zinc/51/13/76/386511376.db2.gz SSCRAJNXHXRODN-WDEREUQCSA-N 1 3 239.363 0.572 20 0 BCADHO Cc1cn[nH]c1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000335447270 386513916 /nfs/dbraw/zinc/51/39/16/386513916.db2.gz BRLZPXBOKZHHPS-ZJUUUORDSA-N 1 3 208.309 0.887 20 0 BCADHO Cc1cn[nH]c1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000335447269 386514878 /nfs/dbraw/zinc/51/48/78/386514878.db2.gz BRLZPXBOKZHHPS-VHSXEESVSA-N 1 3 208.309 0.887 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000519655009 386518844 /nfs/dbraw/zinc/51/88/44/386518844.db2.gz WSNUDMAQYMTKRH-NKWVEPMBSA-N 1 3 235.278 0.226 20 0 BCADHO CC(C)[C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415038714 386524345 /nfs/dbraw/zinc/52/43/45/386524345.db2.gz OFCLRDMMQRWKAU-IEECTRCBSA-N 1 3 224.348 0.997 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000399205527 386455316 /nfs/dbraw/zinc/45/53/16/386455316.db2.gz OSCZDTKRYNDWPM-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)C1CCC1)[NH+](C)C ZINC000399223141 386460462 /nfs/dbraw/zinc/46/04/62/386460462.db2.gz LKUFORIRDMWYOF-PSASIEDQSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)C1CCC1)[NH+](C)C ZINC000399223154 386460586 /nfs/dbraw/zinc/46/05/86/386460586.db2.gz LKUFORIRDMWYOF-WPRPVWTQSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)NCCN(C)C1CC1 ZINC000417625431 386463022 /nfs/dbraw/zinc/46/30/22/386463022.db2.gz MCSCAFBWUVXSPC-VIFPVBQESA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335423632 386598532 /nfs/dbraw/zinc/59/85/32/386598532.db2.gz NVDBEVHQTSCKKZ-JOYOIKCWSA-N 1 3 239.363 0.700 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000062972670 386534226 /nfs/dbraw/zinc/53/42/26/386534226.db2.gz KLHBXSRYUHKBSO-NWDGAFQWSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973335 386536178 /nfs/dbraw/zinc/53/61/78/386536178.db2.gz FPSSOXBMARVRQN-QWRGUYRKSA-N 1 3 225.336 0.420 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000519702116 386537352 /nfs/dbraw/zinc/53/73/52/386537352.db2.gz GFZSPGOHWCFUOJ-DJLDLDEBSA-N 1 3 247.289 0.179 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335459723 386539868 /nfs/dbraw/zinc/53/98/68/386539868.db2.gz CHMUIWXSWMYHCR-WPRPVWTQSA-N 1 3 219.288 0.250 20 0 BCADHO C[NH2+]CCCC(=O)NCCN(C)C1CC1 ZINC000062010204 386558219 /nfs/dbraw/zinc/55/82/19/386558219.db2.gz LZRPOSQSDBVUOJ-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCC1)[C@H]1CCC[NH2+]C1 ZINC000335407001 386566868 /nfs/dbraw/zinc/56/68/68/386566868.db2.gz OAXLJSVSKXIAOC-ZJUUUORDSA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000335409108 386570314 /nfs/dbraw/zinc/57/03/14/386570314.db2.gz AGIYBSIJDNYJQR-RYUDHWBXSA-N 1 3 239.363 0.585 20 0 BCADHO CCN(C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062904261 386655764 /nfs/dbraw/zinc/65/57/64/386655764.db2.gz MRDQLRKOBNALTA-LLVKDONJSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000520269116 386635664 /nfs/dbraw/zinc/63/56/64/386635664.db2.gz BVNMDPATBBTYAA-SRVKXCTJSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000520269116 386635670 /nfs/dbraw/zinc/63/56/70/386635670.db2.gz BVNMDPATBBTYAA-SRVKXCTJSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000335506168 386636521 /nfs/dbraw/zinc/63/65/21/386636521.db2.gz WOQZZGAYYSXNNC-UWVGGRQHSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H]1CN(C(=O)C23CCCN2CCC3)C[C@@H]1[NH3+] ZINC000335511860 386646590 /nfs/dbraw/zinc/64/65/90/386646590.db2.gz AWIOJXHPSYTNSK-QWRGUYRKSA-N 1 3 237.347 0.420 20 0 BCADHO C1C[C@@H]([NH2+][C@H]2CCC[C@H]3OCC[C@H]32)CN1 ZINC000415087148 386606574 /nfs/dbraw/zinc/60/65/74/386606574.db2.gz KPBKBHPOEBEMQJ-NOOOWODRSA-N 1 3 210.321 0.896 20 0 BCADHO CC(C)(C)[C@H](O)CNC[C@]1(C)CC[NH2+]C1 ZINC000415090465 386610783 /nfs/dbraw/zinc/61/07/83/386610783.db2.gz OXOKRGSOSFFATE-ZYHUDNBSSA-N 1 3 214.353 0.983 20 0 BCADHO CCNC(=O)C(C)(C)[NH2+]C[C@H](N)CC(C)C ZINC000415091157 386611557 /nfs/dbraw/zinc/61/15/57/386611557.db2.gz BVGKBDLTUPHWIF-SNVBAGLBSA-N 1 3 229.368 0.864 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@H]1CC[NH2+]1 ZINC000335495247 386615499 /nfs/dbraw/zinc/61/54/99/386615499.db2.gz KCESELHRJYUEGN-LLVKDONJSA-N 1 3 217.272 0.590 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335520509 386659322 /nfs/dbraw/zinc/65/93/22/386659322.db2.gz FJEFBDXMHUYBQV-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000335522460 386663443 /nfs/dbraw/zinc/66/34/43/386663443.db2.gz VKLUHRZUJUCVAB-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)CNC)C1 ZINC000062972715 386667553 /nfs/dbraw/zinc/66/75/53/386667553.db2.gz ULLZJLJIAFKASU-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO C[C@]1(F)CNCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000335481938 386709956 /nfs/dbraw/zinc/70/99/56/386709956.db2.gz XYHWMNZEYHNVRM-RYUDHWBXSA-N 1 3 229.343 0.619 20 0 BCADHO [NH3+]CCOCCN1CCC[C@H](n2cccn2)C1 ZINC000357069907 386711754 /nfs/dbraw/zinc/71/17/54/386711754.db2.gz HXYSKWVNQITLBO-LBPRGKRZSA-N 1 3 238.335 0.495 20 0 BCADHO CC(C)(N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335477321 386703706 /nfs/dbraw/zinc/70/37/06/386703706.db2.gz DURYBJDIGLSNIR-UHFFFAOYSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000417786317 386719492 /nfs/dbraw/zinc/71/94/92/386719492.db2.gz QVKDUXQVPAAYFR-GMTAPVOTSA-N 1 3 225.336 0.243 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000357237185 386745015 /nfs/dbraw/zinc/74/50/15/386745015.db2.gz GLJXOUUQGGNGHB-CMPLNLGQSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H]1CCCCN1CCNC(=O)[C@H](C)C[NH3+] ZINC000357254081 386748670 /nfs/dbraw/zinc/74/86/70/386748670.db2.gz YQTHLZPKDBWYJU-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](Cn1cncn1)[NH2+]C[C@H](C)CN(C)C ZINC000425941442 386754811 /nfs/dbraw/zinc/75/48/11/386754811.db2.gz ZLNBGDCTEIINRN-NWDGAFQWSA-N 1 3 239.367 0.844 20 0 BCADHO CC[C@H](Cn1cncn1)NC[C@H](C)C[NH+](C)C ZINC000425941442 386754817 /nfs/dbraw/zinc/75/48/17/386754817.db2.gz ZLNBGDCTEIINRN-NWDGAFQWSA-N 1 3 239.367 0.844 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357302122 386755015 /nfs/dbraw/zinc/75/50/15/386755015.db2.gz PSFIRIYGJSIHLQ-XWLWVQCSSA-N 1 3 227.352 0.617 20 0 BCADHO CN1CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000335640895 386764772 /nfs/dbraw/zinc/76/47/72/386764772.db2.gz CWCCBZLDFDHLJR-LBPRGKRZSA-N 1 3 211.353 0.812 20 0 BCADHO CN1CCC(N[C@H]2CCCC[NH2+]C2)CC1 ZINC000335640895 386764774 /nfs/dbraw/zinc/76/47/74/386764774.db2.gz CWCCBZLDFDHLJR-LBPRGKRZSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357356325 386768317 /nfs/dbraw/zinc/76/83/17/386768317.db2.gz QUHYZAZYUQELPR-JTQLQIEISA-N 1 3 227.352 0.701 20 0 BCADHO CC[NH+](CC)CCO[C@@H]1CCN(CCO)C1 ZINC000340861225 386790189 /nfs/dbraw/zinc/79/01/89/386790189.db2.gz BYXSDIRJLWOYEA-GFCCVEGCSA-N 1 3 230.352 0.411 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417811262 386790267 /nfs/dbraw/zinc/79/02/67/386790267.db2.gz JJRMIORAVYCJPL-QWRGUYRKSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417831612 386793071 /nfs/dbraw/zinc/79/30/71/386793071.db2.gz HWKRLHGCGVHGSA-KATARQTJSA-N 1 3 213.325 0.308 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2C[C@H](C)N[C@@H](C)C2)C1 ZINC000417837962 386796892 /nfs/dbraw/zinc/79/68/92/386796892.db2.gz MXYONBZWVJSVEI-RHYQMDGZSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C[C@@H]1C[NH3+] ZINC000417827142 386784701 /nfs/dbraw/zinc/78/47/01/386784701.db2.gz CVAPQGDUEUNYCU-SRVKXCTJSA-N 1 3 239.363 0.572 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1NCCCC1(C)C ZINC000417809265 386787566 /nfs/dbraw/zinc/78/75/66/386787566.db2.gz GTELZMMSLCBDND-LLVKDONJSA-N 1 3 241.379 0.880 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000417845188 386799011 /nfs/dbraw/zinc/79/90/11/386799011.db2.gz XKGPZHAPRPMNGG-KKOKHZNYSA-N 1 3 239.363 0.618 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CC(F)F ZINC000336669062 386799690 /nfs/dbraw/zinc/79/96/90/386799690.db2.gz RDJXPFSIEBGVLH-QMMMGPOBSA-N 1 3 237.294 0.427 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000417841524 386800192 /nfs/dbraw/zinc/80/01/92/386800192.db2.gz XLXMFAZIWHHQSB-WYUUTHIRSA-N 1 3 239.363 0.489 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000417852290 386802481 /nfs/dbraw/zinc/80/24/81/386802481.db2.gz NYIFQBVVTPANSU-VGMNWLOBSA-N 1 3 249.305 0.473 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417846866 386804787 /nfs/dbraw/zinc/80/47/87/386804787.db2.gz UGALMNPSQHWPQC-SRVKXCTJSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@H]1C[C@H](NC(=O)NCCC[NH3+])CN1C1CC1 ZINC000417859697 386805085 /nfs/dbraw/zinc/80/50/85/386805085.db2.gz SKEBKSSPYCZGOR-UWVGGRQHSA-N 1 3 240.351 0.260 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417847476 386806236 /nfs/dbraw/zinc/80/62/36/386806236.db2.gz USVXTRRCUVQZMD-YUMQZZPRSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H](NC(=O)[C@H]1NCCCC1(C)C)[C@H](C)[NH3+] ZINC000417859255 386806335 /nfs/dbraw/zinc/80/63/35/386806335.db2.gz VXPASFQRDMKGIO-IVZWLZJFSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]1[C@H](NC(=O)N2CC[C@H]([NH3+])C2)CCCN1C ZINC000417993827 386809464 /nfs/dbraw/zinc/80/94/64/386809464.db2.gz BBMYQEVVBLNDOX-GARJFASQSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)CCCN1C ZINC000417993830 386809944 /nfs/dbraw/zinc/80/99/44/386809944.db2.gz BBMYQEVVBLNDOX-MXWKQRLJSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@H]1[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)CCCN1C ZINC000417993826 386810580 /nfs/dbraw/zinc/81/05/80/386810580.db2.gz BBMYQEVVBLNDOX-DCAQKATOSA-N 1 3 240.351 0.212 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000366554729 386832223 /nfs/dbraw/zinc/83/22/23/386832223.db2.gz KVHSDMZGRGLWEH-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC[NH+]1CCCC1 ZINC000395073608 386846138 /nfs/dbraw/zinc/84/61/38/386846138.db2.gz NISRXYYQKZQVSK-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1[C@@H](NC(=O)NCCC[NH3+])CCCN1C ZINC000418004222 386847350 /nfs/dbraw/zinc/84/73/50/386847350.db2.gz NXLOJYNCPFRLIR-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000331375800 386848199 /nfs/dbraw/zinc/84/81/99/386848199.db2.gz HXJNDXMKZFHGTK-HBNTYKKESA-N 1 3 240.351 0.069 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000331375799 386848424 /nfs/dbraw/zinc/84/84/24/386848424.db2.gz HXJNDXMKZFHGTK-GARJFASQSA-N 1 3 240.351 0.069 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000293636935 386850821 /nfs/dbraw/zinc/85/08/21/386850821.db2.gz DCLBTXGFDVCAKC-SECBINFHSA-N 1 3 238.335 0.575 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH3+])CCCN1C ZINC000418010797 386892167 /nfs/dbraw/zinc/89/21/67/386892167.db2.gz WEACIKKTWJJNHL-ZJUUUORDSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H](CNC(=O)C1CCN(C)CC1)C[NH+](C)C ZINC000341285422 386877366 /nfs/dbraw/zinc/87/73/66/386877366.db2.gz YFMICWSAWOSJPN-LLVKDONJSA-N 1 3 241.379 0.642 20 0 BCADHO C[NH2+]CCCNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418009987 386884959 /nfs/dbraw/zinc/88/49/59/386884959.db2.gz VDWDIVQXIIPOAZ-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418011571 386898850 /nfs/dbraw/zinc/89/88/50/386898850.db2.gz XADZEOQSPWNBHA-MMWGEVLESA-N 1 3 242.367 0.504 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418011574 386899883 /nfs/dbraw/zinc/89/98/83/386899883.db2.gz XADZEOQSPWNBHA-XWLWVQCSSA-N 1 3 242.367 0.504 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418012775 386907301 /nfs/dbraw/zinc/90/73/01/386907301.db2.gz YKNSVOBQXYXWLB-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO NC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000358319270 386933185 /nfs/dbraw/zinc/93/31/85/386933185.db2.gz GGYQARVLLNHTLY-LBPRGKRZSA-N 1 3 248.330 0.833 20 0 BCADHO NC[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000358319270 386933189 /nfs/dbraw/zinc/93/31/89/386933189.db2.gz GGYQARVLLNHTLY-LBPRGKRZSA-N 1 3 248.330 0.833 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368088900 386939254 /nfs/dbraw/zinc/93/92/54/386939254.db2.gz GQHVVPSWWVCJHG-SRVKXCTJSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000332163859 386963063 /nfs/dbraw/zinc/96/30/63/386963063.db2.gz RPBOLKMHRFIDTL-OUAUKWLOSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000332180689 386966310 /nfs/dbraw/zinc/96/63/10/386966310.db2.gz OOTSNDGNANYIII-IQJOONFLSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1NCCN(C(=O)N[C@H](C[NH3+])C2CC2)[C@H]1C ZINC000332180687 386966657 /nfs/dbraw/zinc/96/66/57/386966657.db2.gz OOTSNDGNANYIII-ATZCPNFKSA-N 1 3 240.351 0.116 20 0 BCADHO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2N)CCCCC1 ZINC000332177806 386967071 /nfs/dbraw/zinc/96/70/71/386967071.db2.gz VSYDTKOKZVDKHA-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368388160 386970004 /nfs/dbraw/zinc/97/00/04/386970004.db2.gz PLJOUUNFVCMIHV-TUAOUCFPSA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)[C@H](C(=O)NCC[N@H+](C)C1CC1)N(C)C ZINC000358563600 386979987 /nfs/dbraw/zinc/97/99/87/386979987.db2.gz IKILNJKSSPECNH-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)C1CC1)N(C)C ZINC000358563600 386979993 /nfs/dbraw/zinc/97/99/93/386979993.db2.gz IKILNJKSSPECNH-GFCCVEGCSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@H](CN[C@H](C)CC(N)=O)[NH+]1CCCC1 ZINC000341899341 386998841 /nfs/dbraw/zinc/99/88/41/386998841.db2.gz OFDFJQDNFWHGJJ-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368683662 387002735 /nfs/dbraw/zinc/00/27/35/387002735.db2.gz QNOMGSFLBSWNAK-NWDGAFQWSA-N 1 3 239.363 0.300 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCC1([NH3+])CCC1 ZINC000334932382 387008880 /nfs/dbraw/zinc/00/88/80/387008880.db2.gz QFXZESJCTOXSSF-VHSXEESVSA-N 1 3 240.351 0.260 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN2CCC1CC2 ZINC000334954796 387032992 /nfs/dbraw/zinc/03/29/92/387032992.db2.gz XLBRMEFMWMXXIC-JTQLQIEISA-N 1 3 240.351 0.213 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C)CC[C@H]1C ZINC000334955431 387034597 /nfs/dbraw/zinc/03/45/97/387034597.db2.gz HKKKUMSLGKGDEF-GHMZBOCLSA-N 1 3 242.367 0.317 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)C1CCC1)[N@H+](C)C1CC1 ZINC000398996792 387036901 /nfs/dbraw/zinc/03/69/01/387036901.db2.gz PXYWFGSBMVYGOP-JOYOIKCWSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)C1CCC1)[N@@H+](C)C1CC1 ZINC000398996792 387036906 /nfs/dbraw/zinc/03/69/06/387036906.db2.gz PXYWFGSBMVYGOP-JOYOIKCWSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)C1CCC1)[N@H+](C)C1CC1 ZINC000398996790 387037660 /nfs/dbraw/zinc/03/76/60/387037660.db2.gz PXYWFGSBMVYGOP-BXKDBHETSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)C1CCC1)[N@@H+](C)C1CC1 ZINC000398996790 387037664 /nfs/dbraw/zinc/03/76/64/387037664.db2.gz PXYWFGSBMVYGOP-BXKDBHETSA-N 1 3 239.363 0.713 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399005909 387037961 /nfs/dbraw/zinc/03/79/61/387037961.db2.gz YBHJFGPEEJUSSM-GXSJLCMTSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)[C@H](N)C2CCC2)C1 ZINC000399005909 387037965 /nfs/dbraw/zinc/03/79/65/387037965.db2.gz YBHJFGPEEJUSSM-GXSJLCMTSA-N 1 3 225.336 0.182 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@@H](N)C2CCC2)CC1 ZINC000399026397 387040888 /nfs/dbraw/zinc/04/08/88/387040888.db2.gz HMAVHHLMRKFEQC-LBPRGKRZSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CC)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000070074083 387043535 /nfs/dbraw/zinc/04/35/35/387043535.db2.gz YMFDTEFPNHWBKD-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@H]1C(=O)NCCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000334966029 387047275 /nfs/dbraw/zinc/04/72/75/387047275.db2.gz DSLIGZNQKVIETM-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000333668328 387047543 /nfs/dbraw/zinc/04/75/43/387047543.db2.gz MRBATDPEVOPWOL-OUAUKWLOSA-N 1 3 240.351 0.130 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)C[N@H+](C)C(C)C ZINC000359214407 387067128 /nfs/dbraw/zinc/06/71/28/387067128.db2.gz DMNNINOHHDTPDB-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)C[N@@H+](C)C(C)C ZINC000359214407 387067132 /nfs/dbraw/zinc/06/71/32/387067132.db2.gz DMNNINOHHDTPDB-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000399079623 387055361 /nfs/dbraw/zinc/05/53/61/387055361.db2.gz RGBJSPIUJZSCNR-RYUDHWBXSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333810379 387056412 /nfs/dbraw/zinc/05/64/12/387056412.db2.gz JDQJEGYGZHZDOA-HBNTYKKESA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000228005469 387060248 /nfs/dbraw/zinc/06/02/48/387060248.db2.gz RKTASHQZCMEGAF-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CCN(CCNC(=O)[C@H](C[NH3+])C(C)C)C1CC1 ZINC000228005551 387060812 /nfs/dbraw/zinc/06/08/12/387060812.db2.gz ZBRUFVQGOSWMBF-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](N)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374421 387062226 /nfs/dbraw/zinc/06/22/26/387062226.db2.gz WZSMDKQXBGEOCN-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCCNCC1 ZINC000334939738 387015876 /nfs/dbraw/zinc/01/58/76/387015876.db2.gz FFYFLNDCGPKFJP-QWRGUYRKSA-N 1 3 240.351 0.119 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)C[N@H+](C)CCC ZINC000359220344 387070849 /nfs/dbraw/zinc/07/08/49/387070849.db2.gz QDNQIPWCFUWNCC-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)C[N@@H+](C)CCC ZINC000359220344 387070853 /nfs/dbraw/zinc/07/08/53/387070853.db2.gz QDNQIPWCFUWNCC-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO COCCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766335 387071612 /nfs/dbraw/zinc/07/16/12/387071612.db2.gz MNSXCAKJBUWYJG-CYBMUJFWSA-N 1 3 244.379 0.802 20 0 BCADHO CCN(CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000417427478 387090279 /nfs/dbraw/zinc/09/02/79/387090279.db2.gz JCUVMXKRIYZZJO-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CN(C)C ZINC000352341315 387092284 /nfs/dbraw/zinc/09/22/84/387092284.db2.gz WYUQLFQIESEZCJ-MNOVXSKESA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000370158361 387095828 /nfs/dbraw/zinc/09/58/28/387095828.db2.gz FMCHKZOETMXOMY-AXFHLTTASA-N 1 3 225.336 0.180 20 0 BCADHO C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000370223705 387097870 /nfs/dbraw/zinc/09/78/70/387097870.db2.gz VBPXMQFOJBOVCT-ZMLRMANQSA-N 1 3 233.315 0.287 20 0 BCADHO CCN1CCCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000334946375 387108798 /nfs/dbraw/zinc/10/87/98/387108798.db2.gz WUNYXDADIJLCRZ-NSHDSACASA-N 1 3 240.351 0.086 20 0 BCADHO C[NH+](C)Cc1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000353086998 387114587 /nfs/dbraw/zinc/11/45/87/387114587.db2.gz LUCVJDDDTQEDOH-UHFFFAOYSA-N 1 3 247.342 0.856 20 0 BCADHO C[C@@]1(F)CNCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647981637 387114761 /nfs/dbraw/zinc/11/47/61/387114761.db2.gz CNFXEHLIYQTQOS-GHMZBOCLSA-N 1 3 215.316 0.229 20 0 BCADHO C[NH+](C)C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000119597347 387143000 /nfs/dbraw/zinc/14/30/00/387143000.db2.gz ZSPBXAFYDWOZQI-GFCCVEGCSA-N 1 3 243.326 0.241 20 0 BCADHO C1CC1[C@@H](N[C@H]1CCC[NH2+]C1)[C@H]1CNCCO1 ZINC000423308449 387144192 /nfs/dbraw/zinc/14/41/92/387144192.db2.gz XZGRVBPTJHVQJQ-YNEHKIRRSA-N 1 3 239.363 0.095 20 0 BCADHO COC[C@@H](NC[C@@H]([NH3+])C1CC1)C(C)C ZINC000423330841 387175555 /nfs/dbraw/zinc/17/55/55/387175555.db2.gz UHJMHMIQMJZRDH-GHMZBOCLSA-N 1 3 200.326 0.984 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261913 387184465 /nfs/dbraw/zinc/18/44/65/387184465.db2.gz FNTMVNVSWPHLPU-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000371261913 387184467 /nfs/dbraw/zinc/18/44/67/387184467.db2.gz FNTMVNVSWPHLPU-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)N1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000229725686 387193951 /nfs/dbraw/zinc/19/39/51/387193951.db2.gz ODHYGMAEVONLSZ-GFCCVEGCSA-N 1 3 239.363 0.680 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000423338974 387187948 /nfs/dbraw/zinc/18/79/48/387187948.db2.gz BGHWNTDNCVIELS-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942812 387188193 /nfs/dbraw/zinc/18/81/93/387188193.db2.gz YTHSOZORAFRGBW-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000062942812 387188197 /nfs/dbraw/zinc/18/81/97/387188197.db2.gz YTHSOZORAFRGBW-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972907 387188753 /nfs/dbraw/zinc/18/87/53/387188753.db2.gz WTKALDNDVBOZDB-UWVGGRQHSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973197 387189018 /nfs/dbraw/zinc/18/90/18/387189018.db2.gz GIZJKDOPRBUTCK-WDEREUQCSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C(N)C(F)(F)F ZINC000353447011 387204963 /nfs/dbraw/zinc/20/49/63/387204963.db2.gz KTVKRJOOLLTZCR-RNFRBKRXSA-N 1 3 241.257 0.332 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCCC1 ZINC000353463685 387208119 /nfs/dbraw/zinc/20/81/19/387208119.db2.gz WIJGZIMQAHBHHQ-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1C[C@@H](C)[C@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423361225 387212185 /nfs/dbraw/zinc/21/21/85/387212185.db2.gz RIFYWLYSTIMCIR-IJLUTSLNSA-N 1 3 211.353 0.668 20 0 BCADHO COC[C@H]([NH2+]C[C@@]1(COC)CCCN1)C1CC1 ZINC000423426669 387252796 /nfs/dbraw/zinc/25/27/96/387252796.db2.gz NHBXVZFXCKLBOG-QWHCGFSZSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CN1C1CC1 ZINC000423425024 387252817 /nfs/dbraw/zinc/25/28/17/387252817.db2.gz GIMQLTKHBLGZIO-DTPMLBFTSA-N 1 3 221.348 0.419 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)CN(C)C ZINC000418204724 387220019 /nfs/dbraw/zinc/22/00/19/387220019.db2.gz MDHUKSIFXUHBRS-UWVGGRQHSA-N 1 3 230.356 0.219 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H](C)CN(C)C ZINC000418209548 387221757 /nfs/dbraw/zinc/22/17/57/387221757.db2.gz RNAMPPOJZLQHMM-ZJUUUORDSA-N 1 3 230.356 0.091 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000423404792 387239528 /nfs/dbraw/zinc/23/95/28/387239528.db2.gz XRSVRECOZNKURN-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000423404792 387239531 /nfs/dbraw/zinc/23/95/31/387239531.db2.gz XRSVRECOZNKURN-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406598 387242744 /nfs/dbraw/zinc/24/27/44/387242744.db2.gz UWSRNFDRNCLUCI-WISYIIOYSA-N 1 3 211.353 0.524 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000571893820 387194604 /nfs/dbraw/zinc/19/46/04/387194604.db2.gz FBNBFCMPIXWHRQ-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000571893820 387194609 /nfs/dbraw/zinc/19/46/09/387194609.db2.gz FBNBFCMPIXWHRQ-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@H]2CC[NH2+]C2)C1 ZINC000423348142 387196500 /nfs/dbraw/zinc/19/65/00/387196500.db2.gz SSVZHTLTYZSHCT-SDDRHHMPSA-N 1 3 211.353 0.526 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000423349204 387201183 /nfs/dbraw/zinc/20/11/83/387201183.db2.gz WCHBVIBMBZWDKL-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423465546 387313163 /nfs/dbraw/zinc/31/31/63/387313163.db2.gz WOOCNPLQHLSWDK-CMPLNLGQSA-N 1 3 241.379 0.995 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](F)CN1 ZINC000188186867 387257190 /nfs/dbraw/zinc/25/71/90/387257190.db2.gz PZAGXJSBVHYKOH-GARJFASQSA-N 1 3 245.342 0.518 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1C[C@H](F)CN1 ZINC000188185512 387257264 /nfs/dbraw/zinc/25/72/64/387257264.db2.gz IOWHHWBGARRVHZ-OUAUKWLOSA-N 1 3 243.326 0.192 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336432899 387258683 /nfs/dbraw/zinc/25/86/83/387258683.db2.gz PNWQTRADPKNUHF-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378699 387260881 /nfs/dbraw/zinc/26/08/81/387260881.db2.gz MQOIIVXBHODTLL-DDHJBXDOSA-N 1 3 211.353 0.667 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000372099016 387272949 /nfs/dbraw/zinc/27/29/49/387272949.db2.gz PZTXZLKKSMIIAH-ZYHUDNBSSA-N 1 3 243.326 0.241 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000372119026 387274249 /nfs/dbraw/zinc/27/42/49/387274249.db2.gz UFAJKKKWVWSGSJ-NEPJUHHUSA-N 1 3 245.342 0.568 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514732456 387282515 /nfs/dbraw/zinc/28/25/15/387282515.db2.gz IWSUGQBQVVRXMS-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000514738876 387285103 /nfs/dbraw/zinc/28/51/03/387285103.db2.gz MGRSLMMYRRSJRS-VHSXEESVSA-N 1 3 229.368 0.687 20 0 BCADHO C[NH2+]Cc1cccc(NC(=O)[C@H](CN)OC)c1 ZINC000514788638 387285583 /nfs/dbraw/zinc/28/55/83/387285583.db2.gz WJCCAGDLOKBUSA-NSHDSACASA-N 1 3 237.303 0.318 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000423438557 387288748 /nfs/dbraw/zinc/28/87/48/387288748.db2.gz VAUPXQNCFWQKOJ-ZDEQEGDKSA-N 1 3 242.363 0.362 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNC[C@H]1O ZINC000423438557 387288751 /nfs/dbraw/zinc/28/87/51/387288751.db2.gz VAUPXQNCFWQKOJ-ZDEQEGDKSA-N 1 3 242.363 0.362 20 0 BCADHO [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1 ZINC000372426075 387300536 /nfs/dbraw/zinc/30/05/36/387300536.db2.gz LDILGYWTRVJOLG-YFKTTZPYSA-N 1 3 237.347 0.609 20 0 BCADHO CCC[C@@H](C(=O)NC[C@H](C)C[NH3+])N(C)C ZINC000423453796 387301137 /nfs/dbraw/zinc/30/11/37/387301137.db2.gz KWOAHRUXZSEDAY-ZJUUUORDSA-N 1 3 215.341 0.428 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H](C)C[NH3+])N(C)C ZINC000423453794 387302315 /nfs/dbraw/zinc/30/23/15/387302315.db2.gz KWOAHRUXZSEDAY-UWVGGRQHSA-N 1 3 215.341 0.428 20 0 BCADHO CCC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C ZINC000423461559 387308139 /nfs/dbraw/zinc/30/81/39/387308139.db2.gz JUJYSIKNFQHDEM-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121502 387309220 /nfs/dbraw/zinc/30/92/20/387309220.db2.gz QRJJCFZQUKROLS-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000643502090 387357046 /nfs/dbraw/zinc/35/70/46/387357046.db2.gz XFFOKQRVZSBIKP-WOPDTQHZSA-N 1 3 211.353 0.668 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000423592426 387384459 /nfs/dbraw/zinc/38/44/59/387384459.db2.gz KPXRSGSWQOWPPL-GRYCIOLGSA-N 1 3 241.379 0.831 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000423548281 387369639 /nfs/dbraw/zinc/36/96/39/387369639.db2.gz MKXHQXKGAVAWHX-SDDRHHMPSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@H]1CCCC[NH2+]C1 ZINC000423553606 387371869 /nfs/dbraw/zinc/37/18/69/387371869.db2.gz KNVFCNGXGWRXET-FRRDWIJNSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCCCNC1 ZINC000423553606 387371875 /nfs/dbraw/zinc/37/18/75/387371875.db2.gz KNVFCNGXGWRXET-FRRDWIJNSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+]CCCNC1CC1 ZINC000423554194 387372154 /nfs/dbraw/zinc/37/21/54/387372154.db2.gz LKRNSWLWSGEORK-DGCLKSJQSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CNCCC1(F)F ZINC000423471386 387319350 /nfs/dbraw/zinc/31/93/50/387319350.db2.gz FDHWDAYJUPNAIK-OPRDCNLKSA-N 1 3 233.306 0.571 20 0 BCADHO CC[C@H](N)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423479936 387326495 /nfs/dbraw/zinc/32/64/95/387326495.db2.gz VQCVKAFCXLSNMC-SCVCMEIPSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CNCCC1(F)F ZINC000423491725 387335965 /nfs/dbraw/zinc/33/59/65/387335965.db2.gz ZQUIJEAQTKVJKX-MXWKQRLJSA-N 1 3 247.333 0.961 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373044962 387342380 /nfs/dbraw/zinc/34/23/80/387342380.db2.gz WKMULWYUMIRXKP-MDZLAQPJSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373042525 387342984 /nfs/dbraw/zinc/34/29/84/387342984.db2.gz MDRZXZPVXJMOHF-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](NC[C@@H]1CNCCN1C)[C@H]1CCCC[NH2+]1 ZINC000423507086 387345081 /nfs/dbraw/zinc/34/50/81/387345081.db2.gz HPJYHWYXOZNWIF-FRRDWIJNSA-N 1 3 240.395 0.010 20 0 BCADHO CCC[C@H](C(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000423509458 387345171 /nfs/dbraw/zinc/34/51/71/387345171.db2.gz JTALLJGODCXGMZ-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423845212 387433675 /nfs/dbraw/zinc/43/36/75/387433675.db2.gz KDAPGKCKIJEDCF-LLVKDONJSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H](C(=O)N(C)CCN(C)C1CC1)[C@H](C)[NH3+] ZINC000423844578 387434878 /nfs/dbraw/zinc/43/48/78/387434878.db2.gz JDQPQCHMQXOTHW-ZJUUUORDSA-N 1 3 227.352 0.522 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000423845655 387435071 /nfs/dbraw/zinc/43/50/71/387435071.db2.gz KNTLADRVHUEUBZ-CYBMUJFWSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N(CC)CC ZINC000423939301 387455054 /nfs/dbraw/zinc/45/50/54/387455054.db2.gz AGWXQTLENBGDOZ-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423940770 387455507 /nfs/dbraw/zinc/45/55/07/387455507.db2.gz BCXJWRPULYRHFB-NSHDSACASA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1CN(C(=O)CN2[C@H](C)CC[C@H]2C)C[C@H]1[NH3+] ZINC000423953951 387457523 /nfs/dbraw/zinc/45/75/23/387457523.db2.gz BOTMFMDABYTRBP-DDHJBXDOSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@@H]1CN(C(=O)CN2[C@H](C)CC[C@@H]2C)C[C@H]1[NH3+] ZINC000423953953 387457839 /nfs/dbraw/zinc/45/78/39/387457839.db2.gz BOTMFMDABYTRBP-WISYIIOYSA-N 1 3 239.363 0.665 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000423620295 387387532 /nfs/dbraw/zinc/38/75/32/387387532.db2.gz JHMVWJMCGASVHC-QJPTWQEYSA-N 1 3 241.379 0.973 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423657232 387391969 /nfs/dbraw/zinc/39/19/69/387391969.db2.gz YJOOPUCGRFTBGK-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423640254 387392006 /nfs/dbraw/zinc/39/20/06/387392006.db2.gz GLMRBGOWCOBXRW-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000423971789 387460042 /nfs/dbraw/zinc/46/00/42/387460042.db2.gz HKBNZTWGCVWLFK-DCAQKATOSA-N 1 3 227.352 0.378 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000423704250 387400913 /nfs/dbraw/zinc/40/09/13/387400913.db2.gz DJFFJTLDGKCYAN-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)N(C)C ZINC000423971799 387460508 /nfs/dbraw/zinc/46/05/08/387460508.db2.gz HKBNZTWGCVWLFK-VWYCJHECSA-N 1 3 227.352 0.378 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000423740687 387404481 /nfs/dbraw/zinc/40/44/81/387404481.db2.gz JESZPWSFXPSACW-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)N ZINC000423752407 387409960 /nfs/dbraw/zinc/40/99/60/387409960.db2.gz APILGYWGGNMPBS-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)N ZINC000423752407 387409963 /nfs/dbraw/zinc/40/99/63/387409963.db2.gz APILGYWGGNMPBS-VHSXEESVSA-N 1 3 215.341 0.570 20 0 BCADHO CCN(CC)CC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375244734 387518432 /nfs/dbraw/zinc/51/84/32/387518432.db2.gz IAHLMFZSVPIHMJ-ZSBIGDGJSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)CCOCCN1CCC(O)(C[NH3+])CC1 ZINC000396990087 387529213 /nfs/dbraw/zinc/52/92/13/387529213.db2.gz BMUZRWLUJXQMJJ-UHFFFAOYSA-N 1 3 244.379 0.835 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]C ZINC000424016063 387466812 /nfs/dbraw/zinc/46/68/12/387466812.db2.gz BBOGDXFGXBTXEF-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424042246 387468038 /nfs/dbraw/zinc/46/80/38/387468038.db2.gz BENJZGIBOCBDJY-GMTAPVOTSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000516183017 387468640 /nfs/dbraw/zinc/46/86/40/387468640.db2.gz DXEVEOAMMUCWCN-IVZWLZJFSA-N 1 3 213.325 0.371 20 0 BCADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](C)CC1 ZINC000114072916 387470585 /nfs/dbraw/zinc/47/05/85/387470585.db2.gz CURNRDSNYPDDFM-LBPRGKRZSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](CC(N)=O)NCC1(C[NH+](C)C)CCCC1 ZINC000355059505 387471621 /nfs/dbraw/zinc/47/16/21/387471621.db2.gz MSGLJSYWKYJUJL-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1C[C@@H](NCC[NH2+]C2CC2)CN1C1CC1 ZINC000643507032 387475510 /nfs/dbraw/zinc/47/55/10/387475510.db2.gz QHDRALUKWTWPNE-CMPLNLGQSA-N 1 3 223.364 0.953 20 0 BCADHO N[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424079673 387480104 /nfs/dbraw/zinc/48/01/04/387480104.db2.gz RMQKWTMUFPLOAW-OUAUKWLOSA-N 1 3 219.288 0.150 20 0 BCADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000362182204 387582859 /nfs/dbraw/zinc/58/28/59/387582859.db2.gz BZJZNMKJNIJSRW-FRRDWIJNSA-N 1 3 244.379 0.798 20 0 BCADHO CCOC[C@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362182204 387582863 /nfs/dbraw/zinc/58/28/63/387582863.db2.gz BZJZNMKJNIJSRW-FRRDWIJNSA-N 1 3 244.379 0.798 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000040831328 387584439 /nfs/dbraw/zinc/58/44/39/387584439.db2.gz XGRXEPLRDKFOKA-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@@H]1CCCCN1 ZINC000041679542 387606294 /nfs/dbraw/zinc/60/62/94/387606294.db2.gz LISGLRYVXZIVSX-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NC)C1 ZINC000362398557 387607393 /nfs/dbraw/zinc/60/73/93/387607393.db2.gz UFMHVZNZUJQTQB-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NC)C1 ZINC000362398557 387607394 /nfs/dbraw/zinc/60/73/94/387607394.db2.gz UFMHVZNZUJQTQB-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CN(CCN[C@@H]1CCC[C@H]1[NH3+])CC(F)(F)F ZINC000422702245 387618146 /nfs/dbraw/zinc/61/81/46/387618146.db2.gz DPVPSBKRJROYRX-RKDXNWHRSA-N 1 3 239.285 0.950 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCCCN1 ZINC000422708557 387622834 /nfs/dbraw/zinc/62/28/34/387622834.db2.gz JDQQBVMYAYVZEV-UTUOFQBUSA-N 1 3 228.336 0.522 20 0 BCADHO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1N ZINC000422712261 387626381 /nfs/dbraw/zinc/62/63/81/387626381.db2.gz NUDKDOZLQUYEDE-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422712261 387626385 /nfs/dbraw/zinc/62/63/85/387626385.db2.gz NUDKDOZLQUYEDE-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO CC[N@H+](CCO)CC[C@@H]1CCCN1C ZINC000305685277 387627437 /nfs/dbraw/zinc/62/74/37/387627437.db2.gz PPVPSPXXXKCQDL-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO CC[N@@H+](CCO)CC[C@@H]1CCCN1C ZINC000305685277 387627442 /nfs/dbraw/zinc/62/74/42/387627442.db2.gz PPVPSPXXXKCQDL-NSHDSACASA-N 1 3 200.326 0.785 20 0 BCADHO C[C@@](C[NH3+])(NCCCN1CCOCC1)C1CC1 ZINC000430583137 387630573 /nfs/dbraw/zinc/63/05/73/387630573.db2.gz MEUAINKKWDURFJ-ZDUSSCGKSA-N 1 3 241.379 0.426 20 0 BCADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422720908 387633222 /nfs/dbraw/zinc/63/32/22/387633222.db2.gz UDJWUTTYZBVBLL-FRRDWIJNSA-N 1 3 241.379 0.424 20 0 BCADHO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422720908 387633229 /nfs/dbraw/zinc/63/32/29/387633229.db2.gz UDJWUTTYZBVBLL-FRRDWIJNSA-N 1 3 241.379 0.424 20 0 BCADHO CCCCN(CCC1CC[NH2+]CC1)CC(N)=O ZINC000042691492 387633879 /nfs/dbraw/zinc/63/38/79/387633879.db2.gz FZVWIVFOJORUFR-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCCN1CCOCC1 ZINC000422735624 387643398 /nfs/dbraw/zinc/64/33/98/387643398.db2.gz WJKBNCBPLXCSDR-OLZOCXBDSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000430742264 387647445 /nfs/dbraw/zinc/64/74/45/387647445.db2.gz LESPMRXLXYXVSP-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000430742264 387647450 /nfs/dbraw/zinc/64/74/50/387647450.db2.gz LESPMRXLXYXVSP-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000430772643 387649702 /nfs/dbraw/zinc/64/97/02/387649702.db2.gz CIDZKZSKHQOCIU-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)N(C)C ZINC000422746815 387650548 /nfs/dbraw/zinc/65/05/48/387650548.db2.gz OIVWZNUIRXRZAR-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356394254 387653129 /nfs/dbraw/zinc/65/31/29/387653129.db2.gz SLHXBBZLYOCEQQ-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCC[C@H](C(=O)NCC[NH2+]CC)N(C)C ZINC000422788726 387655736 /nfs/dbraw/zinc/65/57/36/387655736.db2.gz RHCQPOAIEBVQHY-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CNCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000430893652 387658989 /nfs/dbraw/zinc/65/89/89/387658989.db2.gz JWHOXBOTPWUPJD-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCC(C)(C)N1CCOCC1 ZINC000422765960 387664924 /nfs/dbraw/zinc/66/49/24/387664924.db2.gz WOHOQZPSOXIIKS-RYUDHWBXSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765960 387664926 /nfs/dbraw/zinc/66/49/26/387664926.db2.gz WOHOQZPSOXIIKS-RYUDHWBXSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000431025369 387669984 /nfs/dbraw/zinc/66/99/84/387669984.db2.gz YZKCFKPIIMPVKR-FOGDFJRCSA-N 1 3 237.347 0.195 20 0 BCADHO CC(C)[C@H](O)CCN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422775877 387672969 /nfs/dbraw/zinc/67/29/69/387672969.db2.gz BPRQMRBBPXOSKF-SDDRHHMPSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424138563 387673131 /nfs/dbraw/zinc/67/31/31/387673131.db2.gz DGCJQGRONRICKW-MMWGEVLESA-N 1 3 225.336 0.275 20 0 BCADHO CN(C)CCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422743141 387688822 /nfs/dbraw/zinc/68/88/22/387688822.db2.gz HZRHXBWSIYJMEF-QWHCGFSZSA-N 1 3 241.379 0.295 20 0 BCADHO CCN(CC)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422744801 387693817 /nfs/dbraw/zinc/69/38/17/387693817.db2.gz KVRGBBLGFMLRSB-NEPJUHHUSA-N 1 3 213.369 0.916 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377749615 387745581 /nfs/dbraw/zinc/74/55/81/387745581.db2.gz WNAIHSWHWKSMEN-AXFHLTTASA-N 1 3 225.336 0.182 20 0 BCADHO CC[C@H](CCO)CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422871469 387748558 /nfs/dbraw/zinc/74/85/58/387748558.db2.gz YZPFMBUKCOGNLH-QJPTWQEYSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377810641 387749482 /nfs/dbraw/zinc/74/94/82/387749482.db2.gz CPXXBLVDOCFUPG-AXFHLTTASA-N 1 3 225.336 0.038 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377810644 387750154 /nfs/dbraw/zinc/75/01/54/387750154.db2.gz CPXXBLVDOCFUPG-VWYCJHECSA-N 1 3 225.336 0.038 20 0 BCADHO CCN(CC[NH2+][C@H]1CCC[C@H]1N)C1CC1 ZINC000422875910 387752915 /nfs/dbraw/zinc/75/29/15/387752915.db2.gz DKYISKXJWZSAJT-NEPJUHHUSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1C[C@H](C)CCN1 ZINC000127022405 387704398 /nfs/dbraw/zinc/70/43/98/387704398.db2.gz HKVUWSRFEIZSCX-GRYCIOLGSA-N 1 3 241.379 0.831 20 0 BCADHO CC1(C(=O)NC[C@H](N)c2ccccc2)C[NH2+]C1 ZINC000422808039 387706331 /nfs/dbraw/zinc/70/63/31/387706331.db2.gz PWHATHKDDNCUJP-NSHDSACASA-N 1 3 233.315 0.412 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000629613831 387713189 /nfs/dbraw/zinc/71/31/89/387713189.db2.gz UBBVGHIJGSEMAL-OUAUKWLOSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000629613829 387713212 /nfs/dbraw/zinc/71/32/12/387713212.db2.gz UBBVGHIJGSEMAL-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO CN(C/C=C\C[N@H+](C)CCCO)CCCO ZINC000440955774 387717798 /nfs/dbraw/zinc/71/77/98/387717798.db2.gz YECRMHMVODMPJQ-ARJAWSKDSA-N 1 3 230.352 0.171 20 0 BCADHO CN(C/C=C\C[N@@H+](C)CCCO)CCCO ZINC000440955774 387717802 /nfs/dbraw/zinc/71/78/02/387717802.db2.gz YECRMHMVODMPJQ-ARJAWSKDSA-N 1 3 230.352 0.171 20 0 BCADHO CCC[C@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000422820379 387718027 /nfs/dbraw/zinc/71/80/27/387718027.db2.gz QGTOLAODEUSQAR-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO CN(C)[C@]1(C[NH2+][C@H]2CCC[C@@H]2N)CCSC1 ZINC000422828083 387722725 /nfs/dbraw/zinc/72/27/25/387722725.db2.gz SSDFZLGQSLSLBZ-SRVKXCTJSA-N 1 3 243.420 0.893 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)N(C)C ZINC000157074919 387726897 /nfs/dbraw/zinc/72/68/97/387726897.db2.gz PQEHNSGYEGYAFQ-GHMZBOCLSA-N 1 3 229.368 0.672 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000128063941 387733840 /nfs/dbraw/zinc/73/38/40/387733840.db2.gz XZMRGPZWUMIJBC-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000128063941 387733846 /nfs/dbraw/zinc/73/38/46/387733846.db2.gz XZMRGPZWUMIJBC-JHJVBQTASA-N 1 3 241.379 0.389 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424142532 387734898 /nfs/dbraw/zinc/73/48/98/387734898.db2.gz YKHXNEBCUBMROU-ZRUFSTJUSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424142532 387734902 /nfs/dbraw/zinc/73/49/02/387734902.db2.gz YKHXNEBCUBMROU-ZRUFSTJUSA-N 1 3 223.320 0.077 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCc1ccc2c(c1)CNC2 ZINC000367648386 387738296 /nfs/dbraw/zinc/73/82/96/387738296.db2.gz HVZRLRIFELEIFD-VIFPVBQESA-N 1 3 233.315 0.501 20 0 BCADHO CO[C@H](C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422908129 387768510 /nfs/dbraw/zinc/76/85/10/387768510.db2.gz YEZOYEGRLXVDIG-MXWKQRLJSA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)CCN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422908127 387769386 /nfs/dbraw/zinc/76/93/86/387769386.db2.gz YEZOYEGRLXVDIG-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422912880 387771747 /nfs/dbraw/zinc/77/17/47/387771747.db2.gz XFUKMAGYOADBTD-OLZOCXBDSA-N 1 3 243.395 0.814 20 0 BCADHO COCCN(C)CCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000422912880 387771750 /nfs/dbraw/zinc/77/17/50/387771750.db2.gz XFUKMAGYOADBTD-OLZOCXBDSA-N 1 3 243.395 0.814 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422912879 387772108 /nfs/dbraw/zinc/77/21/08/387772108.db2.gz XFUKMAGYOADBTD-CHWSQXEVSA-N 1 3 243.395 0.814 20 0 BCADHO COCCN(C)CCN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000422912879 387772110 /nfs/dbraw/zinc/77/21/10/387772110.db2.gz XFUKMAGYOADBTD-CHWSQXEVSA-N 1 3 243.395 0.814 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000422925212 387779552 /nfs/dbraw/zinc/77/95/52/387779552.db2.gz ZWQMWYRUUKJMJO-NGDQXYMTSA-N 1 3 239.363 0.711 20 0 BCADHO C[C@H]1CCN(CC(=O)NCCC[NH+](C)C)C1 ZINC000564049965 387812447 /nfs/dbraw/zinc/81/24/47/387812447.db2.gz VSZQAJWBWPZACB-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC(C)NC(=O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422948054 387782316 /nfs/dbraw/zinc/78/23/16/387782316.db2.gz ZIAQJPMIHLHRJZ-NEPJUHHUSA-N 1 3 241.379 0.879 20 0 BCADHO CC[NH+]1CCC(NC[C@H](O)[C@@H]2CCCO2)CC1 ZINC000527949198 387783579 /nfs/dbraw/zinc/78/35/79/387783579.db2.gz FYQFUQMHKBUTOO-STQMWFEESA-N 1 3 242.363 0.600 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000432534030 387800081 /nfs/dbraw/zinc/80/00/81/387800081.db2.gz BNSAPEQLJIOMHQ-SRVKXCTJSA-N 1 3 241.379 0.687 20 0 BCADHO C[C@H](N[C@@H](CO)CC(C)(C)C)C1C[NH2+]C1 ZINC000422992517 387800927 /nfs/dbraw/zinc/80/09/27/387800927.db2.gz CUVBFSVVSJPAQN-GXSJLCMTSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C1CNC1 ZINC000422992517 387800928 /nfs/dbraw/zinc/80/09/28/387800928.db2.gz CUVBFSVVSJPAQN-GXSJLCMTSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@H](NC[C@H](O)CN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973251 387821861 /nfs/dbraw/zinc/82/18/61/387821861.db2.gz BONYSBUMJWHZMV-SRVKXCTJSA-N 1 3 229.368 0.029 20 0 BCADHO COC[C@@H](NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC1 ZINC000643537411 387874876 /nfs/dbraw/zinc/87/48/76/387874876.db2.gz HIYMUILLMQMQPF-GARJFASQSA-N 1 3 216.300 0.701 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000442711695 387826122 /nfs/dbraw/zinc/82/61/22/387826122.db2.gz FEMLAZJQVNIQEZ-VWYCJHECSA-N 1 3 227.352 0.748 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@@H](CN)C[C@@H]1C ZINC000442794561 387840738 /nfs/dbraw/zinc/84/07/38/387840738.db2.gz TZBCZGSHPODVQO-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@@H](CN)C[C@@H]1C ZINC000442794561 387840744 /nfs/dbraw/zinc/84/07/44/387840744.db2.gz TZBCZGSHPODVQO-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442794561 387840748 /nfs/dbraw/zinc/84/07/48/387840748.db2.gz TZBCZGSHPODVQO-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000070502767 387841183 /nfs/dbraw/zinc/84/11/83/387841183.db2.gz JQUFIXBPFBQGJB-GHMZBOCLSA-N 1 3 225.336 0.326 20 0 BCADHO CO[C@@H]1CCC[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643533572 387848331 /nfs/dbraw/zinc/84/83/31/387848331.db2.gz RUDLMTDLINQTHZ-JCIQBVFBSA-N 1 3 210.321 0.751 20 0 BCADHO COC[C@H](NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000433007115 387849139 /nfs/dbraw/zinc/84/91/39/387849139.db2.gz UERBQPUEXUQILZ-STQMWFEESA-N 1 3 242.363 0.864 20 0 BCADHO CC1=CCN(CCN[C@@H](C)C2C[NH2+]C2)CC1 ZINC000423041899 387856171 /nfs/dbraw/zinc/85/61/71/387856171.db2.gz YBEWBIQPPVUBSC-LBPRGKRZSA-N 1 3 223.364 0.836 20 0 BCADHO CCOC(=O)CC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193605446 387859821 /nfs/dbraw/zinc/85/98/21/387859821.db2.gz RVXZTRFSHMYZTE-PHIMTYICSA-N 1 3 226.320 0.433 20 0 BCADHO CCOC(=O)CC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193605446 387859822 /nfs/dbraw/zinc/85/98/22/387859822.db2.gz RVXZTRFSHMYZTE-PHIMTYICSA-N 1 3 226.320 0.433 20 0 BCADHO CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2N)CCC1 ZINC000423057674 387864843 /nfs/dbraw/zinc/86/48/43/387864843.db2.gz HVQDPAMVTMEUKK-WDEREUQCSA-N 1 3 211.353 0.940 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537372 387874679 /nfs/dbraw/zinc/87/46/79/387874679.db2.gz GGAHJMNPXJNKJY-VPOLOUISSA-N 1 3 215.316 0.226 20 0 BCADHO CC[C@H]1CN(C[C@H](C)[NH3+])CCN1CCOC ZINC000442654355 387814890 /nfs/dbraw/zinc/81/48/90/387814890.db2.gz BFIHYMWILKSGTA-RYUDHWBXSA-N 1 3 229.368 0.376 20 0 BCADHO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CN ZINC000422964844 387814998 /nfs/dbraw/zinc/81/49/98/387814998.db2.gz JWRDJOIHXLSYDY-QWRGUYRKSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@@H]1CN(C[C@@H](C)[NH3+])CCN1C[C@@H](C)O ZINC000442654291 387815144 /nfs/dbraw/zinc/81/51/44/387815144.db2.gz AYDFZLNEGSLGPZ-IJLUTSLNSA-N 1 3 229.368 0.111 20 0 BCADHO Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])c(=O)n1C ZINC000423086560 387880071 /nfs/dbraw/zinc/88/00/71/387880071.db2.gz MDHNMPVKEBBUBO-WCQYABFASA-N 1 3 249.358 0.911 20 0 BCADHO CN(CCNC(=O)[C@@H]1[NH2+]CC1(C)C)C1CC1 ZINC000645745884 387882882 /nfs/dbraw/zinc/88/28/82/387882882.db2.gz UFUHYSQVJAAULN-JTQLQIEISA-N 1 3 225.336 0.195 20 0 BCADHO OCCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157939758 387885675 /nfs/dbraw/zinc/88/56/75/387885675.db2.gz RHWNFUPQQNRWHW-NWDGAFQWSA-N 1 3 212.337 0.975 20 0 BCADHO OCCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157939758 387885679 /nfs/dbraw/zinc/88/56/79/387885679.db2.gz RHWNFUPQQNRWHW-NWDGAFQWSA-N 1 3 212.337 0.975 20 0 BCADHO N[C@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000423100268 387886966 /nfs/dbraw/zinc/88/69/66/387886966.db2.gz UZHYGJWXIURFPS-NWDGAFQWSA-N 1 3 209.337 0.718 20 0 BCADHO [NH3+][C@H]1CCC[C@H]1NCCN1CC=CCC1 ZINC000423100268 387886969 /nfs/dbraw/zinc/88/69/69/387886969.db2.gz UZHYGJWXIURFPS-NWDGAFQWSA-N 1 3 209.337 0.718 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423100267 387887346 /nfs/dbraw/zinc/88/73/46/387887346.db2.gz UZHYGJWXIURFPS-NEPJUHHUSA-N 1 3 209.337 0.718 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1NCCN1CC=CCC1 ZINC000423100267 387887350 /nfs/dbraw/zinc/88/73/50/387887350.db2.gz UZHYGJWXIURFPS-NEPJUHHUSA-N 1 3 209.337 0.718 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000236677675 387899164 /nfs/dbraw/zinc/89/91/64/387899164.db2.gz XLIJOURZFNUKBU-NXEZZACHSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236677317 387900911 /nfs/dbraw/zinc/90/09/11/387900911.db2.gz DXFCNALBYBJCOQ-SNVBAGLBSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])C1)N(C)C ZINC000236710727 387906072 /nfs/dbraw/zinc/90/60/72/387906072.db2.gz QYGIULZZLMPCDX-UWVGGRQHSA-N 1 3 213.325 0.132 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000423131533 387908993 /nfs/dbraw/zinc/90/89/93/387908993.db2.gz OBONBMMTLOZYBT-RNJOBUHISA-N 1 3 242.363 0.633 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236913918 387913081 /nfs/dbraw/zinc/91/30/81/387913081.db2.gz LVWWEKPFXDFGLK-ARHMULMVSA-N 1 3 239.363 0.759 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H](CO)C1CC1 ZINC000423138681 387915739 /nfs/dbraw/zinc/91/57/39/387915739.db2.gz JUHVTPSDDQQWHR-JLLWLGSASA-N 1 3 212.337 0.593 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](CO)C1CC1 ZINC000423138680 387916441 /nfs/dbraw/zinc/91/64/41/387916441.db2.gz JUHVTPSDDQQWHR-ADEWGFFLSA-N 1 3 212.337 0.593 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000423145559 387922026 /nfs/dbraw/zinc/92/20/26/387922026.db2.gz LHCVAPUITFHZBY-RWMBFGLXSA-N 1 3 244.379 0.881 20 0 BCADHO CCC[C@@H](CN[C@H](C)C1C[NH2+]C1)OC ZINC000423147633 387924744 /nfs/dbraw/zinc/92/47/44/387924744.db2.gz SLUWTVYPUMNGHQ-KOLCDFICSA-N 1 3 200.326 0.999 20 0 BCADHO CCC[C@@H](C[NH2+][C@H](C)C1CNC1)OC ZINC000423147633 387924745 /nfs/dbraw/zinc/92/47/45/387924745.db2.gz SLUWTVYPUMNGHQ-KOLCDFICSA-N 1 3 200.326 0.999 20 0 BCADHO COC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245512724 387954014 /nfs/dbraw/zinc/95/40/14/387954014.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245512724 387954018 /nfs/dbraw/zinc/95/40/18/387954018.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000245512724 387954022 /nfs/dbraw/zinc/95/40/22/387954022.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000245512724 387954026 /nfs/dbraw/zinc/95/40/26/387954026.db2.gz ARZUJHBUGDKXMT-JHJVBQTASA-N 1 3 242.363 0.410 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[C@@H](CO)C1 ZINC000423156964 387937639 /nfs/dbraw/zinc/93/76/39/387937639.db2.gz LUXYVHUNBLWSHA-WISYIIOYSA-N 1 3 212.337 0.735 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000156222672 387943427 /nfs/dbraw/zinc/94/34/27/387943427.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156222672 387943432 /nfs/dbraw/zinc/94/34/32/387943432.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156222672 387943436 /nfs/dbraw/zinc/94/34/36/387943436.db2.gz RKWKSVBYEUNOLE-CHWSQXEVSA-N 1 3 243.395 0.637 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[C@H]1O ZINC000423163614 387945005 /nfs/dbraw/zinc/94/50/05/387945005.db2.gz MZQQMJLIHAPEBA-WRWGMCAJSA-N 1 3 212.337 0.735 20 0 BCADHO CC(C)CN1CCCC[C@@H]1CNC(N)=[NH2+] ZINC000158602085 387959467 /nfs/dbraw/zinc/95/94/67/387959467.db2.gz OXCPHJQEJAXDRE-SNVBAGLBSA-N 1 3 212.341 0.980 20 0 BCADHO COCCN1CC[C@@H](N[C@@H]2CCC[NH2+]C2)C1 ZINC000423196951 387981416 /nfs/dbraw/zinc/98/14/16/387981416.db2.gz XAAPJVBOPYMSQY-VXGBXAGGSA-N 1 3 227.352 0.049 20 0 BCADHO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423190087 387975342 /nfs/dbraw/zinc/97/53/42/387975342.db2.gz NKGPZKOINXECST-UTUOFQBUSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423190088 387976160 /nfs/dbraw/zinc/97/61/60/387976160.db2.gz NKGPZKOINXECST-WOPDTQHZSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@H](Cc1ccoc1)NC[C@@H](O)C[NH+](C)C ZINC000453095023 387981739 /nfs/dbraw/zinc/98/17/39/387981739.db2.gz GUTBMLKJSXNXIV-ZYHUDNBSSA-N 1 3 226.320 0.723 20 0 BCADHO CN1CC[C@@H](C[NH2+][C@@H]2CCCNCC2)CC1=O ZINC000424368331 387991637 /nfs/dbraw/zinc/99/16/37/387991637.db2.gz BACQURBKCCEIQS-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO Cc1ccncc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423207857 387993924 /nfs/dbraw/zinc/99/39/24/387993924.db2.gz SINCLFYGJKFCQJ-ZDUSSCGKSA-N 1 3 248.374 0.946 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC000423196998 387982152 /nfs/dbraw/zinc/98/21/52/387982152.db2.gz XENIDKKPRFSLPM-NTZNESFSSA-N 1 3 223.364 0.811 20 0 BCADHO Cc1cncc([C@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423211047 387995823 /nfs/dbraw/zinc/99/58/23/387995823.db2.gz XTLCVEBRIVBADC-ZDUSSCGKSA-N 1 3 248.374 0.946 20 0 BCADHO CN(C[C@@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000086637602 135092210 /nfs/dbraw/zinc/09/22/10/135092210.db2.gz LZEZANKEDGITEL-JTQLQIEISA-N 1 3 200.326 0.940 20 0 BCADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)[C@H]1CC[NH2+]C1 ZINC000446363885 388016234 /nfs/dbraw/zinc/01/62/34/388016234.db2.gz QRVWWBVCEYQBPX-SRVKXCTJSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@@H+]1C ZINC000446369197 388016765 /nfs/dbraw/zinc/01/67/65/388016765.db2.gz LMWJXAJYGOEMGQ-XWLWVQCSSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@H+]1C ZINC000446369197 388016766 /nfs/dbraw/zinc/01/67/66/388016766.db2.gz LMWJXAJYGOEMGQ-XWLWVQCSSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+]C2)CCN1C ZINC000446374968 388016797 /nfs/dbraw/zinc/01/67/97/388016797.db2.gz RVEFRBQVHMUWCM-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000446374120 388017340 /nfs/dbraw/zinc/01/73/40/388017340.db2.gz FKNVQCUKBXYISZ-GARJFASQSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@@H+]1C ZINC000446369195 388017385 /nfs/dbraw/zinc/01/73/85/388017385.db2.gz LMWJXAJYGOEMGQ-UKKRHICBSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](F)CN2)CC[N@H+]1C ZINC000446369195 388017387 /nfs/dbraw/zinc/01/73/87/388017387.db2.gz LMWJXAJYGOEMGQ-UKKRHICBSA-N 1 3 243.326 0.285 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257311 388019309 /nfs/dbraw/zinc/01/93/09/388019309.db2.gz GCSYDVDWLNKTOC-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257311 388019311 /nfs/dbraw/zinc/01/93/11/388019311.db2.gz GCSYDVDWLNKTOC-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257314 388019716 /nfs/dbraw/zinc/01/97/16/388019716.db2.gz GCSYDVDWLNKTOC-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257314 388019721 /nfs/dbraw/zinc/01/97/21/388019721.db2.gz GCSYDVDWLNKTOC-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@H](CN)CC(C)C)C1 ZINC000423257923 388037973 /nfs/dbraw/zinc/03/79/73/388037973.db2.gz ASNHBGLNSFKRTQ-STQMWFEESA-N 1 3 243.395 0.670 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000423244860 388028842 /nfs/dbraw/zinc/02/88/42/388028842.db2.gz XWMOPMZQAUYLGW-UTUOFQBUSA-N 1 3 223.364 0.953 20 0 BCADHO COC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000156754388 388030839 /nfs/dbraw/zinc/03/08/39/388030839.db2.gz ZJOPYCOHLVZWSX-JTQLQIEISA-N 1 3 216.325 0.855 20 0 BCADHO CC(C)[NH+](CCNC(=O)C1(N)CC1)C(C)C ZINC000083833775 388063559 /nfs/dbraw/zinc/06/35/59/388063559.db2.gz YXGZYXVCOGBIBQ-UHFFFAOYSA-N 1 3 227.352 0.713 20 0 BCADHO NC1(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000083836047 388063713 /nfs/dbraw/zinc/06/37/13/388063713.db2.gz NGLUZCGHCSHHJB-JTQLQIEISA-N 1 3 223.320 0.174 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000083903356 388064625 /nfs/dbraw/zinc/06/46/25/388064625.db2.gz DNXFMMHENCIWTO-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000083903356 388064628 /nfs/dbraw/zinc/06/46/28/388064628.db2.gz DNXFMMHENCIWTO-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CN)C1 ZINC000083903354 388065114 /nfs/dbraw/zinc/06/51/14/388065114.db2.gz GVXKFRBUDKVILR-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CN)C1 ZINC000083903354 388065116 /nfs/dbraw/zinc/06/51/16/388065116.db2.gz GVXKFRBUDKVILR-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)CC(F)F ZINC000336657372 388067715 /nfs/dbraw/zinc/06/77/15/388067715.db2.gz LVRQCRCGKXJJCR-JGVFFNPUSA-N 1 3 237.294 0.425 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932318 388111574 /nfs/dbraw/zinc/11/15/74/388111574.db2.gz HBXIQPSTUIZWQX-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932318 388111576 /nfs/dbraw/zinc/11/15/76/388111576.db2.gz HBXIQPSTUIZWQX-DCAQKATOSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(N)CC1 ZINC000086932249 388111658 /nfs/dbraw/zinc/11/16/58/388111658.db2.gz ZVOCTAMAILZKJN-VHSXEESVSA-N 1 3 223.320 0.173 20 0 BCADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(N)CC1 ZINC000086932249 388111659 /nfs/dbraw/zinc/11/16/59/388111659.db2.gz ZVOCTAMAILZKJN-VHSXEESVSA-N 1 3 223.320 0.173 20 0 BCADHO CC(C)(C)N1CCC([NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000453331457 388049068 /nfs/dbraw/zinc/04/90/68/388049068.db2.gz FKTBXWVAKVYCHB-VXGBXAGGSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000646185812 388161128 /nfs/dbraw/zinc/16/11/28/388161128.db2.gz KJLRIYRAYGYGDL-DCAQKATOSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000646222568 388167808 /nfs/dbraw/zinc/16/78/08/388167808.db2.gz JGZAJBDQCINXRV-KOLCDFICSA-N 1 3 239.363 0.713 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@H]2C1 ZINC000646297375 388178271 /nfs/dbraw/zinc/17/82/71/388178271.db2.gz DRFSKJCLNPIYMX-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000646297882 388178348 /nfs/dbraw/zinc/17/83/48/388178348.db2.gz WMIRVVQPLDWRBK-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)C[NH3+] ZINC000646012031 388124139 /nfs/dbraw/zinc/12/41/39/388124139.db2.gz DWWTVHCCYSAQQK-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)C[NH2+]C ZINC000646012185 388124199 /nfs/dbraw/zinc/12/41/99/388124199.db2.gz HWOUBTCSVUVGDH-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000646012650 388124589 /nfs/dbraw/zinc/12/45/89/388124589.db2.gz UWUZFCYNASVJDT-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](C)N(C)C ZINC000454644929 388127730 /nfs/dbraw/zinc/12/77/30/388127730.db2.gz OTHZPEJWLSNBMF-MNOVXSKESA-N 1 3 244.383 0.576 20 0 BCADHO COC(=O)COC[C@@H](C)NCCC[NH+](C)C ZINC000449060877 388137669 /nfs/dbraw/zinc/13/76/69/388137669.db2.gz DZYVJJXZOJDHKH-SNVBAGLBSA-N 1 3 232.324 0.106 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)CCN1C ZINC000646077534 388138543 /nfs/dbraw/zinc/13/85/43/388138543.db2.gz UASMMDYZHVVVST-GMTAPVOTSA-N 1 3 239.363 0.583 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000449101486 388142971 /nfs/dbraw/zinc/14/29/71/388142971.db2.gz FKQZSAOAOUVALM-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO COC(=O)COC[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000449106814 388143431 /nfs/dbraw/zinc/14/34/31/388143431.db2.gz JZWXDYDGGDPWSQ-MNOVXSKESA-N 1 3 246.351 0.494 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000449118539 388145145 /nfs/dbraw/zinc/14/51/45/388145145.db2.gz SNYWYTCHVYZCBV-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000449118681 388145151 /nfs/dbraw/zinc/14/51/51/388145151.db2.gz ZCIRDJVBDBJDNI-GMTAPVOTSA-N 1 3 227.352 0.583 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000449123267 388145292 /nfs/dbraw/zinc/14/52/92/388145292.db2.gz NNQHZTZQCBNICO-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000449123267 388145293 /nfs/dbraw/zinc/14/52/93/388145293.db2.gz NNQHZTZQCBNICO-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000449120345 388145317 /nfs/dbraw/zinc/14/53/17/388145317.db2.gz CQYGVEPVYNJABO-JBLDHEPKSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)NC1CC1 ZINC000449120977 388145684 /nfs/dbraw/zinc/14/56/84/388145684.db2.gz GGVJLNZVUITRAU-WPRPVWTQSA-N 1 3 213.325 0.226 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449661711 388249598 /nfs/dbraw/zinc/24/95/98/388249598.db2.gz CYKRJNZYKLHBPQ-SECBINFHSA-N 1 3 249.305 0.442 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000449497745 388219135 /nfs/dbraw/zinc/21/91/35/388219135.db2.gz RMSAHQLZMDDTLI-MXWKQRLJSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000449503235 388220050 /nfs/dbraw/zinc/22/00/50/388220050.db2.gz XLYYMZOPVAOXNF-QXEWZRGKSA-N 1 3 225.336 0.384 20 0 BCADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000449505907 388220327 /nfs/dbraw/zinc/22/03/27/388220327.db2.gz ZOQHRUFGIQLVQO-GUBZILKMSA-N 1 3 225.336 0.336 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000449539126 388227422 /nfs/dbraw/zinc/22/74/22/388227422.db2.gz VIANVBVPEFUJMG-JQWIXIFHSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)CCN1 ZINC000646327537 388227814 /nfs/dbraw/zinc/22/78/14/388227814.db2.gz FEGMWYSUOPMYAW-GHMZBOCLSA-N 1 3 239.363 0.441 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C1(N)CCCCC1 ZINC000449602032 388240331 /nfs/dbraw/zinc/24/03/31/388240331.db2.gz SMXVMLSTKHXBBW-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])N(C)C ZINC000449605909 388240624 /nfs/dbraw/zinc/24/06/24/388240624.db2.gz XHKGTFPDGFIANV-KXUCPTDWSA-N 1 3 215.341 0.425 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000449603757 388240796 /nfs/dbraw/zinc/24/07/96/388240796.db2.gz WGKZUPKWWGBACU-HRDYMLBCSA-N 1 3 201.314 0.213 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000449603758 388241023 /nfs/dbraw/zinc/24/10/23/388241023.db2.gz WGKZUPKWWGBACU-VGMNWLOBSA-N 1 3 201.314 0.213 20 0 BCADHO NC1(C(=O)N[C@H](CC[NH3+])C(F)F)CCCCC1 ZINC000449608894 388241219 /nfs/dbraw/zinc/24/12/19/388241219.db2.gz LDWOJLJLWKCGKH-MRVPVSSYSA-N 1 3 249.305 0.747 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000449633094 388246218 /nfs/dbraw/zinc/24/62/18/388246218.db2.gz OSAUPSJAYJONDW-USZNOCQGSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)N(C)CC(=O)N(C)C1CC([NH3+])C1 ZINC000449631384 388246272 /nfs/dbraw/zinc/24/62/72/388246272.db2.gz KPQSGGBEBFRXNW-UHFFFAOYSA-N 1 3 213.325 0.275 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000449635624 388247184 /nfs/dbraw/zinc/24/71/84/388247184.db2.gz UXAWOVDHBBJAMY-HBNTYKKESA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491841425 388324383 /nfs/dbraw/zinc/32/43/83/388324383.db2.gz CGUIQVGZKPIJPS-VOTSOKGWSA-N 1 3 227.352 0.561 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491841425 388324384 /nfs/dbraw/zinc/32/43/84/388324384.db2.gz CGUIQVGZKPIJPS-VOTSOKGWSA-N 1 3 227.352 0.561 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000491845192 388324780 /nfs/dbraw/zinc/32/47/80/388324780.db2.gz JSCWWACGTAQLHE-JLVNDZCYSA-N 1 3 241.379 0.951 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000491864690 388325386 /nfs/dbraw/zinc/32/53/86/388325386.db2.gz GSCSVKGKAKYIRE-FJOGCWAESA-N 1 3 239.363 0.561 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000491880168 388325877 /nfs/dbraw/zinc/32/58/77/388325877.db2.gz BZISLKLBPTZCTI-WYGGZMRJSA-N 1 3 225.336 0.172 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000491880168 388325878 /nfs/dbraw/zinc/32/58/78/388325878.db2.gz BZISLKLBPTZCTI-WYGGZMRJSA-N 1 3 225.336 0.172 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491881091 388326185 /nfs/dbraw/zinc/32/61/85/388326185.db2.gz GCQIPPNYIBUJQC-GUOLPTJISA-N 1 3 241.379 0.951 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C/CN(C)C ZINC000491881091 388326186 /nfs/dbraw/zinc/32/61/86/388326186.db2.gz GCQIPPNYIBUJQC-GUOLPTJISA-N 1 3 241.379 0.951 20 0 BCADHO CC[NH+](CC)CCCNC(=O)/C=C/CN(C)C ZINC000491892829 388326770 /nfs/dbraw/zinc/32/67/70/388326770.db2.gz MOBDKDVKUMTBQX-VQHVLOKHSA-N 1 3 241.379 0.952 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\CN(C)C ZINC000491895457 388326777 /nfs/dbraw/zinc/32/67/77/388326777.db2.gz WONYUCHMAKSCLH-VFFGBVLKSA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)/C=C\CN(C)C ZINC000491895457 388326778 /nfs/dbraw/zinc/32/67/78/388326778.db2.gz WONYUCHMAKSCLH-VFFGBVLKSA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)/C=C\CN(C)C)C1 ZINC000491908219 388327273 /nfs/dbraw/zinc/32/72/73/388327273.db2.gz UIBOGTDXPHHEHO-FOQNGQEVSA-N 1 3 239.363 0.562 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)/C=C\CN(C)C)C1 ZINC000491908219 388327274 /nfs/dbraw/zinc/32/72/74/388327274.db2.gz UIBOGTDXPHHEHO-FOQNGQEVSA-N 1 3 239.363 0.562 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)/C=C/CN(C)C)C1 ZINC000491908217 388327285 /nfs/dbraw/zinc/32/72/85/388327285.db2.gz UIBOGTDXPHHEHO-BTDICHCPSA-N 1 3 239.363 0.562 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)/C=C/CN(C)C)C1 ZINC000491908217 388327286 /nfs/dbraw/zinc/32/72/86/388327286.db2.gz UIBOGTDXPHHEHO-BTDICHCPSA-N 1 3 239.363 0.562 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)/C=C/CN(C)C)C1 ZINC000491908220 388327298 /nfs/dbraw/zinc/32/72/98/388327298.db2.gz UIBOGTDXPHHEHO-FYJFLYSWSA-N 1 3 239.363 0.562 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)/C=C/CN(C)C)C1 ZINC000491908220 388327299 /nfs/dbraw/zinc/32/72/99/388327299.db2.gz UIBOGTDXPHHEHO-FYJFLYSWSA-N 1 3 239.363 0.562 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953484 388269028 /nfs/dbraw/zinc/26/90/28/388269028.db2.gz VUUINCBMAJPNDP-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953484 388269030 /nfs/dbraw/zinc/26/90/30/388269030.db2.gz VUUINCBMAJPNDP-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C(=O)N[C@H]2CCN(CC3CC3)C2)C[NH2+]C1 ZINC000645953381 388269071 /nfs/dbraw/zinc/26/90/71/388269071.db2.gz RKYYGHVHZXVGLC-NSHDSACASA-N 1 3 237.347 0.196 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953275 388269122 /nfs/dbraw/zinc/26/91/22/388269122.db2.gz MXBUIARBKZNVSG-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH+](CC)[C@H](C)CNC(=O)/C=C\CN(C)C ZINC000492004106 388331140 /nfs/dbraw/zinc/33/11/40/388331140.db2.gz SEUSCZRQNHVPPI-JLVNDZCYSA-N 1 3 241.379 0.951 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000646338519 388272266 /nfs/dbraw/zinc/27/22/66/388272266.db2.gz PFEFKGIFQGSJIB-UWVGGRQHSA-N 1 3 223.320 0.078 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000646369507 388347048 /nfs/dbraw/zinc/34/70/48/388347048.db2.gz NBFBJNGIFJNKNP-HBNTYKKESA-N 1 3 237.347 0.195 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385114 388348521 /nfs/dbraw/zinc/34/85/21/388348521.db2.gz XISMRJJOINDUHU-VXGBXAGGSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@H](C)N1 ZINC000131861695 388353182 /nfs/dbraw/zinc/35/31/82/388353182.db2.gz JBQFACQAFQCAER-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584015 388358139 /nfs/dbraw/zinc/35/81/39/388358139.db2.gz MFKALVOCXKJLDY-OUAUKWLOSA-N 1 3 237.347 0.609 20 0 BCADHO CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000646430770 388358179 /nfs/dbraw/zinc/35/81/79/388358179.db2.gz HMIQZYRYLICGKW-LLVKDONJSA-N 1 3 239.363 0.809 20 0 BCADHO CCCN(C(=O)[C@H](C)N)C1CC[NH2+]CC1 ZINC000163333488 388361164 /nfs/dbraw/zinc/36/11/64/388361164.db2.gz KRKUFXLYFAWMBK-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000300392124 388364410 /nfs/dbraw/zinc/36/44/10/388364410.db2.gz YOBJUTLXEMDLQB-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000300392124 388364412 /nfs/dbraw/zinc/36/44/12/388364412.db2.gz YOBJUTLXEMDLQB-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO CCN(CC)CC(=O)NC1CC[NH2+]CC1 ZINC000261534583 135167550 /nfs/dbraw/zinc/16/75/50/135167550.db2.gz MRVVWZBGCCKFHH-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(CCN(C)C)C1CC1 ZINC000646542682 388379386 /nfs/dbraw/zinc/37/93/86/388379386.db2.gz QFVCFKUKQSVFOI-SECBINFHSA-N 1 3 213.325 0.276 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)[C@@H](N)CC)CC1 ZINC000236759168 388381338 /nfs/dbraw/zinc/38/13/38/388381338.db2.gz OUYZEYPDGBKCEY-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572876633 388383040 /nfs/dbraw/zinc/38/30/40/388383040.db2.gz PSEJIWRBSXWLTJ-JQWIXIFHSA-N 1 3 227.352 0.620 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000236766135 388383316 /nfs/dbraw/zinc/38/33/16/388383316.db2.gz BCENZLDKVQAILS-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000236811582 388383362 /nfs/dbraw/zinc/38/33/62/388383362.db2.gz WSPZONLSPASNBE-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000236996547 388385065 /nfs/dbraw/zinc/38/50/65/388385065.db2.gz LFAJIWLXTMWGCI-WPRPVWTQSA-N 1 3 213.325 0.310 20 0 BCADHO CCO[C@@H]1COC[C@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572900249 388386364 /nfs/dbraw/zinc/38/63/64/388386364.db2.gz ZXXCNHRWYPJQGV-IRCOFANPSA-N 1 3 228.336 0.650 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646578201 388388008 /nfs/dbraw/zinc/38/80/08/388388008.db2.gz PLRKNFROVOQLRQ-MNOVXSKESA-N 1 3 239.363 0.442 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000237066417 388388485 /nfs/dbraw/zinc/38/84/85/388388485.db2.gz VUCIBXMDWXQCRU-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000237150775 388390573 /nfs/dbraw/zinc/39/05/73/388390573.db2.gz VWFZEHNAWYDZQI-VHSXEESVSA-N 1 3 215.341 0.332 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000646609045 388394014 /nfs/dbraw/zinc/39/40/14/388394014.db2.gz HCVZYPMYEQSWBB-SNVBAGLBSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000646629453 388398376 /nfs/dbraw/zinc/39/83/76/388398376.db2.gz OFLQIQVZNMALMF-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000646649664 388401773 /nfs/dbraw/zinc/40/17/73/388401773.db2.gz PWDWWRNJSDKIMM-YUMQZZPRSA-N 1 3 235.278 0.227 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)/C=C/C[NH+](C)C ZINC000492110590 388335416 /nfs/dbraw/zinc/33/54/16/388335416.db2.gz PIMWWJTVQRIWIR-WAFBPQNNSA-N 1 3 239.363 0.657 20 0 BCADHO N[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000646730891 388441011 /nfs/dbraw/zinc/44/10/11/388441011.db2.gz IHUBXXVCBLQMSD-ZYHUDNBSSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000646730868 388441142 /nfs/dbraw/zinc/44/11/42/388441142.db2.gz GOJBNMSEYZUHFH-QWRGUYRKSA-N 1 3 239.363 0.633 20 0 BCADHO CC[C@@](C)(CNC[C@H](O)C[N@H+](C)C1CC1)OC ZINC000322837666 388448575 /nfs/dbraw/zinc/44/85/75/388448575.db2.gz DXAFSOYUMXZNDN-STQMWFEESA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@@](C)(CNC[C@H](O)C[N@@H+](C)C1CC1)OC ZINC000322837666 388448577 /nfs/dbraw/zinc/44/85/77/388448577.db2.gz DXAFSOYUMXZNDN-STQMWFEESA-N 1 3 244.379 0.846 20 0 BCADHO N[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045255 388448711 /nfs/dbraw/zinc/44/87/11/388448711.db2.gz MXHKVNHBKUZTNN-NEPJUHHUSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000335045255 388448714 /nfs/dbraw/zinc/44/87/14/388448714.db2.gz MXHKVNHBKUZTNN-NEPJUHHUSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H](C)N1CCCCCC1 ZINC000194887586 388454668 /nfs/dbraw/zinc/45/46/68/388454668.db2.gz MEHFBEFVWYYYKP-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646699039 388419794 /nfs/dbraw/zinc/41/97/94/388419794.db2.gz WVYYVNOAHWQMPZ-NXEZZACHSA-N 1 3 225.336 0.100 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517233422 388543715 /nfs/dbraw/zinc/54/37/15/388543715.db2.gz PNWQTRADPKNUHF-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000517237603 388544779 /nfs/dbraw/zinc/54/47/79/388544779.db2.gz LUBVXIOENXRJSC-UTLUCORTSA-N 1 3 215.341 0.602 20 0 BCADHO CCOC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310582778 388485752 /nfs/dbraw/zinc/48/57/52/388485752.db2.gz RXRNMYUFOPWZDB-UTUOFQBUSA-N 1 3 240.347 0.869 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646769927 388493564 /nfs/dbraw/zinc/49/35/64/388493564.db2.gz LHTRWHPMBCRHIW-AXFHLTTASA-N 1 3 239.363 0.570 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000517390410 388549131 /nfs/dbraw/zinc/54/91/31/388549131.db2.gz HJPDZBAEERUROQ-DTWKUNHWSA-N 1 3 201.314 0.084 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000516926656 388524618 /nfs/dbraw/zinc/52/46/18/388524618.db2.gz VCVMEQXYFJDNQP-KOLCDFICSA-N 1 3 221.304 0.020 20 0 BCADHO C[NH+](C)CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000082796481 388587852 /nfs/dbraw/zinc/58/78/52/388587852.db2.gz VJFPSVWJYJFQHI-ZDUSSCGKSA-N 1 3 247.342 0.551 20 0 BCADHO COC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397114 388605249 /nfs/dbraw/zinc/60/52/49/388605249.db2.gz KMRCRNQSCJDQPU-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO COC[C@@H](C)C[N@H+]1C[C@@H]2CCCN[C@@H]2C1 ZINC000220397114 388605251 /nfs/dbraw/zinc/60/52/51/388605251.db2.gz KMRCRNQSCJDQPU-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000517456802 388551108 /nfs/dbraw/zinc/55/11/08/388551108.db2.gz ZZMFRSXOPDJHCX-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000517456802 388551110 /nfs/dbraw/zinc/55/11/10/388551110.db2.gz ZZMFRSXOPDJHCX-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000358125723 388553655 /nfs/dbraw/zinc/55/36/55/388553655.db2.gz IOAAQHIFLBBEKF-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358125723 388553657 /nfs/dbraw/zinc/55/36/57/388553657.db2.gz IOAAQHIFLBBEKF-NWDGAFQWSA-N 1 3 241.379 0.688 20 0 BCADHO CCC[NH+]1CCC(NC[C@H]2COCCN2)CC1 ZINC000530180780 388622653 /nfs/dbraw/zinc/62/26/53/388622653.db2.gz AKTQCZXGHLJZTC-ZDUSSCGKSA-N 1 3 241.379 0.439 20 0 BCADHO CCCN1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530180780 388622654 /nfs/dbraw/zinc/62/26/54/388622654.db2.gz AKTQCZXGHLJZTC-ZDUSSCGKSA-N 1 3 241.379 0.439 20 0 BCADHO C[NH2+]CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000084420073 135249493 /nfs/dbraw/zinc/24/94/93/135249493.db2.gz BINFBZIWNIKYSW-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO C[C@@H](NCC12CC(C1)CO2)[C@H]1CC[NH2+]C1 ZINC000530217812 388629858 /nfs/dbraw/zinc/62/98/58/388629858.db2.gz CLIFNEDPWBIRPK-ZYGVAYEYSA-N 1 3 210.321 0.753 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000530218780 388631877 /nfs/dbraw/zinc/63/18/77/388631877.db2.gz HBLRMGDVRMRREV-YECOWLKZSA-N 1 3 210.321 0.882 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219409 388632162 /nfs/dbraw/zinc/63/21/62/388632162.db2.gz LSCRFNDXMZFPOO-IJLUTSLNSA-N 1 3 223.364 0.811 20 0 BCADHO COc1ccc(CCN[C@H](C)C2C[NH2+]C2)cn1 ZINC000530221275 388632910 /nfs/dbraw/zinc/63/29/10/388632910.db2.gz OSRJULUNEDSUSC-SNVBAGLBSA-N 1 3 235.331 0.830 20 0 BCADHO COc1ccc(CC[NH2+][C@H](C)C2CNC2)cn1 ZINC000530221275 388632912 /nfs/dbraw/zinc/63/29/12/388632912.db2.gz OSRJULUNEDSUSC-SNVBAGLBSA-N 1 3 235.331 0.830 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1COCCN1 ZINC000530222948 388634156 /nfs/dbraw/zinc/63/41/56/388634156.db2.gz IUIZWDKGAVBJDH-SRVKXCTJSA-N 1 3 227.352 0.082 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1COCCN1 ZINC000530222948 388634158 /nfs/dbraw/zinc/63/41/58/388634158.db2.gz IUIZWDKGAVBJDH-SRVKXCTJSA-N 1 3 227.352 0.082 20 0 BCADHO C[NH+](C)C[C@@H](O)CN[C@@H]1CCOC1(C)C ZINC000328394934 388642835 /nfs/dbraw/zinc/64/28/35/388642835.db2.gz PXNGMWPWRHCJOD-VHSXEESVSA-N 1 3 216.325 0.066 20 0 BCADHO CCOCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564212315 388735924 /nfs/dbraw/zinc/73/59/24/388735924.db2.gz RSQGBPBNTWGPKJ-LBPRGKRZSA-N 1 3 242.363 0.710 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC000248648002 388688596 /nfs/dbraw/zinc/68/85/96/388688596.db2.gz JBYBXOCSRLLDNZ-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC000248648002 388688597 /nfs/dbraw/zinc/68/85/97/388688597.db2.gz JBYBXOCSRLLDNZ-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@H+](CCNC(=O)C(C)(C)N)C1CC1 ZINC000226397371 388718660 /nfs/dbraw/zinc/71/86/60/388718660.db2.gz WZYYBTAFGQMRSM-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CC[N@@H+](CCNC(=O)C(C)(C)N)C1CC1 ZINC000226397371 388718663 /nfs/dbraw/zinc/71/86/63/388718663.db2.gz WZYYBTAFGQMRSM-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](C(=O)NCCN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249512389 388725594 /nfs/dbraw/zinc/72/55/94/388725594.db2.gz OFJWXRJFGFFQKU-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@H](C(=O)NCCN(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249512389 388725597 /nfs/dbraw/zinc/72/55/97/388725597.db2.gz OFJWXRJFGFFQKU-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@H](C(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000540517394 388808416 /nfs/dbraw/zinc/80/84/16/388808416.db2.gz LVJMEZRZGNHAGX-LLVKDONJSA-N 1 3 229.368 0.737 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000252813086 388784538 /nfs/dbraw/zinc/78/45/38/388784538.db2.gz HXWDTMBLRKGART-WUHRBBMRSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000252813086 388784543 /nfs/dbraw/zinc/78/45/43/388784543.db2.gz HXWDTMBLRKGART-WUHRBBMRSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000252813088 388784765 /nfs/dbraw/zinc/78/47/65/388784765.db2.gz HXWDTMBLRKGART-YVECIDJPSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000252813088 388784769 /nfs/dbraw/zinc/78/47/69/388784769.db2.gz HXWDTMBLRKGART-YVECIDJPSA-N 1 3 224.348 0.853 20 0 BCADHO COC[C@@H]1CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000250485569 388790648 /nfs/dbraw/zinc/79/06/48/388790648.db2.gz YQEWDFQGNJLOBP-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO COC[C@@H]1CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000250485569 388790652 /nfs/dbraw/zinc/79/06/52/388790652.db2.gz YQEWDFQGNJLOBP-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261735303 388881857 /nfs/dbraw/zinc/88/18/57/388881857.db2.gz ORIHFUPZTXAHHN-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000564949549 388899566 /nfs/dbraw/zinc/89/95/66/388899566.db2.gz ANEWJLNEPUMBDJ-GUBZILKMSA-N 1 3 225.336 0.323 20 0 BCADHO CCCNC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129883379 388875059 /nfs/dbraw/zinc/87/50/59/388875059.db2.gz MKWXLKUBUAGUDO-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129883379 388875062 /nfs/dbraw/zinc/87/50/62/388875062.db2.gz MKWXLKUBUAGUDO-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000564992462 388906511 /nfs/dbraw/zinc/90/65/11/388906511.db2.gz LYXCZQOKCDDFIN-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C ZINC000565041289 388909392 /nfs/dbraw/zinc/90/93/92/388909392.db2.gz UUAYCROXSKJJNW-DCAQKATOSA-N 1 3 229.368 0.815 20 0 BCADHO O=C(N1CC[C@@H](N2CCCC2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000565035129 388910261 /nfs/dbraw/zinc/91/02/61/388910261.db2.gz RJVVUXHCRMHVMK-BZPMIXESSA-N 1 3 249.358 0.435 20 0 BCADHO NCCC[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000565234438 388930228 /nfs/dbraw/zinc/93/02/28/388930228.db2.gz UCTURGFBKZLFGA-NWDGAFQWSA-N 1 3 239.363 0.858 20 0 BCADHO CC[C@@H]1CC[N@@H+](C[C@@](C)(O)CNC)C1 ZINC000565308784 388934728 /nfs/dbraw/zinc/93/47/28/388934728.db2.gz DPHIMRIEVPMNTD-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@@H]1CC[N@H+](C[C@@](C)(O)CNC)C1 ZINC000565308784 388934726 /nfs/dbraw/zinc/93/47/26/388934726.db2.gz DPHIMRIEVPMNTD-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CC[C@@H]1CCN(C[C@@](C)(O)C[NH2+]C)C1 ZINC000565308784 388934730 /nfs/dbraw/zinc/93/47/30/388934730.db2.gz DPHIMRIEVPMNTD-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000565419850 388943573 /nfs/dbraw/zinc/94/35/73/388943573.db2.gz HNSBCXWUFGYGPY-DGCLKSJQSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](NCCN1CCCC1)[C@@H]1CCC[NH2+]1 ZINC000400674412 533394720 /nfs/dbraw/zinc/39/47/20/533394720.db2.gz VGOVPHBXTGKIBL-NEPJUHHUSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@H](N)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000361761815 132280314 /nfs/dbraw/zinc/28/03/14/132280314.db2.gz FAIQCKADASIABZ-VIFPVBQESA-N 1 3 233.315 0.772 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)N(C)C ZINC000253160400 133653121 /nfs/dbraw/zinc/65/31/21/133653121.db2.gz STMIXPKVEISLAE-VWYCJHECSA-N 1 3 227.352 0.441 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351771642 133985143 /nfs/dbraw/zinc/98/51/43/133985143.db2.gz VTKWCRZHPKLIGK-DCAQKATOSA-N 1 3 227.352 0.700 20 0 BCADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H](O)C2)CC1 ZINC000336210551 134134367 /nfs/dbraw/zinc/13/43/67/134134367.db2.gz YVBNIBOVLPDDAS-TXEJJXNPSA-N 1 3 212.337 0.972 20 0 BCADHO COC[C@H](C)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167604966 134152614 /nfs/dbraw/zinc/15/26/14/134152614.db2.gz SGHOMHGISUMJJO-DCAQKATOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000167604966 134152615 /nfs/dbraw/zinc/15/26/15/134152615.db2.gz SGHOMHGISUMJJO-DCAQKATOSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](CN)C1 ZINC000167604966 134152616 /nfs/dbraw/zinc/15/26/16/134152616.db2.gz SGHOMHGISUMJJO-DCAQKATOSA-N 1 3 200.326 0.938 20 0 BCADHO Cn1cncc1CN1CCC[C@@H](CC[NH3+])C1 ZINC000085170876 134224531 /nfs/dbraw/zinc/22/45/31/134224531.db2.gz ZFKXWZREBMTGPR-NSHDSACASA-N 1 3 222.336 0.981 20 0 BCADHO COC[C@@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000219320338 134281219 /nfs/dbraw/zinc/28/12/19/134281219.db2.gz JXOIJKCDQZHUTQ-GFCCVEGCSA-N 1 3 230.352 0.579 20 0 BCADHO CNC(=O)CCCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000220378759 134306218 /nfs/dbraw/zinc/30/62/18/134306218.db2.gz RSJFSDIKQKLAML-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CNC(=O)CCC[N@H+](C)C[C@@H]1CCCNC1 ZINC000220378759 134306219 /nfs/dbraw/zinc/30/62/19/134306219.db2.gz RSJFSDIKQKLAML-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CNC(=O)CCC[N@@H+](C)C[C@@H]1CCCNC1 ZINC000220378759 134306220 /nfs/dbraw/zinc/30/62/20/134306220.db2.gz RSJFSDIKQKLAML-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000178708046 134313343 /nfs/dbraw/zinc/31/33/43/134313343.db2.gz OKVSDHZOVAETIZ-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO CCCN(C(=O)[C@@]1(F)CCNC1)[C@H]1CC[NH2+]C1 ZINC000178936476 134313652 /nfs/dbraw/zinc/31/36/52/134313652.db2.gz TZSXOGIPZKAYEV-CMPLNLGQSA-N 1 3 243.326 0.289 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223939212 134343646 /nfs/dbraw/zinc/34/36/46/134343646.db2.gz HASOKZOYZWMUNY-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223939212 134343647 /nfs/dbraw/zinc/34/36/47/134343647.db2.gz HASOKZOYZWMUNY-SRVKXCTJSA-N 1 3 230.352 0.456 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@H]1CCCN1C ZINC000226394015 134365390 /nfs/dbraw/zinc/36/53/90/134365390.db2.gz JWGDVBQMOXBLPV-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO COC[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)OC ZINC000227712264 134384557 /nfs/dbraw/zinc/38/45/57/134384557.db2.gz QVNOYBUESTUPKG-SRVKXCTJSA-N 1 3 230.352 0.720 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N(C)C ZINC000227736147 134385897 /nfs/dbraw/zinc/38/58/97/134385897.db2.gz KTHMDRYNOXTKEM-NSHDSACASA-N 1 3 229.368 0.770 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)NCCCC[NH3+] ZINC000232932005 134558478 /nfs/dbraw/zinc/55/84/78/134558478.db2.gz IWHVOEQSIHBJNW-JTQLQIEISA-N 1 3 227.352 0.620 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)N(C)C ZINC000133733042 134691664 /nfs/dbraw/zinc/69/16/64/134691664.db2.gz SSNLCPWSBWCMLK-RYUDHWBXSA-N 1 3 241.379 0.737 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@H](C)N1 ZINC000248391419 135001340 /nfs/dbraw/zinc/00/13/40/135001340.db2.gz CCXSHRITHOQCED-NTZNESFSSA-N 1 3 239.363 0.727 20 0 BCADHO CNCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000237241324 135070096 /nfs/dbraw/zinc/07/00/96/135070096.db2.gz ZTRRGJGBDVQHGY-UHFFFAOYSA-N 1 3 235.331 0.584 20 0 BCADHO C[C@@H]1CN(CCOCC[NH3+])CCCO1 ZINC000086435707 135084407 /nfs/dbraw/zinc/08/44/07/135084407.db2.gz TYUYKELUMQRZGY-SNVBAGLBSA-N 1 3 202.298 0.073 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2COCCO2)CC[N@@H+]1C ZINC000252140761 135084579 /nfs/dbraw/zinc/08/45/79/135084579.db2.gz NEOKTHDAJRDEDM-WOPDTQHZSA-N 1 3 228.336 0.474 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2COCCO2)CC[N@H+]1C ZINC000252140761 135084581 /nfs/dbraw/zinc/08/45/81/135084581.db2.gz NEOKTHDAJRDEDM-WOPDTQHZSA-N 1 3 228.336 0.474 20 0 BCADHO COC[C@H](NC[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000086700619 135095011 /nfs/dbraw/zinc/09/50/11/135095011.db2.gz GFAMJCNRBUNIRK-STQMWFEESA-N 1 3 244.379 0.704 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H](O)COC)[C@@H](C)C1 ZINC000252712368 135100328 /nfs/dbraw/zinc/10/03/28/135100328.db2.gz MFRHOGXEXLBVKN-SRVKXCTJSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H](O)COC)[C@@H](C)C1 ZINC000252712368 135100330 /nfs/dbraw/zinc/10/03/30/135100330.db2.gz MFRHOGXEXLBVKN-SRVKXCTJSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CN(C)CCO1 ZINC000252730510 135103535 /nfs/dbraw/zinc/10/35/35/135103535.db2.gz LRKZTIXDQOWGIK-AGIUHOORSA-N 1 3 241.379 0.247 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CN(C)CCO1 ZINC000252730510 135103536 /nfs/dbraw/zinc/10/35/36/135103536.db2.gz LRKZTIXDQOWGIK-AGIUHOORSA-N 1 3 241.379 0.247 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CN ZINC000253096458 135120837 /nfs/dbraw/zinc/12/08/37/135120837.db2.gz LVPZPOVTFMCQDN-ZRUFSTJUSA-N 1 3 212.337 0.863 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000253096458 135120838 /nfs/dbraw/zinc/12/08/38/135120838.db2.gz LVPZPOVTFMCQDN-ZRUFSTJUSA-N 1 3 212.337 0.863 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253202339 135124936 /nfs/dbraw/zinc/12/49/36/135124936.db2.gz YTBJIQMEKJBCIB-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253202339 135124937 /nfs/dbraw/zinc/12/49/37/135124937.db2.gz YTBJIQMEKJBCIB-VWYCJHECSA-N 1 3 225.336 0.467 20 0 BCADHO C([C@@H]1CCOC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000257669141 135138086 /nfs/dbraw/zinc/13/80/86/135138086.db2.gz HZNBWYBUTHUGRT-RYUDHWBXSA-N 1 3 210.321 0.708 20 0 BCADHO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1CN)C1CC1 ZINC000261531195 135159738 /nfs/dbraw/zinc/15/97/38/135159738.db2.gz FPPLFZYUMVTGMB-USWWRNFRSA-N 1 3 212.337 0.864 20 0 BCADHO C[C@]1(C(N)=O)CC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261534184 135166812 /nfs/dbraw/zinc/16/68/12/135166812.db2.gz OEKKUUMFGWNBMJ-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@]1(C(N)=O)CC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261534184 135166813 /nfs/dbraw/zinc/16/68/13/135166813.db2.gz OEKKUUMFGWNBMJ-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H]1CCN(CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000261540765 135180036 /nfs/dbraw/zinc/18/00/36/135180036.db2.gz HUYRFCGXIDPIQF-WCQYABFASA-N 1 3 236.363 0.879 20 0 BCADHO CN(CCNC(=O)CC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000261542687 135183391 /nfs/dbraw/zinc/18/33/91/135183391.db2.gz CGZFYHPLFPREKS-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000261550816 135189904 /nfs/dbraw/zinc/18/99/04/135189904.db2.gz PSSIZZBJPDSDNC-IVZWLZJFSA-N 1 3 213.325 0.051 20 0 BCADHO C[C@]1(CN2CCC[C@H](CO)C2)CC[NH2+]C1 ZINC000261560114 135200770 /nfs/dbraw/zinc/20/07/70/135200770.db2.gz ZQHCJLDOZMRAKR-RYUDHWBXSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@]1(CN2CCC[C@H](CO)C2)CC[NH2+]C1 ZINC000261560113 135200863 /nfs/dbraw/zinc/20/08/63/135200863.db2.gz ZQHCJLDOZMRAKR-NWDGAFQWSA-N 1 3 212.337 0.690 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000261562688 135204103 /nfs/dbraw/zinc/20/41/03/135204103.db2.gz BNMYPXDTMWHSKE-GUBZILKMSA-N 1 3 213.325 0.357 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000261574121 135215562 /nfs/dbraw/zinc/21/55/62/135215562.db2.gz JCEYGDHVYGEZGS-KOLCDFICSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)N(C)C ZINC000084382471 135216466 /nfs/dbraw/zinc/21/64/66/135216466.db2.gz CXHWMETXOBSHMS-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO CC[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000261582043 135222863 /nfs/dbraw/zinc/22/28/63/135222863.db2.gz OACBTIMSKKBXRQ-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CN(CC(C)(C)[NH3+])[C@@H]1CCN(C2CC2)C1 ZINC000261583033 135224440 /nfs/dbraw/zinc/22/44/40/135224440.db2.gz OUIATQINKXTFQI-LLVKDONJSA-N 1 3 211.353 0.892 20 0 BCADHO CN1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])CC1=O ZINC000261584550 135226326 /nfs/dbraw/zinc/22/63/26/135226326.db2.gz PXXUYJCUVGVEAK-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO Cn1cnnc1[C@@H]1CCCN1CC1CC[NH2+]CC1 ZINC000261588549 135229511 /nfs/dbraw/zinc/22/95/11/135229511.db2.gz VTRORBYHLMAIJX-LBPRGKRZSA-N 1 3 249.362 0.952 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261597529 135236815 /nfs/dbraw/zinc/23/68/15/135236815.db2.gz ZEQKHBWKCREWCD-DTWKUNHWSA-N 1 3 213.325 0.213 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261642528 135242664 /nfs/dbraw/zinc/24/26/64/135242664.db2.gz CGWSXMOQFIEMDM-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@]1(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC[NH2+]C1 ZINC000261712954 135247884 /nfs/dbraw/zinc/24/78/84/135247884.db2.gz DWLFDSKMNVTPJT-RNJOBUHISA-N 1 3 224.348 0.689 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000084420064 135249304 /nfs/dbraw/zinc/24/93/04/135249304.db2.gz MCYDCWWCGNXKGF-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261748110 135249655 /nfs/dbraw/zinc/24/96/55/135249655.db2.gz OSYFQJUMHTZPJA-NSHDSACASA-N 1 3 235.331 0.364 20 0 BCADHO C[C@@]1(CN2CC[C@](C)(C(N)=O)C2)CC[NH2+]C1 ZINC000261772828 135251782 /nfs/dbraw/zinc/25/17/82/135251782.db2.gz MWNFWAOEOSJXDL-NEPJUHHUSA-N 1 3 225.336 0.183 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCN1CCCC1 ZINC000261785420 135252298 /nfs/dbraw/zinc/25/22/98/135252298.db2.gz PSLDABVEAJADJT-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000261822441 135255186 /nfs/dbraw/zinc/25/51/86/135255186.db2.gz MPHLRUYFWIARJI-DCAQKATOSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000261826359 135255993 /nfs/dbraw/zinc/25/59/93/135255993.db2.gz ISTJNHUCAZSBBE-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000261826382 135256380 /nfs/dbraw/zinc/25/63/80/135256380.db2.gz ISTJNHUCAZSBBE-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000261931795 135264613 /nfs/dbraw/zinc/26/46/13/135264613.db2.gz YYWOWFMCYVZENB-ZYHUDNBSSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000261931795 135264614 /nfs/dbraw/zinc/26/46/14/135264614.db2.gz YYWOWFMCYVZENB-ZYHUDNBSSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261943111 135264778 /nfs/dbraw/zinc/26/47/78/135264778.db2.gz NVNCJDMYTLVMIH-CKYFFXLPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C ZINC000261958793 135265968 /nfs/dbraw/zinc/26/59/68/135265968.db2.gz MFZBVDHPIVWYML-WOPDTQHZSA-N 1 3 241.379 0.768 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000262004489 135271526 /nfs/dbraw/zinc/27/15/26/135271526.db2.gz IAHLLOYLHIHPAO-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO NC1(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000262139957 135281334 /nfs/dbraw/zinc/28/13/34/135281334.db2.gz PBAPKFVYPPSPQY-UHFFFAOYSA-N 1 3 237.347 0.468 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000262336163 135293707 /nfs/dbraw/zinc/29/37/07/135293707.db2.gz HGWJTYRQXKABDG-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCC(=O)NCCN1CCC[C@H](C)C1 ZINC000262351570 135294698 /nfs/dbraw/zinc/29/46/98/135294698.db2.gz JCXNJZCCOBCGFU-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000262404726 135295089 /nfs/dbraw/zinc/29/50/89/135295089.db2.gz AYZFWNKSBJZPAG-JTQLQIEISA-N 1 3 225.336 0.516 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C1(N)CCCC1 ZINC000262403289 135295683 /nfs/dbraw/zinc/29/56/83/135295683.db2.gz AFMNRKRTOQAMJM-SNVBAGLBSA-N 1 3 227.352 0.892 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000262388597 135298742 /nfs/dbraw/zinc/29/87/42/135298742.db2.gz NZJWYVBBWUZUPK-NSHDSACASA-N 1 3 245.392 0.149 20 0 BCADHO CC(C)[C@H](C(=O)NCC1([NH3+])CCC1)N(C)C ZINC000342600695 135302060 /nfs/dbraw/zinc/30/20/60/135302060.db2.gz WRLJVRAXBNKVGZ-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000262527348 135304106 /nfs/dbraw/zinc/30/41/06/135304106.db2.gz BDYSXLYGIBSWDA-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)NCCN(C)C ZINC000342663143 135308490 /nfs/dbraw/zinc/30/84/90/135308490.db2.gz LWTFFCOXZLPKTN-SNVBAGLBSA-N 1 3 230.356 0.187 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342722492 135314561 /nfs/dbraw/zinc/31/45/61/135314561.db2.gz TWASYOTXBRKRPT-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262707850 135314941 /nfs/dbraw/zinc/31/49/41/135314941.db2.gz BYEQODHXNKXILT-IRCOFANPSA-N 1 3 239.363 0.713 20 0 BCADHO CNCC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000262730055 135315759 /nfs/dbraw/zinc/31/57/59/135315759.db2.gz CTNIPTFNPSFOKI-LBPRGKRZSA-N 1 3 239.363 0.396 20 0 BCADHO CC(C)N(C)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262839037 135320630 /nfs/dbraw/zinc/32/06/30/135320630.db2.gz WWWLVILRQAWCGA-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262839037 135320632 /nfs/dbraw/zinc/32/06/32/135320632.db2.gz WWWLVILRQAWCGA-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262839037 135320633 /nfs/dbraw/zinc/32/06/33/135320633.db2.gz WWWLVILRQAWCGA-QWRGUYRKSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])N(C)C ZINC000262953518 135324869 /nfs/dbraw/zinc/32/48/69/135324869.db2.gz JZYDACWBYOXEAO-NTZNESFSSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C(=O)N[C@H]1CCN(C2CC2)C1)C1C[NH2+]C1 ZINC000164474269 135344690 /nfs/dbraw/zinc/34/46/90/135344690.db2.gz PQBYOKNTKILGRZ-ONGXEEELSA-N 1 3 237.347 0.195 20 0 BCADHO O=C(Nc1ccc2c(c1F)CCNC2)[C@H]1CC[NH2+]1 ZINC000334343770 135364890 /nfs/dbraw/zinc/36/48/90/135364890.db2.gz MTIZSRKFULIFCE-LLVKDONJSA-N 1 3 249.289 0.772 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(N)=O ZINC000080565273 135378849 /nfs/dbraw/zinc/37/88/49/135378849.db2.gz MUIVOPMODRBKAN-LLVKDONJSA-N 1 3 242.367 0.413 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(N)=O ZINC000080565273 135378851 /nfs/dbraw/zinc/37/88/51/135378851.db2.gz MUIVOPMODRBKAN-LLVKDONJSA-N 1 3 242.367 0.413 20 0 BCADHO Cc1ncccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000344529506 135775836 /nfs/dbraw/zinc/77/58/36/135775836.db2.gz IYBMETUYEPERKO-UHFFFAOYSA-N 1 3 249.358 0.936 20 0 BCADHO FC1(F)CCNC[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000334833309 135817690 /nfs/dbraw/zinc/81/76/90/135817690.db2.gz OXXPLKXAMGMBOD-IUCAKERBSA-N 1 3 219.279 0.325 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCN2CCC1CC2 ZINC000334954797 135849738 /nfs/dbraw/zinc/84/97/38/135849738.db2.gz XLBRMEFMWMXXIC-SNVBAGLBSA-N 1 3 240.351 0.213 20 0 BCADHO CCN1CCC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000335285057 136002210 /nfs/dbraw/zinc/00/22/10/136002210.db2.gz IOVCTQMLLVIIPY-WDEREUQCSA-N 1 3 240.351 0.213 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCNC(C)(C)C1 ZINC000335308172 136027977 /nfs/dbraw/zinc/02/79/77/136027977.db2.gz HKDMUDZWULUEMD-SNVBAGLBSA-N 1 3 242.367 0.363 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000348340614 136071311 /nfs/dbraw/zinc/07/13/11/136071311.db2.gz PODOVXLZSYTSSY-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc2c(c1)CNC2 ZINC000335357510 136074737 /nfs/dbraw/zinc/07/47/37/136074737.db2.gz BSVOLEXWTLMQDX-IUCAKERBSA-N 1 3 233.315 0.755 20 0 BCADHO C[C@H]1CN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000335361721 136081361 /nfs/dbraw/zinc/08/13/61/136081361.db2.gz WFRKPLFWBSPZHZ-IUCAKERBSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@@]1(C)C[NH3+] ZINC000335391518 136090819 /nfs/dbraw/zinc/09/08/19/136090819.db2.gz XPNRBIXWVYEAND-MWLCHTKSSA-N 1 3 225.336 0.311 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000094295685 487528598 /nfs/dbraw/zinc/52/85/98/487528598.db2.gz ITELZMBWONBAKZ-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000054072626 322855154 /nfs/dbraw/zinc/85/51/54/322855154.db2.gz RFBNYSPUEOMWFN-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248858950 397766981 /nfs/dbraw/zinc/76/69/81/397766981.db2.gz LTWUUIMXVBYMTB-HBNTYKKESA-N 1 3 239.363 0.855 20 0 BCADHO CCN(C)CCNC(=O)CCC[NH2+]C ZINC000054133327 397903335 /nfs/dbraw/zinc/90/33/35/397903335.db2.gz IFFCYHMENBKOQX-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000054133126 397903434 /nfs/dbraw/zinc/90/34/34/397903434.db2.gz PNRDMHARSQSOFM-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO CN1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000334376947 397919482 /nfs/dbraw/zinc/91/94/82/397919482.db2.gz FQDTVHXAQPNHOQ-LBPRGKRZSA-N 1 3 234.347 0.951 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000372508005 398005626 /nfs/dbraw/zinc/00/56/26/398005626.db2.gz UAAOXPXNZVIHNG-YFKTTZPYSA-N 1 3 239.363 0.841 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372909974 398007680 /nfs/dbraw/zinc/00/76/80/398007680.db2.gz HWLGOJFLKYKOFL-WOPDTQHZSA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000637845692 398029680 /nfs/dbraw/zinc/02/96/80/398029680.db2.gz BSMXBUSCZDHXPX-QWRGUYRKSA-N 1 3 229.368 0.849 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000383687793 398034827 /nfs/dbraw/zinc/03/48/27/398034827.db2.gz SEZGRKJIFLRHPC-STQMWFEESA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000383687793 398034829 /nfs/dbraw/zinc/03/48/29/398034829.db2.gz SEZGRKJIFLRHPC-STQMWFEESA-N 1 3 244.379 0.534 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000564731739 398039700 /nfs/dbraw/zinc/03/97/00/398039700.db2.gz HJYJNHBITJXNLN-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)CCCN(C)C[C@H]1CC[NH2+]C1 ZINC000382761377 397971811 /nfs/dbraw/zinc/97/18/11/397971811.db2.gz YKBCWIGNDUKYLS-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO COC(C)(C)CN(C)C[C@@H]1CC[NH2+]C1 ZINC000382749347 397972576 /nfs/dbraw/zinc/97/25/76/397972576.db2.gz CZVWWFQTKVJMAC-SNVBAGLBSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](CO)C1 ZINC000398807689 398062896 /nfs/dbraw/zinc/06/28/96/398062896.db2.gz OKVXHEDPJLENCE-AGIUHOORSA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)C[C@H](CO)C1 ZINC000398807689 398062900 /nfs/dbraw/zinc/06/29/00/398062900.db2.gz OKVXHEDPJLENCE-AGIUHOORSA-N 1 3 244.379 0.249 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)/C=C\CN(C)C)CC[N@@H+]1C ZINC000491904976 398076971 /nfs/dbraw/zinc/07/69/71/398076971.db2.gz NAZOTLITDZQCFA-DUVUQDDDSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)/C=C\CN(C)C)CC[N@H+]1C ZINC000491904976 398076974 /nfs/dbraw/zinc/07/69/74/398076974.db2.gz NAZOTLITDZQCFA-DUVUQDDDSA-N 1 3 239.363 0.703 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646703593 398084552 /nfs/dbraw/zinc/08/45/52/398084552.db2.gz QPWHTGBBKNVUBB-GHMZBOCLSA-N 1 3 227.352 0.476 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000128928554 398098655 /nfs/dbraw/zinc/09/86/55/398098655.db2.gz GTXGRFZNJJHLGE-FXPVBKGRSA-N 1 3 229.299 0.074 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NCCN(C)C1CC1 ZINC000061995885 398110249 /nfs/dbraw/zinc/11/02/49/398110249.db2.gz JSGAZZFUVXBKKV-NSHDSACASA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309404702 171394105 /nfs/dbraw/zinc/39/41/05/171394105.db2.gz HWKRLHGCGVHGSA-JXUBOQSCSA-N 1 3 213.325 0.308 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)N(C)C ZINC000613661449 398121912 /nfs/dbraw/zinc/12/19/12/398121912.db2.gz WUSBQTCGWXNHMF-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)N(C)C ZINC000613661446 398122261 /nfs/dbraw/zinc/12/22/61/398122261.db2.gz WUSBQTCGWXNHMF-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO C[NH2+]CCCN(CCCCO)C1CC1 ZINC000308887939 173347452 /nfs/dbraw/zinc/34/74/52/173347452.db2.gz VAOOHVRPIMXKKD-UHFFFAOYSA-N 1 3 200.326 0.833 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@]1(C)CCCCN1 ZINC000237258824 173348338 /nfs/dbraw/zinc/34/83/38/173348338.db2.gz RCCGCYCZRISDBG-LLVKDONJSA-N 1 3 213.325 0.244 20 0 BCADHO CC[C@H](CCO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000094953528 487565085 /nfs/dbraw/zinc/56/50/85/487565085.db2.gz ONNXMUBVJGBJDQ-OLZOCXBDSA-N 1 3 244.379 0.441 20 0 BCADHO C[C@@H](CNC(=O)CC1([NH3+])CCC1)N(C)C ZINC000086853381 487566756 /nfs/dbraw/zinc/56/67/56/487566756.db2.gz YPOOAVYKOVHTIX-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393747282 487580639 /nfs/dbraw/zinc/58/06/39/487580639.db2.gz RNIOBQQSIHGYID-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](O)CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393747282 487580646 /nfs/dbraw/zinc/58/06/46/487580646.db2.gz RNIOBQQSIHGYID-SDDRHHMPSA-N 1 3 212.337 0.974 20 0 BCADHO CN(C[C@H]1CNCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264790 409560055 /nfs/dbraw/zinc/56/00/55/409560055.db2.gz LWSJEJNGWSAACL-ZGVCCVRISA-N 1 3 239.363 0.190 20 0 BCADHO C[C@@H]1CCCN(C[C@H]2CNCCO2)[C@H]1C[NH3+] ZINC000662244080 409535930 /nfs/dbraw/zinc/53/59/30/409535930.db2.gz GKXOKXLLQCJRHM-UTUOFQBUSA-N 1 3 227.352 0.034 20 0 BCADHO COC[C@H](CN1CCC[C@H]([C@@H](C)[NH3+])C1)OC ZINC000662245080 409538638 /nfs/dbraw/zinc/53/86/38/409538638.db2.gz MYPDJRRCWGGQLT-WOPDTQHZSA-N 1 3 230.352 0.707 20 0 BCADHO c1cn(C[C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000662297042 409626612 /nfs/dbraw/zinc/62/66/12/409626612.db2.gz YIAJXGQXLJIFQT-VXGBXAGGSA-N 1 3 235.335 0.210 20 0 BCADHO C[NH2+]CCNC(=O)c1cccc2c1CNC2 ZINC000662409440 409700534 /nfs/dbraw/zinc/70/05/34/409700534.db2.gz LWZNJWACSJGKDV-UHFFFAOYSA-N 1 3 219.288 0.239 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000662383484 409686424 /nfs/dbraw/zinc/68/64/24/409686424.db2.gz LKSWXTCAWMZALI-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO [NH3+][C@@H](CNC(=O)c1cccc2c1CNC2)C1CC1 ZINC000662550965 409751960 /nfs/dbraw/zinc/75/19/60/409751960.db2.gz MQDBDJJBBCWXOP-ZDUSSCGKSA-N 1 3 245.326 0.757 20 0 BCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000662695044 409843140 /nfs/dbraw/zinc/84/31/40/409843140.db2.gz WTOFBZQNOCIMNZ-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)(C)N1CC[C@@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000662623625 409791708 /nfs/dbraw/zinc/79/17/08/409791708.db2.gz ZKKVNGZMKYOTNE-SNVBAGLBSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)C2(C)C[NH2+]C2)C1 ZINC000662622981 409792253 /nfs/dbraw/zinc/79/22/53/409792253.db2.gz VQSYJMYCGPUOPP-JTQLQIEISA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653135750 409854535 /nfs/dbraw/zinc/85/45/35/409854535.db2.gz OSIRMDWUWFOSHU-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662774713 409895956 /nfs/dbraw/zinc/89/59/56/409895956.db2.gz QZJJONHVCWCBAY-SECBINFHSA-N 1 3 233.315 0.409 20 0 BCADHO [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCCCN1 ZINC000662877030 409964382 /nfs/dbraw/zinc/96/43/82/409964382.db2.gz NLKPRBZELCIVHZ-YZRBJQDESA-N 1 3 223.320 0.078 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000662954193 409988013 /nfs/dbraw/zinc/98/80/13/409988013.db2.gz SRZUDLLAYRAELU-ZYHUDNBSSA-N 1 3 235.331 0.281 20 0 BCADHO CN(CCN1CCCCC1)C(=O)CC1([NH3+])CC1 ZINC000662834459 409942051 /nfs/dbraw/zinc/94/20/51/409942051.db2.gz VERJQEFRNLVIHU-UHFFFAOYSA-N 1 3 239.363 0.812 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000662839411 409949184 /nfs/dbraw/zinc/94/91/84/409949184.db2.gz QNXLPZNDGAFTQC-QWRGUYRKSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000662839411 409949193 /nfs/dbraw/zinc/94/91/93/409949193.db2.gz QNXLPZNDGAFTQC-QWRGUYRKSA-N 1 3 237.347 0.611 20 0 BCADHO C[C@]1(NC(=O)c2ccc3c(c2)CNC3)CC[NH2+]C1 ZINC000663010151 410027820 /nfs/dbraw/zinc/02/78/20/410027820.db2.gz IHNMYUGLTBRHPN-AWEZNQCLSA-N 1 3 245.326 0.772 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662970101 409998955 /nfs/dbraw/zinc/99/89/55/409998955.db2.gz UPJDSUVDUZCFFL-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)CN ZINC000653176305 410152957 /nfs/dbraw/zinc/15/29/57/410152957.db2.gz PVBZRKLRRGAKOL-UHFFFAOYSA-N 1 3 201.314 0.039 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)CN ZINC000653176305 410152967 /nfs/dbraw/zinc/15/29/67/410152967.db2.gz PVBZRKLRRGAKOL-UHFFFAOYSA-N 1 3 201.314 0.039 20 0 BCADHO C[NH2+]Cc1ccccc1CNC(=O)C1(N)CCC1 ZINC000653214465 410167532 /nfs/dbraw/zinc/16/75/32/410167532.db2.gz WREPMBJOGRGKHX-UHFFFAOYSA-N 1 3 247.342 0.904 20 0 BCADHO CN1CCC(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000653220606 410170097 /nfs/dbraw/zinc/17/00/97/410170097.db2.gz OWERRBZISBMQSJ-UHFFFAOYSA-N 1 3 239.363 0.573 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653232799 410175517 /nfs/dbraw/zinc/17/55/17/410175517.db2.gz JWCVZVQRSFTVBU-DCAQKATOSA-N 1 3 227.352 0.700 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256665 410240687 /nfs/dbraw/zinc/24/06/87/410240687.db2.gz XJQKWPKXIJJHDW-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO Cc1c[nH]nc1CNCCC1(C[NH3+])CC1 ZINC000650713820 410345029 /nfs/dbraw/zinc/34/50/29/410345029.db2.gz DBDQWDHTHWXGSO-UHFFFAOYSA-N 1 3 208.309 0.937 20 0 BCADHO NC1(C(=O)NCCC2CC[NH2+]CC2)CCCC1 ZINC000653267047 410310750 /nfs/dbraw/zinc/31/07/50/410310750.db2.gz KCZMWQNIHORNSJ-UHFFFAOYSA-N 1 3 239.363 0.764 20 0 BCADHO Cn1cc(CNC2CCC(C[NH3+])CC2)nn1 ZINC000650759010 410406841 /nfs/dbraw/zinc/40/68/41/410406841.db2.gz BEXYKBLLWNYONK-UHFFFAOYSA-N 1 3 223.324 0.422 20 0 BCADHO C[C@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCCC1 ZINC000665248840 410731781 /nfs/dbraw/zinc/73/17/81/410731781.db2.gz DGASLIZPQNULPE-WDEREUQCSA-N 1 3 211.353 0.798 20 0 BCADHO C[C@H]1CN(C)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665248840 410731783 /nfs/dbraw/zinc/73/17/83/410731783.db2.gz DGASLIZPQNULPE-WDEREUQCSA-N 1 3 211.353 0.798 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665262107 410734151 /nfs/dbraw/zinc/73/41/51/410734151.db2.gz UJIQVJNPPIRHIH-LNFKQOIKSA-N 1 3 216.325 0.099 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000655481782 410734869 /nfs/dbraw/zinc/73/48/69/410734869.db2.gz KBYOPWYCDAOBQO-NSHDSACASA-N 1 3 229.368 0.688 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000655481782 410734874 /nfs/dbraw/zinc/73/48/74/410734874.db2.gz KBYOPWYCDAOBQO-NSHDSACASA-N 1 3 229.368 0.688 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000655483142 410738809 /nfs/dbraw/zinc/73/88/09/410738809.db2.gz TWZHUQZDTQAFPL-VHSXEESVSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCCCO1 ZINC000393883932 410764586 /nfs/dbraw/zinc/76/45/86/410764586.db2.gz RUIZYJYXOQDFPM-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000655485720 410779365 /nfs/dbraw/zinc/77/93/65/410779365.db2.gz JFGRQRQAIZTVHR-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO c1ncn(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000394303698 410784845 /nfs/dbraw/zinc/78/48/45/410784845.db2.gz SYHZHBFXJBEZMA-STQMWFEESA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000394303698 410784851 /nfs/dbraw/zinc/78/48/51/410784851.db2.gz SYHZHBFXJBEZMA-STQMWFEESA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCC[NH2+][C@H]2CCN3CCC[C@H]3C2)n1 ZINC000394303698 410784856 /nfs/dbraw/zinc/78/48/56/410784856.db2.gz SYHZHBFXJBEZMA-STQMWFEESA-N 1 3 249.362 0.885 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1CN ZINC000394672045 410817437 /nfs/dbraw/zinc/81/74/37/410817437.db2.gz XWMIROLHVABTDA-GARJFASQSA-N 1 3 216.325 0.101 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2NCC2(C)C)C1 ZINC000655489209 410795308 /nfs/dbraw/zinc/79/53/08/410795308.db2.gz NCCDVPGLXLOXAH-OUAUKWLOSA-N 1 3 239.363 0.441 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000655488568 410798008 /nfs/dbraw/zinc/79/80/08/410798008.db2.gz CNJVDVTUJWTQJQ-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000655488729 410800309 /nfs/dbraw/zinc/80/03/09/410800309.db2.gz FOXHWLXFMCRXDH-PHIMTYICSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)N)CC2 ZINC000236813477 167035444 /nfs/dbraw/zinc/03/54/44/167035444.db2.gz NKUZSVLYKJCLPC-UTUOFQBUSA-N 1 3 239.363 0.807 20 0 BCADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)N)CC2 ZINC000236813477 167035447 /nfs/dbraw/zinc/03/54/47/167035447.db2.gz NKUZSVLYKJCLPC-UTUOFQBUSA-N 1 3 239.363 0.807 20 0 BCADHO CC(C)[NH2+]CC(=O)NC1CCN(C)CC1 ZINC000037477129 167097965 /nfs/dbraw/zinc/09/79/65/167097965.db2.gz XUPGQVZFNDDFPI-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H](c1ccncc1)N1CCC(O)(C[NH3+])CC1 ZINC000397050867 410912841 /nfs/dbraw/zinc/91/28/41/410912841.db2.gz RAZNTAZBQUTIKA-NSHDSACASA-N 1 3 235.331 0.928 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000041680058 169788091 /nfs/dbraw/zinc/78/80/91/169788091.db2.gz CBPGIOGPKTVYAA-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH3+])N(C)C ZINC000236711178 167343079 /nfs/dbraw/zinc/34/30/79/167343079.db2.gz LKLIFBYWLBFRAT-ZJUUUORDSA-N 1 3 215.341 0.284 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH+](C)C)N(C)C ZINC000346143968 167344156 /nfs/dbraw/zinc/34/41/56/167344156.db2.gz TVLPLSXPUTXQSK-MNOVXSKESA-N 1 3 229.368 0.639 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH3+])N(C)C ZINC000309649487 167345173 /nfs/dbraw/zinc/34/51/73/167345173.db2.gz XGQZTVJNWWYAQI-BDAKNGLRSA-N 1 3 201.314 0.036 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H]1CN(C)C ZINC000061644081 167394603 /nfs/dbraw/zinc/39/46/03/167394603.db2.gz OBVFOPDFXFLNJC-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO CCO[C@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000042425537 411005544 /nfs/dbraw/zinc/00/55/44/411005544.db2.gz UFEKXGIPCBOPQU-ZDUSSCGKSA-N 1 3 241.379 0.393 20 0 BCADHO Cn1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000400935005 411163094 /nfs/dbraw/zinc/16/30/94/411163094.db2.gz KHIAOYCMXHXFPS-OUAUKWLOSA-N 1 3 235.335 0.293 20 0 BCADHO C[C@@H](C(=O)NC(C)(C)C)N1CCC(C[NH3+])CC1 ZINC000044514362 411137286 /nfs/dbraw/zinc/13/72/86/411137286.db2.gz UHSGCBKDTGYWKT-JTQLQIEISA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538983 411137573 /nfs/dbraw/zinc/13/75/73/411137573.db2.gz WRYCAMYTUFDAMG-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538983 411137574 /nfs/dbraw/zinc/13/75/74/411137574.db2.gz WRYCAMYTUFDAMG-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000659989626 411158690 /nfs/dbraw/zinc/15/86/90/411158690.db2.gz PWYUNFPPFUIAAB-CHWSQXEVSA-N 1 3 244.379 0.921 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000659989626 411158695 /nfs/dbraw/zinc/15/86/95/411158695.db2.gz PWYUNFPPFUIAAB-CHWSQXEVSA-N 1 3 244.379 0.921 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000309520344 411159614 /nfs/dbraw/zinc/15/96/14/411159614.db2.gz ZVVILCXIDXLPSM-UTLUCORTSA-N 1 3 213.325 0.167 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[NH2+]C1 ZINC000309544501 411169302 /nfs/dbraw/zinc/16/93/02/411169302.db2.gz ZFVPGBTUTIWAMC-YIBTVLSRSA-N 1 3 210.321 0.584 20 0 BCADHO NC1(C(=O)N[C@@H](C[NH3+])C2CC2)CC2(CCC2)C1 ZINC000659289571 411169399 /nfs/dbraw/zinc/16/93/99/411169399.db2.gz CURLSOUMGSAEJZ-JTQLQIEISA-N 1 3 237.347 0.502 20 0 BCADHO Cn1ccnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401105742 411176958 /nfs/dbraw/zinc/17/69/58/411176958.db2.gz FIKNENHUGJUAFV-GRYCIOLGSA-N 1 3 234.347 0.898 20 0 BCADHO C[C@@]1(C(=O)N2CCCNCC2)CCC[NH2+]C1 ZINC000062853863 411188259 /nfs/dbraw/zinc/18/82/59/411188259.db2.gz QPAIILWOGYPWAB-GFCCVEGCSA-N 1 3 225.336 0.198 20 0 BCADHO COCC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000656155199 411189414 /nfs/dbraw/zinc/18/94/14/411189414.db2.gz MAKYMWCHZIMJFL-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO CN(C)CCOCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657986215 411189997 /nfs/dbraw/zinc/18/99/97/411189997.db2.gz CZYCYOLXLUEHEJ-LBPRGKRZSA-N 1 3 242.363 0.866 20 0 BCADHO CN(C(=O)C1(N)CC2(CCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000659296741 411244527 /nfs/dbraw/zinc/24/45/27/411244527.db2.gz OSDWHEZLVCZPSV-SNVBAGLBSA-N 1 3 237.347 0.468 20 0 BCADHO CCc1nncn1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000656196788 411201973 /nfs/dbraw/zinc/20/19/73/411201973.db2.gz HIHJSKVHZZPCGL-QWRGUYRKSA-N 1 3 237.351 0.700 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000424190570 411245233 /nfs/dbraw/zinc/24/52/33/411245233.db2.gz MQXDMBXNQMVQDA-WHOHXGKFSA-N 1 3 237.347 0.182 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CCC(C)C ZINC000652337198 411203732 /nfs/dbraw/zinc/20/37/32/411203732.db2.gz RUOBEBXAQZQOFI-NSHDSACASA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)CCC(C)C ZINC000652337198 411203734 /nfs/dbraw/zinc/20/37/34/411203734.db2.gz RUOBEBXAQZQOFI-NSHDSACASA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)CCC(C)C ZINC000652337198 411203737 /nfs/dbraw/zinc/20/37/37/411203737.db2.gz RUOBEBXAQZQOFI-NSHDSACASA-N 1 3 202.342 0.935 20 0 BCADHO CCN(C[C@H]1CCOC1)C[C@](C)(O)C[NH2+]C ZINC000652337107 411204018 /nfs/dbraw/zinc/20/40/18/411204018.db2.gz KAPQFBITQONNRJ-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000656200032 411204356 /nfs/dbraw/zinc/20/43/56/411204356.db2.gz DUEFXVLWASTMMU-IMSYWVGJSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200032 411204359 /nfs/dbraw/zinc/20/43/59/411204359.db2.gz DUEFXVLWASTMMU-IMSYWVGJSA-N 1 3 211.309 0.110 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000335479367 411210791 /nfs/dbraw/zinc/21/07/91/411210791.db2.gz MXWZPFISUKZLDY-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000659293734 411214528 /nfs/dbraw/zinc/21/45/28/411214528.db2.gz GZCCBNUVWLEXCG-QWRGUYRKSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@H](N)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358541 411214843 /nfs/dbraw/zinc/21/48/43/411214843.db2.gz QDBSICUULLNIIR-ZJUUUORDSA-N 1 3 200.326 0.674 20 0 BCADHO CO[C@](C)(CO)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655785314 411226854 /nfs/dbraw/zinc/22/68/54/411226854.db2.gz LCYKFCIEQAMUJT-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO CO[C@](C)(CO)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655785314 411226858 /nfs/dbraw/zinc/22/68/58/411226858.db2.gz LCYKFCIEQAMUJT-WOPDTQHZSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@@H]([NH2+]C1COCCOC1)C1CCN(C)CC1 ZINC000310452381 411238134 /nfs/dbraw/zinc/23/81/34/411238134.db2.gz BXMFBTGNQGPLID-LLVKDONJSA-N 1 3 242.363 0.722 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000309409471 411242135 /nfs/dbraw/zinc/24/21/35/411242135.db2.gz IKJYCTXVZFAWPR-AEJSXWLSSA-N 1 3 213.325 0.226 20 0 BCADHO CCC[C@H](N)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000656467844 411279558 /nfs/dbraw/zinc/27/95/58/411279558.db2.gz GGSIBJINVPOCKX-IUCAKERBSA-N 1 3 209.297 0.612 20 0 BCADHO C[C@H]1CC[C@@H](CN(C)CCN2CC[NH2+]CC2)O1 ZINC000129383793 411280658 /nfs/dbraw/zinc/28/06/58/411280658.db2.gz YUQYMVZRTCEESC-STQMWFEESA-N 1 3 241.379 0.391 20 0 BCADHO C(C1CC1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000051889660 411284869 /nfs/dbraw/zinc/28/48/69/411284869.db2.gz IDBQOCVDWHVUBQ-ZDUSSCGKSA-N 1 3 223.364 0.624 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000659645639 411299321 /nfs/dbraw/zinc/29/93/21/411299321.db2.gz KLZSCQQPTWLYMF-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO NC1(C(=O)NCC2=CC[NH2+]CC2)CC2(CCC2)C1 ZINC000659306947 411303536 /nfs/dbraw/zinc/30/35/36/411303536.db2.gz JZSMAHWPKJZRQU-UHFFFAOYSA-N 1 3 249.358 0.684 20 0 BCADHO CN1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558996 411324572 /nfs/dbraw/zinc/32/45/72/411324572.db2.gz BSKDXALCLPVHSQ-QWHCGFSZSA-N 1 3 241.379 0.127 20 0 BCADHO CN1CCC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629558996 411324576 /nfs/dbraw/zinc/32/45/76/411324576.db2.gz BSKDXALCLPVHSQ-QWHCGFSZSA-N 1 3 241.379 0.127 20 0 BCADHO COC[C@@H](C)[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662156152 411368730 /nfs/dbraw/zinc/36/87/30/411368730.db2.gz KPOFJGJENQZGEU-DGCLKSJQSA-N 1 3 242.363 0.552 20 0 BCADHO C[C@@H](N)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000236626086 168179494 /nfs/dbraw/zinc/17/94/94/168179494.db2.gz AFWDSCPLULVMMK-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[N@@H+]1CC[C@]2(C1)CCCN(CCc1c[nH]nn1)C2 ZINC000660665840 411376760 /nfs/dbraw/zinc/37/67/60/411376760.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 1 3 249.362 0.765 20 0 BCADHO C[N@H+]1CC[C@]2(C1)CCCN(CCc1c[nH]nn1)C2 ZINC000660665840 411376763 /nfs/dbraw/zinc/37/67/63/411376763.db2.gz YDIXWTKQPXLLNT-ZDUSSCGKSA-N 1 3 249.362 0.765 20 0 BCADHO CN(CC[NH+](C)C)C(=O)CN1CCC(C)(C)C1 ZINC000654853123 411456481 /nfs/dbraw/zinc/45/64/81/411456481.db2.gz MWNDEHPAXHYMAB-UHFFFAOYSA-N 1 3 241.379 0.738 20 0 BCADHO CN(C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000069633405 411457389 /nfs/dbraw/zinc/45/73/89/411457389.db2.gz YQQDLIWUZFTBJP-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)([NH3+])CCC(=O)NCCN1CCCC1 ZINC000069633594 411457928 /nfs/dbraw/zinc/45/79/28/411457928.db2.gz KNDOJWXJUAIQIV-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)CN1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000055079561 411392514 /nfs/dbraw/zinc/39/25/14/411392514.db2.gz BYDBJBQKGZSOEL-ZDUSSCGKSA-N 1 3 225.380 0.870 20 0 BCADHO N[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)CC[C@H]1F ZINC000659389233 411410173 /nfs/dbraw/zinc/41/01/73/411410173.db2.gz QDZUOFGDZNJVSM-NXEZZACHSA-N 1 3 243.326 0.403 20 0 BCADHO CN(CCC[NH3+])C(=O)NC1CCN(C)CC1 ZINC000659426141 411414035 /nfs/dbraw/zinc/41/40/35/411414035.db2.gz SFRMGFWQKBXXMR-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000659450661 411416203 /nfs/dbraw/zinc/41/62/03/411416203.db2.gz DJXMSHPRQFLMLI-NXEZZACHSA-N 1 3 242.367 0.376 20 0 BCADHO C[C@@H](CNC(=O)N1CC2CC1(C[NH3+])C2)N(C)C ZINC000659501105 411423359 /nfs/dbraw/zinc/42/33/59/411423359.db2.gz JKUCZJBSYHDMLM-BMQDGWLCSA-N 1 3 240.351 0.069 20 0 BCADHO CCCN1CC[C@H](NC(=O)NCCC[NH3+])C1 ZINC000659510399 411425335 /nfs/dbraw/zinc/42/53/35/411425335.db2.gz ORSRYNMTPSKYGN-JTQLQIEISA-N 1 3 228.340 0.119 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC[C@H](C)C[NH3+])C1 ZINC000659525417 411428455 /nfs/dbraw/zinc/42/84/55/411428455.db2.gz GEAQCFRXBCFXTK-MNOVXSKESA-N 1 3 242.367 0.365 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000659544195 411432662 /nfs/dbraw/zinc/43/26/62/411432662.db2.gz QYVQZXZWNALZMO-DLRQAJBASA-N 1 3 240.351 0.285 20 0 BCADHO CCCNC(=O)[C@H]1CCCN(CCC[NH3+])C1 ZINC000414689702 411439843 /nfs/dbraw/zinc/43/98/43/411439843.db2.gz GNNTZWHFXLHYGD-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO CCCCNC(=O)[C@@H]1CCCN(CCC[NH3+])C1 ZINC000414689733 411439908 /nfs/dbraw/zinc/43/99/08/411439908.db2.gz GSRIEHMXSUBVGS-GFCCVEGCSA-N 1 3 241.379 0.964 20 0 BCADHO CN(CCC[NH3+])C(=O)N[C@H]1CCCN(C)C1 ZINC000659440447 411441691 /nfs/dbraw/zinc/44/16/91/411441691.db2.gz HNFJWEAGEUPVGZ-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCN1C ZINC000638536210 411472690 /nfs/dbraw/zinc/47/26/90/411472690.db2.gz HQTYLFSCPKIHEV-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](CCO)CC1CC1 ZINC000659857410 411480013 /nfs/dbraw/zinc/48/00/13/411480013.db2.gz KAYDFIJTMAMMSO-CYBMUJFWSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](CCO)CC1CC1 ZINC000659857410 411480015 /nfs/dbraw/zinc/48/00/15/411480015.db2.gz KAYDFIJTMAMMSO-CYBMUJFWSA-N 1 3 244.379 0.392 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])C1 ZINC000659529217 411486074 /nfs/dbraw/zinc/48/60/74/411486074.db2.gz APCMFEGNZWIHBA-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)CO1 ZINC000657437854 411510325 /nfs/dbraw/zinc/51/03/25/411510325.db2.gz LZTGIXDDXQGFPP-NWDGAFQWSA-N 1 3 230.352 0.722 20 0 BCADHO COC1(CNC2CC([NH+](C)C)C2)CCOCC1 ZINC000655792399 411515099 /nfs/dbraw/zinc/51/50/99/411515099.db2.gz OABDKTKJLIEORX-UHFFFAOYSA-N 1 3 242.363 0.864 20 0 BCADHO Cn1ccc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000655826982 411530044 /nfs/dbraw/zinc/53/00/44/411530044.db2.gz KYLWQGJTIQFROL-KLPPZKSPSA-N 1 3 222.336 0.850 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000040922632 170005850 /nfs/dbraw/zinc/00/58/50/170005850.db2.gz LYMHVJJMBBWVIB-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)N)C1 ZINC000040922632 170005852 /nfs/dbraw/zinc/00/58/52/170005852.db2.gz LYMHVJJMBBWVIB-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037643508 170006712 /nfs/dbraw/zinc/00/67/12/170006712.db2.gz JTIIIXKYYWMFHT-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000037643508 170006714 /nfs/dbraw/zinc/00/67/14/170006714.db2.gz JTIIIXKYYWMFHT-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310390155 170007412 /nfs/dbraw/zinc/00/74/12/170007412.db2.gz RKFWHDXNGZKLHX-DTWKUNHWSA-N 1 3 249.305 0.427 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC(F)F)C1 ZINC000310390155 170007413 /nfs/dbraw/zinc/00/74/13/170007413.db2.gz RKFWHDXNGZKLHX-DTWKUNHWSA-N 1 3 249.305 0.427 20 0 BCADHO CCNC(=O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000036794951 170088264 /nfs/dbraw/zinc/08/82/64/170088264.db2.gz BQPWJMTYJROLOE-WAAKLRNESA-N 1 3 239.363 0.726 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000358917512 170157891 /nfs/dbraw/zinc/15/78/91/170157891.db2.gz VDGQEIYXBQCRSB-WOPDTQHZSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000660739732 411620341 /nfs/dbraw/zinc/62/03/41/411620341.db2.gz YFLYZCLKIAJTAN-GRYCIOLGSA-N 1 3 230.352 0.143 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000660739732 411620342 /nfs/dbraw/zinc/62/03/42/411620342.db2.gz YFLYZCLKIAJTAN-GRYCIOLGSA-N 1 3 230.352 0.143 20 0 BCADHO C[NH2+]CCCNCc1nc2c(s1)CNCC2 ZINC000663494059 411673350 /nfs/dbraw/zinc/67/33/50/411673350.db2.gz LNWKVADGAINUPG-UHFFFAOYSA-N 1 3 240.376 0.488 20 0 BCADHO N[C@@H]1CN(CC2(C[NH3+])CC2)CC[C@H]1F ZINC000663505377 411686940 /nfs/dbraw/zinc/68/69/40/411686940.db2.gz KYKRNUAXMLUNIJ-RKDXNWHRSA-N 1 3 201.289 0.096 20 0 BCADHO CC(C)C[C@@H]([NH3+])CN1CCOC2(CNC2)C1 ZINC000663510128 411692766 /nfs/dbraw/zinc/69/27/66/411692766.db2.gz NQBYRTJHYIERJX-LLVKDONJSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)C[C@@H](C)[NH2+]1 ZINC000662242969 412036648 /nfs/dbraw/zinc/03/66/48/412036648.db2.gz FYSLNPKZPZQMHE-UTUOFQBUSA-N 1 3 239.363 0.190 20 0 BCADHO C[NH2+]CC1CCN([C@H]2CCCN(C)C2=O)CC1 ZINC000662244740 412041648 /nfs/dbraw/zinc/04/16/48/412041648.db2.gz GSFGVEUSNXHCPQ-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662245115 412042039 /nfs/dbraw/zinc/04/20/39/412042039.db2.gz KOEIUCSQBFPCBY-NWDGAFQWSA-N 1 3 239.363 0.191 20 0 BCADHO CN(C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CCCO1 ZINC000662248468 412045999 /nfs/dbraw/zinc/04/59/99/412045999.db2.gz CGQQAVDVMAKIRS-NWDGAFQWSA-N 1 3 240.347 0.618 20 0 BCADHO COC[C@H](CN[C@@](C)(C[NH3+])C1CC1)OC ZINC000662248038 412047097 /nfs/dbraw/zinc/04/70/97/412047097.db2.gz RFNZNEPKZJLPBZ-QWRGUYRKSA-N 1 3 216.325 0.365 20 0 BCADHO C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662255088 412048901 /nfs/dbraw/zinc/04/89/01/412048901.db2.gz OGBBCQBRIRIMII-QWRGUYRKSA-N 1 3 210.321 0.992 20 0 BCADHO C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662255088 412048902 /nfs/dbraw/zinc/04/89/02/412048902.db2.gz OGBBCQBRIRIMII-QWRGUYRKSA-N 1 3 210.321 0.992 20 0 BCADHO COC[C@H](CN1C[C@@H](C[NH3+])C[C@H]1C)OC ZINC000662265551 412057739 /nfs/dbraw/zinc/05/77/39/412057739.db2.gz QXKRMOIVGLMIMP-MXWKQRLJSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@@H](CN)C[C@H]1C)OC ZINC000662265551 412057741 /nfs/dbraw/zinc/05/77/41/412057741.db2.gz QXKRMOIVGLMIMP-MXWKQRLJSA-N 1 3 216.325 0.317 20 0 BCADHO COC[C@H](C[N@H+]1C[C@@H](CN)C[C@H]1C)OC ZINC000662265551 412057746 /nfs/dbraw/zinc/05/77/46/412057746.db2.gz QXKRMOIVGLMIMP-MXWKQRLJSA-N 1 3 216.325 0.317 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)[C@H](C)C[NH2+]1 ZINC000662274847 412067802 /nfs/dbraw/zinc/06/78/02/412067802.db2.gz NBMJHAPHQBYAFG-UTUOFQBUSA-N 1 3 239.363 0.190 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000353528472 171146022 /nfs/dbraw/zinc/14/60/22/171146022.db2.gz SWJNJNTVDGUZRU-WYUUTHIRSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000353458270 171146282 /nfs/dbraw/zinc/14/62/82/171146282.db2.gz IYRVKLMOWNDZBU-WYUUTHIRSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000353528471 171146723 /nfs/dbraw/zinc/14/67/23/171146723.db2.gz SWJNJNTVDGUZRU-USZNOCQGSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)N(C)C ZINC000353452798 171148562 /nfs/dbraw/zinc/14/85/62/171148562.db2.gz QZWHRXUPYZBDFL-DCAQKATOSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000353476119 171149276 /nfs/dbraw/zinc/14/92/76/171149276.db2.gz YLFZATRSEHQYNK-NEPJUHHUSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@H](CN1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662280692 412070723 /nfs/dbraw/zinc/07/07/23/412070723.db2.gz GYZWQTCKIMLPQY-CHWSQXEVSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@H](C[N@@H+]1CCCO[C@H](CN)C1)C1CCC1 ZINC000662280692 412070725 /nfs/dbraw/zinc/07/07/25/412070725.db2.gz GYZWQTCKIMLPQY-CHWSQXEVSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@H](C[N@H+]1CCCO[C@H](CN)C1)C1CCC1 ZINC000662280692 412070727 /nfs/dbraw/zinc/07/07/27/412070727.db2.gz GYZWQTCKIMLPQY-CHWSQXEVSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@@H](CN1CCCO[C@H](C[NH3+])C1)C1CCC1 ZINC000662280694 412071509 /nfs/dbraw/zinc/07/15/09/412071509.db2.gz GYZWQTCKIMLPQY-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@@H](C[N@@H+]1CCCO[C@H](CN)C1)C1CCC1 ZINC000662280694 412071511 /nfs/dbraw/zinc/07/15/11/412071511.db2.gz GYZWQTCKIMLPQY-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CO[C@@H](C[N@H+]1CCCO[C@H](CN)C1)C1CCC1 ZINC000662280694 412071514 /nfs/dbraw/zinc/07/15/14/412071514.db2.gz GYZWQTCKIMLPQY-OLZOCXBDSA-N 1 3 242.363 0.851 20 0 BCADHO CC[C@H](C(=O)N(C)C1CC[NH+](C)CC1)N(C)C ZINC000359252135 171221287 /nfs/dbraw/zinc/22/12/87/171221287.db2.gz PHCUADOSJNYNDR-GFCCVEGCSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N(C)C ZINC000366282032 171225117 /nfs/dbraw/zinc/22/51/17/171225117.db2.gz FCOANYIFZPERPB-IJLUTSLNSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)N(C)C ZINC000248587563 171225499 /nfs/dbraw/zinc/22/54/99/171225499.db2.gz GMTSEJAMHGJFDY-IRCOFANPSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)COCC[NH2+]C1(CO)CCNCC1 ZINC000662282886 412072740 /nfs/dbraw/zinc/07/27/40/412072740.db2.gz CXPUFZPBUSROOJ-UHFFFAOYSA-N 1 3 230.352 0.363 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000338189863 171229439 /nfs/dbraw/zinc/22/94/39/171229439.db2.gz HMLSWCODBZDXEM-VHSXEESVSA-N 1 3 215.341 0.393 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000338189861 171229883 /nfs/dbraw/zinc/22/98/83/171229883.db2.gz HMLSWCODBZDXEM-NXEZZACHSA-N 1 3 215.341 0.393 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCC2(CNC2)O1 ZINC000662283293 412075813 /nfs/dbraw/zinc/07/58/13/412075813.db2.gz HCJVMMTZUNCUHU-UTUOFQBUSA-N 1 3 239.363 0.319 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191328300 171369713 /nfs/dbraw/zinc/36/97/13/171369713.db2.gz XGCGMFLQBMKCAB-IVZWLZJFSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643466 171370806 /nfs/dbraw/zinc/37/08/06/171370806.db2.gz XNDBNJDIBYVZHK-SDDRHHMPSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643466 171370808 /nfs/dbraw/zinc/37/08/08/171370808.db2.gz XNDBNJDIBYVZHK-SDDRHHMPSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368210738 171371069 /nfs/dbraw/zinc/37/10/69/171371069.db2.gz DFXIQIIYFADJNW-HBNTYKKESA-N 1 3 239.363 0.618 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000337523733 171393970 /nfs/dbraw/zinc/39/39/70/171393970.db2.gz WXLJHZZXUSHCID-NAKRPEOUSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000365227455 171394447 /nfs/dbraw/zinc/39/44/47/171394447.db2.gz RTSHAIMCLOICPU-BJDJZHNGSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309395671 171394573 /nfs/dbraw/zinc/39/45/73/171394573.db2.gz GOAVCWCDUJQHFK-IUCAKERBSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCCC[C@H]1C ZINC000662386497 412140535 /nfs/dbraw/zinc/14/05/35/412140535.db2.gz BBJPZVZGALLNLK-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303111 412086093 /nfs/dbraw/zinc/08/60/93/412086093.db2.gz SQNRNDHRPQKCSU-FRRDWIJNSA-N 1 3 242.363 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303111 412086096 /nfs/dbraw/zinc/08/60/96/412086096.db2.gz SQNRNDHRPQKCSU-FRRDWIJNSA-N 1 3 242.363 0.315 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000662303111 412086098 /nfs/dbraw/zinc/08/60/98/412086098.db2.gz SQNRNDHRPQKCSU-FRRDWIJNSA-N 1 3 242.363 0.315 20 0 BCADHO COCC1(N(C)C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662299751 412086175 /nfs/dbraw/zinc/08/61/75/412086175.db2.gz WSYHPZDKBGCDDE-LLVKDONJSA-N 1 3 240.347 0.618 20 0 BCADHO CN(CCN1CC[NH2+]CC1)CC1=CCCOC1 ZINC000662306244 412090739 /nfs/dbraw/zinc/09/07/39/412090739.db2.gz PLRGBWNJYQURHK-UHFFFAOYSA-N 1 3 239.363 0.170 20 0 BCADHO CN(CCN1CC[NH2+]CC1)CC1=CCSC1 ZINC000662327743 412104574 /nfs/dbraw/zinc/10/45/74/412104574.db2.gz UNLJNVNNIUIALS-UHFFFAOYSA-N 1 3 241.404 0.497 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662338632 412108823 /nfs/dbraw/zinc/10/88/23/412108823.db2.gz NJFPMPOWAYQQTF-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC1CCN(C2CC2)CC1 ZINC000662365548 412126058 /nfs/dbraw/zinc/12/60/58/412126058.db2.gz UBGOCRFEKRFCQG-LBPRGKRZSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000662450734 412179472 /nfs/dbraw/zinc/17/94/72/412179472.db2.gz DNKIBMIVLAYNLI-LBPRGKRZSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H]1CCCCN1CC ZINC000662453966 412180963 /nfs/dbraw/zinc/18/09/63/412180963.db2.gz HCKPOKDXHKBQMI-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H]1CCCCN1CC ZINC000662453969 412181035 /nfs/dbraw/zinc/18/10/35/412181035.db2.gz HCKPOKDXHKBQMI-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCCN1CC ZINC000662453973 412181522 /nfs/dbraw/zinc/18/15/22/412181522.db2.gz HCKPOKDXHKBQMI-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000662462839 412182859 /nfs/dbraw/zinc/18/28/59/412182859.db2.gz OQNYNANNSDETFF-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665244059 412187292 /nfs/dbraw/zinc/18/72/92/412187292.db2.gz FSXANZXUBQVJPR-ZRUFSTJUSA-N 1 3 216.325 0.363 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000662474329 412187602 /nfs/dbraw/zinc/18/76/02/412187602.db2.gz ZAILDWFIQHJNQY-GARJFASQSA-N 1 3 227.352 0.535 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000662476185 412187974 /nfs/dbraw/zinc/18/79/74/412187974.db2.gz RILFEGRFEDBECX-AXFHLTTASA-N 1 3 227.352 0.583 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665245392 412188928 /nfs/dbraw/zinc/18/89/28/412188928.db2.gz HKHBKFNIGOXOLO-FDYHWXHSSA-N 1 3 242.363 0.768 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665245393 412189062 /nfs/dbraw/zinc/18/90/62/412189062.db2.gz HKHBKFNIGOXOLO-FVCCEPFGSA-N 1 3 242.363 0.768 20 0 BCADHO CCCN1CC[C@@H](N[C@@H](C)C2C[NH2+]C2)C1 ZINC000665274091 412214856 /nfs/dbraw/zinc/21/48/56/412214856.db2.gz JLPWNPAWDHDUST-CMPLNLGQSA-N 1 3 211.353 0.668 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000662486271 412190638 /nfs/dbraw/zinc/19/06/38/412190638.db2.gz WEDSCVGJNNKHSX-WOPDTQHZSA-N 1 3 239.363 0.680 20 0 BCADHO CCn1cc(CNC2CCC(C[NH3+])CC2)nn1 ZINC000665245842 412191216 /nfs/dbraw/zinc/19/12/16/412191216.db2.gz SHZFNYKXXZYCSW-UHFFFAOYSA-N 1 3 237.351 0.905 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000662498166 412196442 /nfs/dbraw/zinc/19/64/42/412196442.db2.gz PBBITJRCSBZPCK-USWWRNFRSA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](C)N1CCCC1 ZINC000662525394 412199517 /nfs/dbraw/zinc/19/95/17/412199517.db2.gz SAFNZBIRVJJDQH-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000662520269 412202801 /nfs/dbraw/zinc/20/28/01/412202801.db2.gz HAUYOVMXBLLNNQ-WDEREUQCSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](O)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665262139 412203595 /nfs/dbraw/zinc/20/35/95/412203595.db2.gz VDAWNOAPKRAMCT-FVCCEPFGSA-N 1 3 242.363 0.504 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662522740 412204159 /nfs/dbraw/zinc/20/41/59/412204159.db2.gz MVJNYJDDSXDTEU-QJPTWQEYSA-N 1 3 239.363 0.442 20 0 BCADHO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000665261958 412204750 /nfs/dbraw/zinc/20/47/50/412204750.db2.gz PMLPREZNXTZJHF-HBNTYKKESA-N 1 3 200.326 0.864 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000662540393 412209994 /nfs/dbraw/zinc/20/99/94/412209994.db2.gz WBFCWKRCTLOPQU-QWRGUYRKSA-N 1 3 239.363 0.726 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000662540394 412210383 /nfs/dbraw/zinc/21/03/83/412210383.db2.gz WBFCWKRCTLOPQU-WDEREUQCSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662548121 412211019 /nfs/dbraw/zinc/21/10/19/412211019.db2.gz BKGDVQIISKAONL-VIFPVBQESA-N 1 3 233.315 0.614 20 0 BCADHO C[NH2+]CCCNC(=O)C[C@H]1NCc2ccccc21 ZINC000662397322 412147161 /nfs/dbraw/zinc/14/71/61/412147161.db2.gz CRDOVOOBGXZXCX-CYBMUJFWSA-N 1 3 247.342 0.947 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)C1(NC2CC2)CCC1 ZINC000662410664 412154701 /nfs/dbraw/zinc/15/47/01/412154701.db2.gz CCZGFOYXXJGRCG-LLVKDONJSA-N 1 3 237.347 0.529 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)c1cccc2c1CNC2 ZINC000662418366 412159830 /nfs/dbraw/zinc/15/98/30/412159830.db2.gz SSGXDFUMGSXVOJ-SECBINFHSA-N 1 3 233.315 0.709 20 0 BCADHO COC1CC(CC[NH2+][C@H](C)C2CNC2)C1 ZINC000665230870 412167956 /nfs/dbraw/zinc/16/79/56/412167956.db2.gz XJZQLIHNTQCAEA-GRZMOONWSA-N 1 3 212.337 0.999 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000662678924 412268581 /nfs/dbraw/zinc/26/85/81/412268581.db2.gz KLQDMBQYHVVVDI-UTUOFQBUSA-N 1 3 241.379 0.973 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662685796 412270877 /nfs/dbraw/zinc/27/08/77/412270877.db2.gz XWEUEPRZMAAYHQ-IJLUTSLNSA-N 1 3 239.363 0.524 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662701747 412275805 /nfs/dbraw/zinc/27/58/05/412275805.db2.gz UWDMWCXBSKPXEB-GMTAPVOTSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)C(C)C ZINC000662722574 412282951 /nfs/dbraw/zinc/28/29/51/412282951.db2.gz ACVYUFOULHHPTM-ZJUUUORDSA-N 1 3 215.341 0.459 20 0 BCADHO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCN(C2CC2)C1 ZINC000662719954 412283369 /nfs/dbraw/zinc/28/33/69/412283369.db2.gz MWCHFRIWIQBTCT-CKYFFXLPSA-N 1 3 237.347 0.419 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)CN(C)C(C)C ZINC000662726851 412284744 /nfs/dbraw/zinc/28/47/44/412284744.db2.gz NVMSITGEEQAJDT-LLVKDONJSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H]([NH2+]CC12CC(C1)CN2)[C@H]1CCOC1 ZINC000665277504 412220283 /nfs/dbraw/zinc/22/02/83/412220283.db2.gz CUCLWIPLPFRPKU-ZYGVAYEYSA-N 1 3 210.321 0.753 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000662564446 412220337 /nfs/dbraw/zinc/22/03/37/412220337.db2.gz QMLAQKOJYOUHNU-JTQLQIEISA-N 1 3 215.341 0.618 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)CCC[NH3+] ZINC000662567578 412222188 /nfs/dbraw/zinc/22/21/88/412222188.db2.gz GPMBIQKBFNUWQH-SECBINFHSA-N 1 3 201.314 0.228 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)c1cccc2c1CNC2 ZINC000662566742 412222353 /nfs/dbraw/zinc/22/23/53/412222353.db2.gz QSRBBRUEGPPUPK-JTQLQIEISA-N 1 3 233.315 0.757 20 0 BCADHO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1 ZINC000662571505 412224173 /nfs/dbraw/zinc/22/41/73/412224173.db2.gz IEKJLVZJMCTVJZ-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589731 412232665 /nfs/dbraw/zinc/23/26/65/412232665.db2.gz CZCSHBHGPQIXIV-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589731 412232668 /nfs/dbraw/zinc/23/26/68/412232668.db2.gz CZCSHBHGPQIXIV-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592382 412234192 /nfs/dbraw/zinc/23/41/92/412234192.db2.gz FUGYABKEJUPCGC-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621533 412234327 /nfs/dbraw/zinc/23/43/27/412234327.db2.gz IXEHLSLVCRWSIQ-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621533 412234329 /nfs/dbraw/zinc/23/43/29/412234329.db2.gz IXEHLSLVCRWSIQ-RKDXNWHRSA-N 1 3 213.325 0.323 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)CC(F)F ZINC000662606041 412237973 /nfs/dbraw/zinc/23/79/73/412237973.db2.gz WHPNKQRCDZWTNO-ZCFIWIBFSA-N 1 3 223.267 0.165 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622317 412244195 /nfs/dbraw/zinc/24/41/95/412244195.db2.gz QKPUPFQIKBHSKI-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622317 412244200 /nfs/dbraw/zinc/24/42/00/412244200.db2.gz QKPUPFQIKBHSKI-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621529 412244725 /nfs/dbraw/zinc/24/47/25/412244725.db2.gz IXEHLSLVCRWSIQ-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621529 412244729 /nfs/dbraw/zinc/24/47/29/412244729.db2.gz IXEHLSLVCRWSIQ-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOCCF ZINC000665299355 412248263 /nfs/dbraw/zinc/24/82/63/412248263.db2.gz LJHXFUQWVORAIF-VHSXEESVSA-N 1 3 204.289 0.690 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CCOCCF ZINC000665299355 412248265 /nfs/dbraw/zinc/24/82/65/412248265.db2.gz LJHXFUQWVORAIF-VHSXEESVSA-N 1 3 204.289 0.690 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662629651 412248923 /nfs/dbraw/zinc/24/89/23/412248923.db2.gz AWLRUFBIOJGVHU-AXFHLTTASA-N 1 3 229.368 0.816 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662795122 412305151 /nfs/dbraw/zinc/30/51/51/412305151.db2.gz XAQWVDNWXXWZMI-BJDJZHNGSA-N 1 3 239.363 0.522 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@@H]2C1 ZINC000662806620 412307575 /nfs/dbraw/zinc/30/75/75/412307575.db2.gz SJMYKKQYBBYCML-DDHJBXDOSA-N 1 3 237.347 0.276 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)[C@H]2C1 ZINC000662806622 412307952 /nfs/dbraw/zinc/30/79/52/412307952.db2.gz SJMYKKQYBBYCML-KKOKHZNYSA-N 1 3 237.347 0.276 20 0 BCADHO CC[C@@H](NC)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000662815380 412308681 /nfs/dbraw/zinc/30/86/81/412308681.db2.gz DJGMZISLUFFUKI-NWDGAFQWSA-N 1 3 247.342 0.901 20 0 BCADHO CC(C)NCC(=O)NCCC[NH2+]C1CC1 ZINC000662822913 412311761 /nfs/dbraw/zinc/31/17/61/412311761.db2.gz FKLDCWRBMNUCCF-UHFFFAOYSA-N 1 3 213.325 0.243 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000662846065 412320141 /nfs/dbraw/zinc/32/01/41/412320141.db2.gz NNBBQLKDEMAOPZ-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000662846065 412320143 /nfs/dbraw/zinc/32/01/43/412320143.db2.gz NNBBQLKDEMAOPZ-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CCNC(=O)[C@@H]1CCCCN1)[NH+](C)C ZINC000662860374 412328384 /nfs/dbraw/zinc/32/83/84/412328384.db2.gz RIZXYWCUSAYDCJ-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663001682 412366997 /nfs/dbraw/zinc/36/69/97/412366997.db2.gz XPNNJAIVJOJJIL-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO CNCC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663001682 412366998 /nfs/dbraw/zinc/36/69/98/412366998.db2.gz XPNNJAIVJOJJIL-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C1(N)CCCCC1 ZINC000662954753 412353683 /nfs/dbraw/zinc/35/36/83/412353683.db2.gz YVOODMUDEJSYIA-SECBINFHSA-N 1 3 213.325 0.372 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C ZINC000662966392 412358332 /nfs/dbraw/zinc/35/83/32/412358332.db2.gz RBBACCSFIYRPHI-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662747286 412289721 /nfs/dbraw/zinc/28/97/21/412289721.db2.gz YZYWPXZIPVMLGK-BJDJZHNGSA-N 1 3 239.363 0.665 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662744603 412290181 /nfs/dbraw/zinc/29/01/81/412290181.db2.gz AEDPEUBHUJAANJ-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH+]1CCC(C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662749055 412291278 /nfs/dbraw/zinc/29/12/78/412291278.db2.gz JAMPBQVQXLUQIW-GHMZBOCLSA-N 1 3 243.326 0.226 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CN1C1CC1 ZINC000662754485 412291540 /nfs/dbraw/zinc/29/15/40/412291540.db2.gz PCYMLEPBLIOMRM-NAKRPEOUSA-N 1 3 237.347 0.465 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748468 412291848 /nfs/dbraw/zinc/29/18/48/412291848.db2.gz VMXWRVCFIUNJSV-NXEZZACHSA-N 1 3 231.315 0.226 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662748468 412291850 /nfs/dbraw/zinc/29/18/50/412291850.db2.gz VMXWRVCFIUNJSV-NXEZZACHSA-N 1 3 231.315 0.226 20 0 BCADHO C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@@H](C)CN1 ZINC000662764002 412295000 /nfs/dbraw/zinc/29/50/00/412295000.db2.gz HCLNZZJNDHHGJE-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNc1cnccn1 ZINC000422883180 412300403 /nfs/dbraw/zinc/30/04/03/412300403.db2.gz BUAFYRIKIQZVES-VXGBXAGGSA-N 1 3 249.362 0.996 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNc1cnccn1 ZINC000422883180 412300405 /nfs/dbraw/zinc/30/04/05/412300405.db2.gz BUAFYRIKIQZVES-VXGBXAGGSA-N 1 3 249.362 0.996 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)c1cccc2c1CCNC2 ZINC000662781559 412300645 /nfs/dbraw/zinc/30/06/45/412300645.db2.gz DCYOQSKLSHULOU-LLVKDONJSA-N 1 3 247.342 0.799 20 0 BCADHO CC1(C)CN(C(=O)CC2([NH3+])CC2)CCN1 ZINC000662782083 412300831 /nfs/dbraw/zinc/30/08/31/412300831.db2.gz AOSOWKZTSYQNJD-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CCCN(C)CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011297 412369750 /nfs/dbraw/zinc/36/97/50/412369750.db2.gz OUNGGUOSWCVGEF-LLVKDONJSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012787 412370588 /nfs/dbraw/zinc/37/05/88/412370588.db2.gz ZFRTVHFAXJNUKO-WZRBSPASSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012786 412370945 /nfs/dbraw/zinc/37/09/45/412370945.db2.gz ZFRTVHFAXJNUKO-NTZNESFSSA-N 1 3 239.363 0.727 20 0 BCADHO CN(C)C(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000037898076 172357412 /nfs/dbraw/zinc/35/74/12/172357412.db2.gz DZXSASTWFAXLLL-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@H](N)CC(F)F ZINC000309205964 172395468 /nfs/dbraw/zinc/39/54/68/172395468.db2.gz PXPAJWKOFYYPIW-SSDOTTSWSA-N 1 3 237.294 0.425 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000224049175 173030960 /nfs/dbraw/zinc/03/09/60/173030960.db2.gz VHXFTZUSRCDXNG-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CN1CCC[C@H](C[N@H+](C)C[C@@H]2COCCO2)C1 ZINC000336676051 173042531 /nfs/dbraw/zinc/04/25/31/173042531.db2.gz ALPNGXUVNOPNEL-QWHCGFSZSA-N 1 3 242.363 0.675 20 0 BCADHO CN1CCC[C@H](C[N@@H+](C)C[C@@H]2COCCO2)C1 ZINC000336676051 173042532 /nfs/dbraw/zinc/04/25/32/173042532.db2.gz ALPNGXUVNOPNEL-QWHCGFSZSA-N 1 3 242.363 0.675 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000044538870 173042711 /nfs/dbraw/zinc/04/27/11/173042711.db2.gz DUCWTLAITZXQCO-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)N)C1 ZINC000044538870 173042713 /nfs/dbraw/zinc/04/27/13/173042713.db2.gz DUCWTLAITZXQCO-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333755446 173052755 /nfs/dbraw/zinc/05/27/55/173052755.db2.gz AQDFJSTWGBRMMW-QWRGUYRKSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000333755449 173055721 /nfs/dbraw/zinc/05/57/21/173055721.db2.gz AQDFJSTWGBRMMW-WDEREUQCSA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000224046553 173057601 /nfs/dbraw/zinc/05/76/01/173057601.db2.gz QYAMNNVLVGAEPJ-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CN1CC[NH+](CCCNCc2ncc[nH]2)CC1 ZINC000049714670 173078377 /nfs/dbraw/zinc/07/83/77/173078377.db2.gz DYQZSZTYLGFRBJ-UHFFFAOYSA-N 1 3 237.351 0.137 20 0 BCADHO CN1CCN(CCOCC[NH3+])Cc2ccccc21 ZINC000357065401 173081531 /nfs/dbraw/zinc/08/15/31/173081531.db2.gz ADOPOWOYBCVBSS-UHFFFAOYSA-N 1 3 249.358 0.914 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000336358747 173141723 /nfs/dbraw/zinc/14/17/23/173141723.db2.gz JIBZJBNGOMPNRF-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336358747 173141725 /nfs/dbraw/zinc/14/17/25/173141725.db2.gz JIBZJBNGOMPNRF-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464042 173144937 /nfs/dbraw/zinc/14/49/37/173144937.db2.gz PBBMBDVLQNOLNX-NXEZZACHSA-N 1 3 227.352 0.428 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000040464042 173144940 /nfs/dbraw/zinc/14/49/40/173144940.db2.gz PBBMBDVLQNOLNX-NXEZZACHSA-N 1 3 227.352 0.428 20 0 BCADHO CN1CC[C@H]([NH2+]CCOCCO)[C@H]2CCC[C@H]21 ZINC000368609472 173151865 /nfs/dbraw/zinc/15/18/65/173151865.db2.gz YMXZYHZFCVVZSR-FRRDWIJNSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@@H+]1CC[C@H](NCCOCCO)[C@H]2CCC[C@H]21 ZINC000368609472 173151867 /nfs/dbraw/zinc/15/18/67/173151867.db2.gz YMXZYHZFCVVZSR-FRRDWIJNSA-N 1 3 242.363 0.458 20 0 BCADHO C[N@H+]1CC[C@H](NCCOCCO)[C@H]2CCC[C@H]21 ZINC000368609472 173151870 /nfs/dbraw/zinc/15/18/70/173151870.db2.gz YMXZYHZFCVVZSR-FRRDWIJNSA-N 1 3 242.363 0.458 20 0 BCADHO CN(C)C(=O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336450902 173168914 /nfs/dbraw/zinc/16/89/14/173168914.db2.gz IHFLTLGCOSEQEO-ZDUSSCGKSA-N 1 3 239.363 0.492 20 0 BCADHO CN(C)C(=O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336450902 173168916 /nfs/dbraw/zinc/16/89/16/173168916.db2.gz IHFLTLGCOSEQEO-ZDUSSCGKSA-N 1 3 239.363 0.492 20 0 BCADHO CN1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1=O ZINC000310126694 173195127 /nfs/dbraw/zinc/19/51/27/173195127.db2.gz GCQABGAGVMEWOW-RDFFEMEHSA-N 1 3 237.347 0.432 20 0 BCADHO CNC(=O)C[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000322991539 173280223 /nfs/dbraw/zinc/28/02/23/173280223.db2.gz CTBRJYNNKDRHNM-LLVKDONJSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000352687395 173280621 /nfs/dbraw/zinc/28/06/21/173280621.db2.gz WWXZXKOAWZVHDY-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[NH2+]CC(=O)NCCN1CCCC[C@@H]1C ZINC000237224153 173329401 /nfs/dbraw/zinc/32/94/01/173329401.db2.gz ITTYFNKFXQNPQI-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237273858 173332678 /nfs/dbraw/zinc/33/26/78/173332678.db2.gz QRTMGVRYNABFQP-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000357236263 173341752 /nfs/dbraw/zinc/34/17/52/173341752.db2.gz CLQZAKGSMHKXOP-ZJUUUORDSA-N 1 3 225.336 0.337 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000357240793 173341763 /nfs/dbraw/zinc/34/17/63/173341763.db2.gz KGAGLZQTBHDASP-ONGXEEELSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]CCCC(=O)N1CCCN(C)CC1 ZINC000037477633 173343757 /nfs/dbraw/zinc/34/37/57/173343757.db2.gz VZKYQOJNNKUHJG-UHFFFAOYSA-N 1 3 213.325 0.150 20 0 BCADHO C[NH2+]CCCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973214 173343810 /nfs/dbraw/zinc/34/38/10/173343810.db2.gz QRHMJFHBDYNZTA-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000237206000 173344331 /nfs/dbraw/zinc/34/43/31/173344331.db2.gz IQJZOSRFTMQQPE-WDEREUQCSA-N 1 3 239.363 0.727 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000124633553 173346267 /nfs/dbraw/zinc/34/62/67/173346267.db2.gz VHPJCCWXFXVRPV-ZDUSSCGKSA-N 1 3 249.358 0.797 20 0 BCADHO C[NH2+]CCN(C)C(=O)C1(N)CCCCC1 ZINC000069803267 173351425 /nfs/dbraw/zinc/35/14/25/173351425.db2.gz ZPLCTKFXBCIUNV-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC000237311910 173351749 /nfs/dbraw/zinc/35/17/49/173351749.db2.gz ZYMJOWHDMMJERY-JTQLQIEISA-N 1 3 215.341 0.250 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237061026 173355316 /nfs/dbraw/zinc/35/53/16/173355316.db2.gz JTFUEIARPKWILN-CMPLNLGQSA-N 1 3 235.331 0.658 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)C(C)(C)C ZINC000237313944 173364303 /nfs/dbraw/zinc/36/43/03/173364303.db2.gz LQLPHKHXMGKANV-BDAKNGLRSA-N 1 3 215.341 0.332 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC000237084319 173368833 /nfs/dbraw/zinc/36/88/33/173368833.db2.gz SAEVTOMLIWUTPL-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+]C[C@H]1CCCN(CC(C)(C)O)C1 ZINC000040601599 173378886 /nfs/dbraw/zinc/37/88/86/173378886.db2.gz RCBHVEPHVSNTLD-SNVBAGLBSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000336269222 173380582 /nfs/dbraw/zinc/38/05/82/173380582.db2.gz SQFGUYKMXWHESY-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000294733960 173435405 /nfs/dbraw/zinc/43/54/05/173435405.db2.gz JDLLKSHZFLITMF-CHWSQXEVSA-N 1 3 247.342 0.549 20 0 BCADHO COCCCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309037635 174179576 /nfs/dbraw/zinc/17/95/76/174179576.db2.gz JDPCAFKVLZJVOZ-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO COCCCN(CCOC)C[C@H]1CCC[NH2+]C1 ZINC000042425403 174223319 /nfs/dbraw/zinc/22/33/19/174223319.db2.gz RDKXGNVTICUGCW-ZDUSSCGKSA-N 1 3 244.379 0.971 20 0 BCADHO COCCNCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237138853 174330254 /nfs/dbraw/zinc/33/02/54/174330254.db2.gz SNSPVGNPGOTIFV-LLVKDONJSA-N 1 3 245.367 0.054 20 0 BCADHO COCCOCCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000122324074 174354563 /nfs/dbraw/zinc/35/45/63/174354563.db2.gz VAPYMSDQXMMPJF-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO COCC[C@@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000302682268 174378754 /nfs/dbraw/zinc/37/87/54/174378754.db2.gz QKDCDAFCQIHTHV-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CCOC[C@H]1C ZINC000383496485 487629766 /nfs/dbraw/zinc/62/97/66/487629766.db2.gz DGCZBFUVMBIEGR-UPJWGTAASA-N 1 3 244.379 0.702 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CCOC[C@H]1C ZINC000383496485 487629771 /nfs/dbraw/zinc/62/97/71/487629771.db2.gz DGCZBFUVMBIEGR-UPJWGTAASA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334146695 175795160 /nfs/dbraw/zinc/79/51/60/175795160.db2.gz CKNOLKRYKWPDRH-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000237678190 176071809 /nfs/dbraw/zinc/07/18/09/176071809.db2.gz BYHFSAHWZBPQAD-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCC[N@H+](CCNC(=O)C2(N)CC2)C1 ZINC000237539411 176097665 /nfs/dbraw/zinc/09/76/65/176097665.db2.gz VCGHZLQITYKZBF-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCNC(=O)C2(N)CC2)C1 ZINC000237539411 176097666 /nfs/dbraw/zinc/09/76/66/176097666.db2.gz VCGHZLQITYKZBF-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000249133982 176098449 /nfs/dbraw/zinc/09/84/49/176098449.db2.gz YKMNVTKAWBMLKZ-IJLUTSLNSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127107904 176187302 /nfs/dbraw/zinc/18/73/02/176187302.db2.gz JMQVVGKPGUMSQK-YYJSSNLHSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000333668325 176252423 /nfs/dbraw/zinc/25/24/23/176252423.db2.gz MRBATDPEVOPWOL-GMTAPVOTSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CCN1 ZINC000131879624 176254030 /nfs/dbraw/zinc/25/40/30/176254030.db2.gz KPBCFWZXIZCSBO-YPMHNXCESA-N 1 3 247.342 0.377 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)CN1 ZINC000356392449 176255426 /nfs/dbraw/zinc/25/54/26/176255426.db2.gz QLBZGAMJKGFWJE-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCN1CCC1 ZINC000309162414 176270234 /nfs/dbraw/zinc/27/02/34/176270234.db2.gz ZOOGRNHAXVAKBR-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCN1CCC1 ZINC000309162414 176270236 /nfs/dbraw/zinc/27/02/36/176270236.db2.gz ZOOGRNHAXVAKBR-VXGBXAGGSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000362740280 176275972 /nfs/dbraw/zinc/27/59/72/176275972.db2.gz HXWWWPLYMZSOIC-IJLUTSLNSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H](N(C)C)C1 ZINC000362740280 176275974 /nfs/dbraw/zinc/27/59/74/176275974.db2.gz HXWWWPLYMZSOIC-IJLUTSLNSA-N 1 3 239.363 0.347 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCOCCO ZINC000036908376 176278259 /nfs/dbraw/zinc/27/82/59/176278259.db2.gz AUILJWBNYPIDRC-IJLUTSLNSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCOCCO ZINC000036908376 176278261 /nfs/dbraw/zinc/27/82/61/176278261.db2.gz AUILJWBNYPIDRC-IJLUTSLNSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCn1cncn1 ZINC000358081093 176279203 /nfs/dbraw/zinc/27/92/03/176279203.db2.gz KNTBZNXPSNHCEC-IJLUTSLNSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCn1cncn1 ZINC000358081093 176279204 /nfs/dbraw/zinc/27/92/04/176279204.db2.gz KNTBZNXPSNHCEC-IJLUTSLNSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COCCO1 ZINC000038060880 176280288 /nfs/dbraw/zinc/28/02/88/176280288.db2.gz KMEHOFPZBWQXGE-FDYHWXHSSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1COCCO1 ZINC000038060880 176280289 /nfs/dbraw/zinc/28/02/89/176280289.db2.gz KMEHOFPZBWQXGE-FDYHWXHSSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1([NH3+])CCC1 ZINC000336213352 176281225 /nfs/dbraw/zinc/28/12/25/176281225.db2.gz NRHZXORENDBSKJ-MWLCHTKSSA-N 1 3 237.347 0.467 20 0 BCADHO C[C@@H]1COCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000354409880 176344363 /nfs/dbraw/zinc/34/43/63/176344363.db2.gz LVCBTYJFRDQPTB-VXGBXAGGSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC[NH3+])CN1C1CC1 ZINC000237507138 176373221 /nfs/dbraw/zinc/37/32/21/176373221.db2.gz KMUMTAGCFPKNHL-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000246240264 176373446 /nfs/dbraw/zinc/37/34/46/176373446.db2.gz IRJGTILJGFOWAD-CKYFFXLPSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CCC2)CC[N@@H+]1C ZINC000309098290 176375214 /nfs/dbraw/zinc/37/52/14/176375214.db2.gz DOYRWRDJQGZENF-NEPJUHHUSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CCC2)CC[N@H+]1C ZINC000309098290 176375216 /nfs/dbraw/zinc/37/52/16/176375216.db2.gz DOYRWRDJQGZENF-NEPJUHHUSA-N 1 3 211.353 0.764 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000248506319 176769628 /nfs/dbraw/zinc/76/96/28/176769628.db2.gz WQRGMYSFOKCPHJ-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)CN ZINC000077302143 177039472 /nfs/dbraw/zinc/03/94/72/177039472.db2.gz SUZKZFIPYJKDMC-ZYHUDNBSSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)CN ZINC000077302143 177039473 /nfs/dbraw/zinc/03/94/73/177039473.db2.gz SUZKZFIPYJKDMC-ZYHUDNBSSA-N 1 3 208.305 0.999 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN ZINC000019471022 177075347 /nfs/dbraw/zinc/07/53/47/177075347.db2.gz BHJJZDCIMMNNJI-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN ZINC000019471022 177075348 /nfs/dbraw/zinc/07/53/48/177075348.db2.gz BHJJZDCIMMNNJI-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO C[C@H]1CCCN(C(C)(C)CNC(N)=[NH2+])C1 ZINC000303253939 177096163 /nfs/dbraw/zinc/09/61/63/177096163.db2.gz DMLPRDIUXLORBG-VIFPVBQESA-N 1 3 212.341 0.980 20 0 BCADHO C[C@H]1CCCN(CCNC(=O)CCC[NH3+])C1 ZINC000237575064 177097923 /nfs/dbraw/zinc/09/79/23/177097923.db2.gz NRTRYSGCMVDPFZ-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336343914 177156758 /nfs/dbraw/zinc/15/67/58/177156758.db2.gz CWGFRCYRYGTVBG-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000336343914 177156760 /nfs/dbraw/zinc/15/67/60/177156760.db2.gz CWGFRCYRYGTVBG-NWDGAFQWSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCCC1 ZINC000186836644 177174157 /nfs/dbraw/zinc/17/41/57/177174157.db2.gz RRSNQJGBDHOSEU-UWVGGRQHSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NC2CCC([NH3+])CC2)C1 ZINC000127108123 177175217 /nfs/dbraw/zinc/17/52/17/177175217.db2.gz JMQVVGKPGUMSQK-XKGSQUFQSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)NCCN(C)C2CC2)C1 ZINC000127159079 177175379 /nfs/dbraw/zinc/17/53/79/177175379.db2.gz SJBLJAHBVNDXMC-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC([NH3+])CC1 ZINC000336515131 177199478 /nfs/dbraw/zinc/19/94/78/177199478.db2.gz JWSJYDGNHHBNSC-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H]1CN(C(=O)C2(N)CCCCC2)CC[C@@H]1[NH3+] ZINC000336302901 177212538 /nfs/dbraw/zinc/21/25/38/177212538.db2.gz BFTIBPHEIMEZOA-QWRGUYRKSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C[NH2+]CC1CC1 ZINC000356371366 177216295 /nfs/dbraw/zinc/21/62/95/177216295.db2.gz GPNXJZVILREXQI-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000352483115 177308230 /nfs/dbraw/zinc/30/82/30/177308230.db2.gz YFZUQSKEEZXEPE-TUAOUCFPSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000352483115 177308232 /nfs/dbraw/zinc/30/82/32/177308232.db2.gz YFZUQSKEEZXEPE-TUAOUCFPSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@@H+]1C ZINC000237638562 177325722 /nfs/dbraw/zinc/32/57/22/177325722.db2.gz QJGNEKICBIXYTA-UWVGGRQHSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)N)CC[N@H+]1C ZINC000237638562 177325723 /nfs/dbraw/zinc/32/57/23/177325723.db2.gz QJGNEKICBIXYTA-UWVGGRQHSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000237443832 177326123 /nfs/dbraw/zinc/32/61/23/177326123.db2.gz BUSXAUUSPSUJSC-AEJSXWLSSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000237443832 177326124 /nfs/dbraw/zinc/32/61/24/177326124.db2.gz BUSXAUUSPSUJSC-AEJSXWLSSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC[NH3+])CN1C1CC1 ZINC000237540049 177328509 /nfs/dbraw/zinc/32/85/09/177328509.db2.gz KMUMTAGCFPKNHL-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000226864114 177329784 /nfs/dbraw/zinc/32/97/84/177329784.db2.gz MSNJCURMHZQZBY-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CCO1 ZINC000359322370 177331459 /nfs/dbraw/zinc/33/14/59/177331459.db2.gz MXUZCVLYVGGUDQ-RYUDHWBXSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCn1cncn1 ZINC000358081092 177331613 /nfs/dbraw/zinc/33/16/13/177331613.db2.gz KNTBZNXPSNHCEC-GRYCIOLGSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCn1cncn1 ZINC000358081092 177331615 /nfs/dbraw/zinc/33/16/15/177331615.db2.gz KNTBZNXPSNHCEC-GRYCIOLGSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCNCC1 ZINC000333735178 177395544 /nfs/dbraw/zinc/39/55/44/177395544.db2.gz WUWOQYUOIDOJMP-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO C[NH+](C)C/C=C\C(=O)NCCN1CCCCC1 ZINC000491625468 225712448 /nfs/dbraw/zinc/71/24/48/225712448.db2.gz CJJYRYCGTSQZHM-SREVYHEPSA-N 1 3 239.363 0.706 20 0 BCADHO CN(C)C/C=C\C(=O)NC1(C[NH+](C)C)CCC1 ZINC000492598999 226024673 /nfs/dbraw/zinc/02/46/73/226024673.db2.gz WPFIKCFJMJRLOQ-ALCCZGGFSA-N 1 3 239.363 0.705 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)/C=C\C[NH+](C)C ZINC000493172122 226145699 /nfs/dbraw/zinc/14/56/99/226145699.db2.gz PGNQEPCXNJJDIQ-VFFGBVLKSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000493172122 226145702 /nfs/dbraw/zinc/14/57/02/226145702.db2.gz PGNQEPCXNJJDIQ-VFFGBVLKSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000493172122 226145705 /nfs/dbraw/zinc/14/57/05/226145705.db2.gz PGNQEPCXNJJDIQ-VFFGBVLKSA-N 1 3 239.363 0.657 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)/C=C/C[NH+](C)C ZINC000493172124 226145844 /nfs/dbraw/zinc/14/58/44/226145844.db2.gz PGNQEPCXNJJDIQ-WMADIVHISA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000493172124 226145845 /nfs/dbraw/zinc/14/58/45/226145845.db2.gz PGNQEPCXNJJDIQ-WMADIVHISA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000493172124 226145849 /nfs/dbraw/zinc/14/58/49/226145849.db2.gz PGNQEPCXNJJDIQ-WMADIVHISA-N 1 3 239.363 0.657 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000493900430 226259019 /nfs/dbraw/zinc/25/90/19/226259019.db2.gz LYTXZHCGHVXMCU-GMOBBJLQSA-N 1 3 239.363 0.569 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CCCCC[C@H]1CO ZINC000383660676 487658970 /nfs/dbraw/zinc/65/89/70/487658970.db2.gz LNBVKDSQKRLDGS-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CCCCC[C@H]1CO ZINC000383660676 487658972 /nfs/dbraw/zinc/65/89/72/487658972.db2.gz LNBVKDSQKRLDGS-QWHCGFSZSA-N 1 3 244.379 0.536 20 0 BCADHO O[C@H](CNC[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668889 487677342 /nfs/dbraw/zinc/67/73/42/487677342.db2.gz XGPHQUFGAHYQST-NEPJUHHUSA-N 1 3 244.404 0.928 20 0 BCADHO [NH3+]CCCN[C@H]1COc2ccccc2C1 ZINC000328497092 487699950 /nfs/dbraw/zinc/69/99/50/487699950.db2.gz VHNSVLWOISGFBC-LLVKDONJSA-N 1 3 206.289 0.929 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000178826424 487702343 /nfs/dbraw/zinc/70/23/43/487702343.db2.gz APSLVNLQLQVKIE-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000178826406 487702404 /nfs/dbraw/zinc/70/24/04/487702404.db2.gz APSLVNLQLQVKIE-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO NC(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000353425862 487704111 /nfs/dbraw/zinc/70/41/11/487704111.db2.gz IAOBQRGMFOUICF-VQVTYTSYSA-N 1 3 239.241 0.262 20 0 BCADHO CN1CCC[C@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000669403053 487705961 /nfs/dbraw/zinc/70/59/61/487705961.db2.gz HCACJEJXTAXNNC-JTQLQIEISA-N 1 3 240.351 0.261 20 0 BCADHO O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCCCN1 ZINC000033792075 487706898 /nfs/dbraw/zinc/70/68/98/487706898.db2.gz OHMZVNUOFZJEOH-QWRGUYRKSA-N 1 3 225.336 0.387 20 0 BCADHO O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCCCN1 ZINC000033792077 487707333 /nfs/dbraw/zinc/70/73/33/487707333.db2.gz OHMZVNUOFZJEOH-WDEREUQCSA-N 1 3 225.336 0.387 20 0 BCADHO C[NH+](C)CCCN[C@@H]1CCCNC(=O)C1 ZINC000082667160 487713257 /nfs/dbraw/zinc/71/32/57/487713257.db2.gz PRTFFSRCZXGGQW-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CCN(CCO)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000681108862 487728249 /nfs/dbraw/zinc/72/82/49/487728249.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000681108862 487728254 /nfs/dbraw/zinc/72/82/54/487728254.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 1 3 243.395 0.373 20 0 BCADHO CCN(CCO)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000681108862 487728261 /nfs/dbraw/zinc/72/82/61/487728261.db2.gz NHUZSIYEBQYOEM-QWHCGFSZSA-N 1 3 243.395 0.373 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000226394228 487730325 /nfs/dbraw/zinc/73/03/25/487730325.db2.gz OGLVTAHWERCLCI-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CCN(CCNC(=O)C[C@H](C)[NH3+])C1CC1 ZINC000226398115 487731205 /nfs/dbraw/zinc/73/12/05/487731205.db2.gz HMEZVOKSHNFCRV-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CN1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082772386 487731419 /nfs/dbraw/zinc/73/14/19/487731419.db2.gz BIQOKXUDSIOITM-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](C)O)C1 ZINC000076453494 487741719 /nfs/dbraw/zinc/74/17/19/487741719.db2.gz RXFYIRWIPGXFBJ-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](C)O)C1 ZINC000076453494 487741724 /nfs/dbraw/zinc/74/17/24/487741724.db2.gz RXFYIRWIPGXFBJ-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC000076453494 487741730 /nfs/dbraw/zinc/74/17/30/487741730.db2.gz RXFYIRWIPGXFBJ-MNOVXSKESA-N 1 3 200.326 0.689 20 0 BCADHO CC(=O)NCC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000226437093 487745121 /nfs/dbraw/zinc/74/51/21/487745121.db2.gz KGXCWWPMQORPAS-ZDUSSCGKSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H](CNC(=S)NCCC[NH+](C)C)N(C)C ZINC000840808845 585045677 /nfs/dbraw/zinc/04/56/77/585045677.db2.gz GCKJFWQAVVGBCZ-JTQLQIEISA-N 1 3 246.424 0.352 20 0 BCADHO CC[C@@H]1C[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000233953067 487754574 /nfs/dbraw/zinc/75/45/74/487754574.db2.gz PXZUCGYICIDGIM-IJLUTSLNSA-N 1 3 212.337 0.831 20 0 BCADHO CC(=O)N1CCC(N[C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000401724162 487763356 /nfs/dbraw/zinc/76/33/56/487763356.db2.gz KUGDDPOLOYFDLV-GWCFXTLKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506567 487764795 /nfs/dbraw/zinc/76/47/95/487764795.db2.gz WUVMGXKEPOHICJ-RKDXNWHRSA-N 1 3 211.309 0.125 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C[C@H](N)c1ccccc1 ZINC000662964459 487772455 /nfs/dbraw/zinc/77/24/55/487772455.db2.gz BMYDBRIWFIMMHP-JQWIXIFHSA-N 1 3 235.331 0.801 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000662965755 487774800 /nfs/dbraw/zinc/77/48/00/487774800.db2.gz NEPRDUFPRDXPLS-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156151102 487819395 /nfs/dbraw/zinc/81/93/95/487819395.db2.gz CJBNMXFCDQRIMV-UTUOFQBUSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH3+])N(CC)CC ZINC000877102166 590283115 /nfs/dbraw/zinc/28/31/15/590283115.db2.gz ASFKNQIASHCBKW-MNOVXSKESA-N 1 3 229.368 0.912 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373044009 487856592 /nfs/dbraw/zinc/85/65/92/487856592.db2.gz RWVOHIQVKYIYEI-WOPDTQHZSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000569603563 322972404 /nfs/dbraw/zinc/97/24/04/322972404.db2.gz RJSASJYUNOAJFW-MXWKQRLJSA-N 1 3 227.352 0.617 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111825749 487891828 /nfs/dbraw/zinc/89/18/28/487891828.db2.gz OPKNAKVJRNXKJA-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CCCNC(=O)C2)C1 ZINC000111825749 487891836 /nfs/dbraw/zinc/89/18/36/487891836.db2.gz OPKNAKVJRNXKJA-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@@H]2CCCNC(=O)C2)C1 ZINC000111825749 487891844 /nfs/dbraw/zinc/89/18/44/487891844.db2.gz OPKNAKVJRNXKJA-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C2CC[NH2+]CC2)CCN1 ZINC000083367385 487904892 /nfs/dbraw/zinc/90/48/92/487904892.db2.gz BGOHMGFSIFYEPP-GFCCVEGCSA-N 1 3 239.363 0.442 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000157727147 487919025 /nfs/dbraw/zinc/91/90/25/487919025.db2.gz IEVOZWRWVGXTGM-WDEREUQCSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000157727147 487919028 /nfs/dbraw/zinc/91/90/28/487919028.db2.gz IEVOZWRWVGXTGM-WDEREUQCSA-N 1 3 237.347 0.611 20 0 BCADHO COC[C@@H](C)C[NH2+][C@@H]1CCNC1(C)C ZINC000666966094 487919850 /nfs/dbraw/zinc/91/98/50/487919850.db2.gz KPYXYSQSIVWPSS-VHSXEESVSA-N 1 3 200.326 0.999 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669474605 487937431 /nfs/dbraw/zinc/93/74/31/487937431.db2.gz ICEMYSMQWJPPKY-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659556362 487939328 /nfs/dbraw/zinc/93/93/28/487939328.db2.gz RWHALNAKXNFBFC-AXTSPUMRSA-N 1 3 246.330 0.193 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000569482551 322967602 /nfs/dbraw/zinc/96/76/02/322967602.db2.gz MVZKNDOIDWYQSV-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1C[C@@H](C)N(CCn2cncn2)C[C@H]1C[NH3+] ZINC000397479752 323017719 /nfs/dbraw/zinc/01/77/19/323017719.db2.gz LLDICWZQRXVMEI-IJLUTSLNSA-N 1 3 237.351 0.583 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000566859325 323020403 /nfs/dbraw/zinc/02/04/03/323020403.db2.gz TXUHRYSXDXRSNN-BIIVOSGPSA-N 1 3 201.314 0.212 20 0 BCADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000397489214 323021306 /nfs/dbraw/zinc/02/13/06/323021306.db2.gz YFHPTMYRXFFLMR-GRYCIOLGSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N(C)C)C[C@H]1CN ZINC000397489214 323021307 /nfs/dbraw/zinc/02/13/07/323021307.db2.gz YFHPTMYRXFFLMR-GRYCIOLGSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1C[C@H](C)N(CCC(=O)N(C)C)C[C@H]1C[NH3+] ZINC000397489214 323021308 /nfs/dbraw/zinc/02/13/08/323021308.db2.gz YFHPTMYRXFFLMR-GRYCIOLGSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000562809422 323031184 /nfs/dbraw/zinc/03/11/84/323031184.db2.gz UTLIPHAUHYGJBQ-MMWGEVLESA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000562809423 323031211 /nfs/dbraw/zinc/03/12/11/323031211.db2.gz UTLIPHAUHYGJBQ-NAKRPEOUSA-N 1 3 225.336 0.193 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000562809424 323031273 /nfs/dbraw/zinc/03/12/73/323031273.db2.gz UTLIPHAUHYGJBQ-RCWTZXSCSA-N 1 3 225.336 0.193 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000569693247 323037148 /nfs/dbraw/zinc/03/71/48/323037148.db2.gz ZUSBUZASAPSAIR-QJPTWQEYSA-N 1 3 239.363 0.474 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CCNC[C@@H]1C(F)F ZINC000569724521 323038935 /nfs/dbraw/zinc/03/89/35/323038935.db2.gz VJPZIBOGYLWBLC-VHSXEESVSA-N 1 3 235.322 0.899 20 0 BCADHO C[C@@H]1CN(CCN[C@](C)(C[NH3+])C2CC2)CCO1 ZINC000570046105 323048445 /nfs/dbraw/zinc/04/84/45/323048445.db2.gz QTNKTEZTUJOPAG-DGCLKSJQSA-N 1 3 241.379 0.424 20 0 BCADHO COC[C@@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000570201738 323052534 /nfs/dbraw/zinc/05/25/34/323052534.db2.gz FLVBJOJTRKIGDK-MNOVXSKESA-N 1 3 232.368 0.560 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570448568 323059734 /nfs/dbraw/zinc/05/97/34/323059734.db2.gz JSLZGHUBMYTUJT-HBNTYKKESA-N 1 3 237.347 0.195 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000570635789 323065526 /nfs/dbraw/zinc/06/55/26/323065526.db2.gz WKMILBXVHYCZEJ-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000570684000 323067137 /nfs/dbraw/zinc/06/71/37/323067137.db2.gz UUQJVPNMKGOIBK-SSDOTTSWSA-N 1 3 237.294 0.603 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000570802375 323070916 /nfs/dbraw/zinc/07/09/16/323070916.db2.gz MORBEUAQNNISCE-DCAQKATOSA-N 1 3 243.351 0.079 20 0 BCADHO NCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000570928348 323074508 /nfs/dbraw/zinc/07/45/08/323074508.db2.gz GFQTZMGIKUAUCS-UHFFFAOYSA-N 1 3 221.260 0.066 20 0 BCADHO [NH3+]CCOc1ccc(NC(=O)[C@H]2CCN2)cc1 ZINC000562972157 323077574 /nfs/dbraw/zinc/07/75/74/323077574.db2.gz IBRZZKAMCJJNKA-LLVKDONJSA-N 1 3 235.287 0.325 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000563086892 323090660 /nfs/dbraw/zinc/09/06/60/323090660.db2.gz VBZYPGDHYVAGJH-QJPTWQEYSA-N 1 3 239.363 0.395 20 0 BCADHO NC1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCC1 ZINC000563100446 323092470 /nfs/dbraw/zinc/09/24/70/323092470.db2.gz RKBFHJAPNWFFSC-SNVBAGLBSA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000563108934 323092868 /nfs/dbraw/zinc/09/28/68/323092868.db2.gz QZBPYAQKJKSJEG-JOYOIKCWSA-N 1 3 225.336 0.324 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000563109160 323093065 /nfs/dbraw/zinc/09/30/65/323093065.db2.gz ZMFXUZICBYECDK-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563209687 323102019 /nfs/dbraw/zinc/10/20/19/323102019.db2.gz WKMILBXVHYCZEJ-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624381 323109321 /nfs/dbraw/zinc/10/93/21/323109321.db2.gz QNVKRXAFSLDOOI-VXGBXAGGSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040624381 323109322 /nfs/dbraw/zinc/10/93/22/323109322.db2.gz QNVKRXAFSLDOOI-VXGBXAGGSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563339294 323119072 /nfs/dbraw/zinc/11/90/72/323119072.db2.gz RAKBZCVKFWUAHE-JQWIXIFHSA-N 1 3 241.379 0.947 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000563529171 323129158 /nfs/dbraw/zinc/12/91/58/323129158.db2.gz RLNIKHJEYNPKBG-JHJVBQTASA-N 1 3 244.379 0.846 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000563529171 323129159 /nfs/dbraw/zinc/12/91/59/323129159.db2.gz RLNIKHJEYNPKBG-JHJVBQTASA-N 1 3 244.379 0.846 20 0 BCADHO C[NH+](C)Cc1cccc(CNCCC(N)=O)c1 ZINC000567160473 323133735 /nfs/dbraw/zinc/13/37/35/323133735.db2.gz KVKFWCLISKVTBH-UHFFFAOYSA-N 1 3 235.331 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000571080733 323135001 /nfs/dbraw/zinc/13/50/01/323135001.db2.gz CTODWBIGLVNCJJ-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000571165685 323137301 /nfs/dbraw/zinc/13/73/01/323137301.db2.gz HMLCDPJXFBMRHL-NKWVEPMBSA-N 1 3 237.294 0.459 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H](N)CC(F)F ZINC000571439258 323144867 /nfs/dbraw/zinc/14/48/67/323144867.db2.gz MQZVGGDCZPKCHY-SECBINFHSA-N 1 3 249.305 0.522 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H](N)CC(F)F ZINC000571439258 323144868 /nfs/dbraw/zinc/14/48/68/323144868.db2.gz MQZVGGDCZPKCHY-SECBINFHSA-N 1 3 249.305 0.522 20 0 BCADHO C[C@H](CNC(=O)CC[C@H](C)[NH3+])N1CCCC1 ZINC000161070702 323145763 /nfs/dbraw/zinc/14/57/63/323145763.db2.gz CKFNOXUYXZICOX-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000571573338 323148133 /nfs/dbraw/zinc/14/81/33/323148133.db2.gz ZDAIGEMWWAWZBW-MXWKQRLJSA-N 1 3 200.326 0.687 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000571573338 323148134 /nfs/dbraw/zinc/14/81/34/323148134.db2.gz ZDAIGEMWWAWZBW-MXWKQRLJSA-N 1 3 200.326 0.687 20 0 BCADHO COC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)C1CC1 ZINC000397273922 323150433 /nfs/dbraw/zinc/15/04/33/323150433.db2.gz YLFRDVIUZNJZOD-DLOVCJGASA-N 1 3 212.337 0.999 20 0 BCADHO COC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000397273922 323150434 /nfs/dbraw/zinc/15/04/34/323150434.db2.gz YLFRDVIUZNJZOD-DLOVCJGASA-N 1 3 212.337 0.999 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000040924100 323158243 /nfs/dbraw/zinc/15/82/43/323158243.db2.gz AHQJCPGVNCYNDS-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1CCN(C)CC1 ZINC000563885588 323183344 /nfs/dbraw/zinc/18/33/44/323183344.db2.gz CFQAIRPNMBBSCU-ONGXEEELSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000070318091 323186494 /nfs/dbraw/zinc/18/64/94/323186494.db2.gz OLNPJNCRIZTQQD-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](N)C1CCC1 ZINC000399095537 323196891 /nfs/dbraw/zinc/19/68/91/323196891.db2.gz VMBCXCXRJAUTND-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)CNC1CC1 ZINC000563945649 323330253 /nfs/dbraw/zinc/33/02/53/323330253.db2.gz CBHOVTLIIUVOLS-GXSJLCMTSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000309258610 323332785 /nfs/dbraw/zinc/33/27/85/323332785.db2.gz HFMBSBZRWGMXDJ-UWVGGRQHSA-N 1 3 213.325 0.086 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000571939508 323510160 /nfs/dbraw/zinc/51/01/60/323510160.db2.gz PBUOOVAAYZGXQW-YUMQZZPRSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000572155913 323554123 /nfs/dbraw/zinc/55/41/23/323554123.db2.gz XLCSVHIXTGSOII-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN2CCC1CC2 ZINC000572240370 323577470 /nfs/dbraw/zinc/57/74/70/323577470.db2.gz DOWBVVPLUNFELD-ZYHUDNBSSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000165348003 487959695 /nfs/dbraw/zinc/95/96/95/487959695.db2.gz HRQKSDOHEWQJQU-LPEHRKFASA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CCC[NH+](C)C ZINC000537213983 324041039 /nfs/dbraw/zinc/04/10/39/324041039.db2.gz FHSXNYNKBGUSLE-UHFFFAOYSA-N 1 3 229.368 0.737 20 0 BCADHO CC[C@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000572482391 324123953 /nfs/dbraw/zinc/12/39/53/324123953.db2.gz QGVVLFNKJIEBFS-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124306143 324613698 /nfs/dbraw/zinc/61/36/98/324613698.db2.gz WLTYLKIQFYCTJX-KXUCPTDWSA-N 1 3 213.325 0.228 20 0 BCADHO CN(CCNC(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000669477866 487966811 /nfs/dbraw/zinc/96/68/11/487966811.db2.gz PWEWTMGWJOGQAU-UHFFFAOYSA-N 1 3 240.351 0.132 20 0 BCADHO CSCC[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000131813533 325185709 /nfs/dbraw/zinc/18/57/09/325185709.db2.gz PDHUKMGMZRCBOD-JTQLQIEISA-N 1 3 247.408 0.571 20 0 BCADHO C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)N1 ZINC000131847899 325186762 /nfs/dbraw/zinc/18/67/62/325186762.db2.gz UBBOJDAZXFOGOS-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000564996901 325843625 /nfs/dbraw/zinc/84/36/25/325843625.db2.gz ZRPNEFGEESNPFT-JGVFFNPUSA-N 1 3 249.305 0.473 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000565003623 325844834 /nfs/dbraw/zinc/84/48/34/325844834.db2.gz LAGKJCJKYFVSGU-LOWVWBTDSA-N 1 3 249.358 0.798 20 0 BCADHO C[C@@]1(C(=O)NCCNc2ccncc2)CC[NH2+]C1 ZINC000565304867 325894044 /nfs/dbraw/zinc/89/40/44/325894044.db2.gz HHQZZKMREAIPOR-CYBMUJFWSA-N 1 3 248.330 0.031 20 0 BCADHO CN(C(=O)C12CCCN1CCC2)[C@@H]1CC[NH2+]C1 ZINC000566100433 325994964 /nfs/dbraw/zinc/99/49/64/325994964.db2.gz SDTNCJSEKZCMOP-LLVKDONJSA-N 1 3 237.347 0.435 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000566206119 326013192 /nfs/dbraw/zinc/01/31/92/326013192.db2.gz OXIHXWJSOWLDSD-MMWGEVLESA-N 1 3 227.352 0.617 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566213319 326014128 /nfs/dbraw/zinc/01/41/28/326014128.db2.gz ZXQVXJAWYBGCTA-VWYCJHECSA-N 1 3 227.352 0.748 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000566213317 326014842 /nfs/dbraw/zinc/01/48/42/326014842.db2.gz ZXQVXJAWYBGCTA-DCAQKATOSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(N)CCCCC1 ZINC000566258531 326020466 /nfs/dbraw/zinc/02/04/66/326020466.db2.gz WGUHGVSYDBTTJQ-UWVGGRQHSA-N 1 3 227.352 0.890 20 0 BCADHO O=C1NCC[C@@H]1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245126 326021470 /nfs/dbraw/zinc/02/14/70/326021470.db2.gz DGSXYOYPMUGNKE-UTUOFQBUSA-N 1 3 237.347 0.196 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000566351315 326035900 /nfs/dbraw/zinc/03/59/00/326035900.db2.gz TUTDEBUBODBALU-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC2(C1)CCOCC2 ZINC000566351315 326035902 /nfs/dbraw/zinc/03/59/02/326035902.db2.gz TUTDEBUBODBALU-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC2(C1)CCOCC2 ZINC000566351315 326035905 /nfs/dbraw/zinc/03/59/05/326035905.db2.gz TUTDEBUBODBALU-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000566412407 326041175 /nfs/dbraw/zinc/04/11/75/326041175.db2.gz VVXJQGGKRWRZRQ-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H](CNCCC(N)=O)C[NH+]1CCCCC1 ZINC000566557388 326063905 /nfs/dbraw/zinc/06/39/05/326063905.db2.gz YPAXUXAOAAJLDN-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H](C[NH2+]CCC(N)=O)CN1CCCCC1 ZINC000566557388 326063908 /nfs/dbraw/zinc/06/39/08/326063908.db2.gz YPAXUXAOAAJLDN-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000566678740 326072911 /nfs/dbraw/zinc/07/29/11/326072911.db2.gz JLLMYQMDIYQLSH-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000566678740 326072913 /nfs/dbraw/zinc/07/29/13/326072913.db2.gz JLLMYQMDIYQLSH-IJLUTSLNSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H](CN)c1ccccc1 ZINC000566854547 326088186 /nfs/dbraw/zinc/08/81/86/326088186.db2.gz XWCABUDVSCRFIS-JQWIXIFHSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)[C@H](C)O ZINC000566910879 326093057 /nfs/dbraw/zinc/09/30/57/326093057.db2.gz KTQQUADXXVAKBF-NEPJUHHUSA-N 1 3 243.395 0.371 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000404880393 326102068 /nfs/dbraw/zinc/10/20/68/326102068.db2.gz JDESXNBBZXPWAF-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CN1C1CC1 ZINC000567275529 326154450 /nfs/dbraw/zinc/15/44/50/326154450.db2.gz PCYMLEPBLIOMRM-UKKRHICBSA-N 1 3 237.347 0.465 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000309743119 326166695 /nfs/dbraw/zinc/16/66/95/326166695.db2.gz DTQRPTDMFBAYLV-SNVBAGLBSA-N 1 3 213.325 0.180 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@H]1CCCOC1 ZINC000310410434 326192112 /nfs/dbraw/zinc/19/21/12/326192112.db2.gz OUUOOLRHGWVOOP-CHWSQXEVSA-N 1 3 244.379 0.657 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@H]1CCCOC1 ZINC000310410434 326192113 /nfs/dbraw/zinc/19/21/13/326192113.db2.gz OUUOOLRHGWVOOP-CHWSQXEVSA-N 1 3 244.379 0.657 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000567505067 326206665 /nfs/dbraw/zinc/20/66/65/326206665.db2.gz LFXSQZYDIZCPQQ-OUAUKWLOSA-N 1 3 227.352 0.428 20 0 BCADHO CC[NH2+]CCCNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000567572699 326219856 /nfs/dbraw/zinc/21/98/56/326219856.db2.gz URTWSLFZBHXYQZ-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]([NH3+])CN1CCNC[C@@H]1c1cccnc1 ZINC000567614049 326229427 /nfs/dbraw/zinc/22/94/27/326229427.db2.gz ZYRLVAUCUYMREA-CMPLNLGQSA-N 1 3 220.320 0.375 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000567731994 326252806 /nfs/dbraw/zinc/25/28/06/326252806.db2.gz JFJCUMKNTSPVDC-AAEUAGOBSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000567731995 326252886 /nfs/dbraw/zinc/25/28/86/326252886.db2.gz JFJCUMKNTSPVDC-DGCLKSJQSA-N 1 3 241.379 0.914 20 0 BCADHO [NH3+]CCCN1CCC(c2c[nH]cn2)CC1 ZINC000567739141 326253502 /nfs/dbraw/zinc/25/35/02/326253502.db2.gz CJEHLWSUMJFQCT-UHFFFAOYSA-N 1 3 208.309 0.938 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000567820104 326263180 /nfs/dbraw/zinc/26/31/80/326263180.db2.gz FWCFRZOSSFQZJS-GARJFASQSA-N 1 3 242.367 0.506 20 0 BCADHO CN(C(=O)c1ccc2c(c1)CNC2)[C@H]1CC[NH2+]C1 ZINC000567829345 326265481 /nfs/dbraw/zinc/26/54/81/326265481.db2.gz BNORZMVUEHSSNL-ZDUSSCGKSA-N 1 3 245.326 0.724 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000567834233 326266209 /nfs/dbraw/zinc/26/62/09/326266209.db2.gz WJNWSCBNBHIQFG-CHWSQXEVSA-N 1 3 247.342 0.897 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000567834235 326266213 /nfs/dbraw/zinc/26/62/13/326266213.db2.gz WJNWSCBNBHIQFG-QWHCGFSZSA-N 1 3 247.342 0.897 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000567834234 326266302 /nfs/dbraw/zinc/26/63/02/326266302.db2.gz WJNWSCBNBHIQFG-OLZOCXBDSA-N 1 3 247.342 0.897 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000567846455 326269202 /nfs/dbraw/zinc/26/92/02/326269202.db2.gz CGHSZIONICYXPM-GMTAPVOTSA-N 1 3 227.352 0.413 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000567926253 326284738 /nfs/dbraw/zinc/28/47/38/326284738.db2.gz DRHOVVLZKQJHAN-ZYUZMQFOSA-N 1 3 213.325 0.165 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000568050858 326300680 /nfs/dbraw/zinc/30/06/80/326300680.db2.gz JTCFBRMOEVCEHP-RYUDHWBXSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051669 326300256 /nfs/dbraw/zinc/30/02/56/326300256.db2.gz XGXPTXXUORWXAK-UMNHJUIQSA-N 1 3 212.337 0.545 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051669 326300260 /nfs/dbraw/zinc/30/02/60/326300260.db2.gz XGXPTXXUORWXAK-UMNHJUIQSA-N 1 3 212.337 0.545 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@@H]2[C@H](C1)C2(C)C ZINC000568051669 326300263 /nfs/dbraw/zinc/30/02/63/326300263.db2.gz XGXPTXXUORWXAK-UMNHJUIQSA-N 1 3 212.337 0.545 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000568050858 326300678 /nfs/dbraw/zinc/30/06/78/326300678.db2.gz JTCFBRMOEVCEHP-RYUDHWBXSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)N[C@@H]1CC(=O)N(CCC[NH+](C)C)C1=O ZINC000568103830 326308532 /nfs/dbraw/zinc/30/85/32/326308532.db2.gz MUDINOUBJPWYNG-SNVBAGLBSA-N 1 3 241.335 0.064 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568247905 326329772 /nfs/dbraw/zinc/32/97/72/326329772.db2.gz AIWMRGFVJHFQJW-ZRUFSTJUSA-N 1 3 214.309 0.260 20 0 BCADHO FC(F)[C@H]1CNCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000568512142 326361502 /nfs/dbraw/zinc/36/15/02/326361502.db2.gz IPWLQEWEWLRMED-WDEREUQCSA-N 1 3 247.333 0.915 20 0 BCADHO CC[C@@H]1CN(C)CCN1C[C@H](O)C[N@H+](C)CC ZINC000568527087 326363284 /nfs/dbraw/zinc/36/32/84/326363284.db2.gz KWAVDRFAYPRMIK-CHWSQXEVSA-N 1 3 243.395 0.325 20 0 BCADHO CC[C@@H]1CN(C)CCN1C[C@H](O)C[N@@H+](C)CC ZINC000568527087 326363285 /nfs/dbraw/zinc/36/32/85/326363285.db2.gz KWAVDRFAYPRMIK-CHWSQXEVSA-N 1 3 243.395 0.325 20 0 BCADHO CSCC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000568628251 326366501 /nfs/dbraw/zinc/36/65/01/326366501.db2.gz NIJFBOSRHMUAAZ-SNVBAGLBSA-N 1 3 245.392 0.183 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000568621815 326368055 /nfs/dbraw/zinc/36/80/55/326368055.db2.gz LBSIISGNQQVREC-AAEUAGOBSA-N 1 3 242.363 0.624 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](N)c1ccccc1 ZINC000568738230 326374253 /nfs/dbraw/zinc/37/42/53/326374253.db2.gz ZJRJDWJEOPUNIE-UHTWSYAYSA-N 1 3 247.342 0.801 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000568760772 326375499 /nfs/dbraw/zinc/37/54/99/326375499.db2.gz BCUHXDJNNLQXNG-NAKRPEOUSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000568984815 326384776 /nfs/dbraw/zinc/38/47/76/326384776.db2.gz QYNOYNFNJOKJHO-RQJHMYQMSA-N 1 3 241.257 0.510 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C12CCCN1CCC2 ZINC000569004616 326386344 /nfs/dbraw/zinc/38/63/44/326386344.db2.gz HZSIJAIVKOWWTD-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569117294 326390959 /nfs/dbraw/zinc/39/09/59/326390959.db2.gz FFAHTYCPGVKETN-QJPTWQEYSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](NC(=O)[C@@H](N)C1CCC1)[C@H]1CCC[NH2+]C1 ZINC000572959579 326421053 /nfs/dbraw/zinc/42/10/53/326421053.db2.gz YBBRWMBNBNXBML-DLOVCJGASA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H](C(=O)NC[C@@H]1CCCN1C)[C@H](C)[NH3+] ZINC000235483632 487972318 /nfs/dbraw/zinc/97/23/18/487972318.db2.gz TWKJCGDIAOIBMA-UTLUCORTSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446402791 487980259 /nfs/dbraw/zinc/98/02/59/487980259.db2.gz NGVPZNSMJYFIFJ-OPRDCNLKSA-N 1 3 227.352 0.746 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446399008 487980285 /nfs/dbraw/zinc/98/02/85/487980285.db2.gz SSOHFEROPGRBEQ-ZDCRXTMVSA-N 1 3 227.352 0.746 20 0 BCADHO NC1(C(=O)N2CC[C@H](C[NH3+])C2)CCCC1 ZINC000309640309 488004501 /nfs/dbraw/zinc/00/45/01/488004501.db2.gz ULGHDLHLYJSFEX-SECBINFHSA-N 1 3 211.309 0.065 20 0 BCADHO CCN(C[C@@H]1CC[NH2+]C1)C[C@H]1CCOC1 ZINC000309646775 488009854 /nfs/dbraw/zinc/00/98/54/488009854.db2.gz QRYQIQLJVCXZHQ-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000229962607 488015826 /nfs/dbraw/zinc/01/58/26/488015826.db2.gz OBQULLOPKWXDSV-YATPEIPISA-N 1 3 212.337 0.972 20 0 BCADHO CC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000229962607 488015832 /nfs/dbraw/zinc/01/58/32/488015832.db2.gz OBQULLOPKWXDSV-YATPEIPISA-N 1 3 212.337 0.972 20 0 BCADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000310499353 488034256 /nfs/dbraw/zinc/03/42/56/488034256.db2.gz HMXQXMLUZWTKMO-UPJWGTAASA-N 1 3 244.379 0.845 20 0 BCADHO CN(CCNC(=O)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000084383351 488049010 /nfs/dbraw/zinc/04/90/10/488049010.db2.gz GWHLMZISMNTVCC-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+]CCCNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669490834 488052975 /nfs/dbraw/zinc/05/29/75/488052975.db2.gz AZUXYDYGWZMBBE-LLVKDONJSA-N 1 3 240.351 0.119 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000389173067 488079600 /nfs/dbraw/zinc/07/96/00/488079600.db2.gz OJCZUOAPNMEMDM-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CC)C1 ZINC000389195344 488080424 /nfs/dbraw/zinc/08/04/24/488080424.db2.gz WZSUXHSHJBFXHA-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H](N)CC)C1 ZINC000389195344 488080429 /nfs/dbraw/zinc/08/04/29/488080429.db2.gz WZSUXHSHJBFXHA-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000236723864 488083098 /nfs/dbraw/zinc/08/30/98/488083098.db2.gz CHNAFPBWGWIAHM-WDEREUQCSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@H](O)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000227713491 488092247 /nfs/dbraw/zinc/09/22/47/488092247.db2.gz CGFQYXCOARNPQD-RYUDHWBXSA-N 1 3 230.352 0.194 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)C1 ZINC000389568954 488102036 /nfs/dbraw/zinc/10/20/36/488102036.db2.gz AGSMDHWRIWUOCL-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)C1 ZINC000389568954 488102041 /nfs/dbraw/zinc/10/20/41/488102041.db2.gz AGSMDHWRIWUOCL-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000389634343 488103675 /nfs/dbraw/zinc/10/36/75/488103675.db2.gz IVSIBLWENSRBGX-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000389634338 488103760 /nfs/dbraw/zinc/10/37/60/488103760.db2.gz IVSIBLWENSRBGX-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000389660587 488104531 /nfs/dbraw/zinc/10/45/31/488104531.db2.gz RNXDTKDTDJMACM-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000389662446 488104339 /nfs/dbraw/zinc/10/43/39/488104339.db2.gz SDKKBSRBSCPWJT-AAEUAGOBSA-N 1 3 239.363 0.729 20 0 BCADHO CN1CCC(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000237105298 488104271 /nfs/dbraw/zinc/10/42/71/488104271.db2.gz AGLANFYQKSNXCF-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000092955080 488104752 /nfs/dbraw/zinc/10/47/52/488104752.db2.gz TUSVDVPRONYMLT-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000389683577 488105661 /nfs/dbraw/zinc/10/56/61/488105661.db2.gz YIXOTYYBXCSNGF-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669509432 488110398 /nfs/dbraw/zinc/11/03/98/488110398.db2.gz DWGJDRMYDMHGOS-CMPLNLGQSA-N 1 3 227.352 0.762 20 0 BCADHO O=C(CC[NH2+]C1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000044726836 488111652 /nfs/dbraw/zinc/11/16/52/488111652.db2.gz XRWJXBFTPFXGTO-NSHDSACASA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCC[NH2+]C2CC2)C1 ZINC000669510341 488112707 /nfs/dbraw/zinc/11/27/07/488112707.db2.gz LJFOOLMSWJCTDY-MWLCHTKSSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000669510454 488112836 /nfs/dbraw/zinc/11/28/36/488112836.db2.gz LSBQSZRYILNZGJ-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO CN(CCC[NH3+])C(=O)C1(N)Cc2ccccc2C1 ZINC000669511693 488115953 /nfs/dbraw/zinc/11/59/53/488115953.db2.gz ABVAHTPIWJPETN-UHFFFAOYSA-N 1 3 247.342 0.290 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000669512322 488117602 /nfs/dbraw/zinc/11/76/02/488117602.db2.gz AFPGSYVXVQNDPW-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000669512406 488118652 /nfs/dbraw/zinc/11/86/52/488118652.db2.gz PPPOOHYVQVCTFT-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000389891708 488122779 /nfs/dbraw/zinc/12/27/79/488122779.db2.gz OAPRNXBACKJOBY-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)CC(F)F)C1 ZINC000389891708 488122781 /nfs/dbraw/zinc/12/27/81/488122781.db2.gz OAPRNXBACKJOBY-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[NH2+]C2CC2)CCN1 ZINC000669514777 488123954 /nfs/dbraw/zinc/12/39/54/488123954.db2.gz HRTLCWZJKVVCCN-LLVKDONJSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000669514687 488123788 /nfs/dbraw/zinc/12/37/88/488123788.db2.gz ZVIDQKRIHANLEJ-IJLUTSLNSA-N 1 3 239.363 0.633 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514722 488123797 /nfs/dbraw/zinc/12/37/97/488123797.db2.gz CFKWCNBDNWEZGI-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[NH2+]CC2CC2)CCN1 ZINC000669514919 488123865 /nfs/dbraw/zinc/12/38/65/488123865.db2.gz SIEOOOOATUPJJM-GFCCVEGCSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)CCN1 ZINC000669514628 488124191 /nfs/dbraw/zinc/12/41/91/488124191.db2.gz VPBFBNMXCGHDPS-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514982 488125171 /nfs/dbraw/zinc/12/51/71/488125171.db2.gz YWYSQFQXPGEJTB-YPMHNXCESA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000669516187 488126150 /nfs/dbraw/zinc/12/61/50/488126150.db2.gz WVMZAZNGJPUKLO-QCNOEVLYSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CNC1CC1 ZINC000669518625 488130332 /nfs/dbraw/zinc/13/03/32/488130332.db2.gz URTCNVXDGJFLKM-KBVBSXBZSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H](CCO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000085131490 488131745 /nfs/dbraw/zinc/13/17/45/488131745.db2.gz SVTIHWXVLZLMJB-RYUDHWBXSA-N 1 3 230.352 0.051 20 0 BCADHO COC[C@H](CN[C@@H]1CC[NH2+]CC1(C)C)OC ZINC000300857417 487541585 /nfs/dbraw/zinc/54/15/85/487541585.db2.gz OQLKUTLQPMHSOR-WDEREUQCSA-N 1 3 230.352 0.626 20 0 BCADHO COC[C@H](C[NH2+][C@@H]1CCNCC1(C)C)OC ZINC000300857417 487541588 /nfs/dbraw/zinc/54/15/88/487541588.db2.gz OQLKUTLQPMHSOR-WDEREUQCSA-N 1 3 230.352 0.626 20 0 BCADHO N[C@@H](CC(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000237885667 487530166 /nfs/dbraw/zinc/53/01/66/487530166.db2.gz TWLYPXJBERWFEU-ZDUSSCGKSA-N 1 3 247.342 0.945 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183309019 487471198 /nfs/dbraw/zinc/47/11/98/487471198.db2.gz XUXDFSKTPSGLDJ-NSHDSACASA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)N(C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000653271772 487472066 /nfs/dbraw/zinc/47/20/66/487472066.db2.gz KKTSWQDBTGEOPS-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](CNC(=O)CC1([NH3+])CCC1)N1CCCC1 ZINC000161063833 487474698 /nfs/dbraw/zinc/47/46/98/487474698.db2.gz LURAMYKFONTONJ-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@H]1CNCCC1(F)F ZINC000669520376 488141383 /nfs/dbraw/zinc/14/13/83/488141383.db2.gz BCLGATONYDEDAY-VIFPVBQESA-N 1 3 249.305 0.488 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)NCCN(C)C ZINC000659620178 487478755 /nfs/dbraw/zinc/47/87/55/487478755.db2.gz BXKJGNANUGSVMH-SNVBAGLBSA-N 1 3 230.356 0.221 20 0 BCADHO C[C@@H](O)CNCCC[NH+]1CCCCC1 ZINC000666117475 487500356 /nfs/dbraw/zinc/50/03/56/487500356.db2.gz GJWJLSMCQCNSQU-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO NCc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000169813080 487507051 /nfs/dbraw/zinc/50/70/51/487507051.db2.gz VMNZYFNBIHCKEX-LLVKDONJSA-N 1 3 219.288 0.836 20 0 BCADHO NC1(C(=O)NCC[NH2+]C2CC2)CCCCC1 ZINC000237792254 487516045 /nfs/dbraw/zinc/51/60/45/487516045.db2.gz VZUYGNQALCSDEJ-UHFFFAOYSA-N 1 3 225.336 0.516 20 0 BCADHO CCN1CC[C@@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000662273672 487521778 /nfs/dbraw/zinc/52/17/78/487521778.db2.gz XRBRCSCJBAGQJD-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO CN(C[C@@H]1CCC2(CNC2)O1)C1(C[NH3+])CCC1 ZINC000662274129 487522910 /nfs/dbraw/zinc/52/29/10/487522910.db2.gz REYKAOPOEKSAST-NSHDSACASA-N 1 3 239.363 0.321 20 0 BCADHO CN(C)C(=O)CCN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335399259 487626354 /nfs/dbraw/zinc/62/63/54/487626354.db2.gz NYGGRWHONFJLEF-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CC[C@]2(C1)CCCNC2 ZINC000335399259 487626361 /nfs/dbraw/zinc/62/63/61/487626361.db2.gz NYGGRWHONFJLEF-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CC[C@]2(C1)CCCNC2 ZINC000335399259 487626365 /nfs/dbraw/zinc/62/63/65/487626365.db2.gz NYGGRWHONFJLEF-CYBMUJFWSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2ccnn2C)C1 ZINC000230775568 488157122 /nfs/dbraw/zinc/15/71/22/488157122.db2.gz FZHIHBBOYKWGGQ-GHMZBOCLSA-N 1 3 222.336 0.632 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000390617965 488171098 /nfs/dbraw/zinc/17/10/98/488171098.db2.gz DNJIXOSNMUTUJI-VXGBXAGGSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000390617965 488171100 /nfs/dbraw/zinc/17/11/00/488171100.db2.gz DNJIXOSNMUTUJI-VXGBXAGGSA-N 1 3 230.352 0.144 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167516121 488174224 /nfs/dbraw/zinc/17/42/24/488174224.db2.gz XPYQBTPMGIMFMN-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167516121 488174230 /nfs/dbraw/zinc/17/42/30/488174230.db2.gz XPYQBTPMGIMFMN-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCCC1 ZINC000037477141 488186492 /nfs/dbraw/zinc/18/64/92/488186492.db2.gz BDRCQCSXTSIVCL-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO [NH3+]C1(CC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000398242572 488215573 /nfs/dbraw/zinc/21/55/73/488215573.db2.gz ZZFWGNOSXANRCR-SECBINFHSA-N 1 3 223.320 0.221 20 0 BCADHO CN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1 ZINC000673877228 488310759 /nfs/dbraw/zinc/31/07/59/488310759.db2.gz ZCTNPVSIYBPZOH-NSHDSACASA-N 1 3 242.367 0.284 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000070941763 490250635 /nfs/dbraw/zinc/25/06/35/490250635.db2.gz QZJJEUNFTYMBBX-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)N1CCCCCC1 ZINC000126354168 490491675 /nfs/dbraw/zinc/49/16/75/490491675.db2.gz HFSXAIFPNUDEKD-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000129086622 490600155 /nfs/dbraw/zinc/60/01/55/490600155.db2.gz CFWLOFHQSLGMMN-OPRDCNLKSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000129085979 490600025 /nfs/dbraw/zinc/60/00/25/490600025.db2.gz CFWLOFHQSLGMMN-AEJSXWLSSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCNCC1(C)C ZINC000309796026 491076953 /nfs/dbraw/zinc/07/69/53/491076953.db2.gz QDUSUPAVXDIIFN-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342606390 535953066 /nfs/dbraw/zinc/95/30/66/535953066.db2.gz LOWUMPTZVVQZEC-GMXVVIOVSA-N 1 3 241.379 0.866 20 0 BCADHO CC1(C)CCC[NH2+][C@H]1C(=O)N1CCCNCC1 ZINC000232916878 517506886 /nfs/dbraw/zinc/50/68/86/517506886.db2.gz PSZYOKUXYHZDDU-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000494704792 534302876 /nfs/dbraw/zinc/30/28/76/534302876.db2.gz UCMIIZAYEIIDEK-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000262543900 534898405 /nfs/dbraw/zinc/89/84/05/534898405.db2.gz YFDFDBCMHPWVHK-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000159106845 536454051 /nfs/dbraw/zinc/45/40/51/536454051.db2.gz QUNPQWYMFJZIOM-JQWIXIFHSA-N 1 3 243.326 0.146 20 0 BCADHO COCCCN(C)CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192120250 536506668 /nfs/dbraw/zinc/50/66/68/536506668.db2.gz KSANWLZMZJMFJR-MNOVXSKESA-N 1 3 245.367 0.054 20 0 BCADHO C[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000892568478 582915801 /nfs/dbraw/zinc/91/58/01/582915801.db2.gz UFIQUWKVKVZHSI-NAKRPEOUSA-N 1 3 240.351 0.116 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000493654557 528823832 /nfs/dbraw/zinc/82/38/32/528823832.db2.gz ZXZGCWQEHJCURC-ABZNLYFFSA-N 1 3 241.379 0.949 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000493654557 528823839 /nfs/dbraw/zinc/82/38/39/528823839.db2.gz ZXZGCWQEHJCURC-ABZNLYFFSA-N 1 3 241.379 0.949 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494872674 528970066 /nfs/dbraw/zinc/97/00/66/528970066.db2.gz HDJMSUZWDAPDNN-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N(C)CC(=O)NCC1([NH3+])CCC1 ZINC000261586705 534998741 /nfs/dbraw/zinc/99/87/41/534998741.db2.gz RJCLVJQSVYKLMN-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805690 535058391 /nfs/dbraw/zinc/05/83/91/535058391.db2.gz ZAMSGQAZDDQKKC-WOPDTQHZSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805690 535058393 /nfs/dbraw/zinc/05/83/93/535058393.db2.gz ZAMSGQAZDDQKKC-WOPDTQHZSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000262637741 535130907 /nfs/dbraw/zinc/13/09/07/535130907.db2.gz QPKKDBWWTZNWSJ-MNOVXSKESA-N 1 3 227.352 0.393 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)N)C1 ZINC000168722846 535139289 /nfs/dbraw/zinc/13/92/89/535139289.db2.gz CLLDMTVQIPSRJG-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C)N)C1 ZINC000168722846 535139298 /nfs/dbraw/zinc/13/92/98/535139298.db2.gz CLLDMTVQIPSRJG-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)([NH3+])CNC(=O)C1(N)CCCCC1 ZINC000261567012 535200601 /nfs/dbraw/zinc/20/06/01/535200601.db2.gz DTUIDYYGPHCXIZ-UHFFFAOYSA-N 1 3 213.325 0.502 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000178834608 535260451 /nfs/dbraw/zinc/26/04/51/535260451.db2.gz PANRKCKJPVFITN-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000178834608 535260453 /nfs/dbraw/zinc/26/04/53/535260453.db2.gz PANRKCKJPVFITN-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCN1CCC(N(C)C(=O)C2C[NH2+]C2)CC1 ZINC000084409095 535456081 /nfs/dbraw/zinc/45/60/81/535456081.db2.gz UNVXHBZHRJRQLF-UHFFFAOYSA-N 1 3 225.336 0.149 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000335390533 535495227 /nfs/dbraw/zinc/49/52/27/535495227.db2.gz PMNYNSJBEIBSLH-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH+](CC)[C@H](CNC(=O)CN)CC(C)C ZINC000164410039 535670648 /nfs/dbraw/zinc/67/06/48/535670648.db2.gz RIQSNMYMNSCQJS-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CN(C)CCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068940309 535831272 /nfs/dbraw/zinc/83/12/72/535831272.db2.gz QEJZVZMGWJENNB-LLVKDONJSA-N 1 3 248.392 0.495 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351769724 535952270 /nfs/dbraw/zinc/95/22/70/535952270.db2.gz LFMOBWAIINOQMC-VLEAKVRGSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261579554 535953566 /nfs/dbraw/zinc/95/35/66/535953566.db2.gz MHNNQBSOKFTUEP-HGNGGELXSA-N 1 3 213.325 0.213 20 0 BCADHO CN(C(=O)C1(N)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000262423192 535960824 /nfs/dbraw/zinc/96/08/24/535960824.db2.gz GLYHEDVIVUUJOO-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261539373 536139025 /nfs/dbraw/zinc/13/90/25/536139025.db2.gz CFWLOFHQSLGMMN-KXUCPTDWSA-N 1 3 213.325 0.310 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000258657947 536372853 /nfs/dbraw/zinc/37/28/53/536372853.db2.gz SKMCYAZBDLNUEX-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000167532482 536376941 /nfs/dbraw/zinc/37/69/41/536376941.db2.gz AOQZKPSHHJVBRD-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)N)CC[C@@H]21 ZINC000167532482 536376942 /nfs/dbraw/zinc/37/69/42/536376942.db2.gz AOQZKPSHHJVBRD-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@@](C)(O)C1 ZINC000179253060 536389733 /nfs/dbraw/zinc/38/97/33/536389733.db2.gz OJOGVSLPJXVTRZ-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CC[C@@](C)(O)C1 ZINC000179253060 536389735 /nfs/dbraw/zinc/38/97/35/536389735.db2.gz OJOGVSLPJXVTRZ-NWDGAFQWSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000261534534 536391164 /nfs/dbraw/zinc/39/11/64/536391164.db2.gz RVQQMYVYWKRONE-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]CC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000178408940 536442643 /nfs/dbraw/zinc/44/26/43/536442643.db2.gz QEDKXKZHVIOYAJ-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](CN)c1ccccc1 ZINC000289300096 566383800 /nfs/dbraw/zinc/38/38/00/566383800.db2.gz RZEYPEPDJJOOSS-RTXFEEFZSA-N 1 3 247.342 0.677 20 0 BCADHO Cc1cc(N)nc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000892954764 583019623 /nfs/dbraw/zinc/01/96/23/583019623.db2.gz BZEYLXWZAHUZNY-LLVKDONJSA-N 1 3 239.323 0.092 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000857113149 583133596 /nfs/dbraw/zinc/13/35/96/583133596.db2.gz OCPSDPLYUIJEMS-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)NC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000112801275 588817321 /nfs/dbraw/zinc/81/73/21/588817321.db2.gz RSNXHFVXUAIZOL-GHMZBOCLSA-N 1 3 240.351 0.372 20 0 BCADHO CN(CCNC(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC000891545426 582695792 /nfs/dbraw/zinc/69/57/92/582695792.db2.gz JLQBVOLZIHFCJN-UHFFFAOYSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](CNc1ccncc1CO)[NH+](C)C ZINC000892027753 582765678 /nfs/dbraw/zinc/76/56/78/582765678.db2.gz IZAZAWFSPGEXHK-SECBINFHSA-N 1 3 209.293 0.358 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N1CCNCCC12CCC2 ZINC000892104062 582791561 /nfs/dbraw/zinc/79/15/61/582791561.db2.gz VJQFGBGRMMTOOS-JTQLQIEISA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N1CCN(C)C(C)(C)CC1 ZINC000892104631 582792694 /nfs/dbraw/zinc/79/26/94/582792694.db2.gz YSDXIZJCXPCNTC-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[NH+](C)[C@H](CNc1ccncc1CO)C1CC1 ZINC000892345020 582863598 /nfs/dbraw/zinc/86/35/98/582863598.db2.gz ISJSYXLZTBDISZ-CYBMUJFWSA-N 1 3 235.331 0.748 20 0 BCADHO COCCOC[C@@H](C)NCCC[NH+](C)C ZINC000892429844 582885600 /nfs/dbraw/zinc/88/56/00/582885600.db2.gz RWTKRSKYFYNWCA-LLVKDONJSA-N 1 3 218.341 0.579 20 0 BCADHO C[C@H]1NCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H]1C ZINC000892568526 582915283 /nfs/dbraw/zinc/91/52/83/582915283.db2.gz VOBARFZEAFFASN-LMLFDSFASA-N 1 3 240.351 0.116 20 0 BCADHO CN1CCC(C(=O)NC2CC([NH+](C)C)C2)CC1 ZINC000857229474 588897138 /nfs/dbraw/zinc/89/71/38/588897138.db2.gz UMEUINNDIYDXOA-UHFFFAOYSA-N 1 3 239.363 0.537 20 0 BCADHO CCCN(C)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857230551 588897201 /nfs/dbraw/zinc/89/72/01/588897201.db2.gz JMCLXPLUXOPGHD-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCNCC1 ZINC000333735184 583439043 /nfs/dbraw/zinc/43/90/43/583439043.db2.gz WUWOQYUOIDOJMP-WDEREUQCSA-N 1 3 240.351 0.132 20 0 BCADHO C[NH+]1CCC(CN2CCC[C@@H]2C(N)=O)CC1 ZINC000894737680 583514837 /nfs/dbraw/zinc/51/48/37/583514837.db2.gz CSXUYQXKBBGORZ-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO CNC(=O)[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894973033 583562747 /nfs/dbraw/zinc/56/27/47/583562747.db2.gz JBXMGIMWHUAEFZ-GFCCVEGCSA-N 1 3 239.363 0.396 20 0 BCADHO CNC(=O)[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894973033 583562749 /nfs/dbraw/zinc/56/27/49/583562749.db2.gz JBXMGIMWHUAEFZ-GFCCVEGCSA-N 1 3 239.363 0.396 20 0 BCADHO COC[C@H]1C[C@@H](O)C[N@@H+]1CC1CCN(C)CC1 ZINC000895154274 583607202 /nfs/dbraw/zinc/60/72/02/583607202.db2.gz WEHYUDIIYHJWMW-CHWSQXEVSA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H]1C[C@@H](O)C[N@H+]1CC1CCN(C)CC1 ZINC000895154274 583607204 /nfs/dbraw/zinc/60/72/04/583607204.db2.gz WEHYUDIIYHJWMW-CHWSQXEVSA-N 1 3 242.363 0.410 20 0 BCADHO CON(C)C(=O)[C@@H](C)NCC1CC[NH+](C)CC1 ZINC000895668219 583705538 /nfs/dbraw/zinc/70/55/38/583705538.db2.gz ZEKMBYUHKCYRFU-SNVBAGLBSA-N 1 3 243.351 0.326 20 0 BCADHO C[C@H]1[C@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000895736253 583717877 /nfs/dbraw/zinc/71/78/77/583717877.db2.gz IRYMHTMHNILNMR-GXSJLCMTSA-N 1 3 221.304 0.500 20 0 BCADHO C[C@H]1[C@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000895736253 583717878 /nfs/dbraw/zinc/71/78/78/583717878.db2.gz IRYMHTMHNILNMR-GXSJLCMTSA-N 1 3 221.304 0.500 20 0 BCADHO c1ncc2c(n1)CCN(CC[C@@H]1CC[NH2+]C1)C2 ZINC000883462560 583824699 /nfs/dbraw/zinc/82/46/99/583824699.db2.gz UFKXVERSYYSRFB-NSHDSACASA-N 1 3 232.331 0.834 20 0 BCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCN(C)C ZINC000897491322 583995912 /nfs/dbraw/zinc/99/59/12/583995912.db2.gz UNCCPPQAIIHRJB-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCN(C)C ZINC000897491323 583995877 /nfs/dbraw/zinc/99/58/77/583995877.db2.gz UNCCPPQAIIHRJB-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H]1CCC[N@H+]1CCNC(=O)NCCN(C)C ZINC000897491323 583995879 /nfs/dbraw/zinc/99/58/79/583995879.db2.gz UNCCPPQAIIHRJB-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)NCCN(C)C ZINC000897491322 583995913 /nfs/dbraw/zinc/99/59/13/583995913.db2.gz UNCCPPQAIIHRJB-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H]1C[C@@H](CN2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232238 584127784 /nfs/dbraw/zinc/12/77/84/584127784.db2.gz NPOMWAWMNPHZDG-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+][C@@H](CO)c1ccc(C=C2CNC2)cc1 ZINC000899328005 584197917 /nfs/dbraw/zinc/19/79/17/584197917.db2.gz LBIQITAWLXOQGU-LBPRGKRZSA-N 1 3 204.273 0.665 20 0 BCADHO C[C@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361240 584572260 /nfs/dbraw/zinc/57/22/60/584572260.db2.gz OXUYKRLBSYKCMA-NXEZZACHSA-N 1 3 200.326 0.735 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2C[C@@H](O)C2)C1 ZINC000902387325 584579153 /nfs/dbraw/zinc/57/91/53/584579153.db2.gz KDEHUPNCWXMRKO-GARJFASQSA-N 1 3 212.337 0.878 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2C[C@@H](O)C2)C1 ZINC000902387326 584579479 /nfs/dbraw/zinc/57/94/79/584579479.db2.gz KDEHUPNCWXMRKO-MXWKQRLJSA-N 1 3 212.337 0.878 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000902392811 584583347 /nfs/dbraw/zinc/58/33/47/584583347.db2.gz NFVWQKDXLDLNNF-MXWKQRLJSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000902392811 584583349 /nfs/dbraw/zinc/58/33/49/584583349.db2.gz NFVWQKDXLDLNNF-MXWKQRLJSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)CNCC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000902397616 584585081 /nfs/dbraw/zinc/58/50/81/584585081.db2.gz NFVWQKDXLDLNNF-GMTAPVOTSA-N 1 3 239.363 0.618 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC000902397616 584585084 /nfs/dbraw/zinc/58/50/84/584585084.db2.gz NFVWQKDXLDLNNF-GMTAPVOTSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CC2(N)CC2)CN1C1CC1 ZINC000902415580 584589834 /nfs/dbraw/zinc/58/98/34/584589834.db2.gz JILNTKMGHPVPGA-NXEZZACHSA-N 1 3 209.337 0.693 20 0 BCADHO C[C@@H]1C[C@@H](NCC2([NH3+])CC2)CN1C1CC1 ZINC000902415580 584589836 /nfs/dbraw/zinc/58/98/36/584589836.db2.gz JILNTKMGHPVPGA-NXEZZACHSA-N 1 3 209.337 0.693 20 0 BCADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCON ZINC000902417137 584591188 /nfs/dbraw/zinc/59/11/88/584591188.db2.gz XENOQVPLIGSHBD-VIFPVBQESA-N 1 3 238.335 0.780 20 0 BCADHO C(N[C@H]1CNCCOC1)[C@@H]1CCCCC[NH2+]1 ZINC000902477795 584603697 /nfs/dbraw/zinc/60/36/97/584603697.db2.gz SCFYEUMRKKNULY-RYUDHWBXSA-N 1 3 227.352 0.097 20 0 BCADHO Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000902458010 584610068 /nfs/dbraw/zinc/61/00/68/584610068.db2.gz WRHIPGLKOZSIQC-NXEZZACHSA-N 1 3 238.339 0.002 20 0 BCADHO Cn1nnnc1CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000902458010 584610070 /nfs/dbraw/zinc/61/00/70/584610070.db2.gz WRHIPGLKOZSIQC-NXEZZACHSA-N 1 3 238.339 0.002 20 0 BCADHO Cn1cnc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000902462641 584612337 /nfs/dbraw/zinc/61/23/37/584612337.db2.gz WQQCQJPRHSIWEB-QJPTWQEYSA-N 1 3 234.347 0.898 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466236 584614137 /nfs/dbraw/zinc/61/41/37/584614137.db2.gz KRVAHMLNPMXFBN-FPYNETTCSA-N 1 3 239.363 0.236 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472123 584617562 /nfs/dbraw/zinc/61/75/62/584617562.db2.gz XHICOQLMJSCDQC-HGCLJGPKSA-N 1 3 209.337 0.419 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472126 584617565 /nfs/dbraw/zinc/61/75/65/584617565.db2.gz XHICOQLMJSCDQC-ROHXPCBUSA-N 1 3 209.337 0.419 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCC[C@H](O)C1CC1 ZINC000902506621 584622099 /nfs/dbraw/zinc/62/20/99/584622099.db2.gz YSJXQLLDNDSLOY-QXEWZRGKSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000902506621 584622101 /nfs/dbraw/zinc/62/21/01/584622101.db2.gz YSJXQLLDNDSLOY-QXEWZRGKSA-N 1 3 200.326 0.863 20 0 BCADHO C[C@@H](N[C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000902486710 584626008 /nfs/dbraw/zinc/62/60/08/584626008.db2.gz IELLNHKGMHLOMU-FXPVBKGRSA-N 1 3 208.309 0.808 20 0 BCADHO C1CC1[C@@H]1COC[C@H]1NC1CC[NH2+]CC1 ZINC000902519818 584631455 /nfs/dbraw/zinc/63/14/55/584631455.db2.gz MQXBKDORAOYYJT-NWDGAFQWSA-N 1 3 210.321 0.753 20 0 BCADHO C1CC1[C@@H]1COC[C@H]1[NH2+]C1CCNCC1 ZINC000902519818 584631457 /nfs/dbraw/zinc/63/14/57/584631457.db2.gz MQXBKDORAOYYJT-NWDGAFQWSA-N 1 3 210.321 0.753 20 0 BCADHO C1CC1[C@H]1COC[C@H]1NC1CC[NH2+]CC1 ZINC000902519820 584631550 /nfs/dbraw/zinc/63/15/50/584631550.db2.gz MQXBKDORAOYYJT-VXGBXAGGSA-N 1 3 210.321 0.753 20 0 BCADHO C1CC1[C@H]1COC[C@H]1[NH2+]C1CCNCC1 ZINC000902519820 584631551 /nfs/dbraw/zinc/63/15/51/584631551.db2.gz MQXBKDORAOYYJT-VXGBXAGGSA-N 1 3 210.321 0.753 20 0 BCADHO CC(C)[C@@H]1C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903435468 584762013 /nfs/dbraw/zinc/76/20/13/584762013.db2.gz VGEOYRWXEKEECS-GRYCIOLGSA-N 1 3 239.363 0.570 20 0 BCADHO c1cncc([C@H]2CNCCN2C[C@H]2CCC[NH2+]2)c1 ZINC000903449454 584771200 /nfs/dbraw/zinc/77/12/00/584771200.db2.gz BFQQLXUMKZNOQV-ZIAGYGMSSA-N 1 3 246.358 0.780 20 0 BCADHO COC(=O)[C@@H](C)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903454934 584773300 /nfs/dbraw/zinc/77/33/00/584773300.db2.gz OBMSDAYRMKKLGI-VWYCJHECSA-N 1 3 228.336 0.583 20 0 BCADHO CO[C@@H]1COCC[C@@H]1N(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903481807 584777904 /nfs/dbraw/zinc/77/79/04/584777904.db2.gz NKMGCWZDCUAFJH-MROQNXINSA-N 1 3 242.363 0.578 20 0 BCADHO CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508608 584781099 /nfs/dbraw/zinc/78/10/99/584781099.db2.gz NXWOIDZRKUPVGW-BETUJISGSA-N 1 3 223.364 0.907 20 0 BCADHO CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508608 584781101 /nfs/dbraw/zinc/78/11/01/584781101.db2.gz NXWOIDZRKUPVGW-BETUJISGSA-N 1 3 223.364 0.907 20 0 BCADHO C[NH2+]CCOCCN(C)CCc1cnn(C)c1 ZINC000629569863 584781808 /nfs/dbraw/zinc/78/18/08/584781808.db2.gz GIMROXQJABDFAO-UHFFFAOYSA-N 1 3 240.351 0.130 20 0 BCADHO CO[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903731791 584793144 /nfs/dbraw/zinc/79/31/44/584793144.db2.gz CRXQWCKDSUGDSR-AGIUHOORSA-N 1 3 240.347 0.476 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903749640 584794737 /nfs/dbraw/zinc/79/47/37/584794737.db2.gz NNLGBBLDHVZZTR-QWRGUYRKSA-N 1 3 247.333 0.915 20 0 BCADHO [NH3+]C[C@]12CC[C@@H]1CCCN2C[C@@H]1CNCCO1 ZINC000903801472 584802263 /nfs/dbraw/zinc/80/22/63/584802263.db2.gz NPAFSTFMMDGMMB-RWMBFGLXSA-N 1 3 239.363 0.178 20 0 BCADHO C(CN1CCO[C@@H]2COCC[C@@H]21)[C@@H]1CC[NH2+]C1 ZINC000903829224 584805344 /nfs/dbraw/zinc/80/53/44/584805344.db2.gz CHSGVKFDVGKHSW-RWMBFGLXSA-N 1 3 240.347 0.476 20 0 BCADHO C[C@@H]1CCOCCN1CCOCC[NH3+] ZINC000903831925 584806231 /nfs/dbraw/zinc/80/62/31/584806231.db2.gz OHTYAQGZGBSDPE-SNVBAGLBSA-N 1 3 202.298 0.073 20 0 BCADHO C[C@@H]1CCOCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903833816 584806239 /nfs/dbraw/zinc/80/62/39/584806239.db2.gz YEGFTCLQPRYJIA-VXGBXAGGSA-N 1 3 240.347 0.476 20 0 BCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCc1cn[nH]c1)C2 ZINC000903838234 584806871 /nfs/dbraw/zinc/80/68/71/584806871.db2.gz ABWBMJOBXXTNQP-SRVKXCTJSA-N 1 3 220.320 0.764 20 0 BCADHO CNC[C@](C)(O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903850255 584807937 /nfs/dbraw/zinc/80/79/37/584807937.db2.gz NCFJMGZOSKCTIW-UTUOFQBUSA-N 1 3 212.337 0.901 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@H]2CC[C@]21CN ZINC000903857010 584809815 /nfs/dbraw/zinc/80/98/15/584809815.db2.gz BTPALCMDNYTZPU-YPMHNXCESA-N 1 3 234.347 0.776 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@H]2CC[C@]21CN ZINC000903857010 584809816 /nfs/dbraw/zinc/80/98/16/584809816.db2.gz BTPALCMDNYTZPU-YPMHNXCESA-N 1 3 234.347 0.776 20 0 BCADHO COCCOCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903858440 584810713 /nfs/dbraw/zinc/81/07/13/584810713.db2.gz YLVREWWHWZPYIT-NWDGAFQWSA-N 1 3 228.336 0.463 20 0 BCADHO COCCOCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903858440 584810714 /nfs/dbraw/zinc/81/07/14/584810714.db2.gz YLVREWWHWZPYIT-NWDGAFQWSA-N 1 3 228.336 0.463 20 0 BCADHO CC(C)(C)[C@H](CN)[NH2+]C[C@H](N)CC(F)F ZINC000903920003 584823197 /nfs/dbraw/zinc/82/31/97/584823197.db2.gz RCQUTLCCZRFZCQ-SFYZADRCSA-N 1 3 223.311 0.932 20 0 BCADHO COC(=O)C1(CNC[C@@H]([NH3+])CC(F)F)CC1 ZINC000903925887 584823651 /nfs/dbraw/zinc/82/36/51/584823651.db2.gz IQSSCKCYKIYFNB-ZETCQYMHSA-N 1 3 236.262 0.512 20 0 BCADHO COC(=O)C(C)(C)CNC[C@H]([NH3+])CC(F)F ZINC000903928388 584824424 /nfs/dbraw/zinc/82/44/24/584824424.db2.gz YKEZYCNPDZACJM-SSDOTTSWSA-N 1 3 238.278 0.758 20 0 BCADHO COC[C@@H](NCCC[NH3+])[C@H]1CCCOC1 ZINC000903959421 584827886 /nfs/dbraw/zinc/82/78/86/584827886.db2.gz HTMDXAXZQRETLP-WDEREUQCSA-N 1 3 216.325 0.366 20 0 BCADHO COC[C@@H]([NH2+]CCCN)[C@H]1CCCOC1 ZINC000903959421 584827887 /nfs/dbraw/zinc/82/78/87/584827887.db2.gz HTMDXAXZQRETLP-WDEREUQCSA-N 1 3 216.325 0.366 20 0 BCADHO C[N@H+](CCCF)C[C@H]1CCCN(C(=O)CN)C1 ZINC000903961672 584828923 /nfs/dbraw/zinc/82/89/23/584828923.db2.gz FAIXBCIIUURFQJ-LLVKDONJSA-N 1 3 245.342 0.475 20 0 BCADHO C[N@@H+](CCCF)C[C@H]1CCCN(C(=O)CN)C1 ZINC000903961672 584828924 /nfs/dbraw/zinc/82/89/24/584828924.db2.gz FAIXBCIIUURFQJ-LLVKDONJSA-N 1 3 245.342 0.475 20 0 BCADHO Nc1ccnc(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000903954030 584831181 /nfs/dbraw/zinc/83/11/81/584831181.db2.gz OHAMVEOZPQYAOI-NSHDSACASA-N 1 3 220.320 0.896 20 0 BCADHO Nc1ccnc(CNC[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000903953121 584831537 /nfs/dbraw/zinc/83/15/37/584831537.db2.gz AFRGAYBARZQEOB-JOYOIKCWSA-N 1 3 218.304 0.363 20 0 BCADHO COC(=O)C[C@@H]1CN(CCC[NH3+])C[C@H]1C ZINC000903987168 584836002 /nfs/dbraw/zinc/83/60/02/584836002.db2.gz YAEMETRCVFNHOY-NXEZZACHSA-N 1 3 214.309 0.466 20 0 BCADHO C[C@@]1(CN2CC[C@H](CO)C2)CCC[NH2+]C1 ZINC000904315877 584860034 /nfs/dbraw/zinc/86/00/34/584860034.db2.gz GAUVBINWOMSRLY-NWDGAFQWSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@]1(C[N@@H+]2CC[C@H](CO)C2)CCCNC1 ZINC000904315877 584860036 /nfs/dbraw/zinc/86/00/36/584860036.db2.gz GAUVBINWOMSRLY-NWDGAFQWSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@]1(C[N@H+]2CC[C@H](CO)C2)CCCNC1 ZINC000904315877 584860038 /nfs/dbraw/zinc/86/00/38/584860038.db2.gz GAUVBINWOMSRLY-NWDGAFQWSA-N 1 3 212.337 0.690 20 0 BCADHO CC(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000904322309 584864824 /nfs/dbraw/zinc/86/48/24/584864824.db2.gz WCOAMFPDMSDXKY-JLLWLGSASA-N 1 3 225.336 0.276 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@H]([C@H]3CCCO3)C2)C1 ZINC000904328436 584865207 /nfs/dbraw/zinc/86/52/07/584865207.db2.gz OPDJIASKRCDTBN-XQHKEYJVSA-N 1 3 240.347 0.604 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCS[C@@H]3COCC[C@H]32)C1 ZINC000904326917 584865286 /nfs/dbraw/zinc/86/52/86/584865286.db2.gz SYYXTYUCMHYNBU-WRWGMCAJSA-N 1 3 242.388 0.930 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904327015 584865297 /nfs/dbraw/zinc/86/52/97/584865297.db2.gz XAFSXECOFIQRFC-AAEUAGOBSA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000904327015 584865298 /nfs/dbraw/zinc/86/52/98/584865298.db2.gz XAFSXECOFIQRFC-AAEUAGOBSA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000904327015 584865299 /nfs/dbraw/zinc/86/52/99/584865299.db2.gz XAFSXECOFIQRFC-AAEUAGOBSA-N 1 3 241.379 0.690 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCNC[C@@H]2c2cccnc2)C1 ZINC000904334009 584866546 /nfs/dbraw/zinc/86/65/46/584866546.db2.gz JEAQXFBBZQRKDU-KWCYVHTRSA-N 1 3 246.358 0.765 20 0 BCADHO C[C@@H](CCCC[NH3+])NCc1ccc(N)nn1 ZINC000904354212 584870128 /nfs/dbraw/zinc/87/01/28/584870128.db2.gz CXQKVDRZGHBWEK-VIFPVBQESA-N 1 3 223.324 0.666 20 0 BCADHO C[C@H](CCCC[NH3+])NCc1ccc(N)nn1 ZINC000904354211 584870545 /nfs/dbraw/zinc/87/05/45/584870545.db2.gz CXQKVDRZGHBWEK-SECBINFHSA-N 1 3 223.324 0.666 20 0 BCADHO C[C@@]1(CNC[C@@H]2C[C@H](F)CN2)CCC[NH2+]C1 ZINC000904355280 584870598 /nfs/dbraw/zinc/87/05/98/584870598.db2.gz PJYUIGZRUGDPHH-SDDRHHMPSA-N 1 3 229.343 0.666 20 0 BCADHO CC(C)(C)CC[C@@H]([NH3+])CNC[C@H]1CNCCO1 ZINC000904372171 584873087 /nfs/dbraw/zinc/87/30/87/584873087.db2.gz ZAPIMMBLQLKXGI-VXGBXAGGSA-N 1 3 243.395 0.718 20 0 BCADHO [NH3+]CC1CC(N[C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000904370984 584873412 /nfs/dbraw/zinc/87/34/12/584873412.db2.gz GYMFUSSZHHNIRA-HCWSGVFWSA-N 1 3 237.347 0.467 20 0 BCADHO CCS(=O)(=O)C[C@H](C)NC1CC(C[NH3+])C1 ZINC000904366369 584874694 /nfs/dbraw/zinc/87/46/94/584874694.db2.gz ISHMPIHHAABPJP-IDKOKCKLSA-N 1 3 234.365 0.137 20 0 BCADHO CCN(CCC(N)=O)C[C@]1(C)CCC[NH2+]C1 ZINC000904388351 584874699 /nfs/dbraw/zinc/87/46/99/584874699.db2.gz HTNLNIYIWZQVPI-GFCCVEGCSA-N 1 3 227.352 0.573 20 0 BCADHO CC[N@H+](CCC(N)=O)C[C@]1(C)CCCNC1 ZINC000904388351 584874701 /nfs/dbraw/zinc/87/47/01/584874701.db2.gz HTNLNIYIWZQVPI-GFCCVEGCSA-N 1 3 227.352 0.573 20 0 BCADHO CC[N@@H+](CCC(N)=O)C[C@]1(C)CCCNC1 ZINC000904388351 584874703 /nfs/dbraw/zinc/87/47/03/584874703.db2.gz HTNLNIYIWZQVPI-GFCCVEGCSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@]1(CN2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]C1 ZINC000904378839 584876632 /nfs/dbraw/zinc/87/66/32/584876632.db2.gz LZCVHYMIENTXMZ-UTUOFQBUSA-N 1 3 229.343 0.747 20 0 BCADHO C[C@H](NCc1ccc(N)nn1)C1CC[NH2+]CC1 ZINC000904385222 584877640 /nfs/dbraw/zinc/87/76/40/584877640.db2.gz VMIIYVNJMWPMKG-VIFPVBQESA-N 1 3 235.335 0.537 20 0 BCADHO CN(C)c1ncc(CN2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904406017 584878666 /nfs/dbraw/zinc/87/86/66/584878666.db2.gz NNNAVSPWVJMDFK-LLVKDONJSA-N 1 3 249.362 0.713 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000876831779 584887601 /nfs/dbraw/zinc/88/76/01/584887601.db2.gz KATLHFNFMJPNSF-USZNOCQGSA-N 1 3 239.363 0.713 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877081425 584889763 /nfs/dbraw/zinc/88/97/63/584889763.db2.gz AWRGAOXEDCFLNT-GARJFASQSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(CN)c1 ZINC000834822730 584914905 /nfs/dbraw/zinc/91/49/05/584914905.db2.gz YYPUOUDLXQFVQR-BDAKNGLRSA-N 1 3 221.304 0.611 20 0 BCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000762978983 585440643 /nfs/dbraw/zinc/44/06/43/585440643.db2.gz OCUALKLQHSSUQK-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC000762978983 585440644 /nfs/dbraw/zinc/44/06/44/585440644.db2.gz OCUALKLQHSSUQK-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779339870 585751494 /nfs/dbraw/zinc/75/14/94/585751494.db2.gz GFYUGOIOJQFNEO-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@H](CCO)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000779340902 585751984 /nfs/dbraw/zinc/75/19/84/585751984.db2.gz FHLCVGQZOUIYBO-GFCCVEGCSA-N 1 3 243.395 0.373 20 0 BCADHO C[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000788327761 585922073 /nfs/dbraw/zinc/92/20/73/585922073.db2.gz RNQPHYPHRGVPAM-RYUDHWBXSA-N 1 3 235.331 0.973 20 0 BCADHO C[C@@H](CCO)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000799726205 586194801 /nfs/dbraw/zinc/19/48/01/586194801.db2.gz MISNSMZEROAJCF-LBPRGKRZSA-N 1 3 243.395 0.373 20 0 BCADHO CCNCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000817860298 586830539 /nfs/dbraw/zinc/83/05/39/586830539.db2.gz FXALXQCKVHAXIG-VWYCJHECSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H](NCCN1CCC[C@@H]1C)C1C[NH2+]C1 ZINC000817912829 586831433 /nfs/dbraw/zinc/83/14/33/586831433.db2.gz JMCYMUBCGCFESI-QWRGUYRKSA-N 1 3 211.353 0.668 20 0 BCADHO CC1(C[NH2+][C@H]2CCCCC[C@@H]2N)OCCO1 ZINC000817918237 586832365 /nfs/dbraw/zinc/83/23/65/586832365.db2.gz XHHATTIVGBLZOD-QWRGUYRKSA-N 1 3 228.336 0.999 20 0 BCADHO C[C@@H](N[C@@H]1CCN(C)C1)[C@@H]1CCCC[NH2+]1 ZINC000817890758 586833251 /nfs/dbraw/zinc/83/32/51/586833251.db2.gz YMMVWWHRWSOOEM-UTUOFQBUSA-N 1 3 211.353 0.811 20 0 BCADHO CC1(C[NH2+][C@@H]2CCCCC[C@H]2N)OCCO1 ZINC000817918231 586840074 /nfs/dbraw/zinc/84/00/74/586840074.db2.gz XHHATTIVGBLZOD-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO CN(C(=O)[C@H]1NCC1(C)C)C1CCC([NH3+])CC1 ZINC000818528637 586897626 /nfs/dbraw/zinc/89/76/26/586897626.db2.gz BJKIWKAMCIPECF-VQXHTEKXSA-N 1 3 239.363 0.713 20 0 BCADHO CCNCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818534529 586898391 /nfs/dbraw/zinc/89/83/91/586898391.db2.gz GZFGUGLLIMYJRA-UHFFFAOYSA-N 1 3 235.331 0.414 20 0 BCADHO CN(C(=O)c1cccc(CN)c1)[C@@H]1CC[NH2+]C1 ZINC000818547463 586899552 /nfs/dbraw/zinc/89/95/52/586899552.db2.gz VFJNZJKINZIEJK-GFCCVEGCSA-N 1 3 233.315 0.579 20 0 BCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818559106 586900894 /nfs/dbraw/zinc/90/08/94/586900894.db2.gz YJWZHLQKWVYKGW-VWYCJHECSA-N 1 3 249.314 0.158 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000819987114 587011591 /nfs/dbraw/zinc/01/15/91/587011591.db2.gz OSJMILLESCOLKD-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831971463 587640258 /nfs/dbraw/zinc/64/02/58/587640258.db2.gz XXJNZRAGARWUHD-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831970626 587640316 /nfs/dbraw/zinc/64/03/16/587640316.db2.gz JUXRMFXUJVDMTC-PWSUYJOCSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCC[C@@H]1C ZINC000831970424 587640489 /nfs/dbraw/zinc/64/04/89/587640489.db2.gz HCLPMCACEOCPSV-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000831970605 587640656 /nfs/dbraw/zinc/64/06/56/587640656.db2.gz JJTZXWCULULILF-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000831970605 587640657 /nfs/dbraw/zinc/64/06/57/587640657.db2.gz JJTZXWCULULILF-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C1CC[NH2+]CC1 ZINC000831971383 587640719 /nfs/dbraw/zinc/64/07/19/587640719.db2.gz WQQSNQJZWAWBIN-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)CC1(C[NH3+])CC1 ZINC000831970700 587640751 /nfs/dbraw/zinc/64/07/51/587640751.db2.gz KPMPKVYGEYZPLF-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NCCN1CCC[C@@H]1C ZINC000831970621 587640757 /nfs/dbraw/zinc/64/07/57/587640757.db2.gz JUKMDHLZUBUPPY-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000832135910 587646312 /nfs/dbraw/zinc/64/63/12/587646312.db2.gz UFUHQKVLJDLSPG-ZYHUDNBSSA-N 1 3 243.326 0.098 20 0 BCADHO CN(C)CCN(C(=O)C[C@H]([NH3+])C1CC1)C1CC1 ZINC000832157917 587647158 /nfs/dbraw/zinc/64/71/58/587647158.db2.gz FEYSHOROISPKNC-LBPRGKRZSA-N 1 3 239.363 0.666 20 0 BCADHO NCc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000832322011 587654182 /nfs/dbraw/zinc/65/41/82/587654182.db2.gz CGULTZHSAUJJLZ-GFCCVEGCSA-N 1 3 233.315 0.627 20 0 BCADHO CC[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832607230 587669080 /nfs/dbraw/zinc/66/90/80/587669080.db2.gz VAXUHPHICORIMS-NSHDSACASA-N 1 3 237.303 0.700 20 0 BCADHO C[C@@H]1CN(C(=O)c2cccc(CN)c2)CC[C@@H]1[NH3+] ZINC000832737514 587681504 /nfs/dbraw/zinc/68/15/04/587681504.db2.gz XEPDNFDIZNGGQR-MFKMUULPSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)c1cccc(CN)c1 ZINC000834452996 587755300 /nfs/dbraw/zinc/75/53/00/587755300.db2.gz MEKVCMMZAJIIIB-SECBINFHSA-N 1 3 221.304 0.612 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](C)NC2CC2)CC[C@@H]1[NH3+] ZINC000834646936 587762629 /nfs/dbraw/zinc/76/26/29/587762629.db2.gz KMNBLVFSSJOJBS-FOGDFJRCSA-N 1 3 239.363 0.713 20 0 BCADHO CCCCCCN(C)CC(=O)NC[C@@H](C)[NH3+] ZINC000834687113 587764357 /nfs/dbraw/zinc/76/43/57/587764357.db2.gz SJMGZAYAIBXBIW-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO [NH3+]CCCCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000834797360 587767180 /nfs/dbraw/zinc/76/71/80/587767180.db2.gz WXOBYRRSXGIDCV-UWVGGRQHSA-N 1 3 231.315 0.322 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000834791297 587767313 /nfs/dbraw/zinc/76/73/13/587767313.db2.gz GRLFLYUYLRFALL-MWLCHTKSSA-N 1 3 237.347 0.385 20 0 BCADHO CC[C@](C)(CC(=O)OC)NCCC[NH3+] ZINC000841011274 587935251 /nfs/dbraw/zinc/93/52/51/587935251.db2.gz GTSTWGRCUYBAOL-SNVBAGLBSA-N 1 3 202.298 0.657 20 0 BCADHO CC[C@](C)(CC(=O)OC)[NH2+]CCCN ZINC000841011274 587935252 /nfs/dbraw/zinc/93/52/52/587935252.db2.gz GTSTWGRCUYBAOL-SNVBAGLBSA-N 1 3 202.298 0.657 20 0 BCADHO C[C@H](C[NH3+])NC(=O)NC[C@H](C)N1CCCCC1 ZINC000841725591 587973085 /nfs/dbraw/zinc/97/30/85/587973085.db2.gz NRFBEEWWZYHMTN-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](CNC(=O)N(C)CC[NH3+])N1CCCCC1 ZINC000841725311 587973335 /nfs/dbraw/zinc/97/33/35/587973335.db2.gz LROINKIBULLHEW-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO C[C@@H](CNC(=O)NCC[NH3+])N1CCCCC1 ZINC000841724462 587973363 /nfs/dbraw/zinc/97/33/63/587973363.db2.gz FYEAQJIMMUXVLO-JTQLQIEISA-N 1 3 228.340 0.119 20 0 BCADHO CN(C(=O)[C@]1(F)CCNC1)C1(C[NH3+])CCC1 ZINC000841852016 587975771 /nfs/dbraw/zinc/97/57/71/587975771.db2.gz BVIDZDGUAGXNQR-NSHDSACASA-N 1 3 229.299 0.028 20 0 BCADHO C[C@H]1CN(C(=O)c2cccc(C[NH3+])c2)[C@@H](C)CN1 ZINC000841849490 587977720 /nfs/dbraw/zinc/97/77/20/587977720.db2.gz XRKUYZDERRQJEM-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CCNCC1(C)C ZINC000841849135 587977924 /nfs/dbraw/zinc/97/79/24/587977924.db2.gz WFTLGIXVVSONIU-SECBINFHSA-N 1 3 225.336 0.337 20 0 BCADHO CCNCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000841849609 587978001 /nfs/dbraw/zinc/97/80/01/587978001.db2.gz CUUXGJZHMQHJEG-UHFFFAOYSA-N 1 3 235.331 0.583 20 0 BCADHO O=C(N(C1CC1)[C@@H]1CC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000841848628 587978006 /nfs/dbraw/zinc/97/80/06/587978006.db2.gz SUFYJZZHKRBFRT-ZYHUDNBSSA-N 1 3 241.310 0.041 20 0 BCADHO C[C@H]1NCCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000841850242 587978011 /nfs/dbraw/zinc/97/80/11/587978011.db2.gz GGZQTZVBUQHMRD-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H](C)[NH2+]C2CC2)CCN1 ZINC000841850668 587978190 /nfs/dbraw/zinc/97/81/90/587978190.db2.gz BKTCDNUTOWGOBB-ZYHUDNBSSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H]1NCCN(C(=O)c2cccc(C[NH3+])c2)[C@H]1C ZINC000841850422 587978346 /nfs/dbraw/zinc/97/83/46/587978346.db2.gz SQNCBINXAGDNGB-QWRGUYRKSA-N 1 3 247.342 0.968 20 0 BCADHO O=C(Nc1ccc2c(c1)CNC2)[C@]1(F)CC[NH2+]C1 ZINC000841852156 587978362 /nfs/dbraw/zinc/97/83/62/587978362.db2.gz GGUQXUSENNWVIA-ZDUSSCGKSA-N 1 3 249.289 0.930 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)CCN1 ZINC000841851262 587978537 /nfs/dbraw/zinc/97/85/37/587978537.db2.gz KBMOTSPJDYDONA-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO CCNC(=O)CN(C)CCCCCCC[NH3+] ZINC000842471868 588029089 /nfs/dbraw/zinc/02/90/89/588029089.db2.gz DJVVETVODMSSDD-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842513089 588032288 /nfs/dbraw/zinc/03/22/88/588032288.db2.gz RSQXWQJAACEYRS-DGCLKSJQSA-N 1 3 239.363 0.714 20 0 BCADHO CCNCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000843490734 588115718 /nfs/dbraw/zinc/11/57/18/588115718.db2.gz XFPGEZYFTYKXOX-NSHDSACASA-N 1 3 227.352 0.539 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000843505804 588117195 /nfs/dbraw/zinc/11/71/95/588117195.db2.gz NOWSUKURYALKLC-MNOVXSKESA-N 1 3 229.368 0.995 20 0 BCADHO CCNCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000843513057 588117944 /nfs/dbraw/zinc/11/79/44/588117944.db2.gz SFSLFNUDPHDXPR-UHFFFAOYSA-N 1 3 221.304 0.371 20 0 BCADHO C[NH+](C)CCCCNC(=O)[C@]1(F)CCNC1 ZINC000844169913 588171361 /nfs/dbraw/zinc/17/13/61/588171361.db2.gz DUNNBYDHNCZONN-NSHDSACASA-N 1 3 231.315 0.146 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)CNCC)CC1 ZINC000844177163 588172194 /nfs/dbraw/zinc/17/21/94/588172194.db2.gz GXPBMFMDQJSESG-UHFFFAOYSA-N 1 3 241.379 0.834 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000844178337 588172462 /nfs/dbraw/zinc/17/24/62/588172462.db2.gz PKRIHSBXQPDOGP-PWSUYJOCSA-N 1 3 243.326 0.146 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCNC2)C1 ZINC000844178337 588172464 /nfs/dbraw/zinc/17/24/64/588172464.db2.gz PKRIHSBXQPDOGP-PWSUYJOCSA-N 1 3 243.326 0.146 20 0 BCADHO COCCN1CCN(CCCCCC[NH3+])CC1 ZINC000846222778 588261659 /nfs/dbraw/zinc/26/16/59/588261659.db2.gz ZMUZHOVTWNKLDZ-UHFFFAOYSA-N 1 3 243.395 0.770 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@]1(F)CCNC1 ZINC000846743491 588284124 /nfs/dbraw/zinc/28/41/24/588284124.db2.gz ZLUDOCYVFABDNP-KKZNHRDASA-N 1 3 229.299 0.026 20 0 BCADHO CN[C@@H](C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000848393592 588376524 /nfs/dbraw/zinc/37/65/24/588376524.db2.gz HNJKCNKOYXTVLB-JTQLQIEISA-N 1 3 235.331 0.412 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848720953 588408351 /nfs/dbraw/zinc/40/83/51/588408351.db2.gz FNCVICHUNBXJAW-MXWKQRLJSA-N 1 3 239.319 0.439 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722353 588408559 /nfs/dbraw/zinc/40/85/59/588408559.db2.gz SLGNIPOBDFQHAK-IQJOONFLSA-N 1 3 241.335 0.685 20 0 BCADHO CC(C)[C@@H](CNC1=[NH+]CCN1C)N1CCCC1 ZINC000848984173 588424742 /nfs/dbraw/zinc/42/47/42/588424742.db2.gz VXMRVHSNTPZCJB-GFCCVEGCSA-N 1 3 238.379 0.998 20 0 BCADHO CNC(=[NH2+])NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000848986947 588425532 /nfs/dbraw/zinc/42/55/32/588425532.db2.gz BPSRWALHOWPIGC-NXEZZACHSA-N 1 3 212.341 0.851 20 0 BCADHO CC[C@H](C)NC(=[NH2+])NCCNc1ccncc1 ZINC000848995213 588428437 /nfs/dbraw/zinc/42/84/37/588428437.db2.gz GVGHWAVKBBWHMW-JTQLQIEISA-N 1 3 235.335 0.828 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)NC1CCCC1 ZINC000848995187 588428488 /nfs/dbraw/zinc/42/84/88/588428488.db2.gz CMDJOPMYCYZQAL-UHFFFAOYSA-N 1 3 247.346 0.972 20 0 BCADHO CNC(=[NH2+])NCC1(N2CCCC2)CCOCC1 ZINC000849006238 588432461 /nfs/dbraw/zinc/43/24/61/588432461.db2.gz MEIYTPXATLXGEC-UHFFFAOYSA-N 1 3 240.351 0.375 20 0 BCADHO CN1CC[C@](O)(CNC(=[NH2+])N2CCCCC2)C1 ZINC000849019076 588438176 /nfs/dbraw/zinc/43/81/76/588438176.db2.gz GMVCRKHBGXGYQF-LBPRGKRZSA-N 1 3 240.351 0.063 20 0 BCADHO CC(C)NCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000851638400 588612391 /nfs/dbraw/zinc/61/23/91/588612391.db2.gz DLNFCWZZVSWVPS-GFCCVEGCSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000851638401 588612650 /nfs/dbraw/zinc/61/26/50/588612650.db2.gz DLNFCWZZVSWVPS-LBPRGKRZSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](CCO)C1CC1 ZINC000851934173 588645313 /nfs/dbraw/zinc/64/53/13/588645313.db2.gz ZYCGDPXZOWLQFL-STQMWFEESA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](CCO)C1CC1 ZINC000851934173 588645314 /nfs/dbraw/zinc/64/53/14/588645314.db2.gz ZYCGDPXZOWLQFL-STQMWFEESA-N 1 3 244.379 0.438 20 0 BCADHO C([C@H]1CNCCO1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852747892 588699645 /nfs/dbraw/zinc/69/96/45/588699645.db2.gz ASBFQOPVVPJVJM-OLZOCXBDSA-N 1 3 239.363 0.050 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1NCC12CCCC2 ZINC000852825153 588706180 /nfs/dbraw/zinc/70/61/80/588706180.db2.gz LAEJAXIMPUQZDT-QWRGUYRKSA-N 1 3 237.347 0.387 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)c1cc2c(s1)CCNC2 ZINC000852828690 588706316 /nfs/dbraw/zinc/70/63/16/588706316.db2.gz NUQQHQQXXTVZCT-ZETCQYMHSA-N 1 3 239.344 0.471 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CNCCC1(F)F ZINC000852832545 588706732 /nfs/dbraw/zinc/70/67/32/588706732.db2.gz NDYGIWVRRIJVFH-YUMQZZPRSA-N 1 3 235.278 0.098 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CNCCC1(F)F ZINC000852833019 588706856 /nfs/dbraw/zinc/70/68/56/588706856.db2.gz SPPNVWVYYKRAGO-DJLDLDEBSA-N 1 3 247.289 0.227 20 0 BCADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000852838750 588707282 /nfs/dbraw/zinc/70/72/82/588707282.db2.gz NSEZMIRLCNUVQA-MXWKQRLJSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000852838750 588707283 /nfs/dbraw/zinc/70/72/83/588707283.db2.gz NSEZMIRLCNUVQA-MXWKQRLJSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)CN(C(=O)C=C2CC[NH2+]CC2)CCN1 ZINC000852882900 588710820 /nfs/dbraw/zinc/71/08/20/588710820.db2.gz RMCYJKXLXRCBBF-UHFFFAOYSA-N 1 3 237.347 0.507 20 0 BCADHO O=C(C=C1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000852880499 588710958 /nfs/dbraw/zinc/71/09/58/588710958.db2.gz ATJPSTPTGHCRNM-QWRGUYRKSA-N 1 3 241.310 0.112 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000861564033 589168529 /nfs/dbraw/zinc/16/85/29/589168529.db2.gz HBNPJVGYQJOXGJ-UWVGGRQHSA-N 1 3 228.340 0.069 20 0 BCADHO CCN(CCNC(=O)N(C)C[C@@H](C)[NH3+])C1CC1 ZINC000861569787 589168574 /nfs/dbraw/zinc/16/85/74/589168574.db2.gz DVCQYSYJAKUWNS-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000861582476 589169003 /nfs/dbraw/zinc/16/90/03/589169003.db2.gz XDPYNZIYBGOGFP-VHSXEESVSA-N 1 3 240.351 0.212 20 0 BCADHO CCn1ncc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000863540861 589296459 /nfs/dbraw/zinc/29/64/59/589296459.db2.gz USVJZUYRLGEIAA-GRYCIOLGSA-N 1 3 249.362 0.776 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000863541888 589297297 /nfs/dbraw/zinc/29/72/97/589297297.db2.gz LVADZQQAZCLPHJ-QXEWZRGKSA-N 1 3 226.320 0.964 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000863541888 589297298 /nfs/dbraw/zinc/29/72/98/589297298.db2.gz LVADZQQAZCLPHJ-QXEWZRGKSA-N 1 3 226.320 0.964 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)N(C)C ZINC000863584811 589301556 /nfs/dbraw/zinc/30/15/56/589301556.db2.gz DWEWQYGYQMAUIB-IUCAKERBSA-N 1 3 249.305 0.440 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)N(C)C ZINC000863584810 589301745 /nfs/dbraw/zinc/30/17/45/589301745.db2.gz DWEWQYGYQMAUIB-DTWKUNHWSA-N 1 3 249.305 0.440 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)N(C)C ZINC000863585257 589302145 /nfs/dbraw/zinc/30/21/45/589302145.db2.gz SYQZKDDWJJLZHQ-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000864456579 589367251 /nfs/dbraw/zinc/36/72/51/589367251.db2.gz JPSPENXDHGTUAN-GMTAPVOTSA-N 1 3 224.352 0.851 20 0 BCADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000864456682 589367519 /nfs/dbraw/zinc/36/75/19/589367519.db2.gz JPSPENXDHGTUAN-VWYCJHECSA-N 1 3 224.352 0.851 20 0 BCADHO C[C@@H]1C[C@H]1NC(=[NH2+])NCCNC(C)(C)C ZINC000864458578 589368279 /nfs/dbraw/zinc/36/82/79/589368279.db2.gz OBGPDBDRLNDOBH-RKDXNWHRSA-N 1 3 212.341 0.897 20 0 BCADHO CCC(CC)NC(=[NH2+])NC[C@@]1(O)CCN(C)C1 ZINC000864464038 589370061 /nfs/dbraw/zinc/37/00/61/589370061.db2.gz PLRKWZWOAXOQLV-LBPRGKRZSA-N 1 3 242.367 0.356 20 0 BCADHO CN1CCC(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000120390117 589409024 /nfs/dbraw/zinc/40/90/24/589409024.db2.gz SNNPCNWXTNOSLU-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CCNCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000868049397 589546935 /nfs/dbraw/zinc/54/69/35/589546935.db2.gz WKFBNLBIVYIPKI-NSHDSACASA-N 1 3 247.342 0.760 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870874134 589693568 /nfs/dbraw/zinc/69/35/68/589693568.db2.gz UYDDPGNVGBUFLM-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000870892831 589695051 /nfs/dbraw/zinc/69/50/51/589695051.db2.gz NDMSVVJZWIYGER-MXWKQRLJSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870913113 589696800 /nfs/dbraw/zinc/69/68/00/589696800.db2.gz QLBZGAMJKGFWJE-IRCOFANPSA-N 1 3 239.363 0.713 20 0 BCADHO [NH3+][C@H]1C[C@@H](CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000870965166 589702158 /nfs/dbraw/zinc/70/21/58/589702158.db2.gz MZUMMMHJNRVBEG-SWZMTVOYSA-N 1 3 245.326 0.757 20 0 BCADHO NC[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870972233 589703774 /nfs/dbraw/zinc/70/37/74/589703774.db2.gz WYNFUZVTBKTDNG-DRZSPHRISA-N 1 3 247.342 0.582 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981529 589704784 /nfs/dbraw/zinc/70/47/84/589704784.db2.gz JGKAZQOBRMKGBL-SRVKXCTJSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981529 589704785 /nfs/dbraw/zinc/70/47/85/589704785.db2.gz JGKAZQOBRMKGBL-SRVKXCTJSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981526 589704788 /nfs/dbraw/zinc/70/47/88/589704788.db2.gz JGKAZQOBRMKGBL-QJPTWQEYSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981526 589704789 /nfs/dbraw/zinc/70/47/89/589704789.db2.gz JGKAZQOBRMKGBL-QJPTWQEYSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000870986201 589705760 /nfs/dbraw/zinc/70/57/60/589705760.db2.gz IPUHNGLGITVQSX-NSHDSACASA-N 1 3 241.379 0.831 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985947 589706200 /nfs/dbraw/zinc/70/62/00/589706200.db2.gz KZGCNKIZJAVCIS-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870989818 589708107 /nfs/dbraw/zinc/70/81/07/589708107.db2.gz PTYQCSGBXLZLJM-GWCFXTLKSA-N 1 3 241.379 0.818 20 0 BCADHO COCCN(C)C(=[NH2+])NCC(C)(C)CN(C)C ZINC000871603327 589773325 /nfs/dbraw/zinc/77/33/25/589773325.db2.gz OHVZJXVVBJIMTB-UHFFFAOYSA-N 1 3 244.383 0.677 20 0 BCADHO COCCN(C)C(=[NH2+])NC[C@@H]1CCCN(C)C1 ZINC000871604946 589773963 /nfs/dbraw/zinc/77/39/63/589773963.db2.gz JQVSIPXLEHFORV-NSHDSACASA-N 1 3 242.367 0.431 20 0 BCADHO CCN(CC)CCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000871966142 589848667 /nfs/dbraw/zinc/84/86/67/589848667.db2.gz XKCXKCFEUONRDD-GFCCVEGCSA-N 1 3 246.395 0.830 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000872141057 589881675 /nfs/dbraw/zinc/88/16/75/589881675.db2.gz JLUAMZFODFUSIP-UMSGYPCISA-N 1 3 240.347 0.353 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000872141057 589881676 /nfs/dbraw/zinc/88/16/76/589881676.db2.gz JLUAMZFODFUSIP-UMSGYPCISA-N 1 3 240.347 0.353 20 0 BCADHO CS[C@H]1C[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000872224333 589897077 /nfs/dbraw/zinc/89/70/77/589897077.db2.gz AKSVTGOCRGQFCZ-DLOVCJGASA-N 1 3 244.404 0.925 20 0 BCADHO CS[C@H]1C[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000872224333 589897079 /nfs/dbraw/zinc/89/70/79/589897079.db2.gz AKSVTGOCRGQFCZ-DLOVCJGASA-N 1 3 244.404 0.925 20 0 BCADHO CS[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872224864 589897288 /nfs/dbraw/zinc/89/72/88/589897288.db2.gz PJUCGZQAKNYJEI-IJLUTSLNSA-N 1 3 244.404 0.927 20 0 BCADHO CCNCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872267970 589902935 /nfs/dbraw/zinc/90/29/35/589902935.db2.gz RFPYBXXWWBTTMP-TXEJJXNPSA-N 1 3 225.336 0.054 20 0 BCADHO CC1(C)CC[NH2+]CCN1C(=O)[C@H](N)CC(F)F ZINC000872297104 589906979 /nfs/dbraw/zinc/90/69/79/589906979.db2.gz GOZWUGJTCWQDLN-MRVPVSSYSA-N 1 3 249.305 0.569 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872296946 589907206 /nfs/dbraw/zinc/90/72/06/589907206.db2.gz CHCVVURSANIUFD-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCNCCC1(C)C ZINC000872298801 589907819 /nfs/dbraw/zinc/90/78/19/589907819.db2.gz UIRVMGMOAIRGIW-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)N1CCNCCC1(C)C ZINC000872298897 589908295 /nfs/dbraw/zinc/90/82/95/589908295.db2.gz WDYASYDUZMXZDZ-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000124090386 589940441 /nfs/dbraw/zinc/94/04/41/589940441.db2.gz LLZOFOLCNBVRLH-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CCO)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201431 589993376 /nfs/dbraw/zinc/99/33/76/589993376.db2.gz UFGOFTWIUPFXRA-UHFFFAOYSA-N 1 3 226.345 0.818 20 0 BCADHO CCNCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000125652772 590176413 /nfs/dbraw/zinc/17/64/13/590176413.db2.gz CZDRHLNYMFVZPL-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCNCC1 ZINC000876505291 590204499 /nfs/dbraw/zinc/20/44/99/590204499.db2.gz BBKLGSZWSSWKGK-DNDCWNJCSA-N 1 3 237.347 0.220 20 0 BCADHO CN1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876710405 590232499 /nfs/dbraw/zinc/23/24/99/590232499.db2.gz KBKQEWDFMHJOHR-MNOVXSKESA-N 1 3 239.363 0.570 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876712535 590232503 /nfs/dbraw/zinc/23/25/03/590232503.db2.gz IQTYBIGAMJMRDU-QWRGUYRKSA-N 1 3 243.326 0.146 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCN1CCCC1 ZINC000876712753 590232692 /nfs/dbraw/zinc/23/26/92/590232692.db2.gz JJRPHXKQGXVDPK-GHMZBOCLSA-N 1 3 239.363 0.572 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876712534 590232761 /nfs/dbraw/zinc/23/27/61/590232761.db2.gz IQTYBIGAMJMRDU-MNOVXSKESA-N 1 3 243.326 0.146 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000876734067 590234489 /nfs/dbraw/zinc/23/44/89/590234489.db2.gz OKJMZYRGKURZQU-GARJFASQSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC[NH2+]CC1CC1 ZINC000876831262 590247355 /nfs/dbraw/zinc/24/73/55/590247355.db2.gz FCQFOPAIGDPKQR-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H]1C ZINC000876831765 590247441 /nfs/dbraw/zinc/24/74/41/590247441.db2.gz JUBGRIBHRUTKGO-HXFLIBJXSA-N 1 3 247.289 0.035 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)[C@H]1C ZINC000876833828 590248038 /nfs/dbraw/zinc/24/80/38/590248038.db2.gz YGXBXDWVYYROAS-NAKRPEOUSA-N 1 3 239.363 0.569 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876846346 590249081 /nfs/dbraw/zinc/24/90/81/590249081.db2.gz AWYXDTZMLHFOQQ-DTWKUNHWSA-N 1 3 213.325 0.038 20 0 BCADHO CC1(C)[C@H](C(=O)N2CCNC(C)(C)C2)C[C@@H]1[NH3+] ZINC000876873113 590252003 /nfs/dbraw/zinc/25/20/03/590252003.db2.gz WCLUZVCPYNWQHA-UWVGGRQHSA-N 1 3 239.363 0.570 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000876978710 590264485 /nfs/dbraw/zinc/26/44/85/590264485.db2.gz NYEBSEOMEPQIFH-SGIHWFKDSA-N 1 3 243.326 0.258 20 0 BCADHO CC[N@H+](CCN[C@H]1CCCNC(=O)C1)C(C)C ZINC000876995944 590266876 /nfs/dbraw/zinc/26/68/76/590266876.db2.gz KLVSZPJADIISLM-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC[N@@H+](CCN[C@H]1CCCNC(=O)C1)C(C)C ZINC000876995944 590266878 /nfs/dbraw/zinc/26/68/78/590266878.db2.gz KLVSZPJADIISLM-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CCN(CC[NH3+])C(=O)c1cccc(CN)c1 ZINC000877006441 590268465 /nfs/dbraw/zinc/26/84/65/590268465.db2.gz KQPGRQPPZBAAPY-UHFFFAOYSA-N 1 3 221.304 0.566 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095085 590278650 /nfs/dbraw/zinc/27/86/50/590278650.db2.gz INUVSFNMSCEPON-WCBMZHEXSA-N 1 3 201.314 0.310 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000877095806 590281842 /nfs/dbraw/zinc/28/18/42/590281842.db2.gz RWUSFIGZQMMEKH-PWSUYJOCSA-N 1 3 235.331 0.535 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)Cc1ccccc1 ZINC000877095026 590282188 /nfs/dbraw/zinc/28/21/88/590282188.db2.gz GTVNNLALYVQYMY-PWSUYJOCSA-N 1 3 235.331 0.362 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@H]1CNCCC1(F)F ZINC000877102214 590283156 /nfs/dbraw/zinc/28/31/56/590283156.db2.gz BYNHNBNECDSNFL-JGVFFNPUSA-N 1 3 235.278 0.037 20 0 BCADHO CCN(CC)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877103092 590283904 /nfs/dbraw/zinc/28/39/04/590283904.db2.gz QCUXFKGIYOORNK-VIFPVBQESA-N 1 3 201.314 0.134 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000877103663 590284275 /nfs/dbraw/zinc/28/42/75/590284275.db2.gz XOHFNIPNLFSRSW-ZYHUDNBSSA-N 1 3 235.331 0.882 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877103643 590284336 /nfs/dbraw/zinc/28/43/36/590284336.db2.gz XCSFCZPOAAGHLI-CIUDSAMLSA-N 1 3 201.314 0.165 20 0 BCADHO CC1(C)CC[C@H](CNC(=O)C2(N)CC2)[NH2+]C1 ZINC000877158415 590291542 /nfs/dbraw/zinc/29/15/42/590291542.db2.gz SIXYQINLEKYLBG-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242919 590302587 /nfs/dbraw/zinc/30/25/87/590302587.db2.gz AFJNGUSWPPFWCB-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000877243405 590302679 /nfs/dbraw/zinc/30/26/79/590302679.db2.gz KHTREEAJRYFYES-GWOFURMSSA-N 1 3 225.336 0.228 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877242834 590302714 /nfs/dbraw/zinc/30/27/14/590302714.db2.gz BCRVTOFYMRDMKI-GMTAPVOTSA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+][C@H]1C[C@@H](CNC(=O)C2(NC3CC3)CCC2)C1 ZINC000877242205 590302731 /nfs/dbraw/zinc/30/27/31/590302731.db2.gz HXPJOFYQEMRGPS-AOOOYVTPSA-N 1 3 237.347 0.515 20 0 BCADHO CCNCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245441 590303188 /nfs/dbraw/zinc/30/31/88/590303188.db2.gz HSFASAGIGLJQLR-JGPRNRPPSA-N 1 3 225.336 0.243 20 0 BCADHO CCNCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877248931 590303629 /nfs/dbraw/zinc/30/36/29/590303629.db2.gz GJJSLFAKVADMHI-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CCNCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877248931 590303630 /nfs/dbraw/zinc/30/36/30/590303630.db2.gz GJJSLFAKVADMHI-GHMZBOCLSA-N 1 3 225.336 0.149 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272290 590305608 /nfs/dbraw/zinc/30/56/08/590305608.db2.gz HIVBKTAJHCAEEU-GMTAPVOTSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877284750 590306810 /nfs/dbraw/zinc/30/68/10/590306810.db2.gz VZKKAZGWQUVWQI-NWDGAFQWSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877288474 590307220 /nfs/dbraw/zinc/30/72/20/590307220.db2.gz PFBNTBFCBQXQAY-IVZWLZJFSA-N 1 3 211.309 0.077 20 0 BCADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CC[NH2+]1 ZINC000877342600 590318148 /nfs/dbraw/zinc/31/81/48/590318148.db2.gz DQEQXWXHCDQNOP-QWHCGFSZSA-N 1 3 245.326 0.179 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877346782 590318670 /nfs/dbraw/zinc/31/86/70/590318670.db2.gz NBRFEFXROJXHFH-LBPRGKRZSA-N 1 3 233.315 0.037 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877374160 590319762 /nfs/dbraw/zinc/31/97/62/590319762.db2.gz ZBLSTVDUUDFKTD-OUJBWJOFSA-N 1 3 237.347 0.195 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373785 590319923 /nfs/dbraw/zinc/31/99/23/590319923.db2.gz JADBHNTTYFAGQP-HOSYDEDBSA-N 1 3 225.336 0.038 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375232 590320239 /nfs/dbraw/zinc/32/02/39/590320239.db2.gz VVBJSMIWKVYIBP-MPPDQPJWSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380083 590320511 /nfs/dbraw/zinc/32/05/11/590320511.db2.gz RIHXMSLRCCEJFU-GMXVVIOVSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)NCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386076 590320645 /nfs/dbraw/zinc/32/06/45/590320645.db2.gz GIJWZIITYRJCPN-ZYHUDNBSSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391504 590321978 /nfs/dbraw/zinc/32/19/78/590321978.db2.gz OGTATBVWLSSVSI-NDMJEZRESA-N 1 3 237.347 0.528 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877393151 590322034 /nfs/dbraw/zinc/32/20/34/590322034.db2.gz WDASVUHAHSVEIA-GIPNMCIBSA-N 1 3 237.347 0.385 20 0 BCADHO CCCN(C)CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391047 590322489 /nfs/dbraw/zinc/32/24/89/590322489.db2.gz MAMONKIYHVSBKF-YPMHNXCESA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H](N)C(=O)N(C)CCCCCC[NH3+] ZINC000877444481 590328705 /nfs/dbraw/zinc/32/87/05/590328705.db2.gz MEEKJEQZHKBEDA-VIFPVBQESA-N 1 3 201.314 0.311 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)C(C)(C)N ZINC000877444564 590328933 /nfs/dbraw/zinc/32/89/33/590328933.db2.gz ODGFXABAGLCSJB-UHFFFAOYSA-N 1 3 215.341 0.701 20 0 BCADHO CC(C)CN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878000347 590469443 /nfs/dbraw/zinc/46/94/43/590469443.db2.gz BHLWUULZCQAWFD-UHFFFAOYSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879573768 590809717 /nfs/dbraw/zinc/80/97/17/590809717.db2.gz RCUJKGZVFOUZPS-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879573768 590809720 /nfs/dbraw/zinc/80/97/20/590809720.db2.gz RCUJKGZVFOUZPS-SRVKXCTJSA-N 1 3 212.337 0.783 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879573658 590811595 /nfs/dbraw/zinc/81/15/95/590811595.db2.gz PJGBNSUXYPKZJP-UTUOFQBUSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879573658 590811598 /nfs/dbraw/zinc/81/15/98/590811598.db2.gz PJGBNSUXYPKZJP-UTUOFQBUSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879582024 590819849 /nfs/dbraw/zinc/81/98/49/590819849.db2.gz PJGBNSUXYPKZJP-SDDRHHMPSA-N 1 3 228.336 0.020 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879582024 590819850 /nfs/dbraw/zinc/81/98/50/590819850.db2.gz PJGBNSUXYPKZJP-SDDRHHMPSA-N 1 3 228.336 0.020 20 0 BCADHO C[C@H](CO)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580815 590821043 /nfs/dbraw/zinc/82/10/43/590821043.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879580815 590821047 /nfs/dbraw/zinc/82/10/47/590821047.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580815 590821051 /nfs/dbraw/zinc/82/10/51/590821051.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CO)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580815 590821052 /nfs/dbraw/zinc/82/10/52/590821052.db2.gz KXVRWLOXWRPWLM-TUAOUCFPSA-N 1 3 212.337 0.641 20 0 BCADHO COC[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1)OC ZINC000879581340 590822152 /nfs/dbraw/zinc/82/21/52/590822152.db2.gz YRCFIYBGUNBIJN-FRRDWIJNSA-N 1 3 242.363 0.674 20 0 BCADHO COC[C@H](C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1)OC ZINC000879581340 590822155 /nfs/dbraw/zinc/82/21/55/590822155.db2.gz YRCFIYBGUNBIJN-FRRDWIJNSA-N 1 3 242.363 0.674 20 0 BCADHO CCN(CCNC(=O)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000130658597 591494633 /nfs/dbraw/zinc/49/46/33/591494633.db2.gz FXVPVOIDUAAKIA-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[NH+](C)C ZINC000131118495 591554709 /nfs/dbraw/zinc/55/47/09/591554709.db2.gz ZLKYOPSJXOTPKL-JTQLQIEISA-N 1 3 247.342 0.970 20 0 BCADHO COC[C@@H](NCCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000883164784 591558501 /nfs/dbraw/zinc/55/85/01/591558501.db2.gz ODCAMPAVUNWRSS-CHWSQXEVSA-N 1 3 244.379 0.969 20 0 BCADHO CN(C[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000883423463 591658879 /nfs/dbraw/zinc/65/88/79/591658879.db2.gz LPNHKULBKCHBRL-GMXVVIOVSA-N 1 3 241.354 0.855 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]CCN1CCOC1=O ZINC000883429835 591661671 /nfs/dbraw/zinc/66/16/71/591661671.db2.gz GBJQPXQARKQKHB-SNVBAGLBSA-N 1 3 241.335 0.416 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]CCN1CCOC1=O ZINC000883429834 591661943 /nfs/dbraw/zinc/66/19/43/591661943.db2.gz GBJQPXQARKQKHB-JTQLQIEISA-N 1 3 241.335 0.416 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884017512 591800562 /nfs/dbraw/zinc/80/05/62/591800562.db2.gz YVKSORWEYWBRAW-MNOVXSKESA-N 1 3 225.336 0.230 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000884024925 591805616 /nfs/dbraw/zinc/80/56/16/591805616.db2.gz HSLQCKLQYVGLGH-SKDRFNHKSA-N 1 3 239.363 0.700 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](N)CC2CC2)CC1 ZINC000884029839 591813667 /nfs/dbraw/zinc/81/36/67/591813667.db2.gz YPQRUQZYKHNUEZ-LLVKDONJSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@](C[NH3+])(NC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000884031457 591815534 /nfs/dbraw/zinc/81/55/34/591815534.db2.gz PRVZAWZIIPIMTM-CMPLNLGQSA-N 1 3 225.336 0.357 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884032784 591816027 /nfs/dbraw/zinc/81/60/27/591816027.db2.gz BQFJPRONMRNQMP-MNOVXSKESA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)CC1CC1 ZINC000884034412 591816305 /nfs/dbraw/zinc/81/63/05/591816305.db2.gz DNDVDZWCYLNGQJ-VHSXEESVSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884032783 591816635 /nfs/dbraw/zinc/81/66/35/591816635.db2.gz BQFJPRONMRNQMP-GHMZBOCLSA-N 1 3 227.352 0.603 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884039006 591820944 /nfs/dbraw/zinc/82/09/44/591820944.db2.gz BCXHFPNLVJLEGN-GRYCIOLGSA-N 1 3 237.347 0.467 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CC1CC1 ZINC000884040296 591821787 /nfs/dbraw/zinc/82/17/87/591821787.db2.gz PPOYANUCKZDWAS-WDEREUQCSA-N 1 3 225.336 0.324 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CC1CC1 ZINC000884039704 591822351 /nfs/dbraw/zinc/82/23/51/591822351.db2.gz XAUOUSKJSCKMEU-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO CN(C(=O)[C@@H](N)CC1CC1)C1CCC([NH3+])CC1 ZINC000884040919 591823756 /nfs/dbraw/zinc/82/37/56/591823756.db2.gz HFZKKRLIUBYEPH-MCIGGMRASA-N 1 3 239.363 0.842 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H]1CCCN1C ZINC000884198418 591871862 /nfs/dbraw/zinc/87/18/62/591871862.db2.gz WDPGFNZDJGJLSV-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@@H](N)CC1CC1)C1CC1 ZINC000884196530 591872917 /nfs/dbraw/zinc/87/29/17/591872917.db2.gz UFLOSEOEGOAUMM-NWDGAFQWSA-N 1 3 239.363 0.570 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000884253493 591885636 /nfs/dbraw/zinc/88/56/36/591885636.db2.gz MCWAIXHTGPMGPT-LLVKDONJSA-N 1 3 223.320 0.150 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000884277404 591892543 /nfs/dbraw/zinc/89/25/43/591892543.db2.gz NTOZMVJXAFPPGR-RYUDHWBXSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884279560 591892790 /nfs/dbraw/zinc/89/27/90/591892790.db2.gz OEABTESGRLJNHZ-ZYHUDNBSSA-N 1 3 225.336 0.311 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000884296625 591897191 /nfs/dbraw/zinc/89/71/91/591897191.db2.gz BPEPKKOYKVFKFG-JGVFFNPUSA-N 1 3 235.278 0.213 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000884302400 591899772 /nfs/dbraw/zinc/89/97/72/591899772.db2.gz PYLHCTYIHUNFGE-MXWKQRLJSA-N 1 3 225.336 0.357 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336890 591905646 /nfs/dbraw/zinc/90/56/46/591905646.db2.gz ZGXUDLVBTKDXLW-RYUDHWBXSA-N 1 3 239.363 0.748 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884347757 591909119 /nfs/dbraw/zinc/90/91/19/591909119.db2.gz DZKRTTBCTHDQJH-DJLDLDEBSA-N 1 3 245.392 0.309 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884344644 591909187 /nfs/dbraw/zinc/90/91/87/591909187.db2.gz LZZMIVRCWLUKKC-DGCLKSJQSA-N 1 3 237.347 0.468 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(N)CCCC1 ZINC000884348234 591909816 /nfs/dbraw/zinc/90/98/16/591909816.db2.gz RLSVFWRHQWYXEF-IUCAKERBSA-N 1 3 225.336 0.500 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884357771 591911086 /nfs/dbraw/zinc/91/10/86/591911086.db2.gz FCKCSHFOVVJQLH-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358763 591912387 /nfs/dbraw/zinc/91/23/87/591912387.db2.gz XOLXHRSONUOCBH-ZJUUUORDSA-N 1 3 227.352 0.569 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357610 591913117 /nfs/dbraw/zinc/91/31/17/591913117.db2.gz BCGVJELAMFPLLY-JXUBOQSCSA-N 1 3 227.352 0.602 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884360311 591913790 /nfs/dbraw/zinc/91/37/90/591913790.db2.gz YFAZLZIPFJOPCK-IWSPIJDZSA-N 1 3 213.325 0.212 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363804 591916342 /nfs/dbraw/zinc/91/63/42/591916342.db2.gz JAPUJWFNDNPXNT-DCAQKATOSA-N 1 3 241.379 0.992 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000884390462 591923041 /nfs/dbraw/zinc/92/30/41/591923041.db2.gz WWSUAPTWZILRRN-GRYCIOLGSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884434409 591933157 /nfs/dbraw/zinc/93/31/57/591933157.db2.gz LEODFVVACWSVML-GARJFASQSA-N 1 3 225.336 0.371 20 0 BCADHO COCC[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449606 591937258 /nfs/dbraw/zinc/93/72/58/591937258.db2.gz JLTPPUSNBBFNAK-GHMZBOCLSA-N 1 3 243.351 0.080 20 0 BCADHO COCC[C@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449607 591937843 /nfs/dbraw/zinc/93/78/43/591937843.db2.gz JLTPPUSNBBFNAK-MNOVXSKESA-N 1 3 243.351 0.080 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000884451350 591938949 /nfs/dbraw/zinc/93/89/49/591938949.db2.gz MWDGQWDPIFHLLH-TUAOUCFPSA-N 1 3 249.314 0.413 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)CC1CC1 ZINC000884458300 591940520 /nfs/dbraw/zinc/94/05/20/591940520.db2.gz BBRHNFVHKJDSKF-JEZHCXPESA-N 1 3 211.309 0.062 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884459680 591941301 /nfs/dbraw/zinc/94/13/01/591941301.db2.gz IUOBIXYHZUXUBQ-IJLUTSLNSA-N 1 3 239.363 0.748 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](C[C@](C)(O)C(F)F)C1 ZINC000886010838 592130119 /nfs/dbraw/zinc/13/01/19/592130119.db2.gz QMQZENVUQJBGQF-KOLCDFICSA-N 1 3 236.306 0.886 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886010838 592130120 /nfs/dbraw/zinc/13/01/20/592130120.db2.gz QMQZENVUQJBGQF-KOLCDFICSA-N 1 3 236.306 0.886 20 0 BCADHO [NH3+][C@@H](CC(=O)N[C@H]1CCN(C2CC2)C1)C1CC1 ZINC000137383860 592175609 /nfs/dbraw/zinc/17/56/09/592175609.db2.gz SZDVZKMMXRMNKV-JQWIXIFHSA-N 1 3 237.347 0.467 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000137385292 592175948 /nfs/dbraw/zinc/17/59/48/592175948.db2.gz QLSRZWBUZIGDPX-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO C[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886249041 592185746 /nfs/dbraw/zinc/18/57/46/592185746.db2.gz BKHXVXANWCMNKY-FIQHERPVSA-N 1 3 242.363 0.333 20 0 BCADHO C[N@H+]1CC[C@H](N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886249041 592185748 /nfs/dbraw/zinc/18/57/48/592185748.db2.gz BKHXVXANWCMNKY-FIQHERPVSA-N 1 3 242.363 0.333 20 0 BCADHO [NH3+]C1CCN(C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886827254 592350473 /nfs/dbraw/zinc/35/04/73/592350473.db2.gz HVBQGOMQELWKBU-JQWIXIFHSA-N 1 3 210.321 0.836 20 0 BCADHO [NH3+]C1CCN(C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886827253 592351315 /nfs/dbraw/zinc/35/13/15/592351315.db2.gz HVBQGOMQELWKBU-CMPLNLGQSA-N 1 3 210.321 0.836 20 0 BCADHO CN(C[C@H]1C[C@@]12CCOC2)C1CC([NH3+])C1 ZINC000886838320 592358758 /nfs/dbraw/zinc/35/87/58/592358758.db2.gz VJEKRDUEJNWNLJ-HBIQZDMRSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+]CC12CC(C1)CN2C[C@@H]1C[C@]12CCOC2 ZINC000886841539 592363874 /nfs/dbraw/zinc/36/38/74/592363874.db2.gz OBWFBKCDSINXHG-ZFQMDJOTSA-N 1 3 222.332 0.836 20 0 BCADHO C[C@H](CNC(=[NH2+])NCC(F)F)CN(C)C ZINC000887360715 592490667 /nfs/dbraw/zinc/49/06/67/592490667.db2.gz SWBTYSFOSKOEQW-SSDOTTSWSA-N 1 3 222.283 0.563 20 0 BCADHO CN1CCC[C@H]1CN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925716576 634448730 /nfs/dbraw/zinc/44/87/30/634448730.db2.gz AJUJMBSUYJVSBI-SRVKXCTJSA-N 1 3 223.364 0.940 20 0 BCADHO CN1CCC[C@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925719418 634455857 /nfs/dbraw/zinc/45/58/57/634455857.db2.gz ROQLVSUIIVTNCU-VZKILSJISA-N 1 3 235.375 0.667 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CCNC1=O ZINC000925777109 635258102 /nfs/dbraw/zinc/25/81/02/635258102.db2.gz LFBKPVOCLJQMRP-QWRGUYRKSA-N 1 3 240.351 0.119 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000925777109 635258105 /nfs/dbraw/zinc/25/81/05/635258105.db2.gz LFBKPVOCLJQMRP-QWRGUYRKSA-N 1 3 240.351 0.119 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCn1cncn1 ZINC000925835379 635489738 /nfs/dbraw/zinc/48/97/38/635489738.db2.gz OLEXGGHFILNAQB-FUNVUKJBSA-N 1 3 249.362 0.598 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925840773 635503865 /nfs/dbraw/zinc/50/38/65/635503865.db2.gz WWTSYYAZTHOBMA-WOPDTQHZSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@H]1CNC(=O)C1 ZINC000925841228 635506990 /nfs/dbraw/zinc/50/69/90/635506990.db2.gz ZQFKKKJSTQAAJO-AXFHLTTASA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(C)C(C)(C)C1 ZINC000082560945 631408218 /nfs/dbraw/zinc/40/82/18/631408218.db2.gz MZJATYTWPPRUOV-NEPJUHHUSA-N 1 3 225.380 0.868 20 0 BCADHO CC[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790485 631462713 /nfs/dbraw/zinc/46/27/13/631462713.db2.gz LBAWTEISVDKCOE-WOPDTQHZSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000085790485 631462718 /nfs/dbraw/zinc/46/27/18/631462718.db2.gz LBAWTEISVDKCOE-WOPDTQHZSA-N 1 3 228.336 0.210 20 0 BCADHO Cc1cc(CNC(CN)C[NH3+])c(C)s1 ZINC000309087692 631875326 /nfs/dbraw/zinc/87/53/26/631875326.db2.gz ZYKAVMDWIRKFEU-UHFFFAOYSA-N 1 3 213.350 0.741 20 0 BCADHO COC[C@@H](C)NC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004790 631904060 /nfs/dbraw/zinc/90/40/60/631904060.db2.gz ZUGSSHGJPPXZJF-WDEREUQCSA-N 1 3 242.367 0.477 20 0 BCADHO CCOC[C@H](O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250532127 635700208 /nfs/dbraw/zinc/70/02/08/635700208.db2.gz SAEDQINCRXTDAA-QJPTWQEYSA-N 1 3 230.352 0.443 20 0 BCADHO Cc1cccc([C@H](C)NC(CN)C[NH3+])c1 ZINC000309509251 632432296 /nfs/dbraw/zinc/43/22/96/632432296.db2.gz WVYHHTIESPQYDB-JTQLQIEISA-N 1 3 207.321 0.932 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](N)CCOC ZINC000052810344 632497839 /nfs/dbraw/zinc/49/78/39/632497839.db2.gz SPIMLRHMGHQIPD-GHMZBOCLSA-N 1 3 245.367 0.197 20 0 BCADHO CN(C)CC(C)(C)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924526189 632680444 /nfs/dbraw/zinc/68/04/44/632680444.db2.gz IQEGSXVZCUBMNM-SNVBAGLBSA-N 1 3 241.379 0.688 20 0 BCADHO CN(C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCOC1 ZINC000309982519 632689421 /nfs/dbraw/zinc/68/94/21/632689421.db2.gz CHNTTXHAFYOESP-STQMWFEESA-N 1 3 242.363 0.411 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000310135445 632702724 /nfs/dbraw/zinc/70/27/24/632702724.db2.gz BJXDTNWMZGYWDA-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](N)CC2CC2)C1 ZINC000310135445 632702727 /nfs/dbraw/zinc/70/27/27/632702727.db2.gz BJXDTNWMZGYWDA-NWDGAFQWSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000066244978 632859458 /nfs/dbraw/zinc/85/94/58/632859458.db2.gz HZSFGNOHIBUONF-SNVBAGLBSA-N 1 3 228.340 0.021 20 0 BCADHO CCNC(NCCCN(C)CCOC)=[NH+]CC ZINC000066245510 632862033 /nfs/dbraw/zinc/86/20/33/632862033.db2.gz RJTVUXYEUSVOMS-UHFFFAOYSA-N 1 3 244.383 0.530 20 0 BCADHO C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000892549487 632957317 /nfs/dbraw/zinc/95/73/17/632957317.db2.gz UFIQUWKVKVZHSI-XWLWVQCSSA-N 1 3 240.351 0.116 20 0 BCADHO CC[C@@H](N)C(=O)NCCCCCC[NH3+] ZINC000034486491 633097132 /nfs/dbraw/zinc/09/71/32/633097132.db2.gz KKGOXFKFVKGBEM-SECBINFHSA-N 1 3 201.314 0.359 20 0 BCADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310135444 636006047 /nfs/dbraw/zinc/00/60/47/636006047.db2.gz BJXDTNWMZGYWDA-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000310135444 636006051 /nfs/dbraw/zinc/00/60/51/636006051.db2.gz BJXDTNWMZGYWDA-NEPJUHHUSA-N 1 3 239.363 0.572 20 0 BCADHO CN1CCC[C@@H]1CN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328570405 633779472 /nfs/dbraw/zinc/77/94/72/633779472.db2.gz ROQLVSUIIVTNCU-VPCRRHSYSA-N 1 3 235.375 0.667 20 0 BCADHO CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019776047 633789949 /nfs/dbraw/zinc/78/99/49/633789949.db2.gz TXJRJOSTCVRSGU-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CN(C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000309982517 634026610 /nfs/dbraw/zinc/02/66/10/634026610.db2.gz CHNTTXHAFYOESP-OLZOCXBDSA-N 1 3 242.363 0.411 20 0 BCADHO C(C1CC1)N1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925557686 634033500 /nfs/dbraw/zinc/03/35/00/634033500.db2.gz PXVRLAMLUDVDEG-STQMWFEESA-N 1 3 239.363 0.049 20 0 BCADHO CN(C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCOC1 ZINC000309982516 634057961 /nfs/dbraw/zinc/05/79/61/634057961.db2.gz CHNTTXHAFYOESP-CHWSQXEVSA-N 1 3 242.363 0.411 20 0 BCADHO O[C@@H](CNC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000310552628 634161365 /nfs/dbraw/zinc/16/13/65/634161365.db2.gz VANFEJNNSSRBGM-STQMWFEESA-N 1 3 242.363 0.194 20 0 BCADHO Cc1nccn1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931278186 634304166 /nfs/dbraw/zinc/30/41/66/634304166.db2.gz ZIXHCLBBTBXYBB-ITGUQSILSA-N 1 3 234.347 0.683 20 0 BCADHO Cc1nccn1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931278186 634304168 /nfs/dbraw/zinc/30/41/68/634304168.db2.gz ZIXHCLBBTBXYBB-ITGUQSILSA-N 1 3 234.347 0.683 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424030641 635153521 /nfs/dbraw/zinc/15/35/21/635153521.db2.gz RGYCXUQRRDVROR-NTZNESFSSA-N 1 3 239.363 0.714 20 0 BCADHO CO[C@H](C)[C@@H](C)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000925792932 635323274 /nfs/dbraw/zinc/32/32/74/635323274.db2.gz XCKISMFDRQGOOS-DBIOUOCHSA-N 1 3 200.326 0.855 20 0 BCADHO CC[C@H](CO)NCCC[NH2+][C@@H](CC)CO ZINC000006411932 635376060 /nfs/dbraw/zinc/37/60/60/635376060.db2.gz XYVQJSNDVKVJBX-PHIMTYICSA-N 1 3 218.341 0.098 20 0 BCADHO CC[C@H](CO)[NH2+]CCCN[C@@H](CC)CO ZINC000006411932 635376066 /nfs/dbraw/zinc/37/60/66/635376066.db2.gz XYVQJSNDVKVJBX-PHIMTYICSA-N 1 3 218.341 0.098 20 0 BCADHO CC[C@H](CO)NCCC[NH2+][C@H](CC)CO ZINC000006412483 635376409 /nfs/dbraw/zinc/37/64/09/635376409.db2.gz XYVQJSNDVKVJBX-GHMZBOCLSA-N 1 3 218.341 0.098 20 0 BCADHO C[C@H](NCCO[C@H]1CCOC1)[C@@H]1CCC[NH2+]C1 ZINC000925874407 635595379 /nfs/dbraw/zinc/59/53/79/635595379.db2.gz JIZFZAQIGIYQPT-XQQFMLRXSA-N 1 3 242.363 0.770 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987529991 636652909 /nfs/dbraw/zinc/65/29/09/636652909.db2.gz FRGVHNIWJRCWDF-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089140043 636904620 /nfs/dbraw/zinc/90/46/20/636904620.db2.gz CGYHBPLYAIUEQA-NEPJUHHUSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)C(=O)NCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000089140043 636904623 /nfs/dbraw/zinc/90/46/23/636904623.db2.gz CGYHBPLYAIUEQA-NEPJUHHUSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)C(=O)NCCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089140044 636904781 /nfs/dbraw/zinc/90/47/81/636904781.db2.gz CGYHBPLYAIUEQA-NWDGAFQWSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000089140044 636904784 /nfs/dbraw/zinc/90/47/84/636904784.db2.gz CGYHBPLYAIUEQA-NWDGAFQWSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H](O)CN(C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 ZINC000903463858 637364335 /nfs/dbraw/zinc/36/43/35/637364335.db2.gz PTGVPHYNCMVDCW-MXWKQRLJSA-N 1 3 212.337 0.687 20 0 BCADHO COC(=O)C(C)(C)CCNCC1([NH3+])CC1 ZINC000904443562 637410544 /nfs/dbraw/zinc/41/05/44/637410544.db2.gz LSMGOZZNMUQKRV-UHFFFAOYSA-N 1 3 214.309 0.657 20 0 BCADHO [NH3+]C1(CNCc2nc3c(s2)CNCC3)CC1 ZINC000904444270 637415196 /nfs/dbraw/zinc/41/51/96/637415196.db2.gz PJAJXEQLWINACT-UHFFFAOYSA-N 1 3 238.360 0.370 20 0 BCADHO CC[N@H+](CCC(=O)NC)C[C@H](N)CC(C)C ZINC000904468419 637423956 /nfs/dbraw/zinc/42/39/56/637423956.db2.gz CFCRHHLCPIMAPW-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC[N@@H+](CCC(=O)NC)C[C@H](N)CC(C)C ZINC000904468419 637423959 /nfs/dbraw/zinc/42/39/59/637423959.db2.gz CFCRHHLCPIMAPW-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CCNCC1(C)C ZINC000904921330 637523869 /nfs/dbraw/zinc/52/38/69/637523869.db2.gz ZBRHKEXXOBRTKX-LBPRGKRZSA-N 1 3 227.352 0.714 20 0 BCADHO CCO[C@H](CNC[C@@H](O)C1CC1)C[NH+](C)C ZINC000905580750 637854061 /nfs/dbraw/zinc/85/40/61/637854061.db2.gz PHNIBFMCJFRGEI-VXGBXAGGSA-N 1 3 230.352 0.314 20 0 BCADHO CCC[C@@H](O)CCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000905585711 637855067 /nfs/dbraw/zinc/85/50/67/637855067.db2.gz AITSJCNQWVXHOD-OLZOCXBDSA-N 1 3 244.379 0.582 20 0 BCADHO CCC[C@@H](O)CCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000905585711 637855070 /nfs/dbraw/zinc/85/50/70/637855070.db2.gz AITSJCNQWVXHOD-OLZOCXBDSA-N 1 3 244.379 0.582 20 0 BCADHO C[N@H+](C[C@@H](O)CNCC[C@@H](O)C1CC1)C1CC1 ZINC000905689490 637882976 /nfs/dbraw/zinc/88/29/76/637882976.db2.gz ARWXIABBWKRXAE-QWHCGFSZSA-N 1 3 242.363 0.192 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCC[C@@H](O)C1CC1)C1CC1 ZINC000905689490 637882982 /nfs/dbraw/zinc/88/29/82/637882982.db2.gz ARWXIABBWKRXAE-QWHCGFSZSA-N 1 3 242.363 0.192 20 0 BCADHO CC(C)[NH+](CCCNC(=O)CN)C(C)C ZINC000906086695 638046870 /nfs/dbraw/zinc/04/68/70/638046870.db2.gz PVAUCHZXIYTLLP-UHFFFAOYSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000906092205 638048439 /nfs/dbraw/zinc/04/84/39/638048439.db2.gz UYIOECQVOJPVTM-IJLUTSLNSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000906092067 638049364 /nfs/dbraw/zinc/04/93/64/638049364.db2.gz HBHGNFNBJYGIBF-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000906092067 638049370 /nfs/dbraw/zinc/04/93/70/638049370.db2.gz HBHGNFNBJYGIBF-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000906640877 638225762 /nfs/dbraw/zinc/22/57/62/638225762.db2.gz UBOUBFJEWQGQPD-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000906640877 638225766 /nfs/dbraw/zinc/22/57/66/638225766.db2.gz UBOUBFJEWQGQPD-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)NCCN1CCC(C)(C)C1 ZINC000906640877 638225768 /nfs/dbraw/zinc/22/57/68/638225768.db2.gz UBOUBFJEWQGQPD-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)N(C)C ZINC000908414516 638699777 /nfs/dbraw/zinc/69/97/77/638699777.db2.gz QARFTAWPPWQJPS-SRVKXCTJSA-N 1 3 241.379 0.878 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911671719 639697187 /nfs/dbraw/zinc/69/71/87/639697187.db2.gz AOCFJYVYLVUOSC-CMPLNLGQSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737046 639762127 /nfs/dbraw/zinc/76/21/27/639762127.db2.gz QWPDOHIZEWFPTG-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](O)[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461391 639762934 /nfs/dbraw/zinc/76/29/34/639762934.db2.gz VXCOWRSEHALIJF-UVYIHGJDSA-N 1 3 242.363 0.285 20 0 BCADHO C[C@H](O)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461391 639762939 /nfs/dbraw/zinc/76/29/39/639762939.db2.gz VXCOWRSEHALIJF-UVYIHGJDSA-N 1 3 242.363 0.285 20 0 BCADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750982 639776667 /nfs/dbraw/zinc/77/66/67/639776667.db2.gz HJUDXEBLCVRYIG-RYUDHWBXSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)C[C@@H](C)CC ZINC000911751032 639777740 /nfs/dbraw/zinc/77/77/40/639777740.db2.gz TUGUJXQOLIUCHR-UWVGGRQHSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751562 639778764 /nfs/dbraw/zinc/77/87/64/639778764.db2.gz MDZLPPVWHWGADO-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911768000 639794151 /nfs/dbraw/zinc/79/41/51/639794151.db2.gz NXIKFVIGBWYXHZ-SDDRHHMPSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911773088 639796144 /nfs/dbraw/zinc/79/61/44/639796144.db2.gz AKIGAAKHYAYZSL-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787818 639805978 /nfs/dbraw/zinc/80/59/78/639805978.db2.gz VULOJFOBHBKZAL-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO CN1C[C@H]2CC[N@H+](C[C@H]3CCCN3C)[C@@H]2C1 ZINC000930543812 639808046 /nfs/dbraw/zinc/80/80/46/639808046.db2.gz GUJARTOPKBMCGI-JHJVBQTASA-N 1 3 223.364 0.717 20 0 BCADHO CN1C[C@H]2CC[N@@H+](C[C@H]3CCCN3C)[C@@H]2C1 ZINC000930543812 639808051 /nfs/dbraw/zinc/80/80/51/639808051.db2.gz GUJARTOPKBMCGI-JHJVBQTASA-N 1 3 223.364 0.717 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000911824974 639837617 /nfs/dbraw/zinc/83/76/17/639837617.db2.gz FIWOIUBCPCVFQD-AXFHLTTASA-N 1 3 229.368 0.849 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(C)C ZINC000911828091 639838828 /nfs/dbraw/zinc/83/88/28/639838828.db2.gz YYCAJMKIUZZTMG-NEPJUHHUSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCCN1C(C)C ZINC000911828094 639839861 /nfs/dbraw/zinc/83/98/61/639839861.db2.gz YYCAJMKIUZZTMG-VXGBXAGGSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911832226 639843454 /nfs/dbraw/zinc/84/34/54/639843454.db2.gz GXLLIMWDFRRMFJ-INTQDDNPSA-N 1 3 227.352 0.603 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911832225 639843706 /nfs/dbraw/zinc/84/37/06/639843706.db2.gz GXLLIMWDFRRMFJ-GDPRMGEGSA-N 1 3 227.352 0.603 20 0 BCADHO CC[C@@H](C)C[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911845806 639855092 /nfs/dbraw/zinc/85/50/92/639855092.db2.gz DJUJQZJZIMJDKD-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCF ZINC000912303572 640022571 /nfs/dbraw/zinc/02/25/71/640022571.db2.gz LEMGPEKGNGJBCU-NSHDSACASA-N 1 3 247.358 0.734 20 0 BCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCF ZINC000912303572 640022576 /nfs/dbraw/zinc/02/25/76/640022576.db2.gz LEMGPEKGNGJBCU-NSHDSACASA-N 1 3 247.358 0.734 20 0 BCADHO CNC(=O)CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931307869 640143051 /nfs/dbraw/zinc/14/30/51/640143051.db2.gz MNZJTGKDRSVZKO-CHWSQXEVSA-N 1 3 239.363 0.396 20 0 BCADHO COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435176 640204117 /nfs/dbraw/zinc/20/41/17/640204117.db2.gz HYFFNHSSXXQHNW-GRYCIOLGSA-N 1 3 212.337 0.905 20 0 BCADHO COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000931435176 640204120 /nfs/dbraw/zinc/20/41/20/640204120.db2.gz HYFFNHSSXXQHNW-GRYCIOLGSA-N 1 3 212.337 0.905 20 0 BCADHO CC[C@H](CO)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000931547291 640267742 /nfs/dbraw/zinc/26/77/42/640267742.db2.gz QDFPZAGINTZPPP-UTUOFQBUSA-N 1 3 212.337 0.783 20 0 BCADHO CC[C@H](CO)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000931547291 640267748 /nfs/dbraw/zinc/26/77/48/640267748.db2.gz QDFPZAGINTZPPP-UTUOFQBUSA-N 1 3 212.337 0.783 20 0 BCADHO C[NH+]1CCC(CNCc2cc[nH]n2)CC1 ZINC000044516402 640399673 /nfs/dbraw/zinc/39/96/73/640399673.db2.gz QTERWOMSFIWBGJ-UHFFFAOYSA-N 1 3 208.309 0.841 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCN2CCCC2)C1 ZINC000055088158 640430781 /nfs/dbraw/zinc/43/07/81/640430781.db2.gz YFIMFRPNZOIRBN-VXGBXAGGSA-N 1 3 239.363 0.716 20 0 BCADHO CC[NH2+]CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000044647540 640446421 /nfs/dbraw/zinc/44/64/21/640446421.db2.gz DRIUZTGAZSWRHR-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO COC[C@@H](C)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733620 640760091 /nfs/dbraw/zinc/76/00/91/640760091.db2.gz GFUPGXHVCITXHF-GRYCIOLGSA-N 1 3 212.337 0.905 20 0 BCADHO COC[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733620 640760093 /nfs/dbraw/zinc/76/00/93/640760093.db2.gz GFUPGXHVCITXHF-GRYCIOLGSA-N 1 3 212.337 0.905 20 0 BCADHO [NH3+]C[C@H]1CCCN1CCCCCCO ZINC000226426204 640764274 /nfs/dbraw/zinc/76/42/74/640764274.db2.gz DRADVRPGYITMSL-LLVKDONJSA-N 1 3 200.326 0.962 20 0 BCADHO CCOCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228987838 640909969 /nfs/dbraw/zinc/90/99/69/640909969.db2.gz FTNAENCCEWSWIA-MNOVXSKESA-N 1 3 200.326 0.940 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@H](N)CCOC ZINC000230711662 641086715 /nfs/dbraw/zinc/08/67/15/641086715.db2.gz SMHHHCZMISJHNY-LLVKDONJSA-N 1 3 245.367 0.150 20 0 BCADHO CC(C)([NH3+])C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973317 641114089 /nfs/dbraw/zinc/11/40/89/641114089.db2.gz TYXJYVLSSLZBKB-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200505 641144896 /nfs/dbraw/zinc/14/48/96/641144896.db2.gz OEVHKTMRYSQRHS-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CN(Cc1cnc(N)cn1)CC1CC[NH+](C)CC1 ZINC000231299735 641158289 /nfs/dbraw/zinc/15/82/89/641158289.db2.gz KXXJERUXSWEKHM-UHFFFAOYSA-N 1 3 249.362 0.832 20 0 BCADHO CCN(CC)C(=O)CN(C)CC1CC[NH2+]CC1 ZINC000043497653 641565234 /nfs/dbraw/zinc/56/52/34/641565234.db2.gz GRMNZTUWHZBWDI-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200249 642323689 /nfs/dbraw/zinc/32/36/89/642323689.db2.gz FWUGUXJYAGRZIO-VXGBXAGGSA-N 1 3 239.363 0.633 20 0 BCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200249 642323696 /nfs/dbraw/zinc/32/36/96/642323696.db2.gz FWUGUXJYAGRZIO-VXGBXAGGSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H](C)N1CCCCCC1 ZINC000237550051 642715809 /nfs/dbraw/zinc/71/58/09/642715809.db2.gz NYJPONZHXAHPBW-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000969077558 642823626 /nfs/dbraw/zinc/82/36/26/642823626.db2.gz WMIFZBDTPUGBKU-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001019396341 643031752 /nfs/dbraw/zinc/03/17/52/643031752.db2.gz WMIFZBDTPUGBKU-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976971 643147148 /nfs/dbraw/zinc/14/71/48/643147148.db2.gz UQGNMWQSFJVUDE-ZYHUDNBSSA-N 1 3 239.363 0.252 20 0 BCADHO CCN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976971 643147150 /nfs/dbraw/zinc/14/71/50/643147150.db2.gz UQGNMWQSFJVUDE-ZYHUDNBSSA-N 1 3 239.363 0.252 20 0 BCADHO CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020589953 643222160 /nfs/dbraw/zinc/22/21/60/643222160.db2.gz IMWYFKIDEAGHCO-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C(C)C)C1)N(C)C ZINC000969986054 643262319 /nfs/dbraw/zinc/26/23/19/643262319.db2.gz QHENUCFPZYDOFO-NEPJUHHUSA-N 1 3 241.379 0.926 20 0 BCADHO CCN1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000082560325 643343755 /nfs/dbraw/zinc/34/37/55/643343755.db2.gz HOQANBGQAVXKDF-NEPJUHHUSA-N 1 3 211.353 0.479 20 0 BCADHO [NH3+]CC1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000082681374 643367423 /nfs/dbraw/zinc/36/74/23/643367423.db2.gz GKXNLDMGYJVVRS-MRVPVSSYSA-N 1 3 226.242 0.580 20 0 BCADHO CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997040631 643575217 /nfs/dbraw/zinc/57/52/17/643575217.db2.gz HUGZUPSXTMAEOK-UHFFFAOYSA-N 1 3 236.319 0.553 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000084216445 643650309 /nfs/dbraw/zinc/65/03/09/643650309.db2.gz ZIPRWWDQCIMXOS-NWDGAFQWSA-N 1 3 222.336 0.990 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCn1cccn1 ZINC000084216442 643650638 /nfs/dbraw/zinc/65/06/38/643650638.db2.gz ZIPRWWDQCIMXOS-VXGBXAGGSA-N 1 3 222.336 0.990 20 0 BCADHO CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999490732 643736734 /nfs/dbraw/zinc/73/67/34/643736734.db2.gz SJGZFNNJDABBBA-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)OCC[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923279384 644311197 /nfs/dbraw/zinc/31/11/97/644311197.db2.gz NDBAFFPQVXRXIJ-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)OCC[C@@H](O)C[N@H+](C)C1CCNCC1 ZINC000923279384 644311202 /nfs/dbraw/zinc/31/12/02/644311202.db2.gz NDBAFFPQVXRXIJ-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)OCC[C@@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923279384 644311206 /nfs/dbraw/zinc/31/12/06/644311206.db2.gz NDBAFFPQVXRXIJ-CYBMUJFWSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC000923282578 644318831 /nfs/dbraw/zinc/31/88/31/644318831.db2.gz VWEIZYOGXMNXIE-VXGBXAGGSA-N 1 3 230.352 0.301 20 0 BCADHO CSC[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923287806 644320727 /nfs/dbraw/zinc/32/07/27/644320727.db2.gz GOSPJJPKHKBUIV-GMTAPVOTSA-N 1 3 232.393 0.770 20 0 BCADHO CSC[C@H](O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000923287805 644321490 /nfs/dbraw/zinc/32/14/90/644321490.db2.gz GOSPJJPKHKBUIV-GARJFASQSA-N 1 3 232.393 0.770 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923290206 644322844 /nfs/dbraw/zinc/32/28/44/644322844.db2.gz VVUZPEXRICCANU-AGIUHOORSA-N 1 3 244.379 0.832 20 0 BCADHO CCOCC[C@@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923294033 644329525 /nfs/dbraw/zinc/32/95/25/644329525.db2.gz DJUDPNMMFZHZHB-LLVKDONJSA-N 1 3 232.368 0.691 20 0 BCADHO CN(C[C@@H](O)Cn1cccn1)CC(C)(C)C[NH3+] ZINC000923294425 644332404 /nfs/dbraw/zinc/33/24/04/644332404.db2.gz LNSGXMUBWAWJGS-LLVKDONJSA-N 1 3 240.351 0.161 20 0 BCADHO CC(C)COC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923295363 644332661 /nfs/dbraw/zinc/33/26/61/644332661.db2.gz YWWBMPALEMOPCD-GFCCVEGCSA-N 1 3 246.395 0.937 20 0 BCADHO CCOC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923295727 644333233 /nfs/dbraw/zinc/33/32/33/644333233.db2.gz FSZJIUBEKFTBFZ-QWRGUYRKSA-N 1 3 218.341 0.347 20 0 BCADHO CCOC[C@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296669 644334291 /nfs/dbraw/zinc/33/42/91/644334291.db2.gz VOYBAHNSMPMNGA-GHMZBOCLSA-N 1 3 216.325 0.101 20 0 BCADHO CCOC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923296672 644336204 /nfs/dbraw/zinc/33/62/04/644336204.db2.gz VOYBAHNSMPMNGA-WDEREUQCSA-N 1 3 216.325 0.101 20 0 BCADHO CSC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923298398 644337225 /nfs/dbraw/zinc/33/72/25/644337225.db2.gz BLZMNVNEQKRSTC-NXEZZACHSA-N 1 3 220.382 0.673 20 0 BCADHO CSC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923298401 644338079 /nfs/dbraw/zinc/33/80/79/644338079.db2.gz BLZMNVNEQKRSTC-ZJUUUORDSA-N 1 3 220.382 0.673 20 0 BCADHO CC(C)CN1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923320445 644348964 /nfs/dbraw/zinc/34/89/64/644348964.db2.gz YQBFVFCHMSZFCN-AVGNSLFASA-N 1 3 241.379 0.111 20 0 BCADHO CCOCCOCCN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923330424 644350191 /nfs/dbraw/zinc/35/01/91/644350191.db2.gz FDGUIVMZLUIRRA-RYUDHWBXSA-N 1 3 230.352 0.709 20 0 BCADHO CSC[C@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000923333998 644353745 /nfs/dbraw/zinc/35/37/45/644353745.db2.gz FBOYKKGLOSSLFQ-WDEREUQCSA-N 1 3 232.393 0.784 20 0 BCADHO CCN(C[C@@H](O)COC)[C@@H]1CCC[NH2+]CC1 ZINC000923336550 644357102 /nfs/dbraw/zinc/35/71/02/644357102.db2.gz UPAGZVHYKBUJSU-VXGBXAGGSA-N 1 3 230.352 0.458 20 0 BCADHO NCC(CN)[NH2+]CCCc1c(F)cccc1F ZINC000923358402 644367008 /nfs/dbraw/zinc/36/70/08/644367008.db2.gz ANUWKNBDBIMKHI-UHFFFAOYSA-N 1 3 243.301 0.773 20 0 BCADHO CC(C)Oc1ccc(CNC(CN)C[NH3+])cc1 ZINC000923351318 644367213 /nfs/dbraw/zinc/36/72/13/644367213.db2.gz HWEGUYZRXCVPGS-UHFFFAOYSA-N 1 3 237.347 0.849 20 0 BCADHO NCC(C[NH3+])NCc1ccsc1Cl ZINC000923358789 644367775 /nfs/dbraw/zinc/36/77/75/644367775.db2.gz ILHVEKAFMWJVFI-UHFFFAOYSA-N 1 3 219.741 0.777 20 0 BCADHO NCC(C[NH3+])N[C@@H]1CCc2ccc(F)cc21 ZINC000923351348 644368116 /nfs/dbraw/zinc/36/81/16/644368116.db2.gz JHBYIBZWHXBGFI-GFCCVEGCSA-N 1 3 223.295 0.689 20 0 BCADHO CC1(C)CC[C@@H](C[NH2+]C(CN)CN)OC1 ZINC000923359063 644369060 /nfs/dbraw/zinc/36/90/60/644369060.db2.gz KSNZLDHESSZTIH-JTQLQIEISA-N 1 3 215.341 0.067 20 0 BCADHO CCCCc1nc(CNC(CN)C[NH3+])cs1 ZINC000923353845 644370195 /nfs/dbraw/zinc/37/01/95/644370195.db2.gz CJEFQJIRVDWFAK-UHFFFAOYSA-N 1 3 242.392 0.861 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1cc(F)ccc1F ZINC000923352303 644370302 /nfs/dbraw/zinc/37/03/02/644370302.db2.gz UGLQWUSZLZOGHX-SSDOTTSWSA-N 1 3 229.274 0.901 20 0 BCADHO NCC(CN)[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000923356335 644372896 /nfs/dbraw/zinc/37/28/96/644372896.db2.gz KZDCTFKQOVLTSL-NSHDSACASA-N 1 3 227.352 0.211 20 0 BCADHO CSC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923368982 644380746 /nfs/dbraw/zinc/38/07/46/644380746.db2.gz IHCMBTPMADSJIH-VHSXEESVSA-N 1 3 232.393 0.688 20 0 BCADHO CSC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923368982 644380749 /nfs/dbraw/zinc/38/07/49/644380749.db2.gz IHCMBTPMADSJIH-VHSXEESVSA-N 1 3 232.393 0.688 20 0 BCADHO COC[C@H](O)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923364222 644375541 /nfs/dbraw/zinc/37/55/41/644375541.db2.gz JXKLQNKVLCLTFP-JHJVBQTASA-N 1 3 242.363 0.458 20 0 BCADHO NCC(C[NH3+])NCc1nsc2ccccc12 ZINC000923356845 644376698 /nfs/dbraw/zinc/37/66/98/644376698.db2.gz PUDUGLIZPDODID-UHFFFAOYSA-N 1 3 236.344 0.672 20 0 BCADHO CC[C@H](O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366746 644377699 /nfs/dbraw/zinc/37/76/99/644377699.db2.gz QBWQIZHWVTZSMV-NWDGAFQWSA-N 1 3 212.337 0.833 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@H](O)Cn1cccn1 ZINC000923366870 644378544 /nfs/dbraw/zinc/37/85/44/644378544.db2.gz ABYJWQWQIIFKEY-QWRGUYRKSA-N 1 3 240.351 0.207 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923368752 644380133 /nfs/dbraw/zinc/38/01/33/644380133.db2.gz SLZCTBIPPNPPSF-NEPJUHHUSA-N 1 3 246.395 0.983 20 0 BCADHO COc1cccc(CNC(CN)C[NH3+])c1Cl ZINC000923359925 644384995 /nfs/dbraw/zinc/38/49/95/644384995.db2.gz XTHNNXIXDYLNCB-UHFFFAOYSA-N 1 3 243.738 0.724 20 0 BCADHO CSC[C@H](O)C[N@H+](C)C1(CN)CCC1 ZINC000923362945 644390163 /nfs/dbraw/zinc/39/01/63/644390163.db2.gz RCFKGUKPEDJKTN-SECBINFHSA-N 1 3 218.366 0.524 20 0 BCADHO CSC[C@H](O)C[N@@H+](C)C1(CN)CCC1 ZINC000923362945 644390165 /nfs/dbraw/zinc/39/01/65/644390165.db2.gz RCFKGUKPEDJKTN-SECBINFHSA-N 1 3 218.366 0.524 20 0 BCADHO C(C[NH2+]C1CC1)CN1CC[C@H]2OCCN[C@H]2C1 ZINC000923384784 644397106 /nfs/dbraw/zinc/39/71/06/644397106.db2.gz NBAGBPZDBAYFTA-QWHCGFSZSA-N 1 3 239.363 0.191 20 0 BCADHO N[C@@H]1CN(CCC[NH2+]C2CC2)CC[C@H]1F ZINC000923396296 644403060 /nfs/dbraw/zinc/40/30/60/644403060.db2.gz XPKVMYZLSHTKLK-GHMZBOCLSA-N 1 3 215.316 0.500 20 0 BCADHO CN(CCC[NH2+]C1CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000923401273 644406537 /nfs/dbraw/zinc/40/65/37/644406537.db2.gz TZLNLFWFZDYTAS-JGZJWPJOSA-N 1 3 225.336 0.324 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000923392658 644409293 /nfs/dbraw/zinc/40/92/93/644409293.db2.gz KQEJUPRYHFFPDT-SRVKXCTJSA-N 1 3 230.352 0.586 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000923410403 644412764 /nfs/dbraw/zinc/41/27/64/644412764.db2.gz GTWPJBFWAHDXBD-MNOVXSKESA-N 1 3 232.393 0.914 20 0 BCADHO CSC[C@@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000923410403 644412766 /nfs/dbraw/zinc/41/27/66/644412766.db2.gz GTWPJBFWAHDXBD-MNOVXSKESA-N 1 3 232.393 0.914 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923412758 644414820 /nfs/dbraw/zinc/41/48/20/644414820.db2.gz ASQXMSGHKKAESW-AAEUAGOBSA-N 1 3 244.379 0.691 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000923412758 644414825 /nfs/dbraw/zinc/41/48/25/644414825.db2.gz ASQXMSGHKKAESW-AAEUAGOBSA-N 1 3 244.379 0.691 20 0 BCADHO CSC[C@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923414221 644415925 /nfs/dbraw/zinc/41/59/25/644415925.db2.gz KKNDQUIPQOCZGS-UTUOFQBUSA-N 1 3 244.404 0.784 20 0 BCADHO CCOCCOCCN1C[C@H](C)[C@H](C[NH3+])C1 ZINC000923414055 644416255 /nfs/dbraw/zinc/41/62/55/644416255.db2.gz ZIMVQCVORQBXIH-NWDGAFQWSA-N 1 3 230.352 0.566 20 0 BCADHO CCOCCOCCN1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000923414056 644416549 /nfs/dbraw/zinc/41/65/49/644416549.db2.gz ZIMVQCVORQBXIH-RYUDHWBXSA-N 1 3 230.352 0.566 20 0 BCADHO COC[C@@H](O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413906 644417715 /nfs/dbraw/zinc/41/77/15/644417715.db2.gz JWJJLOUAQSJYCH-GRYCIOLGSA-N 1 3 228.336 0.068 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCO[C@@H]1CCOC1 ZINC000923422438 644420604 /nfs/dbraw/zinc/42/06/04/644420604.db2.gz RXEGVNAQDJEDOB-GMTAPVOTSA-N 1 3 228.336 0.507 20 0 BCADHO C[C@@H](O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923426887 644421717 /nfs/dbraw/zinc/42/17/17/644421717.db2.gz HRCNTADNTCHGON-VXGBXAGGSA-N 1 3 212.337 0.833 20 0 BCADHO CCN(CCC[NH2+]C1CC1)CCC(N)=O ZINC000923433166 644426322 /nfs/dbraw/zinc/42/63/22/644426322.db2.gz OUABAQSXLFFQTQ-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CON1CC[C@H](N2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923492252 644467914 /nfs/dbraw/zinc/46/79/14/644467914.db2.gz MLLGRVKQUJLQNW-VWYCJHECSA-N 1 3 241.335 0.065 20 0 BCADHO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923499334 644474090 /nfs/dbraw/zinc/47/40/90/644474090.db2.gz JYGKJQUWGDMLPD-IWSPIJDZSA-N 1 3 240.269 0.826 20 0 BCADHO CO[C@@H]1CCC[C@@H]1NC[C@H](O)C[NH+](C)C ZINC000250350963 644755872 /nfs/dbraw/zinc/75/58/72/644755872.db2.gz JMVWTCCPTRLTHU-GARJFASQSA-N 1 3 216.325 0.066 20 0 BCADHO CN1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250560245 644764705 /nfs/dbraw/zinc/76/47/05/644764705.db2.gz CIHCTWFUYOYBGE-AVGNSLFASA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250560245 644764708 /nfs/dbraw/zinc/76/47/08/644764708.db2.gz CIHCTWFUYOYBGE-AVGNSLFASA-N 1 3 223.364 0.907 20 0 BCADHO CON(C)C(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000819106858 645005720 /nfs/dbraw/zinc/00/57/20/645005720.db2.gz ZGIVETWXQIAWME-QWRGUYRKSA-N 1 3 243.351 0.469 20 0 BCADHO CON(C)C(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000819106858 645005723 /nfs/dbraw/zinc/00/57/23/645005723.db2.gz ZGIVETWXQIAWME-QWRGUYRKSA-N 1 3 243.351 0.469 20 0 BCADHO CC[C@@](C)(CC(=O)OC)NC[C@H]1CC[NH2+]C1 ZINC000843390101 645287778 /nfs/dbraw/zinc/28/77/78/645287778.db2.gz KOGBPFMDMVJTDC-JQWIXIFHSA-N 1 3 228.336 0.917 20 0 BCADHO CC[C@](C)(CC(=O)OC)NCCC[NH2+]C ZINC000843389974 645288238 /nfs/dbraw/zinc/28/82/38/645288238.db2.gz FPSCNUQJOBXKAP-LLVKDONJSA-N 1 3 216.325 0.917 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCOC1 ZINC000926619675 645321512 /nfs/dbraw/zinc/32/15/12/645321512.db2.gz KPRQQTOMLGUWLJ-FBTJUVTCSA-N 1 3 210.321 0.705 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C ZINC000928427393 645743891 /nfs/dbraw/zinc/74/38/91/645743891.db2.gz JYPJTXNQMRDZSE-MNOVXSKESA-N 1 3 237.347 0.291 20 0 BCADHO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1C ZINC000928429405 645748684 /nfs/dbraw/zinc/74/86/84/645748684.db2.gz BXSMWUYHUAEVFG-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876796550 645786865 /nfs/dbraw/zinc/78/68/65/645786865.db2.gz GEXRNXRYDWKHHW-KZVJFYERSA-N 1 3 247.289 0.035 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)N(C)C ZINC000877371829 645792957 /nfs/dbraw/zinc/79/29/57/645792957.db2.gz PALLUVYRYOIXEN-DMDPSCGWSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H](N)CC(F)F)C2 ZINC000877374633 645793872 /nfs/dbraw/zinc/79/38/72/645793872.db2.gz MDLNKPZWIPPQTG-DKCNOQQISA-N 1 3 247.289 0.037 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CC[C@@H]1[NH3+] ZINC000884270016 645872260 /nfs/dbraw/zinc/87/22/60/645872260.db2.gz DVSBOQARJZHLES-GRYCIOLGSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C(C)(C)CO ZINC000924758013 646103029 /nfs/dbraw/zinc/10/30/29/646103029.db2.gz RZAPAHMYHQWARJ-VXGBXAGGSA-N 1 3 244.379 0.440 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000929637770 646215078 /nfs/dbraw/zinc/21/50/78/646215078.db2.gz ONLBWFUMYNXMNM-STQMWFEESA-N 1 3 242.363 0.675 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000929637770 646215084 /nfs/dbraw/zinc/21/50/84/646215084.db2.gz ONLBWFUMYNXMNM-STQMWFEESA-N 1 3 242.363 0.675 20 0 BCADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)O)C[C@H]1C ZINC000929779703 646307830 /nfs/dbraw/zinc/30/78/30/646307830.db2.gz HRXHZOXAYYDCMA-NDBYEHHHSA-N 1 3 244.379 0.533 20 0 BCADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)O)C[C@H]1C ZINC000929779703 646307834 /nfs/dbraw/zinc/30/78/34/646307834.db2.gz HRXHZOXAYYDCMA-NDBYEHHHSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H](CN1CCCCC1)N[C@H]1C[NH2+]CCOC1 ZINC000925535985 646321251 /nfs/dbraw/zinc/32/12/51/646321251.db2.gz BGMIHEUUWYRKNM-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCO[C@H]1CCOC1 ZINC000925550556 646329017 /nfs/dbraw/zinc/32/90/17/646329017.db2.gz BNQPHIKWFMCYBY-AVGNSLFASA-N 1 3 242.363 0.912 20 0 BCADHO CN1CCC[C@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925564142 646337752 /nfs/dbraw/zinc/33/77/52/646337752.db2.gz HKCBGDJCVFSZLG-NWDGAFQWSA-N 1 3 223.364 0.955 20 0 BCADHO C1=CC[C@H](CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925618612 646350814 /nfs/dbraw/zinc/35/08/14/646350814.db2.gz XAAMUQIOZJXWJV-RYUDHWBXSA-N 1 3 210.321 0.921 20 0 BCADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621751 646367605 /nfs/dbraw/zinc/36/76/05/646367605.db2.gz NKCDODAAYVBDOQ-HBNTYKKESA-N 1 3 247.346 0.452 20 0 BCADHO N[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621751 646367612 /nfs/dbraw/zinc/36/76/12/646367612.db2.gz NKCDODAAYVBDOQ-HBNTYKKESA-N 1 3 247.346 0.452 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](CO)[C@@H]1CCOC1 ZINC000925656375 646394047 /nfs/dbraw/zinc/39/40/47/646394047.db2.gz NJNARIUYYAQZPA-RNJOBUHISA-N 1 3 242.363 0.362 20 0 BCADHO N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C12CCC2 ZINC000925689892 646417068 /nfs/dbraw/zinc/41/70/68/646417068.db2.gz DBWQEAADGDWGEZ-GWOFURMSSA-N 1 3 210.321 0.759 20 0 BCADHO C[N@H+]1CC=C(CN[C@H]2C(=O)NCC2(C)C)CC1 ZINC000925709121 646432647 /nfs/dbraw/zinc/43/26/47/646432647.db2.gz SKSRKNXPIWEFEM-NSHDSACASA-N 1 3 237.347 0.363 20 0 BCADHO C[N@@H+]1CC=C(CN[C@H]2C(=O)NCC2(C)C)CC1 ZINC000925709121 646432650 /nfs/dbraw/zinc/43/26/50/646432650.db2.gz SKSRKNXPIWEFEM-NSHDSACASA-N 1 3 237.347 0.363 20 0 BCADHO CO[C@@H]1COC[C@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925708185 646432945 /nfs/dbraw/zinc/43/29/45/646432945.db2.gz GMIMUFXLCGRTPU-IRCOFANPSA-N 1 3 242.363 0.896 20 0 BCADHO FC1(F)CCNC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000925713962 646439752 /nfs/dbraw/zinc/43/97/52/646439752.db2.gz ZMDYMNNVBGLJRK-ZJUUUORDSA-N 1 3 245.317 0.858 20 0 BCADHO CC(C)[C@H]1CN([C@@H]2C[NH2+]CCOC2)CCN1C ZINC000925725848 646452348 /nfs/dbraw/zinc/45/23/48/646452348.db2.gz BZAPIYCAZWIZDH-CHWSQXEVSA-N 1 3 241.379 0.247 20 0 BCADHO Nc1ccnc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000925766768 646468255 /nfs/dbraw/zinc/46/82/55/646468255.db2.gz LVWKIQZSUAMQOT-BXKDBHETSA-N 1 3 220.320 0.881 20 0 BCADHO Nc1ccnc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000925766770 646468832 /nfs/dbraw/zinc/46/88/32/646468832.db2.gz LVWKIQZSUAMQOT-CABZTGNLSA-N 1 3 220.320 0.881 20 0 BCADHO OC[C@H](C[C@@H]1CCCO1)N[C@H]1CCC[NH2+]CC1 ZINC000925767161 646469432 /nfs/dbraw/zinc/46/94/32/646469432.db2.gz NOTRDDVPMRGIAF-AVGNSLFASA-N 1 3 242.363 0.648 20 0 BCADHO Cc1cc(CCN[C@@H](C)[C@@H]2CC[NH2+]C2)nn1C ZINC000925834772 646502869 /nfs/dbraw/zinc/50/28/69/646502869.db2.gz OTBAHELJBNIBBS-NWDGAFQWSA-N 1 3 236.363 0.859 20 0 BCADHO [NH3+]CCC[C@@H](N[C@@H]1CNOC1)c1ccccc1 ZINC000925860779 646515169 /nfs/dbraw/zinc/51/51/69/646515169.db2.gz UQSQFCYRDIGAJA-CHWSQXEVSA-N 1 3 235.331 0.960 20 0 BCADHO Cn1cncc1CC[NH2+]C1[C@@H]2CC[C@H]1CN(C)C2 ZINC000926202040 646593822 /nfs/dbraw/zinc/59/38/22/646593822.db2.gz AUMZCHFDVXKNAX-ONXXMXGDSA-N 1 3 248.374 0.892 20 0 BCADHO Cn1nccc1CN1CC[C@@H](CC[NH3+])C1 ZINC000723710427 711535673 /nfs/dbraw/zinc/53/56/73/711535673.db2.gz UPZZPGBRPKKQTG-SNVBAGLBSA-N 1 3 208.309 0.591 20 0 BCADHO C[C@@H]1COCCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000382657880 711546782 /nfs/dbraw/zinc/54/67/82/711546782.db2.gz IAENEJKJQDNXSZ-OLZOCXBDSA-N 1 3 242.363 0.554 20 0 BCADHO C[C@@H]1COCCC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000382657880 711546784 /nfs/dbraw/zinc/54/67/84/711546784.db2.gz IAENEJKJQDNXSZ-OLZOCXBDSA-N 1 3 242.363 0.554 20 0 BCADHO C[C@@H]1C[C@@H](NCCO[C@H]2CCOC2)CC[N@@H+]1C ZINC000724934675 711631336 /nfs/dbraw/zinc/63/13/36/711631336.db2.gz DPFRHHFHQNJYLL-AGIUHOORSA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H]1C[C@@H](NCCO[C@H]2CCOC2)CC[N@H+]1C ZINC000724934675 711631339 /nfs/dbraw/zinc/63/13/39/711631339.db2.gz DPFRHHFHQNJYLL-AGIUHOORSA-N 1 3 242.363 0.864 20 0 BCADHO CC(C)(C)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000160055129 711805421 /nfs/dbraw/zinc/80/54/21/711805421.db2.gz FBWQICRNEQZHRV-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)(C)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000160055296 711805518 /nfs/dbraw/zinc/80/55/18/711805518.db2.gz FBWQICRNEQZHRV-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](N)CCC(C)C ZINC000704463423 712109136 /nfs/dbraw/zinc/10/91/36/712109136.db2.gz XFIPJBSPHSQJKZ-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](CO)[NH2+]CC[C@H]1CCCN1C ZINC000707891348 712172384 /nfs/dbraw/zinc/17/23/84/712172384.db2.gz CUBIMLVGOAXZBL-GHMZBOCLSA-N 1 3 200.326 0.831 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000709038926 712205642 /nfs/dbraw/zinc/20/56/42/712205642.db2.gz MUZRCTRPFXDUDX-WDEREUQCSA-N 1 3 216.325 0.197 20 0 BCADHO COC[C@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000709038926 712205644 /nfs/dbraw/zinc/20/56/44/712205644.db2.gz MUZRCTRPFXDUDX-WDEREUQCSA-N 1 3 216.325 0.197 20 0 BCADHO COC[C@H](C[N@@H+]1CCNCCC12CCC2)OC ZINC000713125516 712453553 /nfs/dbraw/zinc/45/35/53/712453553.db2.gz OKGXAPZTLFJXEP-LBPRGKRZSA-N 1 3 242.363 0.866 20 0 BCADHO COC[C@H](C[N@H+]1CCNCCC12CCC2)OC ZINC000713125516 712453554 /nfs/dbraw/zinc/45/35/54/712453554.db2.gz OKGXAPZTLFJXEP-LBPRGKRZSA-N 1 3 242.363 0.866 20 0 BCADHO CN(CCCOC(F)(F)F)C[C@H](O)C[NH3+] ZINC000713399048 712459040 /nfs/dbraw/zinc/45/90/40/712459040.db2.gz UETSPDSJJNSYNB-SSDOTTSWSA-N 1 3 230.230 0.164 20 0 BCADHO CC(C)(C[NH3+])C1CCN([C@@H]2CCNC2=O)CC1 ZINC000714406395 712485005 /nfs/dbraw/zinc/48/50/05/712485005.db2.gz UTPMHWPRUIHFEK-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO C(C[NH2+]C1CC1)CN1C[C@@H]2COC[C@@H]2C1 ZINC000718211180 712754032 /nfs/dbraw/zinc/75/40/32/712754032.db2.gz SWUICJDSPTZZCM-PHIMTYICSA-N 1 3 210.321 0.707 20 0 BCADHO C(CNC1CC1)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718211180 712754034 /nfs/dbraw/zinc/75/40/34/712754034.db2.gz SWUICJDSPTZZCM-PHIMTYICSA-N 1 3 210.321 0.707 20 0 BCADHO C(CNC1CC1)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718211180 712754036 /nfs/dbraw/zinc/75/40/36/712754036.db2.gz SWUICJDSPTZZCM-PHIMTYICSA-N 1 3 210.321 0.707 20 0 BCADHO C[C@@H](N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826093 712768929 /nfs/dbraw/zinc/76/89/29/712768929.db2.gz RPEBLPHUSGVHQO-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)C[NH3+] ZINC000720890772 712874953 /nfs/dbraw/zinc/87/49/53/712874953.db2.gz UEEVYSPVVMPREQ-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720895495 712876945 /nfs/dbraw/zinc/87/69/45/712876945.db2.gz XWGJZHOOZNRBSB-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720895495 712876946 /nfs/dbraw/zinc/87/69/46/712876946.db2.gz XWGJZHOOZNRBSB-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720895495 712876948 /nfs/dbraw/zinc/87/69/48/712876948.db2.gz XWGJZHOOZNRBSB-BBBLOLIVSA-N 1 3 211.309 0.029 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720904916 712877308 /nfs/dbraw/zinc/87/73/08/712877308.db2.gz XSTFVFIQPBRWPL-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720963273 712883154 /nfs/dbraw/zinc/88/31/54/712883154.db2.gz SRMCYHGQBVNWSW-KKOKHZNYSA-N 1 3 212.337 0.864 20 0 BCADHO CC(C)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039030330 710717066 /nfs/dbraw/zinc/71/70/66/710717066.db2.gz YVUQKLFPAIXYRN-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039030330 710717069 /nfs/dbraw/zinc/71/70/69/710717069.db2.gz YVUQKLFPAIXYRN-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1CCO[C@@H]1CCOC1 ZINC000724921486 710748710 /nfs/dbraw/zinc/74/87/10/710748710.db2.gz LTGPIVLIDNFEOC-CHWSQXEVSA-N 1 3 242.363 0.995 20 0 BCADHO CCCNC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000133077561 710968661 /nfs/dbraw/zinc/96/86/61/710968661.db2.gz JWBGAZUADBZJOM-GHMZBOCLSA-N 1 3 227.352 0.429 20 0 BCADHO CN(CC(=O)N1CCCC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000383594034 710983349 /nfs/dbraw/zinc/98/33/49/710983349.db2.gz ONEXYNQHYFGXIJ-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO CCc1nc(CNC(CN)C[NH3+])cs1 ZINC000390187617 711107098 /nfs/dbraw/zinc/10/70/98/711107098.db2.gz MFWPZRAOQYZPRU-UHFFFAOYSA-N 1 3 214.338 0.081 20 0 BCADHO CCc1ccc(CNC(CN)C[NH3+])cc1 ZINC000390517763 711122982 /nfs/dbraw/zinc/12/29/82/711122982.db2.gz DLPQKHHHTHDVJA-UHFFFAOYSA-N 1 3 207.321 0.625 20 0 BCADHO CC1(O)CC[NH+](C[C@@H](O)CN2CCCC2)CC1 ZINC000393895435 711178176 /nfs/dbraw/zinc/17/81/76/711178176.db2.gz IHDBXFPXRRGABL-LBPRGKRZSA-N 1 3 242.363 0.290 20 0 BCADHO CC(C)(C)[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000393977330 711180433 /nfs/dbraw/zinc/18/04/33/711180433.db2.gz XTNFHIWPDWMYRZ-RYUDHWBXSA-N 1 3 244.379 0.440 20 0 BCADHO CC[C@H]1CN(C(COC)COC)CC[C@@H]1[NH3+] ZINC000395339117 711208399 /nfs/dbraw/zinc/20/83/99/711208399.db2.gz ARNBANXJCXOXEO-JQWIXIFHSA-N 1 3 230.352 0.707 20 0 BCADHO CC[C@@H]1CN(C(COC)COC)CC[C@@H]1[NH3+] ZINC000395339118 711208515 /nfs/dbraw/zinc/20/85/15/711208515.db2.gz ARNBANXJCXOXEO-PWSUYJOCSA-N 1 3 230.352 0.707 20 0 BCADHO COC[C@H](CCO)[NH2+][C@@H]1CCCN[C@H]1C ZINC000396618999 711361156 /nfs/dbraw/zinc/36/11/56/711361156.db2.gz HDGHYGPRFSETJM-GARJFASQSA-N 1 3 216.325 0.114 20 0 BCADHO COC[C@H](CCO)[NH2+][C@H]1CCCN[C@H]1C ZINC000396618998 711361379 /nfs/dbraw/zinc/36/13/79/711361379.db2.gz HDGHYGPRFSETJM-DCAQKATOSA-N 1 3 216.325 0.114 20 0 BCADHO C[C@H](CCCO)N[C@H]1CCC[NH2+][C@H]1C ZINC000396570609 711355660 /nfs/dbraw/zinc/35/56/60/711355660.db2.gz LCUZFPABGBVVPJ-VWYCJHECSA-N 1 3 200.326 0.878 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NCCN1CCCC1 ZINC000396587936 711356545 /nfs/dbraw/zinc/35/65/45/711356545.db2.gz IIKCTHZRXHPHSO-NEPJUHHUSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NCCN1CCCC1 ZINC000396587938 711357524 /nfs/dbraw/zinc/35/75/24/711357524.db2.gz IIKCTHZRXHPHSO-NWDGAFQWSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NC1CCC(C(N)=O)CC1 ZINC000396580110 711357602 /nfs/dbraw/zinc/35/76/02/711357602.db2.gz FAUQZFIVOIJVGK-HBIQZDMRSA-N 1 3 239.363 0.761 20 0 BCADHO CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044958184 710834053 /nfs/dbraw/zinc/83/40/53/710834053.db2.gz GELJEKLHAHWJQL-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)[C@H]1C ZINC001074709854 711444477 /nfs/dbraw/zinc/44/44/77/711444477.db2.gz SVKLKMHFMHJERS-SDDRHHMPSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1CN([C@@H]2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723901175 711544114 /nfs/dbraw/zinc/54/41/14/711544114.db2.gz OJEHCFBUEJTNGP-OPRDCNLKSA-N 1 3 212.293 0.219 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000724874445 711622526 /nfs/dbraw/zinc/62/25/26/711622526.db2.gz VSXFRCHPFKVQAP-WRWGMCAJSA-N 1 3 228.336 0.650 20 0 BCADHO COCCCN1CCCO[C@@H](C[NH3+])C1 ZINC000313353210 711717545 /nfs/dbraw/zinc/71/75/45/711717545.db2.gz PAQUZSVTPKLCDV-JTQLQIEISA-N 1 3 202.298 0.073 20 0 BCADHO CC(C)[C@H](C)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000125542054 711730232 /nfs/dbraw/zinc/73/02/32/711730232.db2.gz MHCBBCLUKGKVDM-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]([NH2+]CCO[C@H]1CCOC1)[C@H]1CCCCN1 ZINC000925875598 711761550 /nfs/dbraw/zinc/76/15/50/711761550.db2.gz VDAWFQCAPFRWDJ-RWMBFGLXSA-N 1 3 242.363 0.912 20 0 BCADHO CC[C@H](C)NC(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000160040588 711805613 /nfs/dbraw/zinc/80/56/13/711805613.db2.gz VYSOBWKLKZBVPD-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCOC[C@@H](O)CN1CCCC[C@@H]1CC[NH3+] ZINC000069720978 711893345 /nfs/dbraw/zinc/89/33/45/711893345.db2.gz BEJWFVPVESHPKU-NEPJUHHUSA-N 1 3 230.352 0.587 20 0 BCADHO CCN1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032131515 711904526 /nfs/dbraw/zinc/90/45/26/711904526.db2.gz MZSXBGVYLWXOMT-UHFFFAOYSA-N 1 3 237.347 0.150 20 0 BCADHO CN(Cc1ccc(N)nn1)CC1CC[NH+](C)CC1 ZINC000703977906 712097011 /nfs/dbraw/zinc/09/70/11/712097011.db2.gz KDCPGNRRCFSTEJ-UHFFFAOYSA-N 1 3 249.362 0.832 20 0 BCADHO CCOC[C@H]1CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000705805552 712135944 /nfs/dbraw/zinc/13/59/44/712135944.db2.gz DAGOQPGMDPBZCJ-GRYCIOLGSA-N 1 3 228.336 0.461 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000709272173 712219002 /nfs/dbraw/zinc/21/90/02/712219002.db2.gz BOQVEVQNEMYVLG-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@H](O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709996062 712238539 /nfs/dbraw/zinc/23/85/39/712238539.db2.gz LNKSSCJEVLGRSD-NWDGAFQWSA-N 1 3 212.337 0.833 20 0 BCADHO NCC(C[NH3+])NCc1ccc2c(c1)CCC2 ZINC000710060253 712243779 /nfs/dbraw/zinc/24/37/79/712243779.db2.gz BUILROZUXDPXOU-UHFFFAOYSA-N 1 3 219.332 0.551 20 0 BCADHO CC[NH2+]CC(=O)N1CCN(C)C(C)(C)CC1 ZINC000712668674 712440010 /nfs/dbraw/zinc/44/00/10/712440010.db2.gz KYOGDYVNYGRBMU-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000712536307 712442802 /nfs/dbraw/zinc/44/28/02/712442802.db2.gz RNOPZYUKVBQQJB-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CCNCCC1(C)C ZINC000712536307 712442803 /nfs/dbraw/zinc/44/28/03/712442803.db2.gz RNOPZYUKVBQQJB-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000712537208 712442950 /nfs/dbraw/zinc/44/29/50/712442950.db2.gz YQWQTOIYSMCXAL-JTQLQIEISA-N 1 3 216.325 0.068 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCNCCC1(C)C ZINC000712537208 712442952 /nfs/dbraw/zinc/44/29/52/712442952.db2.gz YQWQTOIYSMCXAL-JTQLQIEISA-N 1 3 216.325 0.068 20 0 BCADHO CCN1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000712576966 712448179 /nfs/dbraw/zinc/44/81/79/712448179.db2.gz COHMWTPILNNNBQ-CHWSQXEVSA-N 1 3 241.379 0.127 20 0 BCADHO CS(=O)(=O)[C@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000714244324 712480095 /nfs/dbraw/zinc/48/00/95/712480095.db2.gz HONQEYXNQFYDHP-GWOFURMSSA-N 1 3 246.376 0.422 20 0 BCADHO [NH3+]C[C@@H]1[C@H](C(=O)NCCN2CCCC2)C1(F)F ZINC000715124276 712510805 /nfs/dbraw/zinc/51/08/05/712510805.db2.gz KXRQTGAONZWDIX-RKDXNWHRSA-N 1 3 247.289 0.038 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715128133 712511239 /nfs/dbraw/zinc/51/12/39/712511239.db2.gz YITMGWOHSGBGFF-VGMNWLOBSA-N 1 3 247.289 0.037 20 0 BCADHO C[C@@H](NCCCC[NH+](C)C)c1cn(C)nn1 ZINC000715877837 712538412 /nfs/dbraw/zinc/53/84/12/712538412.db2.gz PCUUTBWIFFNTTJ-SNVBAGLBSA-N 1 3 225.340 0.808 20 0 BCADHO Cc1cn[nH]c1CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000716454124 712561978 /nfs/dbraw/zinc/56/19/78/712561978.db2.gz VAYXMWBKZBVKIU-VHSXEESVSA-N 1 3 208.309 0.934 20 0 BCADHO [NH3+]CC1(O)CCN(CCOC(F)F)CC1 ZINC000852751971 712612876 /nfs/dbraw/zinc/61/28/76/712612876.db2.gz KVMQGMZCYFWAOF-UHFFFAOYSA-N 1 3 224.251 0.011 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718461530 712763785 /nfs/dbraw/zinc/76/37/85/712763785.db2.gz UWINZVIEFKVETK-RSJDFQLWSA-N 1 3 239.363 0.748 20 0 BCADHO COC[C@@H](C)CN1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720643357 712860677 /nfs/dbraw/zinc/86/06/77/712860677.db2.gz WFHLDGFZSUFBQJ-SDDRHHMPSA-N 1 3 212.337 0.810 20 0 BCADHO COCC[C@@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720860973 712870878 /nfs/dbraw/zinc/87/08/78/712870878.db2.gz MSZPGZWBMJCCKO-GRYCIOLGSA-N 1 3 212.337 0.953 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720888193 712874547 /nfs/dbraw/zinc/87/45/47/712874547.db2.gz MHRJRNGKPGXDPE-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000720901451 712876165 /nfs/dbraw/zinc/87/61/65/712876165.db2.gz SALRTASNGGPNAT-BJDJZHNGSA-N 1 3 237.347 0.419 20 0 BCADHO CC[NH2+]CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720904014 712876212 /nfs/dbraw/zinc/87/62/12/712876212.db2.gz WBSXLBUSQIVWNG-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CN(C)Cc1ccnc(N2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)c1 ZINC001164440785 718986690 /nfs/dbraw/zinc/98/66/90/718986690.db2.gz RZFZXGPJUGEJMN-PJXYFTJBSA-N 1 3 232.331 0.537 20 0 BCADHO C[C@@H](CNCCC(N)=O)C[NH+]1CCCC1 ZINC000062071156 349437406 /nfs/dbraw/zinc/43/74/06/349437406.db2.gz GVZZBZTZTQRLCU-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO C[C@@H](C[NH2+]CCC(N)=O)CN1CCCC1 ZINC000062071156 349437410 /nfs/dbraw/zinc/43/74/10/349437410.db2.gz GVZZBZTZTQRLCU-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000649318585 398141877 /nfs/dbraw/zinc/14/18/77/398141877.db2.gz XPXMAYAQURUYHE-KKOKHZNYSA-N 1 3 237.347 0.289 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(C)C1CC1 ZINC000649319613 398142886 /nfs/dbraw/zinc/14/28/86/398142886.db2.gz JZJDQIZCGLJUJY-IQIPOGNMSA-N 1 3 237.347 0.336 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000361739782 168324659 /nfs/dbraw/zinc/32/46/59/168324659.db2.gz YZNSKYDQWRSICI-NSHDSACASA-N 1 3 231.315 0.322 20 0 BCADHO CN(CC1CC[NH+](C)CC1)C(=O)CNC1CC1 ZINC000063124232 349506521 /nfs/dbraw/zinc/50/65/21/349506521.db2.gz BPCHLXWRDVPKOU-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CCC(C)(C)[NH3+])C1 ZINC000649341939 398158895 /nfs/dbraw/zinc/15/88/95/398158895.db2.gz AYWZTVUXDRRRBF-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CC2([NH3+])CCC2)C1 ZINC000649342062 398158903 /nfs/dbraw/zinc/15/89/03/398158903.db2.gz JQAKQPYCXOYAHM-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC(C[NH2+]C)CC1 ZINC000063166271 349500810 /nfs/dbraw/zinc/50/08/10/349500810.db2.gz RFJIFYDDNDGHTP-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000062972824 349502914 /nfs/dbraw/zinc/50/29/14/349502914.db2.gz IOFRIXCZYURTFP-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973595 349503547 /nfs/dbraw/zinc/50/35/47/349503547.db2.gz KVJZQFDVRQZVMI-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000379591081 398155906 /nfs/dbraw/zinc/15/59/06/398155906.db2.gz WEWVHXPGWGHNSM-LLVKDONJSA-N 1 3 222.336 0.930 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NCCc1cn[nH]c1 ZINC000379591081 398155910 /nfs/dbraw/zinc/15/59/10/398155910.db2.gz WEWVHXPGWGHNSM-LLVKDONJSA-N 1 3 222.336 0.930 20 0 BCADHO CN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422905782 398157268 /nfs/dbraw/zinc/15/72/68/398157268.db2.gz SSSUEBBAQWXLEM-ZGVCCVRISA-N 1 3 223.364 0.953 20 0 BCADHO NC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000238034073 398157456 /nfs/dbraw/zinc/15/74/56/398157456.db2.gz AFDSNTHGKAXDGQ-CHWSQXEVSA-N 1 3 247.342 0.597 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000649341576 398158148 /nfs/dbraw/zinc/15/81/48/398158148.db2.gz INNNRDHAYAPGRS-WDEREUQCSA-N 1 3 239.363 0.442 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426298 398170753 /nfs/dbraw/zinc/17/07/53/398170753.db2.gz RTMFUZLECVXXPJ-RYUDHWBXSA-N 1 3 242.363 0.635 20 0 BCADHO [NH3+][C@H]1CCC[C@H](NCC2(CO)CCOCC2)C1 ZINC000563426298 398170756 /nfs/dbraw/zinc/17/07/56/398170756.db2.gz RTMFUZLECVXXPJ-RYUDHWBXSA-N 1 3 242.363 0.635 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426296 398170863 /nfs/dbraw/zinc/17/08/63/398170863.db2.gz RTMFUZLECVXXPJ-NEPJUHHUSA-N 1 3 242.363 0.635 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCC2(CO)CCOCC2)C1 ZINC000563426296 398170866 /nfs/dbraw/zinc/17/08/66/398170866.db2.gz RTMFUZLECVXXPJ-NEPJUHHUSA-N 1 3 242.363 0.635 20 0 BCADHO CC(C)(N)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000379992859 398179727 /nfs/dbraw/zinc/17/97/27/398179727.db2.gz YNYRYCCOLBHCBW-SNVBAGLBSA-N 1 3 200.326 0.818 20 0 BCADHO CC(C)(N)C[N@H+]1CCC[C@H](CCO)C1 ZINC000379992859 398179729 /nfs/dbraw/zinc/17/97/29/398179729.db2.gz YNYRYCCOLBHCBW-SNVBAGLBSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000649348353 398161394 /nfs/dbraw/zinc/16/13/94/398161394.db2.gz IRJGTILJGFOWAD-JBLDHEPKSA-N 1 3 237.347 0.480 20 0 BCADHO COC(=O)C(C)(C)CNC[C@@]1(C)CC[NH2+]C1 ZINC000415096953 398161842 /nfs/dbraw/zinc/16/18/42/398161842.db2.gz CEHRPKQLLWBCMQ-LBPRGKRZSA-N 1 3 228.336 0.775 20 0 BCADHO CCCCN(CC[C@H]1CC[NH2+]C1)CC(N)=O ZINC000396737557 398167309 /nfs/dbraw/zinc/16/73/09/398167309.db2.gz LVADBDQHJUJQDI-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCN(C)C1CC1 ZINC000576224802 365528386 /nfs/dbraw/zinc/52/83/86/365528386.db2.gz CPOXWYFGCPXWPC-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO CC1([NH3+])CCN(CCCN2CCOCC2)CC1 ZINC000649416235 398215950 /nfs/dbraw/zinc/21/59/50/398215950.db2.gz ZSCJMPKFAHIMKV-UHFFFAOYSA-N 1 3 241.379 0.522 20 0 BCADHO Cn1cc(C[C@@H]2CCN(CCC[NH3+])C2)cn1 ZINC000649414263 398212963 /nfs/dbraw/zinc/21/29/63/398212963.db2.gz OZLONYFVTRONBL-NSHDSACASA-N 1 3 222.336 0.633 20 0 BCADHO Cn1cc(C[C@@H]2CCN(C[C@H]3CC[NH2+]C3)C2)cn1 ZINC000649414152 398212985 /nfs/dbraw/zinc/21/29/85/398212985.db2.gz JKISRRYTHTXFHG-STQMWFEESA-N 1 3 248.374 0.894 20 0 BCADHO Cn1cc(C[C@@H]2CCN(C[C@@H]3CC[NH2+]C3)C2)cn1 ZINC000649414151 398213270 /nfs/dbraw/zinc/21/32/70/398213270.db2.gz JKISRRYTHTXFHG-QWHCGFSZSA-N 1 3 248.374 0.894 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000576411362 365589919 /nfs/dbraw/zinc/58/99/19/365589919.db2.gz DVGOOVIVNVHUHG-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000576411362 365589922 /nfs/dbraw/zinc/58/99/22/365589922.db2.gz DVGOOVIVNVHUHG-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418365735 192028742 /nfs/dbraw/zinc/02/87/42/192028742.db2.gz FEUXMUOICBOFGZ-HBNTYKKESA-N 1 3 242.367 0.234 20 0 BCADHO CN(C)CC(C)(C)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418369552 192029191 /nfs/dbraw/zinc/02/91/91/192029191.db2.gz NPLNSDADSFMPMV-SNVBAGLBSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@](C[NH3+])(NCCn1cccn1)C1CC1 ZINC000430569144 398228965 /nfs/dbraw/zinc/22/89/65/398228965.db2.gz DRABRNMMLHZPPN-LLVKDONJSA-N 1 3 208.309 0.600 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418405254 192033866 /nfs/dbraw/zinc/03/38/66/192033866.db2.gz KWENVCSMPPGBJN-MXWKQRLJSA-N 1 3 242.367 0.362 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000418403754 192033400 /nfs/dbraw/zinc/03/34/00/192033400.db2.gz JUTCLUDAQXNWAF-OUAUKWLOSA-N 1 3 242.367 0.362 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167529780 488175691 /nfs/dbraw/zinc/17/56/91/488175691.db2.gz XFFAZMUCYDEWBM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167529780 488175696 /nfs/dbraw/zinc/17/56/96/488175696.db2.gz XFFAZMUCYDEWBM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000576463482 365602306 /nfs/dbraw/zinc/60/23/06/365602306.db2.gz SBVYTCNIRLKRCC-OUAUKWLOSA-N 1 3 239.363 0.631 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000381266389 398242203 /nfs/dbraw/zinc/24/22/03/398242203.db2.gz UGACKZJWHLSCOT-IVZWLZJFSA-N 1 3 213.325 0.165 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000576475415 365606013 /nfs/dbraw/zinc/60/60/13/365606013.db2.gz CXDOKPIRPDBRGQ-XQQFMLRXSA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C ZINC000576475415 365606017 /nfs/dbraw/zinc/60/60/17/365606017.db2.gz CXDOKPIRPDBRGQ-XQQFMLRXSA-N 1 3 243.395 0.323 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCC2)CC[C@@H]1[NH3+] ZINC000576517009 365615118 /nfs/dbraw/zinc/61/51/18/365615118.db2.gz RSSQNYMRIHLHCJ-BDAKNGLRSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CN1 ZINC000576581352 365630090 /nfs/dbraw/zinc/63/00/90/365630090.db2.gz FFLKASRVZNITGV-QCNOEVLYSA-N 1 3 239.363 0.583 20 0 BCADHO CN(C)CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418432353 192037563 /nfs/dbraw/zinc/03/75/63/192037563.db2.gz UFNJHTUDHDCPRH-GHMZBOCLSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N(C)CCN(C)C1CC1 ZINC000418461957 192037839 /nfs/dbraw/zinc/03/78/39/192037839.db2.gz AXQTWYRMVKPSKG-JTQLQIEISA-N 1 3 242.367 0.317 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000323018459 259309399 /nfs/dbraw/zinc/30/93/99/259309399.db2.gz IWHUPDQEDUYTPX-DCAQKATOSA-N 1 3 227.352 0.631 20 0 BCADHO C([C@@H]1CC[NH2+]C1)N1CC[C@@]2(CCOC2)C1 ZINC000381410662 398253763 /nfs/dbraw/zinc/25/37/63/398253763.db2.gz UIPJFKRIAUBZTC-VXGBXAGGSA-N 1 3 210.321 0.708 20 0 BCADHO C([C@@H]1CC[NH2+]C1)N1CC[C@]2(CCOC2)C1 ZINC000381410291 398256486 /nfs/dbraw/zinc/25/64/86/398256486.db2.gz UIPJFKRIAUBZTC-NEPJUHHUSA-N 1 3 210.321 0.708 20 0 BCADHO [NH3+]CCCN1CCC(n2ccnc2)CC1 ZINC000565046542 323006029 /nfs/dbraw/zinc/00/60/29/323006029.db2.gz MGMYTADLQULMNQ-UHFFFAOYSA-N 1 3 208.309 0.869 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000576705146 365664571 /nfs/dbraw/zinc/66/45/71/365664571.db2.gz RWWVGVVQIZCLHO-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]([NH3+])CC(=O)Nc1cccc(CN)c1 ZINC000381790643 398271975 /nfs/dbraw/zinc/27/19/75/398271975.db2.gz ZUNZYUDPPXUAOM-MRVPVSSYSA-N 1 3 207.277 0.821 20 0 BCADHO CCN[C@H](C)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740878 398278265 /nfs/dbraw/zinc/27/82/65/398278265.db2.gz LKKCLXRLOWLNNA-RTXFEEFZSA-N 1 3 239.363 0.442 20 0 BCADHO CCN(CCNC(=O)CCC[NH3+])C1CC1 ZINC000167208141 361861720 /nfs/dbraw/zinc/86/17/20/361861720.db2.gz NUMBGCORVVQRTD-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CSCC[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593250 349615552 /nfs/dbraw/zinc/61/55/52/349615552.db2.gz WCNFYOUFQATFBS-AEJSXWLSSA-N 1 3 243.376 0.030 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCN2CCC1CC2 ZINC000335464289 398288976 /nfs/dbraw/zinc/28/89/76/398288976.db2.gz ORMPMWGYDIBISR-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO CC1(C)CN(C(=O)C2([NH3+])CCC2)CCN1 ZINC000335621950 136239866 /nfs/dbraw/zinc/23/98/66/136239866.db2.gz CRNQUJWXUYZNLM-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCNC(C)(C)C1 ZINC000335621940 136240044 /nfs/dbraw/zinc/24/00/44/136240044.db2.gz CMNGCOSXDYTLKJ-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418514959 192046403 /nfs/dbraw/zinc/04/64/03/192046403.db2.gz BEOBPECIJVJOJY-NSHDSACASA-N 1 3 244.383 0.705 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417818957 398293907 /nfs/dbraw/zinc/29/39/07/398293907.db2.gz SVFFNOUXJSZLLJ-GHMZBOCLSA-N 1 3 227.352 0.490 20 0 BCADHO CC(C)[NH+]1CCC(O)(CNC2CSC2)CC1 ZINC000381502553 539002220 /nfs/dbraw/zinc/00/22/20/539002220.db2.gz PFMYIBVBXRTFQC-UHFFFAOYSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418527099 192047710 /nfs/dbraw/zinc/04/77/10/192047710.db2.gz NPBGJOQCVFKQFX-IVZWLZJFSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]1C[C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000390618672 539026637 /nfs/dbraw/zinc/02/66/37/539026637.db2.gz HRVZOCJCULIFPX-XQHKEYJVSA-N 1 3 224.348 0.953 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C1 ZINC000389568955 539016773 /nfs/dbraw/zinc/01/67/73/539016773.db2.gz AGSMDHWRIWUOCL-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C1 ZINC000389568955 539016774 /nfs/dbraw/zinc/01/67/74/539016774.db2.gz AGSMDHWRIWUOCL-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO [NH3+][C@@H]1CC[C@@H]2CN([C@H]3CCN(C4CC4)C3=O)C[C@H]12 ZINC000351474771 136245984 /nfs/dbraw/zinc/24/59/84/136245984.db2.gz GRZDOUNXLITWFK-MGAJPHDKSA-N 1 3 249.358 0.419 20 0 BCADHO C[C@@H](N)C(=O)NCCC[NH+]1CCCCC1 ZINC000037467395 342932740 /nfs/dbraw/zinc/93/27/40/342932740.db2.gz GUGNKZHJQDNGFY-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CN1CC=C(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000392772382 398335204 /nfs/dbraw/zinc/33/52/04/398335204.db2.gz DNNBUZDEIBSYCU-LBPRGKRZSA-N 1 3 237.347 0.507 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351769725 136253185 /nfs/dbraw/zinc/25/31/85/136253185.db2.gz LFMOBWAIINOQMC-ZDCRXTMVSA-N 1 3 227.352 0.556 20 0 BCADHO CCN1CCC[C@H](NC(=O)CCC[NH3+])C1 ZINC000040503538 346903365 /nfs/dbraw/zinc/90/33/65/346903365.db2.gz AYRGNSTVFUUNST-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)C[NH3+] ZINC000418620700 192057426 /nfs/dbraw/zinc/05/74/26/192057426.db2.gz RARXGNCHDJUCBV-NSHDSACASA-N 1 3 244.383 0.563 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)CC[NH3+] ZINC000037825162 342985695 /nfs/dbraw/zinc/98/56/95/342985695.db2.gz GQINFWXWVXOYQM-UHFFFAOYSA-N 1 3 215.341 0.381 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050464954 343022685 /nfs/dbraw/zinc/02/26/85/343022685.db2.gz MJDKMTNFULFFGH-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)CNC1CC1 ZINC000236661728 343106132 /nfs/dbraw/zinc/10/61/32/343106132.db2.gz HVFWFKQHDVIRGY-UHFFFAOYSA-N 1 3 213.325 0.243 20 0 BCADHO C[NH+](C)C[C@H]1CCCCN1C(=O)CNC1CC1 ZINC000237035776 343121333 /nfs/dbraw/zinc/12/13/33/343121333.db2.gz SJFPFTIEGZDATF-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@H](C)CC[NH+](C)C ZINC000049557238 343111695 /nfs/dbraw/zinc/11/16/95/343111695.db2.gz DNIGWLKMECXLKM-NEPJUHHUSA-N 1 3 232.368 0.702 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000236872733 343112883 /nfs/dbraw/zinc/11/28/83/343112883.db2.gz IIAQBNZFNSOVCI-BDAKNGLRSA-N 1 3 201.314 0.086 20 0 BCADHO CC[N@H+](CCNC(=O)CNC1CC1)C(C)C ZINC000236858241 343113803 /nfs/dbraw/zinc/11/38/03/343113803.db2.gz MITAYPMXHGMUIX-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO CC[N@@H+](CCNC(=O)CNC1CC1)C(C)C ZINC000236858241 343113804 /nfs/dbraw/zinc/11/38/04/343113804.db2.gz MITAYPMXHGMUIX-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC(C)(C)C1 ZINC000576879302 365713347 /nfs/dbraw/zinc/71/33/47/365713347.db2.gz FDXJWDLPQFSZQX-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC(C)(C)C1 ZINC000576879302 365713355 /nfs/dbraw/zinc/71/33/55/365713355.db2.gz FDXJWDLPQFSZQX-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC(C)(C)C1 ZINC000576879302 365713359 /nfs/dbraw/zinc/71/33/59/365713359.db2.gz FDXJWDLPQFSZQX-LLVKDONJSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H](N)c1ccccc1 ZINC000237171803 343128210 /nfs/dbraw/zinc/12/82/10/343128210.db2.gz NYMIKNLXMFZXJL-GFCCVEGCSA-N 1 3 235.331 0.802 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](N)c1ccccc1 ZINC000237236722 343130915 /nfs/dbraw/zinc/13/09/15/343130915.db2.gz YFXWMGKXMFYKTM-JTQLQIEISA-N 1 3 207.277 0.022 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000092956243 343149770 /nfs/dbraw/zinc/14/97/70/343149770.db2.gz HTCKKOVSIDOEPS-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H](N(C)C)C1 ZINC000092957455 343150650 /nfs/dbraw/zinc/15/06/50/343150650.db2.gz DCSYDWVBKSIEFD-SRVKXCTJSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000126465986 343170209 /nfs/dbraw/zinc/17/02/09/343170209.db2.gz YJWSOEKJMZMPQH-WOPDTQHZSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000126465986 343170210 /nfs/dbraw/zinc/17/02/10/343170210.db2.gz YJWSOEKJMZMPQH-WOPDTQHZSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCN1CCCC1 ZINC000418690604 192060890 /nfs/dbraw/zinc/06/08/90/192060890.db2.gz CXPIMZZWKVLGPS-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129080712 343176024 /nfs/dbraw/zinc/17/60/24/343176024.db2.gz XPYQBTPMGIMFMN-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000129080712 343176026 /nfs/dbraw/zinc/17/60/26/343176026.db2.gz XPYQBTPMGIMFMN-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[NH+]1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000148103667 343196092 /nfs/dbraw/zinc/19/60/92/343196092.db2.gz OJNLCAXISZXNKZ-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO C[NH+]1CCC(CCNC(=O)CNC2CC2)CC1 ZINC000154638369 343198358 /nfs/dbraw/zinc/19/83/58/343198358.db2.gz YHXICUUSNANOJH-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO NC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000147785423 343198445 /nfs/dbraw/zinc/19/84/45/343198445.db2.gz DZMGHHLHIJSWNB-JTQLQIEISA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC1 ZINC000147785423 343198447 /nfs/dbraw/zinc/19/84/47/343198447.db2.gz DZMGHHLHIJSWNB-JTQLQIEISA-N 1 3 237.347 0.468 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CNC2CC2)CC[N@@H+]1C ZINC000157886023 343200465 /nfs/dbraw/zinc/20/04/65/343200465.db2.gz JVQOTCXKYGWXKD-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CNC2CC2)CC[N@H+]1C ZINC000157886023 343200466 /nfs/dbraw/zinc/20/04/66/343200466.db2.gz JVQOTCXKYGWXKD-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)N1CCCC1 ZINC000161053071 343204286 /nfs/dbraw/zinc/20/42/86/343204286.db2.gz QNJKTHDAKKIXOG-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CCCC[C@H](N)C(=O)N(C)CCC[NH2+]C ZINC000087471660 136281555 /nfs/dbraw/zinc/28/15/55/136281555.db2.gz ZCDPHSRAEKMHGT-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CN1CCC[C@H]2C[N@H+](CCCO)CC[C@@H]21 ZINC000088091290 136284427 /nfs/dbraw/zinc/28/44/27/136284427.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CCC[C@H]2C[N@@H+](CCCO)CC[C@@H]21 ZINC000088091290 136284428 /nfs/dbraw/zinc/28/44/28/136284428.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+]1CCC[C@H]2CN(CCCO)CC[C@@H]21 ZINC000088091290 136284429 /nfs/dbraw/zinc/28/44/29/136284429.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@H+]1CCC[C@H]2CN(CCCO)CC[C@@H]21 ZINC000088091290 136284430 /nfs/dbraw/zinc/28/44/30/136284430.db2.gz QBVUDGSVTGYKIO-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[N@@H+](Cc1cccc2ncccc12)C[C@@H](O)CN ZINC000634687864 343245045 /nfs/dbraw/zinc/24/50/45/343245045.db2.gz BLNHRKVNPZYALG-LBPRGKRZSA-N 1 3 245.326 0.986 20 0 BCADHO C[N@H+](Cc1cccc2ncccc12)C[C@@H](O)CN ZINC000634687864 343245048 /nfs/dbraw/zinc/24/50/48/343245048.db2.gz BLNHRKVNPZYALG-LBPRGKRZSA-N 1 3 245.326 0.986 20 0 BCADHO C([C@H]1CCCNC1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688422 343246375 /nfs/dbraw/zinc/24/63/75/343246375.db2.gz RTDBMKXZFJLOEZ-SDDRHHMPSA-N 1 3 210.321 0.564 20 0 BCADHO C([C@H]1CCCNC1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634688422 343246378 /nfs/dbraw/zinc/24/63/78/343246378.db2.gz RTDBMKXZFJLOEZ-SDDRHHMPSA-N 1 3 210.321 0.564 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@H](C)O)CC1 ZINC000035112475 343284826 /nfs/dbraw/zinc/28/48/26/343284826.db2.gz LYFUTPXOJCXXLY-JTQLQIEISA-N 1 3 200.326 0.830 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089462230 343320945 /nfs/dbraw/zinc/32/09/45/343320945.db2.gz GIUWZHWMBGHZQZ-GRYCIOLGSA-N 1 3 239.363 0.524 20 0 BCADHO Cc1nccn1CCCN1CC[C@@H](C[NH3+])C1 ZINC000348753826 136296662 /nfs/dbraw/zinc/29/66/62/136296662.db2.gz XXRDNPURIQQEBR-LBPRGKRZSA-N 1 3 222.336 0.862 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000584051624 343306911 /nfs/dbraw/zinc/30/69/11/343306911.db2.gz ITJGETIMAZNMRN-AEJSXWLSSA-N 1 3 230.356 0.362 20 0 BCADHO CC1(C)CN(C(=O)C[C@@H]2CCC[NH2+]2)CCN1 ZINC000335627914 136299607 /nfs/dbraw/zinc/29/96/07/136299607.db2.gz VXBAZIVIAVBQQU-JTQLQIEISA-N 1 3 225.336 0.339 20 0 BCADHO O=C([C@H]1CCCCN1)N1CCC2(CC[NH2+]2)CC1 ZINC000335629752 136300087 /nfs/dbraw/zinc/30/00/87/136300087.db2.gz BSFVRXDGDRXDQQ-LLVKDONJSA-N 1 3 237.347 0.483 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)[NH+](C)C ZINC000038089224 343370323 /nfs/dbraw/zinc/37/03/23/343370323.db2.gz LCGLZGUTFIYPSW-WCQYABFASA-N 1 3 249.358 0.623 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335648362 136304317 /nfs/dbraw/zinc/30/43/17/136304317.db2.gz GDNFYBRURYNSIX-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO CN1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000335673272 136317168 /nfs/dbraw/zinc/31/71/68/136317168.db2.gz ANNULXYPXPLNJF-GFCCVEGCSA-N 1 3 239.363 0.491 20 0 BCADHO CN1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000335673273 136317231 /nfs/dbraw/zinc/31/72/31/136317231.db2.gz ANNULXYPXPLNJF-LBPRGKRZSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H]1CCN(C(=O)C(C)(C)N)C[C@@H]1C[NH3+] ZINC000335659227 136307159 /nfs/dbraw/zinc/30/71/59/136307159.db2.gz ZPBCBSUDAOQPSI-BDAKNGLRSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@H]1CCN(C(=O)C(C)(C)N)C[C@@H]1C[NH3+] ZINC000335659231 136307543 /nfs/dbraw/zinc/30/75/43/136307543.db2.gz ZPBCBSUDAOQPSI-IUCAKERBSA-N 1 3 213.325 0.167 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000349084888 136322773 /nfs/dbraw/zinc/32/27/73/136322773.db2.gz ZKFCCEJRKDYNNV-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000335694156 136326158 /nfs/dbraw/zinc/32/61/58/136326158.db2.gz PZXAKYSWCKPVPF-GHMZBOCLSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418703401 192063046 /nfs/dbraw/zinc/06/30/46/192063046.db2.gz QNLFVXZBWFXMAU-ZYUZMQFOSA-N 1 3 228.340 0.114 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000166335945 136351767 /nfs/dbraw/zinc/35/17/67/136351767.db2.gz SBZMNHBVMOCNMP-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335718447 136340504 /nfs/dbraw/zinc/34/05/04/136340504.db2.gz JTWXPUXKMXZDHF-NEPJUHHUSA-N 1 3 239.363 0.537 20 0 BCADHO CCCN(C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000350078540 136354061 /nfs/dbraw/zinc/35/40/61/136354061.db2.gz PKPVTRKIPWUVGN-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO N[C@@H](C(=O)NC1CCC([NH3+])CC1)C1CCC1 ZINC000335654607 136376244 /nfs/dbraw/zinc/37/62/44/136376244.db2.gz WGOPSPGQWSDUCX-VQXHTEKXSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)[NH+](C)C ZINC000616488326 343471146 /nfs/dbraw/zinc/47/11/46/343471146.db2.gz JGRYBLYOZRDGTI-SRVKXCTJSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H](NC(=O)N1C[C@@H](C)NC[C@H]1C)[C@H](C)[NH3+] ZINC000418703396 192063143 /nfs/dbraw/zinc/06/31/43/192063143.db2.gz QNLFVXZBWFXMAU-DOLQZWNJSA-N 1 3 228.340 0.114 20 0 BCADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CN(C)C2)C1 ZINC000618190509 343551829 /nfs/dbraw/zinc/55/18/29/343551829.db2.gz VYYYLDFOEQSLCU-LLVKDONJSA-N 1 3 239.363 0.348 20 0 BCADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CN(C)C2)C1 ZINC000618190509 343551832 /nfs/dbraw/zinc/55/18/32/343551832.db2.gz VYYYLDFOEQSLCU-LLVKDONJSA-N 1 3 239.363 0.348 20 0 BCADHO CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCCCN1C ZINC000618190748 343557098 /nfs/dbraw/zinc/55/70/98/343557098.db2.gz DWWIGIYKGHPMTK-GFCCVEGCSA-N 1 3 239.363 0.491 20 0 BCADHO CC(C)[C@H](C(=O)N(C)CC1CN(C)C1)[NH+](C)C ZINC000618192172 343583263 /nfs/dbraw/zinc/58/32/63/343583263.db2.gz FJKLGSDUFVQQDB-GFCCVEGCSA-N 1 3 241.379 0.593 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N(C)CC1CN(C)C1 ZINC000618195117 343620103 /nfs/dbraw/zinc/62/01/03/343620103.db2.gz WQJGWDQFYWBLLG-UHFFFAOYSA-N 1 3 227.352 0.347 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N(C)CC1CN(C)C1 ZINC000618195117 343620104 /nfs/dbraw/zinc/62/01/04/343620104.db2.gz WQJGWDQFYWBLLG-UHFFFAOYSA-N 1 3 227.352 0.347 20 0 BCADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000576099224 343708047 /nfs/dbraw/zinc/70/80/47/343708047.db2.gz LHVYSLIYAJAWSB-MTVMDMGHSA-N 1 3 228.336 0.506 20 0 BCADHO CC[NH+]1CCC(NCCN2CCC2)CC1 ZINC000309044786 346957627 /nfs/dbraw/zinc/95/76/27/346957627.db2.gz NSMZGNJJJPDFGM-UHFFFAOYSA-N 1 3 211.353 0.766 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000262566398 349858603 /nfs/dbraw/zinc/85/86/03/349858603.db2.gz DIJJLRJPVZJVGB-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418731261 192065711 /nfs/dbraw/zinc/06/57/11/192065711.db2.gz PTDMTUFHDTXSRB-BBBLOLIVSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(N)CCC1 ZINC000584231075 343775879 /nfs/dbraw/zinc/77/58/79/343775879.db2.gz WQTXTEVWBOZFLF-BDAKNGLRSA-N 1 3 211.309 0.064 20 0 BCADHO N[C@H](CNC(=O)CCC[NH3+])c1ccccc1 ZINC000576516130 343752520 /nfs/dbraw/zinc/75/25/20/343752520.db2.gz KOLGSZFWUPCCAW-LLVKDONJSA-N 1 3 221.304 0.542 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418738172 192065210 /nfs/dbraw/zinc/06/52/10/192065210.db2.gz WUSAVLIAKPMMAO-GUBZILKMSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N ZINC000263265934 349861374 /nfs/dbraw/zinc/86/13/74/349861374.db2.gz NQZLXVBWFVNRDW-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)N ZINC000263265934 349861375 /nfs/dbraw/zinc/86/13/75/349861375.db2.gz NQZLXVBWFVNRDW-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159051858 346994221 /nfs/dbraw/zinc/99/42/21/346994221.db2.gz NXZJLBIZFUKMMU-ZWNOBZJWSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000569342991 343938862 /nfs/dbraw/zinc/93/88/62/343938862.db2.gz PLEQDPXFKGIJRZ-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@](C)(N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232955 362285212 /nfs/dbraw/zinc/28/52/12/362285212.db2.gz MNKNGXOSONYUOR-GFCCVEGCSA-N 1 3 237.351 0.862 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)CC(F)F ZINC000393802401 343963285 /nfs/dbraw/zinc/96/32/85/343963285.db2.gz UDCSGGCNCGQFEU-RQJHMYQMSA-N 1 3 223.267 0.068 20 0 BCADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(N)CCC1)C2 ZINC000634744360 344165407 /nfs/dbraw/zinc/16/54/07/344165407.db2.gz VUBANALRNHMOII-TXEJJXNPSA-N 1 3 237.347 0.326 20 0 BCADHO C[C@]1(CN2C[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000634735893 344124036 /nfs/dbraw/zinc/12/40/36/344124036.db2.gz UNSCSFZUTVEFRQ-TUAOUCFPSA-N 1 3 210.321 0.564 20 0 BCADHO C[C@@]1(CN2C[C@@H]3COC[C@@H]3C2)CC[NH2+]C1 ZINC000634735892 344124460 /nfs/dbraw/zinc/12/44/60/344124460.db2.gz UNSCSFZUTVEFRQ-GRYCIOLGSA-N 1 3 210.321 0.564 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000130332496 344130848 /nfs/dbraw/zinc/13/08/48/344130848.db2.gz HMZYIDYEKRSSII-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000130332496 344130849 /nfs/dbraw/zinc/13/08/49/344130849.db2.gz HMZYIDYEKRSSII-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000130462583 344140238 /nfs/dbraw/zinc/14/02/38/344140238.db2.gz MFMWRGBUOGHKMY-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000130462583 344140240 /nfs/dbraw/zinc/14/02/40/344140240.db2.gz MFMWRGBUOGHKMY-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000130454396 344140247 /nfs/dbraw/zinc/14/02/47/344140247.db2.gz KAIJEOPXHAIVIP-SNVBAGLBSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000130454396 344140248 /nfs/dbraw/zinc/14/02/48/344140248.db2.gz KAIJEOPXHAIVIP-SNVBAGLBSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000130481690 344141599 /nfs/dbraw/zinc/14/15/99/344141599.db2.gz WTVNYTVJYHHCAN-CMPLNLGQSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000130481690 344141600 /nfs/dbraw/zinc/14/16/00/344141600.db2.gz WTVNYTVJYHHCAN-CMPLNLGQSA-N 1 3 239.363 0.857 20 0 BCADHO CNCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634753626 344207738 /nfs/dbraw/zinc/20/77/38/344207738.db2.gz KJAAJKLFTHPQMZ-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO C[NH2+]CCCN(C)CC[C@@H]1CCOC1 ZINC000400616402 529964546 /nfs/dbraw/zinc/96/45/46/529964546.db2.gz IZTIGNHGTFZCDZ-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@H+](C)CC[C@@H]1CCOC1 ZINC000400616402 529964547 /nfs/dbraw/zinc/96/45/47/529964547.db2.gz IZTIGNHGTFZCDZ-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC000400616402 529964548 /nfs/dbraw/zinc/96/45/48/529964548.db2.gz IZTIGNHGTFZCDZ-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768777 344280784 /nfs/dbraw/zinc/28/07/84/344280784.db2.gz YHLUREQDQUUDFY-NRUUGDAUSA-N 1 3 237.347 0.243 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000573605416 344326631 /nfs/dbraw/zinc/32/66/31/344326631.db2.gz QNBQAFMDGFZTTL-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)[C@H](C(=O)NCCC[NH+](C)C)N(C)C ZINC000146643294 344366040 /nfs/dbraw/zinc/36/60/40/344366040.db2.gz LQEQDZXLMFEOPA-LLVKDONJSA-N 1 3 229.368 0.641 20 0 BCADHO CSCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000131863372 344355223 /nfs/dbraw/zinc/35/52/23/344355223.db2.gz CVMQUVZGLISJAB-KXUCPTDWSA-N 1 3 245.392 0.276 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)CCSC ZINC000131874388 344356877 /nfs/dbraw/zinc/35/68/77/344356877.db2.gz NCXSMIAZDKMVBR-BDAKNGLRSA-N 1 3 233.381 0.039 20 0 BCADHO COC(=O)CCCCN(C)C1CC([NH3+])C1 ZINC000600711752 344361643 /nfs/dbraw/zinc/36/16/43/344361643.db2.gz RVYRTMIPRBVGCV-UHFFFAOYSA-N 1 3 214.309 0.751 20 0 BCADHO COC(=O)CCCC[N@H+](C)C1CC(N)C1 ZINC000600711752 344361644 /nfs/dbraw/zinc/36/16/44/344361644.db2.gz RVYRTMIPRBVGCV-UHFFFAOYSA-N 1 3 214.309 0.751 20 0 BCADHO COC(=O)CCCC[N@@H+](C)C1CC(N)C1 ZINC000600711752 344361646 /nfs/dbraw/zinc/36/16/46/344361646.db2.gz RVYRTMIPRBVGCV-UHFFFAOYSA-N 1 3 214.309 0.751 20 0 BCADHO C[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000132506354 344303146 /nfs/dbraw/zinc/30/31/46/344303146.db2.gz ILSJFEYHCLVQJJ-MXWKQRLJSA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@]1(C(=O)NCCN(C)C)CCC[NH2+]1 ZINC000215695643 344395435 /nfs/dbraw/zinc/39/54/35/344395435.db2.gz DEJDFZUKSIGHSY-LLVKDONJSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023746 344487045 /nfs/dbraw/zinc/48/70/45/344487045.db2.gz ZAMSGQAZDDQKKC-UTUOFQBUSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023746 344487048 /nfs/dbraw/zinc/48/70/48/344487048.db2.gz ZAMSGQAZDDQKKC-UTUOFQBUSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH+]1CCC(CNC(=O)C(C)(C)N)CC1 ZINC000044526655 344541190 /nfs/dbraw/zinc/54/11/90/344541190.db2.gz UMOMVDMVGKXALE-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC(C[NH3+])CC1 ZINC000044514356 344541413 /nfs/dbraw/zinc/54/14/13/344541413.db2.gz RCQQCCSMTFTHAS-SECBINFHSA-N 1 3 213.325 0.134 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000044794824 344548011 /nfs/dbraw/zinc/54/80/11/344548011.db2.gz KWHBKUNLCDOQQJ-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000037612000 344552628 /nfs/dbraw/zinc/55/26/28/344552628.db2.gz RDHPOTACKIEJDB-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158293381 344584026 /nfs/dbraw/zinc/58/40/26/344584026.db2.gz FXTIJLIZAXIONC-DGCLKSJQSA-N 1 3 237.347 0.341 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NCCn1cncn1 ZINC000381732977 344586327 /nfs/dbraw/zinc/58/63/27/344586327.db2.gz XJBPPXHCFNDXRX-SNVBAGLBSA-N 1 3 223.324 0.256 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]CCn1cncn1 ZINC000381732977 344586331 /nfs/dbraw/zinc/58/63/31/344586331.db2.gz XJBPPXHCFNDXRX-SNVBAGLBSA-N 1 3 223.324 0.256 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H](C)[NH3+] ZINC000641481498 362450017 /nfs/dbraw/zinc/45/00/17/362450017.db2.gz YOXCJOUKOBHEQF-LLVKDONJSA-N 1 3 244.383 0.563 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CCN1C ZINC000577867800 344639397 /nfs/dbraw/zinc/63/93/97/344639397.db2.gz ADMLFSCBNCVFTH-VWYCJHECSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000578191567 344723797 /nfs/dbraw/zinc/72/37/97/344723797.db2.gz YCIPPMJNKXGECU-GARJFASQSA-N 1 3 227.352 0.474 20 0 BCADHO CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038865 344688494 /nfs/dbraw/zinc/68/84/94/344688494.db2.gz GCKJIYRTKKYSLH-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CC[C@H]1CCC[N@H+]1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038865 344688496 /nfs/dbraw/zinc/68/84/96/344688496.db2.gz GCKJIYRTKKYSLH-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](N)C(=O)NCC[NH2+]C(C)(C)C ZINC000152874271 344702403 /nfs/dbraw/zinc/70/24/03/344702403.db2.gz UQMNZXLENNNGRB-MRVPVSSYSA-N 1 3 201.314 0.228 20 0 BCADHO CN1CCC(O)(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000400641652 530050792 /nfs/dbraw/zinc/05/07/92/530050792.db2.gz QCFUIYNLIGIHLU-GFCCVEGCSA-N 1 3 242.363 0.459 20 0 BCADHO CC(C)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761291 537865198 /nfs/dbraw/zinc/86/51/98/537865198.db2.gz GGTHLBCMOTYAEP-NSHDSACASA-N 1 3 200.326 0.783 20 0 BCADHO CC(C)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761108 537864363 /nfs/dbraw/zinc/86/43/63/537864363.db2.gz GGTHLBCMOTYAEP-LLVKDONJSA-N 1 3 200.326 0.783 20 0 BCADHO CN[C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000578378970 344845726 /nfs/dbraw/zinc/84/57/26/344845726.db2.gz UVALXFQHESDPCV-WCBMZHEXSA-N 1 3 201.314 0.084 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000582127376 344898123 /nfs/dbraw/zinc/89/81/23/344898123.db2.gz SZSFOLLGMNJICO-SRVKXCTJSA-N 1 3 230.352 0.314 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000582127376 344898124 /nfs/dbraw/zinc/89/81/24/344898124.db2.gz SZSFOLLGMNJICO-SRVKXCTJSA-N 1 3 230.352 0.314 20 0 BCADHO CCOC[C@@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C ZINC000583435723 344953474 /nfs/dbraw/zinc/95/34/74/344953474.db2.gz BANBDQXLCUTXEV-NEPJUHHUSA-N 1 3 246.395 0.950 20 0 BCADHO CCOC[C@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C ZINC000583435724 344953670 /nfs/dbraw/zinc/95/36/70/344953670.db2.gz BANBDQXLCUTXEV-NWDGAFQWSA-N 1 3 246.395 0.950 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](N)CC(C)C ZINC000154788838 345050670 /nfs/dbraw/zinc/05/06/70/345050670.db2.gz VWFZEHNAWYDZQI-ZJUUUORDSA-N 1 3 215.341 0.332 20 0 BCADHO CC1(C)C[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000044368850 345038388 /nfs/dbraw/zinc/03/83/88/345038388.db2.gz QMWXJLUYIVYGPI-MNOVXSKESA-N 1 3 212.337 0.831 20 0 BCADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)CSC)C1 ZINC000187923570 323083839 /nfs/dbraw/zinc/08/38/39/323083839.db2.gz VSALULNGIVFOFH-NEPJUHHUSA-N 1 3 246.420 0.984 20 0 BCADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)CSC)C1 ZINC000187923570 323083840 /nfs/dbraw/zinc/08/38/40/323083840.db2.gz VSALULNGIVFOFH-NEPJUHHUSA-N 1 3 246.420 0.984 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000155692444 345096842 /nfs/dbraw/zinc/09/68/42/345096842.db2.gz RGZVHDIDRCORHI-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000155692444 345096844 /nfs/dbraw/zinc/09/68/44/345096844.db2.gz RGZVHDIDRCORHI-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CN(CC12CC(C1)C[NH2+]2)[C@H]1CCN(C2CC2)C1 ZINC000634992618 345181127 /nfs/dbraw/zinc/18/11/27/345181127.db2.gz VZPNPWBFDWHMSJ-QRMWWUJWSA-N 1 3 235.375 0.907 20 0 BCADHO CC(C)[C@H](C[NH3+])CN1CCNC[C@](C)(F)C1 ZINC000634994642 345182370 /nfs/dbraw/zinc/18/23/70/345182370.db2.gz JNDJIRRPBIIAGG-NEPJUHHUSA-N 1 3 231.359 0.851 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156377101 345150709 /nfs/dbraw/zinc/15/07/09/345150709.db2.gz NELSQUQBGKDPMQ-GRYCIOLGSA-N 1 3 230.352 0.456 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156377101 345150711 /nfs/dbraw/zinc/15/07/11/345150711.db2.gz NELSQUQBGKDPMQ-GRYCIOLGSA-N 1 3 230.352 0.456 20 0 BCADHO N[C@@H]1CN(CC23CC(C2)C[NH2+]3)CC[C@H]1F ZINC000634997829 345196505 /nfs/dbraw/zinc/19/65/05/345196505.db2.gz UHNDCPWCHOJNRT-WYNUPADASA-N 1 3 213.300 0.110 20 0 BCADHO OCCNC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000635002811 345204790 /nfs/dbraw/zinc/20/47/90/345204790.db2.gz YZRCVWHFMCLLBK-LLVKDONJSA-N 1 3 244.404 0.786 20 0 BCADHO CCC[C@H](CCO)[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000635004258 345207694 /nfs/dbraw/zinc/20/76/94/345207694.db2.gz NUMMRYONIFJZEE-FVCCEPFGSA-N 1 3 244.379 0.879 20 0 BCADHO C[C@@H](CC(N)=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000635012120 345214693 /nfs/dbraw/zinc/21/46/93/345214693.db2.gz QVQWLVFADUFIDY-VHSXEESVSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[NH+]1CCC(N[C@@H](C)CC(N)=O)CC1 ZINC000135807992 345458937 /nfs/dbraw/zinc/45/89/37/345458937.db2.gz SRHBTZDBOSPAGP-JTQLQIEISA-N 1 3 227.352 0.713 20 0 BCADHO COC[C@H](O)CNC[C@@H](C)C[NH+]1CCCC1 ZINC000068892054 349931010 /nfs/dbraw/zinc/93/10/10/349931010.db2.gz KFJDNFDPOSHHLI-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@@H](C)CN1CCCC1 ZINC000068892054 349931011 /nfs/dbraw/zinc/93/10/11/349931011.db2.gz KFJDNFDPOSHHLI-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000563116086 323093490 /nfs/dbraw/zinc/09/34/90/323093490.db2.gz XWNNCOMKAFJHEN-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+]CCCN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000212153087 345725210 /nfs/dbraw/zinc/72/52/10/345725210.db2.gz CKVUTCWIOHESMQ-GFCCVEGCSA-N 1 3 239.363 0.670 20 0 BCADHO CN(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635641031 345914358 /nfs/dbraw/zinc/91/43/58/345914358.db2.gz OSNRAJWZXKJCBO-NSHDSACASA-N 1 3 227.352 0.348 20 0 BCADHO CN(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635641031 345914361 /nfs/dbraw/zinc/91/43/61/345914361.db2.gz OSNRAJWZXKJCBO-NSHDSACASA-N 1 3 227.352 0.348 20 0 BCADHO CN(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635641030 345914368 /nfs/dbraw/zinc/91/43/68/345914368.db2.gz OSNRAJWZXKJCBO-LLVKDONJSA-N 1 3 227.352 0.348 20 0 BCADHO CN(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635641030 345914371 /nfs/dbraw/zinc/91/43/71/345914371.db2.gz OSNRAJWZXKJCBO-LLVKDONJSA-N 1 3 227.352 0.348 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000563171324 323099829 /nfs/dbraw/zinc/09/98/29/323099829.db2.gz WEPVDXQCFIUGJN-YIZRAAEISA-N 1 3 213.325 0.369 20 0 BCADHO CNCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183281552 345937269 /nfs/dbraw/zinc/93/72/69/345937269.db2.gz RIESTXHLABDRIA-UHFFFAOYSA-N 1 3 223.276 0.182 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000145651700 345939933 /nfs/dbraw/zinc/93/99/33/345939933.db2.gz VLBOBERPGVAPHP-SECBINFHSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000380014375 365806547 /nfs/dbraw/zinc/80/65/47/365806547.db2.gz MRPYXFSRPUUUCW-HTQZYQBOSA-N 1 3 201.314 0.213 20 0 BCADHO CCN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000636028899 346164968 /nfs/dbraw/zinc/16/49/68/346164968.db2.gz GZJGMIFGCRCWCE-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000636028899 346164970 /nfs/dbraw/zinc/16/49/70/346164970.db2.gz GZJGMIFGCRCWCE-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000636034047 346170621 /nfs/dbraw/zinc/17/06/21/346170621.db2.gz GDCLKEDGJNNFJH-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000636034047 346170622 /nfs/dbraw/zinc/17/06/22/346170622.db2.gz GDCLKEDGJNNFJH-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCC[NH2+]C ZINC000121566894 349945434 /nfs/dbraw/zinc/94/54/34/349945434.db2.gz JDEVCILUNZKCID-BDAKNGLRSA-N 1 3 201.314 0.086 20 0 BCADHO CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000673877227 488310936 /nfs/dbraw/zinc/31/09/36/488310936.db2.gz ZCTNPVSIYBPZOH-LLVKDONJSA-N 1 3 242.367 0.284 20 0 BCADHO CC[C@H](C(N)=O)N1CCC[C@H](CC[NH3+])C1 ZINC000069626522 349951209 /nfs/dbraw/zinc/95/12/09/349951209.db2.gz QIDNCFGJJNAGML-NXEZZACHSA-N 1 3 213.325 0.311 20 0 BCADHO C[C@@H](C(=O)N(C)C)N1CCC(CC[NH3+])CC1 ZINC000069729903 349953749 /nfs/dbraw/zinc/95/37/49/349953749.db2.gz LPGCQDQVUMFSGQ-JTQLQIEISA-N 1 3 227.352 0.524 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](C)NC ZINC000574926783 346415800 /nfs/dbraw/zinc/41/58/00/346415800.db2.gz MXXMTJLKEGDUGN-IUCAKERBSA-N 1 3 201.314 0.228 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000069840025 349962232 /nfs/dbraw/zinc/96/22/32/349962232.db2.gz KHXXMVWCDNFTLB-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000248942649 346461890 /nfs/dbraw/zinc/46/18/90/346461890.db2.gz AAWDSAKXXYMWMI-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CN(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000641801568 362756355 /nfs/dbraw/zinc/75/63/55/362756355.db2.gz SQUCWGUHBXBUGO-IJLUTSLNSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@H]1CN(CC[NH2+][C@@H]2C[C@@H](N)C2(C)C)CCO1 ZINC000641801568 362756363 /nfs/dbraw/zinc/75/63/63/362756363.db2.gz SQUCWGUHBXBUGO-IJLUTSLNSA-N 1 3 241.379 0.423 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000641801498 362756718 /nfs/dbraw/zinc/75/67/18/362756718.db2.gz RFNQMBRXROUQCU-IVZWLZJFSA-N 1 3 235.335 0.481 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CCc2ncnn21 ZINC000641801498 362756722 /nfs/dbraw/zinc/75/67/22/362756722.db2.gz RFNQMBRXROUQCU-IVZWLZJFSA-N 1 3 235.335 0.481 20 0 BCADHO CC1(C)[C@H](NCCOC2CCOCC2)C[C@@H]1[NH3+] ZINC000641801723 362756729 /nfs/dbraw/zinc/75/67/29/362756729.db2.gz UBCPUSCYFJOTHC-NWDGAFQWSA-N 1 3 242.363 0.897 20 0 BCADHO CC1(C)[C@H]([NH2+]CCOC2CCOCC2)C[C@@H]1N ZINC000641801723 362756731 /nfs/dbraw/zinc/75/67/31/362756731.db2.gz UBCPUSCYFJOTHC-NWDGAFQWSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H]2CNCCO2)[C@H]1C ZINC000641809548 362765650 /nfs/dbraw/zinc/76/56/50/362765650.db2.gz RGHYMLKHZGVVMR-XQHKEYJVSA-N 1 3 241.379 0.423 20 0 BCADHO COC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000300380121 346575030 /nfs/dbraw/zinc/57/50/30/346575030.db2.gz SZZBYTAVFYFIIW-VWYCJHECSA-N 1 3 216.325 0.507 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CC[C@@H](C)C1 ZINC000580201561 346658367 /nfs/dbraw/zinc/65/83/67/346658367.db2.gz UGDJQKGDOZSKGH-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N(CC)CC ZINC000580201526 346658411 /nfs/dbraw/zinc/65/84/11/346658411.db2.gz RNGJJBOMJXRWFV-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000300421205 346745317 /nfs/dbraw/zinc/74/53/17/346745317.db2.gz IZGICFNSEFDINJ-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N(C)C1CC1 ZINC000300422203 346746085 /nfs/dbraw/zinc/74/60/85/346746085.db2.gz WUVZITFKJYAFDA-NHCYSSNCSA-N 1 3 239.363 0.583 20 0 BCADHO CC(=O)NCCN(C)CCC1CC[NH2+]CC1 ZINC000308204746 346747492 /nfs/dbraw/zinc/74/74/92/346747492.db2.gz XTWJBVWKAAXHQO-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CC(C)[C@H]1CNCC[N@@H+]1CCc1cncn1C ZINC000641820011 362770806 /nfs/dbraw/zinc/77/08/06/362770806.db2.gz LDHCMBNNHPPXFU-CYBMUJFWSA-N 1 3 236.363 0.892 20 0 BCADHO CC(C)[C@H]1CNCC[N@H+]1CCc1cncn1C ZINC000641820011 362770811 /nfs/dbraw/zinc/77/08/11/362770811.db2.gz LDHCMBNNHPPXFU-CYBMUJFWSA-N 1 3 236.363 0.892 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000518766809 346793392 /nfs/dbraw/zinc/79/33/92/346793392.db2.gz URQKOGYUTMWHSP-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1CC[N@H+](CC(C)(C)N)C[C@@H]1CO ZINC000622003592 370654413 /nfs/dbraw/zinc/65/44/13/370654413.db2.gz BZPDBNPLRXYQQT-NXEZZACHSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]1CC[N@@H+](CC(C)(C)N)C[C@@H]1CO ZINC000622003592 370654420 /nfs/dbraw/zinc/65/44/20/370654420.db2.gz BZPDBNPLRXYQQT-NXEZZACHSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1CO ZINC000622004682 370656010 /nfs/dbraw/zinc/65/60/10/370656010.db2.gz SKDOXFHEYDHGGQ-AGIUHOORSA-N 1 3 226.364 0.936 20 0 BCADHO CCCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309757815 347156938 /nfs/dbraw/zinc/15/69/38/347156938.db2.gz IAPDXXASQYLHBW-NXEZZACHSA-N 1 3 215.341 0.603 20 0 BCADHO NC(C(=O)NCC[C@H]1CCC[NH2+]1)C(F)(F)F ZINC000353426894 187372945 /nfs/dbraw/zinc/37/29/45/187372945.db2.gz NLOAGVGMUNKCDF-RQJHMYQMSA-N 1 3 239.241 0.134 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC(F)F ZINC000310307302 347260666 /nfs/dbraw/zinc/26/06/66/347260666.db2.gz SAFWZIWLTPRPCN-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](N)CC(F)F ZINC000310307302 347260669 /nfs/dbraw/zinc/26/06/69/347260669.db2.gz SAFWZIWLTPRPCN-DTWKUNHWSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019425552 347323479 /nfs/dbraw/zinc/32/34/79/347323479.db2.gz YMXSPVBRYFATPH-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000019438565 347324096 /nfs/dbraw/zinc/32/40/96/347324096.db2.gz SFAPKWORBPQQGO-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000019438565 347324099 /nfs/dbraw/zinc/32/40/99/347324099.db2.gz SFAPKWORBPQQGO-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280816 347328680 /nfs/dbraw/zinc/32/86/80/347328680.db2.gz DCNSTDOTIQHMRO-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](CCCCO)[NH2+]CC1(O)CCN(C)CC1 ZINC000679339940 488341636 /nfs/dbraw/zinc/34/16/36/488341636.db2.gz GLLWSWVNPITPKB-LBPRGKRZSA-N 1 3 244.379 0.584 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000353958962 187374586 /nfs/dbraw/zinc/37/45/86/187374586.db2.gz IIUBATFTHUWFCN-LLVKDONJSA-N 1 3 229.368 0.783 20 0 BCADHO COCC(COC)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000388423779 347398210 /nfs/dbraw/zinc/39/82/10/347398210.db2.gz JBZXOIDINYPHSH-NXEZZACHSA-N 1 3 216.325 0.507 20 0 BCADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215824 365885228 /nfs/dbraw/zinc/88/52/28/365885228.db2.gz TYYUDSUDRRLUOP-MXWKQRLJSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1CN(C(=O)C[NH2+]CC2CC2)[C@@H](C)CN1 ZINC000356371368 187376875 /nfs/dbraw/zinc/37/68/75/187376875.db2.gz GPNXJZVILREXQI-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382950358 347506569 /nfs/dbraw/zinc/50/65/69/347506569.db2.gz LMHRIEBOGOWFKQ-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382950358 347506571 /nfs/dbraw/zinc/50/65/71/347506571.db2.gz LMHRIEBOGOWFKQ-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000382974016 347517615 /nfs/dbraw/zinc/51/76/15/347517615.db2.gz SACAVOJCOBFFEM-PWSUYJOCSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H](C)NC1CC1 ZINC000394885579 323152722 /nfs/dbraw/zinc/15/27/22/323152722.db2.gz PPJLKSIMKGTZOX-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO [NH3+]CCCCC(=O)NC1CCN(C2CC2)CC1 ZINC000070202137 349976452 /nfs/dbraw/zinc/97/64/52/349976452.db2.gz HJRZDFLAQROHNF-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@H](C)C1 ZINC000308534947 347820285 /nfs/dbraw/zinc/82/02/85/347820285.db2.gz RQCGDSOFFZCYPT-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@H](C)C1 ZINC000308534947 347820288 /nfs/dbraw/zinc/82/02/88/347820288.db2.gz RQCGDSOFFZCYPT-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232240 187385744 /nfs/dbraw/zinc/38/57/44/187385744.db2.gz RJCCOINWTYFPAV-GHMZBOCLSA-N 1 3 239.363 0.714 20 0 BCADHO COC(=O)CC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595508358 348265212 /nfs/dbraw/zinc/26/52/12/348265212.db2.gz WDZPDTYPXQCSAE-CYBMUJFWSA-N 1 3 240.347 0.967 20 0 BCADHO COC(=O)CC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595508358 348265214 /nfs/dbraw/zinc/26/52/14/348265214.db2.gz WDZPDTYPXQCSAE-CYBMUJFWSA-N 1 3 240.347 0.967 20 0 BCADHO CC(C)([NH3+])CN1CCC[C@@H]1CCCO ZINC000336655865 187393576 /nfs/dbraw/zinc/39/35/76/187393576.db2.gz ACGBEFVLMULKDP-SNVBAGLBSA-N 1 3 200.326 0.961 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595950318 348403593 /nfs/dbraw/zinc/40/35/93/348403593.db2.gz KQGFXGXKQQSIEI-ZJUUUORDSA-N 1 3 247.408 0.556 20 0 BCADHO CN[C@@H](C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000054071506 348873955 /nfs/dbraw/zinc/87/39/55/348873955.db2.gz PDFUUMMNVJSCNG-NSHDSACASA-N 1 3 229.368 0.829 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCc1ccccc1CN(C)C ZINC000054076405 348879472 /nfs/dbraw/zinc/87/94/72/348879472.db2.gz VKJSEXCCKAZNRE-NSHDSACASA-N 1 3 249.358 0.972 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 ZINC000616571882 349061074 /nfs/dbraw/zinc/06/10/74/349061074.db2.gz IRSUEBFAHCUGQL-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000308924244 349129303 /nfs/dbraw/zinc/12/93/03/349129303.db2.gz CVNYTZOBEZKMQO-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO COC(=O)CCCCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000599268756 349136309 /nfs/dbraw/zinc/13/63/09/349136309.db2.gz ICJABZQKJIJFLA-QWRGUYRKSA-N 1 3 226.320 0.481 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC[C@H](C)O)C1 ZINC000250507750 349174368 /nfs/dbraw/zinc/17/43/68/349174368.db2.gz AHRNZIAWHHVKHU-NWDGAFQWSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC[C@H](C)O)C1 ZINC000250507750 349174369 /nfs/dbraw/zinc/17/43/69/349174369.db2.gz AHRNZIAWHHVKHU-NWDGAFQWSA-N 1 3 214.353 0.935 20 0 BCADHO CC(C)CN1CC[C@H](C[NH2+]C[C@H](C)O)C1 ZINC000250507750 349174372 /nfs/dbraw/zinc/17/43/72/349174372.db2.gz AHRNZIAWHHVKHU-NWDGAFQWSA-N 1 3 214.353 0.935 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2)CCN1C ZINC000530222439 323218645 /nfs/dbraw/zinc/21/86/45/323218645.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2COCCN2)CC[N@@H+]1C ZINC000530222439 323218650 /nfs/dbraw/zinc/21/86/50/323218650.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 1 3 227.352 0.047 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@H]2COCCN2)CC[N@H+]1C ZINC000530222439 323218652 /nfs/dbraw/zinc/21/86/52/323218652.db2.gz NDXCEAYPBHDMNI-WOPDTQHZSA-N 1 3 227.352 0.047 20 0 BCADHO CC(C)CN1CCN(CC(C)(C)[NH3+])CC1 ZINC000055083624 349289601 /nfs/dbraw/zinc/28/96/01/349289601.db2.gz UZLMVWIZMPVOFW-UHFFFAOYSA-N 1 3 213.369 0.997 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C)N(CC)CC ZINC000662965692 490244279 /nfs/dbraw/zinc/24/42/79/490244279.db2.gz LSKLDLRORUXBFA-QWRGUYRKSA-N 1 3 229.368 0.831 20 0 BCADHO CN1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000070618712 350031824 /nfs/dbraw/zinc/03/18/24/350031824.db2.gz POXJELQFAFFRGP-LBPRGKRZSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)(CCO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000227950290 490273906 /nfs/dbraw/zinc/27/39/06/490273906.db2.gz MFBSRDHKAQFQKM-GFCCVEGCSA-N 1 3 244.379 0.441 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000603906959 350049308 /nfs/dbraw/zinc/04/93/08/350049308.db2.gz CXBNLFOOUBVIHR-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC000563106906 350062485 /nfs/dbraw/zinc/06/24/85/350062485.db2.gz UIWMTXXQXRCIDW-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000563106884 350062796 /nfs/dbraw/zinc/06/27/96/350062796.db2.gz QOKQSXADFZVKGR-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H](C)C[NH3+] ZINC000309151719 350107719 /nfs/dbraw/zinc/10/77/19/350107719.db2.gz WMDQATMUDUNCJI-SCZZXKLOSA-N 1 3 201.314 0.215 20 0 BCADHO C=Cn1cc(CNCCOCC[NH+](C)C)cn1 ZINC000219396629 350125368 /nfs/dbraw/zinc/12/53/68/350125368.db2.gz LRSPSNQJKCEJMK-UHFFFAOYSA-N 1 3 238.335 0.651 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219997396 350154643 /nfs/dbraw/zinc/15/46/43/350154643.db2.gz GMFQYOXQIFXQJW-MWLCHTKSSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219997396 350154647 /nfs/dbraw/zinc/15/46/47/350154647.db2.gz GMFQYOXQIFXQJW-MWLCHTKSSA-N 1 3 227.352 0.569 20 0 BCADHO NC1(C(=O)NC2CC[NH2+]CC2)CCCC1 ZINC000309589672 490358217 /nfs/dbraw/zinc/35/82/17/490358217.db2.gz YMUZORQNOXMFLH-UHFFFAOYSA-N 1 3 211.309 0.126 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000428441433 191072942 /nfs/dbraw/zinc/07/29/42/191072942.db2.gz VYKAOQSZUBUYSV-SDDRHHMPSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000230191414 490388149 /nfs/dbraw/zinc/38/81/49/490388149.db2.gz IIQVLAGHDAFYGW-OUAUKWLOSA-N 1 3 225.336 0.195 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000427604378 191083723 /nfs/dbraw/zinc/08/37/23/191083723.db2.gz PBJYPOAVNGOWLW-GARJFASQSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[NH2+]C1)N(CC)CC ZINC000428207156 191092134 /nfs/dbraw/zinc/09/21/34/191092134.db2.gz UTVUPKFVPSRNTB-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H](O)COC)[C@@H](C)C1 ZINC000223730935 350285386 /nfs/dbraw/zinc/28/53/86/350285386.db2.gz MFRHOGXEXLBVKN-TUAOUCFPSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H](O)COC)[C@@H](C)C1 ZINC000223730935 350285388 /nfs/dbraw/zinc/28/53/88/350285388.db2.gz MFRHOGXEXLBVKN-TUAOUCFPSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H](CNC(=O)CN)C[NH+]1CCCCC1 ZINC000038042222 350302613 /nfs/dbraw/zinc/30/26/13/350302613.db2.gz SOFCBKDJPVLFIU-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000309392269 350366549 /nfs/dbraw/zinc/36/65/49/350366549.db2.gz GBFRWWVPSGYLKZ-KOLCDFICSA-N 1 3 213.325 0.230 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CC(F)F ZINC000309413146 350376444 /nfs/dbraw/zinc/37/64/44/350376444.db2.gz IXCLIUPNADFTPV-RNFRBKRXSA-N 1 3 223.267 0.083 20 0 BCADHO CCN1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000069839641 350413415 /nfs/dbraw/zinc/41/34/15/350413415.db2.gz RQRPCJIJIUVPQI-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@H](C)N(C)C ZINC000069839632 350413581 /nfs/dbraw/zinc/41/35/81/350413581.db2.gz FVVCLOQAAGLVKV-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H]1NCCN(C(=O)NCC[NH2+]C2CC2)[C@@H]1C ZINC000637339552 350464599 /nfs/dbraw/zinc/46/45/99/350464599.db2.gz JMKKFIQEVWJAJJ-NXEZZACHSA-N 1 3 240.351 0.130 20 0 BCADHO COCC[C@H](COC)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000309346271 323344956 /nfs/dbraw/zinc/34/49/56/323344956.db2.gz MGWHAXDDANLPHV-SDDRHHMPSA-N 1 3 230.352 0.897 20 0 BCADHO C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)[C@@H](C)CN1 ZINC000637340010 350465824 /nfs/dbraw/zinc/46/58/24/350465824.db2.gz NMPDGDKOMBCEHI-ZJUUUORDSA-N 1 3 240.351 0.130 20 0 BCADHO Cc1nn(C)cc1CN1CCC(C[NH3+])CC1 ZINC000020315714 180372234 /nfs/dbraw/zinc/37/22/34/180372234.db2.gz BIOPZQXAQOTBEE-UHFFFAOYSA-N 1 3 222.336 0.899 20 0 BCADHO CCC[NH+]1CCC(NC[C@H](O)COC)CC1 ZINC000070558912 350537953 /nfs/dbraw/zinc/53/79/53/350537953.db2.gz REOKDOMBTXZANJ-LBPRGKRZSA-N 1 3 230.352 0.458 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@]1(F)CCNC1 ZINC000163561895 350526227 /nfs/dbraw/zinc/52/62/27/350526227.db2.gz SSJYOSWTJZRVBR-NSHDSACASA-N 1 3 231.315 0.144 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)[C@H](C)O1 ZINC000384961217 350677788 /nfs/dbraw/zinc/67/77/88/350677788.db2.gz SEGPEPQCIZIWOF-WOPDTQHZSA-N 1 3 230.352 0.720 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@]2(CCC[C@H]2[NH3+])C1 ZINC000365093499 191131069 /nfs/dbraw/zinc/13/10/69/191131069.db2.gz LCXLZRMRPZXILZ-NTZNESFSSA-N 1 3 239.363 0.700 20 0 BCADHO CCN1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000079518693 351071257 /nfs/dbraw/zinc/07/12/57/351071257.db2.gz WCWYTLSXFBDRLY-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO [NH3+]CCN1CCNC[C@H]1c1ccccc1F ZINC000616636098 351124033 /nfs/dbraw/zinc/12/40/33/351124033.db2.gz RFAFEOOMRUBJKI-LBPRGKRZSA-N 1 3 223.295 0.731 20 0 BCADHO CC1(C)CCCN1CCNC1=[NH+]CCCN1 ZINC000414360336 351162080 /nfs/dbraw/zinc/16/20/80/351162080.db2.gz NCQJKZLPHVBQGB-UHFFFAOYSA-N 1 3 224.352 0.800 20 0 BCADHO COCC[C@H](C)[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000380187374 351380998 /nfs/dbraw/zinc/38/09/98/351380998.db2.gz PLSPYENFXPVFQE-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO COCC[C@H](C)[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000380187374 351381001 /nfs/dbraw/zinc/38/10/01/351381001.db2.gz PLSPYENFXPVFQE-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000572157271 323553859 /nfs/dbraw/zinc/55/38/59/323553859.db2.gz LSAKFAQYUPCAPF-XHNCKOQMSA-N 1 3 231.365 0.015 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)CCC(C)C)C1 ZINC000637802734 351635711 /nfs/dbraw/zinc/63/57/11/351635711.db2.gz UBCPXUBNRWEICV-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CCN[C@H](C)C(=O)NCCC[NH2+]CC ZINC000637809012 351645238 /nfs/dbraw/zinc/64/52/38/351645238.db2.gz JCHOBQFURIGFJX-SECBINFHSA-N 1 3 201.314 0.100 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](N)CCC(C)C ZINC000637809365 351646358 /nfs/dbraw/zinc/64/63/58/351646358.db2.gz VYIBCSXRPVJJNH-NSHDSACASA-N 1 3 229.368 0.866 20 0 BCADHO CC[C@@H](C(=O)N(C)C1CC[NH2+]CC1)N(C)C ZINC000637809424 351646364 /nfs/dbraw/zinc/64/63/64/351646364.db2.gz QFTLVKMOHWPWCW-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO CCN[C@H](C)C(=O)NC1CCC([NH3+])CC1 ZINC000637818071 351658367 /nfs/dbraw/zinc/65/83/67/351658367.db2.gz AGGXNSPHIOHVKG-XNWIYYODSA-N 1 3 213.325 0.371 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000637820469 351660492 /nfs/dbraw/zinc/66/04/92/351660492.db2.gz OERKTNADVBWJLP-AXFHLTTASA-N 1 3 227.352 0.489 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000637832119 351681096 /nfs/dbraw/zinc/68/10/96/351681096.db2.gz HSSNTJYDTHIWPF-PWSUYJOCSA-N 1 3 235.331 0.801 20 0 BCADHO CCN[C@@H](C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834599 351688825 /nfs/dbraw/zinc/68/88/25/351688825.db2.gz YICNFYWZAJZFGV-UWVGGRQHSA-N 1 3 213.325 0.100 20 0 BCADHO N[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637834424 351689075 /nfs/dbraw/zinc/68/90/75/351689075.db2.gz ZAQDMUQMICNMDY-OLZOCXBDSA-N 1 3 245.326 0.850 20 0 BCADHO CC(C)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000637838631 351693661 /nfs/dbraw/zinc/69/36/61/351693661.db2.gz ACCWZECUGFIBTN-GRYCIOLGSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N(C)C ZINC000637839889 351694556 /nfs/dbraw/zinc/69/45/56/351694556.db2.gz CHVVDDAPVQUTCD-PWSUYJOCSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000637850746 351708078 /nfs/dbraw/zinc/70/80/78/351708078.db2.gz CAOWZOSJFCGXCJ-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000637843845 351703153 /nfs/dbraw/zinc/70/31/53/351703153.db2.gz ZKJLHPNAKAFGJQ-AAEUAGOBSA-N 1 3 241.379 0.994 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000637846071 351704740 /nfs/dbraw/zinc/70/47/40/351704740.db2.gz URKTZWSUTCERAJ-UTUOFQBUSA-N 1 3 241.379 0.946 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH3+] ZINC000637824257 351663658 /nfs/dbraw/zinc/66/36/58/351663658.db2.gz MCNKYNUISXRMLL-ZETCQYMHSA-N 1 3 210.281 0.114 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)CCC(C)C ZINC000637826645 351673993 /nfs/dbraw/zinc/67/39/93/351673993.db2.gz VTTVAEQNKXYMHM-JTQLQIEISA-N 1 3 215.341 0.476 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000637828232 351675097 /nfs/dbraw/zinc/67/50/97/351675097.db2.gz XUZZKQILUIRWSW-LLVKDONJSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000637827251 351675849 /nfs/dbraw/zinc/67/58/49/351675849.db2.gz OILSMQLDMDMKFD-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C(=O)N1CC[NH2+]CC1(C)C)N(C)C ZINC000637857580 351717605 /nfs/dbraw/zinc/71/76/05/351717605.db2.gz RDINWEXEBCKKHZ-SNVBAGLBSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000637854134 351713147 /nfs/dbraw/zinc/71/31/47/351713147.db2.gz DKOBTHMEOADOKD-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000626986978 363088859 /nfs/dbraw/zinc/08/88/59/363088859.db2.gz SVMCTMARFMMRSZ-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CCN(CC[NH3+])C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000626986980 363089164 /nfs/dbraw/zinc/08/91/64/363089164.db2.gz SVMCTMARFMMRSZ-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO CCN1CCC(NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638051642 351928866 /nfs/dbraw/zinc/92/88/66/351928866.db2.gz NMBAFPKSPBBQLP-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CCN1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638052105 351929461 /nfs/dbraw/zinc/92/94/61/351929461.db2.gz XCSPCNHMAFAVSP-LLVKDONJSA-N 1 3 237.347 0.634 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000638057417 351933549 /nfs/dbraw/zinc/93/35/49/351933549.db2.gz VQJOYLJUIQKQMA-JTQLQIEISA-N 1 3 239.363 0.727 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638076331 351949039 /nfs/dbraw/zinc/94/90/39/351949039.db2.gz KKWDNYZVQARALJ-GHMZBOCLSA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000638070704 351942642 /nfs/dbraw/zinc/94/26/42/351942642.db2.gz VFGURGLCWAHFQP-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638072544 351944766 /nfs/dbraw/zinc/94/47/66/351944766.db2.gz NXAWVUQVRHMDDN-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638072544 351944767 /nfs/dbraw/zinc/94/47/67/351944767.db2.gz NXAWVUQVRHMDDN-GRYCIOLGSA-N 1 3 239.363 0.727 20 0 BCADHO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000638081999 351955565 /nfs/dbraw/zinc/95/55/65/351955565.db2.gz RPUDUBBZLCHYJQ-GHMZBOCLSA-N 1 3 235.331 0.387 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC1C[NH2+]C1 ZINC000638150418 352011047 /nfs/dbraw/zinc/01/10/47/352011047.db2.gz NNRHDDNDDNWVLK-SNVBAGLBSA-N 1 3 213.325 0.086 20 0 BCADHO C[C@H]([NH3+])CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000638091206 351967565 /nfs/dbraw/zinc/96/75/65/351967565.db2.gz RIGWEIMDDGAJRX-VIFPVBQESA-N 1 3 239.323 0.121 20 0 BCADHO CCN(CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638096587 351977274 /nfs/dbraw/zinc/97/72/74/351977274.db2.gz JZBATHXDWVILRC-NSHDSACASA-N 1 3 237.347 0.634 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000638100250 351980381 /nfs/dbraw/zinc/98/03/81/351980381.db2.gz LNQBVLCPCHTVNF-JQWIXIFHSA-N 1 3 239.363 0.680 20 0 BCADHO CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000638102214 351982283 /nfs/dbraw/zinc/98/22/83/351982283.db2.gz UCQOPOZCGBAZCS-AAEUAGOBSA-N 1 3 249.358 0.729 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000638121797 351995632 /nfs/dbraw/zinc/99/56/32/351995632.db2.gz HJVZTXXRUORSFD-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000638136335 352002916 /nfs/dbraw/zinc/00/29/16/352002916.db2.gz YDEJZEDFWCVKEW-HBNTYKKESA-N 1 3 239.363 0.726 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000638136334 352002935 /nfs/dbraw/zinc/00/29/35/352002935.db2.gz YDEJZEDFWCVKEW-GMTAPVOTSA-N 1 3 239.363 0.726 20 0 BCADHO CCN[C@H](C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638138571 352003880 /nfs/dbraw/zinc/00/38/80/352003880.db2.gz HUXUXCNNQQKIIQ-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000638194856 352057063 /nfs/dbraw/zinc/05/70/63/352057063.db2.gz JZINNDFBCQYJRL-SNVBAGLBSA-N 1 3 247.342 0.904 20 0 BCADHO C[C@@H]1NCCN(C(=O)CCC2C[NH2+]C2)[C@H]1C ZINC000638203811 352065276 /nfs/dbraw/zinc/06/52/76/352065276.db2.gz HRSBGZBZQYLBGS-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000638201942 352066321 /nfs/dbraw/zinc/06/63/21/352066321.db2.gz NOLLYNXXVTXHSW-BBBLOLIVSA-N 1 3 213.325 0.099 20 0 BCADHO CN(CC(=O)NCC1C[NH2+]C1)CC(C)(C)C ZINC000638153310 352017701 /nfs/dbraw/zinc/01/77/01/352017701.db2.gz NIKXFKQXLZUHQK-UHFFFAOYSA-N 1 3 227.352 0.300 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CCC1C[NH2+]C1 ZINC000638157109 352021549 /nfs/dbraw/zinc/02/15/49/352021549.db2.gz BVKHOTHIQPVEPL-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000638160209 352024477 /nfs/dbraw/zinc/02/44/77/352024477.db2.gz HPCCENDLZVJUFV-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000638173013 352040246 /nfs/dbraw/zinc/04/02/46/352040246.db2.gz ZAFOGMWEFPVFFC-JQWIXIFHSA-N 1 3 225.336 0.196 20 0 BCADHO C[NH+](C)CCCNCC(C)(C)N1CCOCC1 ZINC000638289264 352125149 /nfs/dbraw/zinc/12/51/49/352125149.db2.gz GVISYNBOBJBXKQ-UHFFFAOYSA-N 1 3 243.395 0.639 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CCC1C[NH2+]C1 ZINC000638303644 352133115 /nfs/dbraw/zinc/13/31/15/352133115.db2.gz HCRXSCBSYLWOMW-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C)N(C)C ZINC000638222085 352081459 /nfs/dbraw/zinc/08/14/59/352081459.db2.gz ITIRYPNKBHXBCI-DCAQKATOSA-N 1 3 245.342 0.485 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000638248950 352094645 /nfs/dbraw/zinc/09/46/45/352094645.db2.gz WGCAICKFXLAEPV-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249903 352095401 /nfs/dbraw/zinc/09/54/01/352095401.db2.gz ZQYANABKRYXKJL-SDDRHHMPSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000638256535 352099373 /nfs/dbraw/zinc/09/93/73/352099373.db2.gz PZMSSSBKHUNLFQ-GUBZILKMSA-N 1 3 215.341 0.602 20 0 BCADHO CC[C@@H](C(=O)NC(C)(C)CCC[NH3+])N(C)C ZINC000638251779 352099494 /nfs/dbraw/zinc/09/94/94/352099494.db2.gz QFFXJXAULYSIJW-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000638257754 352101199 /nfs/dbraw/zinc/10/11/99/352101199.db2.gz WHYOJIFZPZKPAP-RQJHMYQMSA-N 1 3 210.281 0.113 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000638257726 352101227 /nfs/dbraw/zinc/10/12/27/352101227.db2.gz VXGCRAXGBMYKMP-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)Cc1nc[nH]c1C ZINC000638260254 352104538 /nfs/dbraw/zinc/10/45/38/352104538.db2.gz XKELTUVPUYPVRX-QMMMGPOBSA-N 1 3 210.281 0.114 20 0 BCADHO CC[C@H](C(=O)N(C)C1(C[NH3+])CCC1)N(C)C ZINC000638262568 352104970 /nfs/dbraw/zinc/10/49/70/352104970.db2.gz ORDGJKHHLCRMQM-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000638265515 352105854 /nfs/dbraw/zinc/10/58/54/352105854.db2.gz DEMIPLZMMVFPJC-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000638266656 352106281 /nfs/dbraw/zinc/10/62/81/352106281.db2.gz CYICSTONCBYGTH-SRVKXCTJSA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1(C)C)N(C)C ZINC000638268278 352107997 /nfs/dbraw/zinc/10/79/97/352107997.db2.gz XRHPVUHNPZKFGN-NXEZZACHSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000638271653 352109531 /nfs/dbraw/zinc/10/95/31/352109531.db2.gz YMXZTLSUSRZINO-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)CCN1 ZINC000638271565 352109592 /nfs/dbraw/zinc/10/95/92/352109592.db2.gz XNMGPRWSDPAYOH-SNVBAGLBSA-N 1 3 223.320 0.244 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000638276864 352113720 /nfs/dbraw/zinc/11/37/20/352113720.db2.gz QDNKSIPUGPXSCW-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)CC[NH3+] ZINC000638343363 352162294 /nfs/dbraw/zinc/16/22/94/352162294.db2.gz MEFXYRUNPSRJLR-VIFPVBQESA-N 1 3 201.314 0.167 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000638365411 352175959 /nfs/dbraw/zinc/17/59/59/352175959.db2.gz ZWQDLHHETOSIGG-MXWKQRLJSA-N 1 3 227.352 0.713 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370037 352180800 /nfs/dbraw/zinc/18/08/00/352180800.db2.gz WGDKODIYSLSNFG-MNOVXSKESA-N 1 3 239.363 0.775 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370038 352180879 /nfs/dbraw/zinc/18/08/79/352180879.db2.gz WGDKODIYSLSNFG-QWRGUYRKSA-N 1 3 239.363 0.775 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000638386624 352195282 /nfs/dbraw/zinc/19/52/82/352195282.db2.gz RRITXULYXAJMTD-LLVKDONJSA-N 1 3 241.379 0.995 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000638426804 352234743 /nfs/dbraw/zinc/23/47/43/352234743.db2.gz GRFWCIHTHSHLGR-QWKFWESOSA-N 1 3 239.363 0.618 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H](C)[NH2+]CC)C1 ZINC000638427591 352235465 /nfs/dbraw/zinc/23/54/65/352235465.db2.gz VGSDCFWXAFUCED-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638427222 352235765 /nfs/dbraw/zinc/23/57/65/352235765.db2.gz VFAOPWCUUMJHBZ-RYUDHWBXSA-N 1 3 237.347 0.634 20 0 BCADHO CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638431844 352240031 /nfs/dbraw/zinc/24/00/31/352240031.db2.gz VJYAJMBOTPTFJU-OUAUKWLOSA-N 1 3 245.342 0.648 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402861 352208830 /nfs/dbraw/zinc/20/88/30/352208830.db2.gz UZHGYQVZDNYPFD-SNVBAGLBSA-N 1 3 229.368 0.946 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC1([NH3+])CCCC1 ZINC000638408482 352215688 /nfs/dbraw/zinc/21/56/88/352215688.db2.gz BYBYSHJCACEQDD-UHFFFAOYSA-N 1 3 236.319 0.648 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638437771 352245239 /nfs/dbraw/zinc/24/52/39/352245239.db2.gz UVRVECMYPOEZDT-PWSUYJOCSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N(C)C ZINC000638435598 352245747 /nfs/dbraw/zinc/24/57/47/352245747.db2.gz DBLAERITDABZOQ-KOLCDFICSA-N 1 3 213.325 0.195 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000638435572 352245984 /nfs/dbraw/zinc/24/59/84/352245984.db2.gz CZEYVEXXSRNUCP-LLVKDONJSA-N 1 3 222.292 0.129 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)N(C)C ZINC000627052812 363171823 /nfs/dbraw/zinc/17/18/23/363171823.db2.gz SWDIGWHNQDHYDZ-GARJFASQSA-N 1 3 242.367 0.376 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000627052814 363171835 /nfs/dbraw/zinc/17/18/35/363171835.db2.gz SWDIGWHNQDHYDZ-VWYCJHECSA-N 1 3 242.367 0.376 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638497210 352315883 /nfs/dbraw/zinc/31/58/83/352315883.db2.gz DVMVLQOTEXSNFM-NXEZZACHSA-N 1 3 225.336 0.371 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCCCN1 ZINC000638498159 352318322 /nfs/dbraw/zinc/31/83/22/352318322.db2.gz JXRZOPZMHBRWPL-WDEREUQCSA-N 1 3 237.347 0.529 20 0 BCADHO CC[C@H](C(=O)N1CCNC[C@H]1C(C)C)[NH+](C)C ZINC000638491410 352301915 /nfs/dbraw/zinc/30/19/15/352301915.db2.gz IDYOOALJGJLUJD-NEPJUHHUSA-N 1 3 241.379 0.783 20 0 BCADHO CCN(CC[NH3+])C(=O)C1(N)CC2(CCC2)C1 ZINC000638513640 352339211 /nfs/dbraw/zinc/33/92/11/352339211.db2.gz UHUDIMFNVQLEIE-UHFFFAOYSA-N 1 3 225.336 0.455 20 0 BCADHO CCN(CC[NH3+])C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000638517801 352349145 /nfs/dbraw/zinc/34/91/45/352349145.db2.gz CQTTWQWMLDIPHN-PHIMTYICSA-N 1 3 227.352 0.666 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638528751 352361807 /nfs/dbraw/zinc/36/18/07/352361807.db2.gz RBJLPBKSBUXXMJ-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000638528823 352362202 /nfs/dbraw/zinc/36/22/02/352362202.db2.gz TWKJCGDIAOIBMA-IVZWLZJFSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000638528824 352362347 /nfs/dbraw/zinc/36/23/47/352362347.db2.gz TWKJCGDIAOIBMA-OPRDCNLKSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)C(C)C ZINC000638566605 352393336 /nfs/dbraw/zinc/39/33/36/352393336.db2.gz AKLNWMMJMQUUGB-IVZWLZJFSA-N 1 3 213.325 0.226 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000638572611 352401036 /nfs/dbraw/zinc/40/10/36/352401036.db2.gz RAUCCHIZMAUNTG-BIIVOSGPSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@@H](O)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000411738740 191208517 /nfs/dbraw/zinc/20/85/17/191208517.db2.gz UUELLYVRGMYQEH-CYBMUJFWSA-N 1 3 245.411 0.573 20 0 BCADHO C[C@@H](O)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000411738740 191208519 /nfs/dbraw/zinc/20/85/19/191208519.db2.gz UUELLYVRGMYQEH-CYBMUJFWSA-N 1 3 245.411 0.573 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)C(N)C(F)(F)F)C[NH2+]1 ZINC000638642363 352484152 /nfs/dbraw/zinc/48/41/52/352484152.db2.gz IXOXKVPVUHTZMW-QYNIQEEDSA-N 1 3 239.241 0.133 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638643552 352486364 /nfs/dbraw/zinc/48/63/64/352486364.db2.gz LSURCFHPPUJRCL-IVZWLZJFSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2)C[NH2+]1 ZINC000638653765 352494455 /nfs/dbraw/zinc/49/44/55/352494455.db2.gz HBRNITLEMYCTBK-GARJFASQSA-N 1 3 225.336 0.385 20 0 BCADHO CN1CCC(O)(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000638682089 352519788 /nfs/dbraw/zinc/51/97/88/352519788.db2.gz QBQODTFUGKQTCO-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1C)[C@H](C)[NH3+] ZINC000638727588 352586112 /nfs/dbraw/zinc/58/61/12/352586112.db2.gz KCBGKNDBRBCNHM-SDDRHHMPSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN1C)[C@@H](C)[NH3+] ZINC000638727587 352586165 /nfs/dbraw/zinc/58/61/65/352586165.db2.gz KCBGKNDBRBCNHM-GRYCIOLGSA-N 1 3 241.379 0.816 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638730072 352592407 /nfs/dbraw/zinc/59/24/07/352592407.db2.gz RELDJENSIIENGC-LOWVWBTDSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](N)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803268 352604614 /nfs/dbraw/zinc/60/46/14/352604614.db2.gz LYSUNHIONMLRRB-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638727251 352585478 /nfs/dbraw/zinc/58/54/78/352585478.db2.gz DXIYGLWZSOITDZ-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)CNC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514370 352653711 /nfs/dbraw/zinc/65/37/11/352653711.db2.gz BQGVDJRSSJAWLA-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000044751162 352655460 /nfs/dbraw/zinc/65/54/60/352655460.db2.gz LJSJUQXBVXOQOQ-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CN(CC(=O)NC1CC1)CC1CC[NH2+]CC1 ZINC000043497724 352637144 /nfs/dbraw/zinc/63/71/44/352637144.db2.gz BOCXZFZVJZDUNX-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000638766391 352703436 /nfs/dbraw/zinc/70/34/36/352703436.db2.gz VLBWHGIHACRAMY-YTWAJWBKSA-N 1 3 225.336 0.241 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638772978 352713705 /nfs/dbraw/zinc/71/37/05/352713705.db2.gz CVGAFOJMWSIXIF-IVZWLZJFSA-N 1 3 213.325 0.226 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000638772692 352714756 /nfs/dbraw/zinc/71/47/56/352714756.db2.gz DIEFLOOSQWXOET-TVQRCGJNSA-N 1 3 245.326 0.770 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)c1cccc2c1CNC2 ZINC000638792635 352754489 /nfs/dbraw/zinc/75/44/89/352754489.db2.gz PPCRJEJIIWOLAR-SNVBAGLBSA-N 1 3 231.299 0.382 20 0 BCADHO NCc1ccc2c(c1)N(C(=O)CC[NH3+])CCO2 ZINC000638803118 352975834 /nfs/dbraw/zinc/97/58/34/352975834.db2.gz FOIAQTXFENQMRG-UHFFFAOYSA-N 1 3 235.287 0.220 20 0 BCADHO C[NH2+]CCC(=O)N1CCOc2ccc(CN)cc21 ZINC000638805028 352979216 /nfs/dbraw/zinc/97/92/16/352979216.db2.gz HPJZYUWMRZQKRN-UHFFFAOYSA-N 1 3 249.314 0.480 20 0 BCADHO CN[C@@H](C)C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638808102 352985072 /nfs/dbraw/zinc/98/50/72/352985072.db2.gz RXDGTLNZLRPAJL-VIFPVBQESA-N 1 3 249.314 0.479 20 0 BCADHO CNCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000334328549 352964822 /nfs/dbraw/zinc/96/48/22/352964822.db2.gz NAEIBLRNYZFOFR-NWDGAFQWSA-N 1 3 233.315 0.159 20 0 BCADHO NC1(C(=O)N2CCCCC[C@H]([NH3+])C2)CCC1 ZINC000638841287 353017759 /nfs/dbraw/zinc/01/77/59/353017759.db2.gz USQVPUPJSBDLSN-JTQLQIEISA-N 1 3 225.336 0.598 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638819291 352999335 /nfs/dbraw/zinc/99/93/35/352999335.db2.gz ISQNIKNUDMMQIV-GHMZBOCLSA-N 1 3 227.352 0.700 20 0 BCADHO [NH3+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000638823017 353004319 /nfs/dbraw/zinc/00/43/19/353004319.db2.gz OGALVBWIIKQNNF-NEPJUHHUSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CCN2)C[C@H]1C[NH3+] ZINC000638900938 353062943 /nfs/dbraw/zinc/06/29/43/353062943.db2.gz IPLCDZAWEHSZGH-KKOKHZNYSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[C@H]1CSCCN1 ZINC000638937290 353110451 /nfs/dbraw/zinc/11/04/51/353110451.db2.gz SUZAGSRDIHHYNL-BBBLOLIVSA-N 1 3 243.376 0.030 20 0 BCADHO NC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC000638918252 353082525 /nfs/dbraw/zinc/08/25/25/353082525.db2.gz NRVOLECQPQMHHM-AOOOYVTPSA-N 1 3 223.320 0.221 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919162 353083617 /nfs/dbraw/zinc/08/36/17/353083617.db2.gz JTPKPDJSSSLLCH-JFGNBEQYSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638933636 353096091 /nfs/dbraw/zinc/09/60/91/353096091.db2.gz YUGCUELIGAJDAH-AXFHLTTASA-N 1 3 227.352 0.698 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638933639 353096101 /nfs/dbraw/zinc/09/61/01/353096101.db2.gz YUGCUELIGAJDAH-DCAQKATOSA-N 1 3 227.352 0.698 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N(C)C ZINC000638933758 353096239 /nfs/dbraw/zinc/09/62/39/353096239.db2.gz ZQFHKOCVZAQVAM-KXUCPTDWSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H]1CNCCC1(F)F ZINC000638934039 353096608 /nfs/dbraw/zinc/09/66/08/353096608.db2.gz FGABFJBEXXNFON-HLTSFMKQSA-N 1 3 247.289 0.179 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638934487 353098208 /nfs/dbraw/zinc/09/82/08/353098208.db2.gz IKKFLOAIISIXFJ-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000019474252 188058869 /nfs/dbraw/zinc/05/88/69/188058869.db2.gz JIYVUENINBJGSG-JTQLQIEISA-N 1 3 229.368 0.674 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1CCC1 ZINC000638950790 353153893 /nfs/dbraw/zinc/15/38/93/353153893.db2.gz SXTGZPSODGCUSX-YUSALJHKSA-N 1 3 239.363 0.748 20 0 BCADHO NC1(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCC1 ZINC000638967978 353175840 /nfs/dbraw/zinc/17/58/40/353175840.db2.gz MUZZLMXRHYMFRJ-MGCOHNPYSA-N 1 3 225.336 0.502 20 0 BCADHO CCC1([NH+](C)C)CCN(C(=O)CNC)CC1 ZINC000638976025 353181869 /nfs/dbraw/zinc/18/18/69/353181869.db2.gz SKTBERPADYQFJP-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC(C)N(CC(N)=O)CC1CC[NH2+]CC1 ZINC000043497710 188151642 /nfs/dbraw/zinc/15/16/42/188151642.db2.gz SGCPMBBSDKSATK-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CCOC[C@H]1CCN(CCC[NH2+]C)C1 ZINC000308891021 188164855 /nfs/dbraw/zinc/16/48/55/188164855.db2.gz WTIVKCPGYFCCJH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CCOC[C@H]1CC[N@H+](CCCNC)C1 ZINC000308891021 188164856 /nfs/dbraw/zinc/16/48/56/188164856.db2.gz WTIVKCPGYFCCJH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CCOC[C@H]1CC[N@@H+](CCCNC)C1 ZINC000308891021 188164858 /nfs/dbraw/zinc/16/48/58/188164858.db2.gz WTIVKCPGYFCCJH-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364648195 188175986 /nfs/dbraw/zinc/17/59/86/188175986.db2.gz REOQVJLIUQHQRX-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)N(C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](C)O ZINC000336684153 188182405 /nfs/dbraw/zinc/18/24/05/188182405.db2.gz FODDOUYFMLYXDG-AAEUAGOBSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H](C)O ZINC000336684153 188182407 /nfs/dbraw/zinc/18/24/07/188182407.db2.gz FODDOUYFMLYXDG-AAEUAGOBSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@H](C)CN1 ZINC000237479474 188190545 /nfs/dbraw/zinc/19/05/45/188190545.db2.gz DHBJFVHWNDGJEA-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000040459361 188215666 /nfs/dbraw/zinc/21/56/66/188215666.db2.gz AZQIGINRRLXGBP-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133423 188222239 /nfs/dbraw/zinc/22/22/39/188222239.db2.gz MYCWSMXIWAGCOP-NSHDSACASA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133423 188222240 /nfs/dbraw/zinc/22/22/40/188222240.db2.gz MYCWSMXIWAGCOP-NSHDSACASA-N 1 3 229.368 0.816 20 0 BCADHO [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2)CC1 ZINC000639023302 353282692 /nfs/dbraw/zinc/28/26/92/353282692.db2.gz WKJVHFVOADFGPE-GMTAPVOTSA-N 1 3 225.336 0.515 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639026129 353285806 /nfs/dbraw/zinc/28/58/06/353285806.db2.gz XSZIJIUNLAFHQC-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)C1CCC1 ZINC000639032408 353301906 /nfs/dbraw/zinc/30/19/06/353301906.db2.gz WGOPSPGQWSDUCX-GMTAPVOTSA-N 1 3 225.336 0.500 20 0 BCADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N(C)C ZINC000639030447 353303050 /nfs/dbraw/zinc/30/30/50/353303050.db2.gz VDCRIBFIBWSSND-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@@H](CNC[C@]1(O)CC[N@H+](C)C1)OC ZINC000639049613 353344354 /nfs/dbraw/zinc/34/43/54/353344354.db2.gz WCDDDVFOMUHJMF-NWDGAFQWSA-N 1 3 230.352 0.458 20 0 BCADHO CCC[C@@H](CNC[C@]1(O)CC[N@@H+](C)C1)OC ZINC000639049613 353344356 /nfs/dbraw/zinc/34/43/56/353344356.db2.gz WCDDDVFOMUHJMF-NWDGAFQWSA-N 1 3 230.352 0.458 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000132019658 353374743 /nfs/dbraw/zinc/37/47/43/353374743.db2.gz QLSPJOBNKIFZFP-QWRGUYRKSA-N 1 3 227.352 0.762 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000572481625 324122325 /nfs/dbraw/zinc/12/23/25/324122325.db2.gz SLRIQLDIWYCSOC-NHCYSSNCSA-N 1 3 227.352 0.618 20 0 BCADHO N[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCC1 ZINC000563809139 353536176 /nfs/dbraw/zinc/53/61/76/353536176.db2.gz NUJKOVIOINJHAC-WOPDTQHZSA-N 1 3 237.347 0.182 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000193298964 353589104 /nfs/dbraw/zinc/58/91/04/353589104.db2.gz MOWZMTUENHNZKD-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CCNC(=O)CC[C@@H](C)[NH3+])C1CC1 ZINC000193309269 353590059 /nfs/dbraw/zinc/59/00/59/353590059.db2.gz NEFAUEYDEDOURP-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC000366814738 353595437 /nfs/dbraw/zinc/59/54/37/353595437.db2.gz YRQRWAMSORYQBQ-UHFFFAOYSA-N 1 3 225.336 0.293 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115323 353551682 /nfs/dbraw/zinc/55/16/82/353551682.db2.gz LVFSJNWEQQVTLY-LBPRGKRZSA-N 1 3 241.379 0.642 20 0 BCADHO CCN1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062897069 353573066 /nfs/dbraw/zinc/57/30/66/353573066.db2.gz TYLPOTSIXRVRFG-ZDUSSCGKSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000577866483 366091418 /nfs/dbraw/zinc/09/14/18/366091418.db2.gz RDZHNTOOVZWRKO-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000577866483 366091419 /nfs/dbraw/zinc/09/14/19/366091419.db2.gz RDZHNTOOVZWRKO-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000165747502 353611045 /nfs/dbraw/zinc/61/10/45/353611045.db2.gz ZSVCAHBWXVUQEP-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](O)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000398467489 363246944 /nfs/dbraw/zinc/24/69/44/363246944.db2.gz COFIXQMEHMKRTH-OLZOCXBDSA-N 1 3 244.379 0.584 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000627096891 363257008 /nfs/dbraw/zinc/25/70/08/363257008.db2.gz FOCFDDOHPOSSAH-UTLUCORTSA-N 1 3 228.340 0.116 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)[C@H](C)N)CC1 ZINC000165865296 353757452 /nfs/dbraw/zinc/75/74/52/353757452.db2.gz YCUOKGUJRQZAJO-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)C1(N)CCC1 ZINC000220043989 353817335 /nfs/dbraw/zinc/81/73/35/353817335.db2.gz PUHHSHUZXUBVCX-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)C1(N)CCC1 ZINC000220043989 353817337 /nfs/dbraw/zinc/81/73/37/353817337.db2.gz PUHHSHUZXUBVCX-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000343437014 353885897 /nfs/dbraw/zinc/88/58/97/353885897.db2.gz MZCVDMQWJTUQIA-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627116630 363283421 /nfs/dbraw/zinc/28/34/21/363283421.db2.gz KNPWWHVVBOWQIH-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO CN(C)CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627130683 363300654 /nfs/dbraw/zinc/30/06/54/363300654.db2.gz ISSWPHVNOFWGGM-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](C)N ZINC000230711129 363321088 /nfs/dbraw/zinc/32/10/88/363321088.db2.gz NNNBJIHRVMTENH-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000449684336 202003167 /nfs/dbraw/zinc/00/31/67/202003167.db2.gz KOAYDVFDRSNVIQ-NEPJUHHUSA-N 1 3 239.363 0.777 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N(C)C ZINC000449723766 202008419 /nfs/dbraw/zinc/00/84/19/202008419.db2.gz MEJWKWBDAFGUBC-GRYCIOLGSA-N 1 3 241.379 0.816 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000449724784 202008931 /nfs/dbraw/zinc/00/89/31/202008931.db2.gz NHEWCVKJTUPBSF-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N(C)C ZINC000449723768 202009950 /nfs/dbraw/zinc/00/99/50/202009950.db2.gz MEJWKWBDAFGUBC-IJLUTSLNSA-N 1 3 241.379 0.816 20 0 BCADHO C[NH+](C)CCOCCNCc1cc[nH]c1 ZINC000231676480 363347564 /nfs/dbraw/zinc/34/75/64/363347564.db2.gz ZZRWFRQZXWBGIM-UHFFFAOYSA-N 1 3 211.309 0.683 20 0 BCADHO CCCN(C)CC(=O)NCC[N@H+](C)CC ZINC000344629060 354330089 /nfs/dbraw/zinc/33/00/89/354330089.db2.gz PIQXJAUGPFNFON-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO CCCN(C)CC(=O)NCC[N@@H+](C)CC ZINC000344629060 354330090 /nfs/dbraw/zinc/33/00/90/354330090.db2.gz PIQXJAUGPFNFON-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO CC[N@@H+]1CC[C@@H](N[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750951 202019269 /nfs/dbraw/zinc/01/92/69/202019269.db2.gz KIDIEYJJHBGPEF-WISYIIOYSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@@H](N[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750951 202019273 /nfs/dbraw/zinc/01/92/73/202019273.db2.gz KIDIEYJJHBGPEF-WISYIIOYSA-N 1 3 212.337 0.830 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)C[C@@]1(C)C[NH3+] ZINC000578011948 366179211 /nfs/dbraw/zinc/17/92/11/366179211.db2.gz INOYJTGBCZKMSJ-VHSKPIJISA-N 1 3 249.305 0.412 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)CNC2CC2)CC1 ZINC000178907633 366180167 /nfs/dbraw/zinc/18/01/67/366180167.db2.gz RUHKSSRXGVXRMI-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000334722814 354523069 /nfs/dbraw/zinc/52/30/69/354523069.db2.gz KNSLPGGQHMDNRG-NSHDSACASA-N 1 3 237.347 0.245 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC000334722814 354523073 /nfs/dbraw/zinc/52/30/73/354523073.db2.gz KNSLPGGQHMDNRG-NSHDSACASA-N 1 3 237.347 0.245 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335093874 354631556 /nfs/dbraw/zinc/63/15/56/354631556.db2.gz KCBKJHTVQZJSOA-LBPRGKRZSA-N 1 3 239.363 0.845 20 0 BCADHO C[C@H](O)C[C@H](C)CNC[C@H](O)C[NH+]1CCCC1 ZINC000398644110 363393904 /nfs/dbraw/zinc/39/39/04/363393904.db2.gz WANSXFPBASAWFQ-AVGNSLFASA-N 1 3 244.379 0.440 20 0 BCADHO Cc1ccc(CCCNC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000345999678 354836359 /nfs/dbraw/zinc/83/63/59/354836359.db2.gz WQNUBHKZXZWDRG-UONOGXRCSA-N 1 3 249.358 0.493 20 0 BCADHO C[C@H]1OCC[C@@H]1[NH2+]CCOCCN(C)C ZINC000235586248 363447859 /nfs/dbraw/zinc/44/78/59/363447859.db2.gz HNPSSGQPSFLWLY-MNOVXSKESA-N 1 3 216.325 0.332 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000166055953 354921631 /nfs/dbraw/zinc/92/16/31/354921631.db2.gz NQGWWFAHDKQRTL-WRWGMCAJSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000166055953 354921635 /nfs/dbraw/zinc/92/16/35/354921635.db2.gz NQGWWFAHDKQRTL-WRWGMCAJSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000166067622 355013131 /nfs/dbraw/zinc/01/31/31/355013131.db2.gz BQHCATAPDPDXBB-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](N)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000166067622 355013133 /nfs/dbraw/zinc/01/31/33/355013133.db2.gz BQHCATAPDPDXBB-QWRGUYRKSA-N 1 3 241.379 0.960 20 0 BCADHO CCOC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113516312 355233791 /nfs/dbraw/zinc/23/37/91/355233791.db2.gz WBPRUNYRVJXDHQ-NSHDSACASA-N 1 3 228.336 0.823 20 0 BCADHO CCOC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113516312 355233793 /nfs/dbraw/zinc/23/37/93/355233793.db2.gz WBPRUNYRVJXDHQ-NSHDSACASA-N 1 3 228.336 0.823 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000094647224 491076338 /nfs/dbraw/zinc/07/63/38/491076338.db2.gz IEZWQPCJFDCHAF-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO COCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000113512949 355249049 /nfs/dbraw/zinc/24/90/49/355249049.db2.gz SSUWUFVAHQXIMD-LLVKDONJSA-N 1 3 200.326 0.906 20 0 BCADHO CCOCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113515882 355253025 /nfs/dbraw/zinc/25/30/25/355253025.db2.gz NDISXYAXDOMUDH-LLVKDONJSA-N 1 3 200.326 0.906 20 0 BCADHO CCOCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113515882 355253027 /nfs/dbraw/zinc/25/30/27/355253027.db2.gz NDISXYAXDOMUDH-LLVKDONJSA-N 1 3 200.326 0.906 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCNCC1(C)C ZINC000309796027 491076932 /nfs/dbraw/zinc/07/69/32/491076932.db2.gz QDUSUPAVXDIIFN-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO O[C@H]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000623748933 355297462 /nfs/dbraw/zinc/29/74/62/355297462.db2.gz OJWXEDZOSYKUIN-LPWJVIDDSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000623748933 355297465 /nfs/dbraw/zinc/29/74/65/355297465.db2.gz OJWXEDZOSYKUIN-LPWJVIDDSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN(C)CC1 ZINC000583498199 355331259 /nfs/dbraw/zinc/33/12/59/355331259.db2.gz CPKUCZUOCNJLGB-VHSXEESVSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000583498197 355331582 /nfs/dbraw/zinc/33/15/82/355331582.db2.gz CPKUCZUOCNJLGB-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H]1C[N@H+](C)CCN1CCCc1cncn1C ZINC000583507554 355343931 /nfs/dbraw/zinc/34/39/31/355343931.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 1 3 236.363 0.989 20 0 BCADHO C[C@H]1C[N@@H+](C)CCN1CCCc1cncn1C ZINC000583507554 355343932 /nfs/dbraw/zinc/34/39/32/355343932.db2.gz BKASTKRTPRPBGH-LBPRGKRZSA-N 1 3 236.363 0.989 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@H](C)[NH3+] ZINC000389597583 355360075 /nfs/dbraw/zinc/36/00/75/355360075.db2.gz QXBYCAYCLLWRFF-WPRPVWTQSA-N 1 3 201.314 0.357 20 0 BCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccoc1 ZINC000584345108 355361493 /nfs/dbraw/zinc/36/14/93/355361493.db2.gz CHFUIPLRNKQWOH-LLVKDONJSA-N 1 3 223.320 0.835 20 0 BCADHO NC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000071536335 181190293 /nfs/dbraw/zinc/19/02/93/181190293.db2.gz KENOWLDMFJBBHY-UHFFFAOYSA-N 1 3 232.331 0.918 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCOCCO)[C@H](C)C1 ZINC000166458118 355502959 /nfs/dbraw/zinc/50/29/59/355502959.db2.gz ZWTYIDXJACTUMZ-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCOCCO)[C@H](C)C1 ZINC000166458118 355502961 /nfs/dbraw/zinc/50/29/61/355502961.db2.gz ZWTYIDXJACTUMZ-VXGBXAGGSA-N 1 3 230.352 0.315 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000349961595 355540823 /nfs/dbraw/zinc/54/08/23/355540823.db2.gz MSQAIHWARFVKMD-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)(N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000335831517 355558226 /nfs/dbraw/zinc/55/82/26/355558226.db2.gz KYOKEFOJEVRPNF-UHFFFAOYSA-N 1 3 233.315 0.643 20 0 BCADHO CN(C(=O)[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC2)C1 ZINC000335852305 355596559 /nfs/dbraw/zinc/59/65/59/355596559.db2.gz VCJWZWHCAFHDPZ-JQWIXIFHSA-N 1 3 237.347 0.291 20 0 BCADHO C1CC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@@H]1CCO[C@@H]12 ZINC000415041041 191659841 /nfs/dbraw/zinc/65/98/41/191659841.db2.gz QPIDGNBEBHVDEQ-WTHWOGDNSA-N 1 3 234.343 0.751 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000349984342 355570060 /nfs/dbraw/zinc/57/00/60/355570060.db2.gz DCOUWQNABKRDJC-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)[C@H](C)CN1 ZINC000583565519 355647674 /nfs/dbraw/zinc/64/76/74/355647674.db2.gz BKFOTGCODNCZQG-PRJMDXOYSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)[C@H](C)CN1 ZINC000583565519 355647678 /nfs/dbraw/zinc/64/76/78/355647678.db2.gz BKFOTGCODNCZQG-PRJMDXOYSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)CC(F)F)[C@H](C)CN1 ZINC000583565516 355647785 /nfs/dbraw/zinc/64/77/85/355647785.db2.gz BKFOTGCODNCZQG-BWZBUEFSSA-N 1 3 235.278 0.178 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)[C@H](C)CN1 ZINC000583565516 355647787 /nfs/dbraw/zinc/64/77/87/355647787.db2.gz BKFOTGCODNCZQG-BWZBUEFSSA-N 1 3 235.278 0.178 20 0 BCADHO CCn1ncnc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000639313075 355684562 /nfs/dbraw/zinc/68/45/62/355684562.db2.gz SBESHTYJIBJXMD-PHIMTYICSA-N 1 3 237.351 0.728 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000399089193 355836642 /nfs/dbraw/zinc/83/66/42/355836642.db2.gz SNUUCNKEJQXFNK-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO FC(F)[C@H]1CNCCN1C[C@@H]1CCC[NH2+]C1 ZINC000583630696 355941081 /nfs/dbraw/zinc/94/10/81/355941081.db2.gz PBDARNWFSPXIAJ-NXEZZACHSA-N 1 3 233.306 0.525 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167378938 355986338 /nfs/dbraw/zinc/98/63/38/355986338.db2.gz QSQIIHPWWANTLC-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCCC[NH+](C)C)C1 ZINC000167379049 355986899 /nfs/dbraw/zinc/98/68/99/355986899.db2.gz QSQIIHPWWANTLC-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000417813277 191930277 /nfs/dbraw/zinc/93/02/77/191930277.db2.gz PLPHLEMKTPWIGF-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417818960 191930311 /nfs/dbraw/zinc/93/03/11/191930311.db2.gz SVFFNOUXJSZLLJ-QWRGUYRKSA-N 1 3 227.352 0.490 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000417847092 191937431 /nfs/dbraw/zinc/93/74/31/191937431.db2.gz ZBBNBESUPPDURA-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1O ZINC000351807790 356087967 /nfs/dbraw/zinc/08/79/67/356087967.db2.gz HYFINKDLXNBLTO-IJLUTSLNSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H]1O ZINC000351807790 356087971 /nfs/dbraw/zinc/08/79/71/356087971.db2.gz HYFINKDLXNBLTO-IJLUTSLNSA-N 1 3 212.337 0.783 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000418260424 192006384 /nfs/dbraw/zinc/00/63/84/192006384.db2.gz PCSHOISDLRMBSR-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](C)N(C)C ZINC000418269774 192008560 /nfs/dbraw/zinc/00/85/60/192008560.db2.gz YKLIQCDCGQKLHK-JTQLQIEISA-N 1 3 244.383 0.753 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)NCC[NH3+] ZINC000418293759 192018683 /nfs/dbraw/zinc/01/86/83/192018683.db2.gz FZNJUKSFUGDVBO-UHFFFAOYSA-N 1 3 230.356 0.174 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[NH3+] ZINC000418306684 192021158 /nfs/dbraw/zinc/02/11/58/192021158.db2.gz BQDLDJUBIPACOA-LLVKDONJSA-N 1 3 242.367 0.318 20 0 BCADHO CC[NH2+]CCNC(=O)NC(C)(C)CN(C)C ZINC000418315153 192023014 /nfs/dbraw/zinc/02/30/14/192023014.db2.gz GSOKVSGHPLPYDE-UHFFFAOYSA-N 1 3 230.356 0.235 20 0 BCADHO CC(C)N1CC[C@H](N(C)C(=O)NCC[NH3+])C1 ZINC000418293487 192018290 /nfs/dbraw/zinc/01/82/90/192018290.db2.gz FPKWYDIAPXHGQD-JTQLQIEISA-N 1 3 228.340 0.069 20 0 BCADHO CC(C)[C@@H](CO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000394058391 356238101 /nfs/dbraw/zinc/23/81/01/356238101.db2.gz DLBYPTSSISFULS-OLZOCXBDSA-N 1 3 244.379 0.297 20 0 BCADHO CC(C)OC(=O)CCN1C[C@H](C[NH3+])C[C@H]1C ZINC000420319077 192195584 /nfs/dbraw/zinc/19/55/84/192195584.db2.gz OUWBHBDHOYRENH-MNOVXSKESA-N 1 3 228.336 0.997 20 0 BCADHO CCN(C)C(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420294134 192202706 /nfs/dbraw/zinc/20/27/06/192202706.db2.gz SLIWOBNOTXABAX-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]1CN(CCN[C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000420353388 192216988 /nfs/dbraw/zinc/21/69/88/192216988.db2.gz BUZZADHEZVKPKP-NEPJUHHUSA-N 1 3 243.395 0.670 20 0 BCADHO CN(CC[C@@H]1CC[NH2+]C1)CC(=O)NC(C)(C)C ZINC000420304249 192209527 /nfs/dbraw/zinc/20/95/27/192209527.db2.gz LIJTVDVYPALLCZ-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420312973 192210244 /nfs/dbraw/zinc/21/02/44/192210244.db2.gz SUDWXZKDYQZCQX-TUAOUCFPSA-N 1 3 239.363 0.524 20 0 BCADHO CCN(C)C(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420312972 192211381 /nfs/dbraw/zinc/21/13/81/192211381.db2.gz SUDWXZKDYQZCQX-SRVKXCTJSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H]1CN(CC[N@H+](C)[C@@H](CN)C2CC2)CCO1 ZINC000420323014 192227017 /nfs/dbraw/zinc/22/70/17/192227017.db2.gz XNNDPLUCLDFREE-AAEUAGOBSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@H]1CN(CC[N@@H+](C)[C@@H](CN)C2CC2)CCO1 ZINC000420323014 192227020 /nfs/dbraw/zinc/22/70/20/192227020.db2.gz XNNDPLUCLDFREE-AAEUAGOBSA-N 1 3 241.379 0.376 20 0 BCADHO C[NH2+]CCCN1CCNC[C@@](C)(F)C1 ZINC000420325388 192230125 /nfs/dbraw/zinc/23/01/25/192230125.db2.gz DDJGWGFDLRGAHT-SNVBAGLBSA-N 1 3 203.305 0.229 20 0 BCADHO COC(=O)[C@H]1CCCN1CC[C@H]1CC[NH2+]C1 ZINC000420357022 192220023 /nfs/dbraw/zinc/22/00/23/192220023.db2.gz HJYSHGKAHPDBIQ-GHMZBOCLSA-N 1 3 226.320 0.623 20 0 BCADHO COC[C@@H]1CN(CC[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000420368278 192224940 /nfs/dbraw/zinc/22/49/40/192224940.db2.gz HYFUISVWYGQKOI-UPJWGTAASA-N 1 3 242.363 0.722 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NCCN1CCOCC1 ZINC000420367539 192225510 /nfs/dbraw/zinc/22/55/10/192225510.db2.gz SUBCCBHICCNSMG-LLVKDONJSA-N 1 3 229.368 0.282 20 0 BCADHO CSCC[C@H](N)C(=O)NCCC[NH+](C)C ZINC000011754920 356421122 /nfs/dbraw/zinc/42/11/22/356421122.db2.gz YCIQSPQPNPYCAK-VIFPVBQESA-N 1 3 233.381 0.135 20 0 BCADHO CN1CC[C@@H](NCC[NH3+])[C@@H]1c1ccccc1 ZINC000420408703 192239047 /nfs/dbraw/zinc/23/90/47/192239047.db2.gz PSJHXUWBUSXPBR-OLZOCXBDSA-N 1 3 219.332 0.980 20 0 BCADHO CN1CC[C@@H]([NH2+]CCN)[C@@H]1c1ccccc1 ZINC000420408703 192239050 /nfs/dbraw/zinc/23/90/50/192239050.db2.gz PSJHXUWBUSXPBR-OLZOCXBDSA-N 1 3 219.332 0.980 20 0 BCADHO CCOC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420418597 192240836 /nfs/dbraw/zinc/24/08/36/192240836.db2.gz XAHWVMOAWHTMNA-QWRGUYRKSA-N 1 3 228.336 0.856 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000019410901 356483407 /nfs/dbraw/zinc/48/34/07/356483407.db2.gz KGDOZCRMSMHDNF-MNOVXSKESA-N 1 3 225.336 0.339 20 0 BCADHO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)N ZINC000019422960 356483524 /nfs/dbraw/zinc/48/35/24/356483524.db2.gz YDXVGWGFLSXDFX-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000429492914 192289138 /nfs/dbraw/zinc/28/91/38/192289138.db2.gz PWZKAZQEIWAKEA-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO Cn1cncc1CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000639653474 356564451 /nfs/dbraw/zinc/56/44/51/356564451.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cncc1CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000639653474 356564453 /nfs/dbraw/zinc/56/44/53/356564453.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cncc1CC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000639653474 356564459 /nfs/dbraw/zinc/56/44/59/356564459.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 1 3 248.374 0.990 20 0 BCADHO Cn1cncc1CC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000639653474 356564461 /nfs/dbraw/zinc/56/44/61/356564461.db2.gz BOPIFYWUWCUJKK-AWEZNQCLSA-N 1 3 248.374 0.990 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422948057 192510651 /nfs/dbraw/zinc/51/06/51/192510651.db2.gz ZIAQJPMIHLHRJZ-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N1CCC([NH3+])CC1 ZINC000627225747 363551774 /nfs/dbraw/zinc/55/17/74/363551774.db2.gz BNROKOCNDSKNER-NSHDSACASA-N 1 3 240.351 0.213 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000627226414 363553358 /nfs/dbraw/zinc/55/33/58/363553358.db2.gz KSQIUQAWYDPCCY-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000168046862 134155906 /nfs/dbraw/zinc/15/59/06/134155906.db2.gz NXTQIZIAUYVSGG-SRVKXCTJSA-N 1 3 230.352 0.314 20 0 BCADHO COC[C@H](CCO)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000168046862 134155907 /nfs/dbraw/zinc/15/59/07/134155907.db2.gz NXTQIZIAUYVSGG-SRVKXCTJSA-N 1 3 230.352 0.314 20 0 BCADHO CCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761091 356675967 /nfs/dbraw/zinc/67/59/67/356675967.db2.gz GCMYQDYFMAUILC-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CC[C@@](C)(O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767143 356696556 /nfs/dbraw/zinc/69/65/56/356696556.db2.gz PZHBZSFKYRYFNS-OLZOCXBDSA-N 1 3 244.379 0.536 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192235 356707173 /nfs/dbraw/zinc/70/71/73/356707173.db2.gz SDFARXHROFNTKZ-ZYHUDNBSSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000582300346 357036570 /nfs/dbraw/zinc/03/65/70/357036570.db2.gz YCIPPMJNKXGECU-AXFHLTTASA-N 1 3 227.352 0.474 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC000582359208 357103370 /nfs/dbraw/zinc/10/33/70/357103370.db2.gz XUCVTDBFJPZWHK-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000390614820 357107300 /nfs/dbraw/zinc/10/73/00/357107300.db2.gz GNVWMHMPTFNPOZ-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000389945576 357073257 /nfs/dbraw/zinc/07/32/57/357073257.db2.gz QMTNWGNVYQRVOM-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](CC(N)=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000389945576 357073259 /nfs/dbraw/zinc/07/32/59/357073259.db2.gz QMTNWGNVYQRVOM-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000582421249 357143647 /nfs/dbraw/zinc/14/36/47/357143647.db2.gz LQWFHNXDXKGARC-HTQZYQBOSA-N 1 3 237.294 0.459 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000582425712 357145820 /nfs/dbraw/zinc/14/58/20/357145820.db2.gz KMUJICHECVJQGG-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000582425712 357145825 /nfs/dbraw/zinc/14/58/25/357145825.db2.gz KMUJICHECVJQGG-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)C[C@H]1CCCOC1 ZINC000582425712 357145827 /nfs/dbraw/zinc/14/58/27/357145827.db2.gz KMUJICHECVJQGG-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)O[C@@H]1C ZINC000423273859 192667616 /nfs/dbraw/zinc/66/76/16/192667616.db2.gz LJHARLDLDJPFJF-UKKRHICBSA-N 1 3 200.326 0.997 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000582724672 357372635 /nfs/dbraw/zinc/37/26/35/357372635.db2.gz CGHSZIONICYXPM-DCAQKATOSA-N 1 3 227.352 0.413 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@H](CN)c1ccccc1 ZINC000582605315 357349229 /nfs/dbraw/zinc/34/92/29/357349229.db2.gz PJNKCHMXJJABAM-ZYHUDNBSSA-N 1 3 235.331 0.582 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000582667749 357358523 /nfs/dbraw/zinc/35/85/23/357358523.db2.gz ZYCXYINERFMSAW-NRPADANISA-N 1 3 213.325 0.356 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000582784106 357392523 /nfs/dbraw/zinc/39/25/23/357392523.db2.gz GCAZPBCYSAQUPB-NSHDSACASA-N 1 3 239.294 0.204 20 0 BCADHO C[C@@]1(CNC(=O)CNC2CC2)CCC[NH2+]C1 ZINC000582835452 357411630 /nfs/dbraw/zinc/41/16/30/357411630.db2.gz SKZPVDQBRKRMLQ-GFCCVEGCSA-N 1 3 225.336 0.244 20 0 BCADHO C[C@@H](O)[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000583079827 357473716 /nfs/dbraw/zinc/47/37/16/357473716.db2.gz NIZKBAUJMVBVST-VXGBXAGGSA-N 1 3 243.395 0.371 20 0 BCADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)[C@H](C)O ZINC000583079824 357473725 /nfs/dbraw/zinc/47/37/25/357473725.db2.gz NIZKBAUJMVBVST-NEPJUHHUSA-N 1 3 243.395 0.371 20 0 BCADHO CC[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188692122 357572866 /nfs/dbraw/zinc/57/28/66/357572866.db2.gz YLOIYBAHIGJBQL-LBPRGKRZSA-N 1 3 233.315 0.643 20 0 BCADHO CCC[C@H](N)C(=O)N(CC)CCC[NH+](C)C ZINC000230711137 357573101 /nfs/dbraw/zinc/57/31/01/357573101.db2.gz ZVLIWEQPFWQSHV-NSHDSACASA-N 1 3 229.368 0.914 20 0 BCADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)N ZINC000230712630 357573441 /nfs/dbraw/zinc/57/34/41/357573441.db2.gz SZUBTQMDMBXVEA-LLVKDONJSA-N 1 3 229.368 0.914 20 0 BCADHO C[C@@H](NCCC(N)=O)C(C)(C)C[NH+](C)C ZINC000583199166 357516744 /nfs/dbraw/zinc/51/67/44/357516744.db2.gz BBCOZTNURDFLDA-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H](NCCC(N)=O)C(C)(C)C[NH+](C)C ZINC000583199167 357516787 /nfs/dbraw/zinc/51/67/87/357516787.db2.gz BBCOZTNURDFLDA-VIFPVBQESA-N 1 3 215.341 0.428 20 0 BCADHO C[NH+](C)CC[C@@H](NCCC(N)=O)C(C)(C)C ZINC000583199363 357516798 /nfs/dbraw/zinc/51/67/98/357516798.db2.gz MEGNRMVXXDZDJK-SNVBAGLBSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CCOCCN(C)C)CCO1 ZINC000231676242 357620102 /nfs/dbraw/zinc/62/01/02/357620102.db2.gz BRIPWSTZDHTMBB-NWDGAFQWSA-N 1 3 230.352 0.722 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000232015896 357638236 /nfs/dbraw/zinc/63/82/36/357638236.db2.gz LQBUWMWOHOQPGB-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000232015896 357638240 /nfs/dbraw/zinc/63/82/40/357638240.db2.gz LQBUWMWOHOQPGB-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCOCC[NH+](C)C ZINC000233403892 357722705 /nfs/dbraw/zinc/72/27/05/357722705.db2.gz IYCLHQXBHDAGOK-LBPRGKRZSA-N 1 3 245.367 0.198 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000234002411 357768249 /nfs/dbraw/zinc/76/82/49/357768249.db2.gz GWMBNQDZEWDBRF-QWRGUYRKSA-N 1 3 245.367 0.054 20 0 BCADHO CCN1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000086067423 357801789 /nfs/dbraw/zinc/80/17/89/357801789.db2.gz IHMNUGNNSOGXCQ-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000086066966 357810178 /nfs/dbraw/zinc/81/01/78/357810178.db2.gz SRNOAJDSBCWREZ-WDEREUQCSA-N 1 3 225.336 0.149 20 0 BCADHO CSC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000235247908 357858540 /nfs/dbraw/zinc/85/85/40/357858540.db2.gz KRQZFDYSJSNIPH-NSHDSACASA-N 1 3 244.404 0.928 20 0 BCADHO C[C@@H]1C[C@@H](C(=O)NCCN(C)C2CC2)CC[NH2+]1 ZINC000235379760 357859460 /nfs/dbraw/zinc/85/94/60/357859460.db2.gz IXQMZZOYVCLSAY-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CCN1C ZINC000132973598 325257967 /nfs/dbraw/zinc/25/79/67/325257967.db2.gz OQVMXYUGNLLGJF-AXFHLTTASA-N 1 3 225.336 0.195 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399082186 357896157 /nfs/dbraw/zinc/89/61/57/357896157.db2.gz SJTNNHGZFJYXED-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399082186 357896160 /nfs/dbraw/zinc/89/61/60/357896160.db2.gz SJTNNHGZFJYXED-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@](C)(CO)C(C)C ZINC000398526131 357887190 /nfs/dbraw/zinc/88/71/90/357887190.db2.gz VPTSGEPKCSYDEL-VXGBXAGGSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@](C)(CO)C(C)C ZINC000398526131 357887192 /nfs/dbraw/zinc/88/71/92/357887192.db2.gz VPTSGEPKCSYDEL-VXGBXAGGSA-N 1 3 232.368 0.296 20 0 BCADHO C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CCCNC1 ZINC000584463670 357980005 /nfs/dbraw/zinc/98/00/05/357980005.db2.gz DDDBTZSHAVLERN-CYZMBNFOSA-N 1 3 226.364 0.983 20 0 BCADHO [NH3+]CCOCCN1CCS[C@@H]2COCC[C@@H]21 ZINC000584474993 357991282 /nfs/dbraw/zinc/99/12/82/357991282.db2.gz PRKGYIYDSLUGPG-WDEREUQCSA-N 1 3 246.376 0.168 20 0 BCADHO C[C@H](CNC(=O)CC[NH2+]C1CC1)N(C)C1CC1 ZINC000219974507 358010901 /nfs/dbraw/zinc/01/09/01/358010901.db2.gz SIKXICSGAYJCQZ-SNVBAGLBSA-N 1 3 239.363 0.727 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000037484153 358073184 /nfs/dbraw/zinc/07/31/84/358073184.db2.gz OEAOTKUABHNFFP-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)CNC2CC2)C1 ZINC000037484153 358073187 /nfs/dbraw/zinc/07/31/87/358073187.db2.gz OEAOTKUABHNFFP-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000169240495 134250293 /nfs/dbraw/zinc/25/02/93/134250293.db2.gz YJXOSNHSJGBXNI-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000584589395 358103364 /nfs/dbraw/zinc/10/33/64/358103364.db2.gz OZIKXNINCXGXHA-ONGXEEELSA-N 1 3 225.336 0.182 20 0 BCADHO CCN1CCC(NC(=O)CC[NH2+]C(C)C)CC1 ZINC000038098316 358107276 /nfs/dbraw/zinc/10/72/76/358107276.db2.gz INIFPZBIGJPUGO-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000584665372 358127055 /nfs/dbraw/zinc/12/70/55/358127055.db2.gz KCXVPOPUVSSQFP-SDDRHHMPSA-N 1 3 230.352 0.633 20 0 BCADHO COC[C@](C)(O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000584665372 358127057 /nfs/dbraw/zinc/12/70/57/358127057.db2.gz KCXVPOPUVSSQFP-SDDRHHMPSA-N 1 3 230.352 0.633 20 0 BCADHO C[C@H](CN1CCCC1=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222968476 358216427 /nfs/dbraw/zinc/21/64/27/358216427.db2.gz UOGJVLGEQJWQCA-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222968476 358216430 /nfs/dbraw/zinc/21/64/30/358216430.db2.gz UOGJVLGEQJWQCA-UTUOFQBUSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCN1C ZINC000224048403 358231504 /nfs/dbraw/zinc/23/15/04/358231504.db2.gz NFYLOMHXYHSCDJ-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CCOCCN(C)C)CO1 ZINC000401847773 491129125 /nfs/dbraw/zinc/12/91/25/491129125.db2.gz VDZCQVVTUKCUGU-MNOVXSKESA-N 1 3 216.325 0.332 20 0 BCADHO C[C@@H](CNC(=O)CNC1CC1)[N@H+](C)C1CC1 ZINC000229094124 358345026 /nfs/dbraw/zinc/34/50/26/358345026.db2.gz OHNJAXZOEIJVJW-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H](CNC(=O)CNC1CC1)[N@@H+](C)C1CC1 ZINC000229094124 358345028 /nfs/dbraw/zinc/34/50/28/358345028.db2.gz OHNJAXZOEIJVJW-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000227151950 358350507 /nfs/dbraw/zinc/35/05/07/358350507.db2.gz ZMOCDAXUAVMZRA-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CN[C@@H](C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000227151950 358350509 /nfs/dbraw/zinc/35/05/09/358350509.db2.gz ZMOCDAXUAVMZRA-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO Cn1ccc(CCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000227220658 358352249 /nfs/dbraw/zinc/35/22/49/358352249.db2.gz UIXBZIJRACGORU-PWSUYJOCSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1ccc(CC[NH2+][C@H]2CCC[C@@H](N)C2)n1 ZINC000227220658 358352252 /nfs/dbraw/zinc/35/22/52/358352252.db2.gz UIXBZIJRACGORU-PWSUYJOCSA-N 1 3 222.336 0.822 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@H]1CCCN(C)C1 ZINC000044539018 358390867 /nfs/dbraw/zinc/39/08/67/358390867.db2.gz CDQDPOUOPUUIKD-JTQLQIEISA-N 1 3 213.325 0.054 20 0 BCADHO C[N@@H+]1CCC[C@H](CNC(=O)CNC2CC2)C1 ZINC000044538941 358391220 /nfs/dbraw/zinc/39/12/20/358391220.db2.gz PRJIWIYCOXEFBS-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[N@H+]1CCC[C@H](CNC(=O)CNC2CC2)C1 ZINC000044538941 358391222 /nfs/dbraw/zinc/39/12/22/358391222.db2.gz PRJIWIYCOXEFBS-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538931 358391251 /nfs/dbraw/zinc/39/12/51/358391251.db2.gz YRRBAEBKCVGKKH-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538931 358391255 /nfs/dbraw/zinc/39/12/55/358391255.db2.gz YRRBAEBKCVGKKH-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCSCCCO)C1 ZINC000230784298 358410785 /nfs/dbraw/zinc/41/07/85/358410785.db2.gz OLEXZZKNSGABOU-GHMZBOCLSA-N 1 3 232.393 0.962 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCSCCCO)C1 ZINC000230784300 358410894 /nfs/dbraw/zinc/41/08/94/358410894.db2.gz OLEXZZKNSGABOU-WDEREUQCSA-N 1 3 232.393 0.962 20 0 BCADHO CNC(=O)C(C)(C)CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000230385221 358398723 /nfs/dbraw/zinc/39/87/23/358398723.db2.gz RUVSKRSVOVEPFI-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H](N)C1 ZINC000230385221 358398724 /nfs/dbraw/zinc/39/87/24/358398724.db2.gz RUVSKRSVOVEPFI-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@@H](C[NH3+])C(C)C)C1 ZINC000044805832 358554511 /nfs/dbraw/zinc/55/45/11/358554511.db2.gz VPKIBRHVOYGNAQ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CCN(C)CC1 ZINC000086270938 358566078 /nfs/dbraw/zinc/56/60/78/358566078.db2.gz NKXAOXKRVZWAIE-MWLCHTKSSA-N 1 3 225.336 0.195 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H](O)COC)[C@H](C)C1 ZINC000129611280 358589724 /nfs/dbraw/zinc/58/97/24/358589724.db2.gz MFRHOGXEXLBVKN-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H](O)COC)[C@H](C)C1 ZINC000129611280 358589726 /nfs/dbraw/zinc/58/97/26/358589726.db2.gz MFRHOGXEXLBVKN-WOPDTQHZSA-N 1 3 230.352 0.314 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000130979191 358655489 /nfs/dbraw/zinc/65/54/89/358655489.db2.gz BKWOIULJLSIDFI-RYUDHWBXSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000130979191 358655490 /nfs/dbraw/zinc/65/54/90/358655490.db2.gz BKWOIULJLSIDFI-RYUDHWBXSA-N 1 3 241.379 0.641 20 0 BCADHO [NH3+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000131205923 358665778 /nfs/dbraw/zinc/66/57/78/358665778.db2.gz ZKKALDHEBSCLAA-GXSJLCMTSA-N 1 3 229.299 0.028 20 0 BCADHO [NH3+]C1(CNC(=O)[C@H]2CCCCN2)CCCCC1 ZINC000131517812 358680533 /nfs/dbraw/zinc/68/05/33/358680533.db2.gz WZVMSYLWBIOEJP-LLVKDONJSA-N 1 3 239.363 0.906 20 0 BCADHO CNCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000175896883 134288210 /nfs/dbraw/zinc/28/82/10/134288210.db2.gz PKFRYLUTHXISJT-UHFFFAOYSA-N 1 3 235.331 0.584 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000132926463 358739237 /nfs/dbraw/zinc/73/92/37/358739237.db2.gz OUZCBRTVRAXPCX-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO O=C(CCC1CC[NH2+]CC1)N1CCCNCC1 ZINC000050942233 358739643 /nfs/dbraw/zinc/73/96/43/358739643.db2.gz SMWORHMPARJOAA-UHFFFAOYSA-N 1 3 239.363 0.588 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000578236148 366464876 /nfs/dbraw/zinc/46/48/76/366464876.db2.gz YPJZAAWMJZAGFB-NWDGAFQWSA-N 1 3 237.347 0.243 20 0 BCADHO CCC[NH+]1CCC(N[C@H](C)CC(N)=O)CC1 ZINC000135809855 358851865 /nfs/dbraw/zinc/85/18/65/358851865.db2.gz RCTKMCLOORACNW-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CCCC(=O)N1CCC[C@@H]1CN(C)C ZINC000061645175 358935976 /nfs/dbraw/zinc/93/59/76/358935976.db2.gz UJUPVMNDVGDCQY-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645161 358936154 /nfs/dbraw/zinc/93/61/54/358936154.db2.gz KZVFOMIEACJHID-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1CN(CCOCC[NH3+])C[C@H](C)S1 ZINC000086435819 358976965 /nfs/dbraw/zinc/97/69/65/358976965.db2.gz XFGMRRKKCNYIJT-AOOOYVTPSA-N 1 3 218.366 0.788 20 0 BCADHO C[C@@H]1COCCN1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000578337742 366528392 /nfs/dbraw/zinc/52/83/92/366528392.db2.gz PSTNUMVVLQSKEA-AGIUHOORSA-N 1 3 241.379 0.567 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCOCCOC)[C@@H](C)C1 ZINC000247117577 359214308 /nfs/dbraw/zinc/21/43/08/359214308.db2.gz QZJFFPBONKKYDV-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCOCCOC)[C@@H](C)C1 ZINC000247117577 359214312 /nfs/dbraw/zinc/21/43/12/359214312.db2.gz QZJFFPBONKKYDV-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252611333 359315118 /nfs/dbraw/zinc/31/51/18/359315118.db2.gz VLEHGQDIBFRTEJ-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@@H](CNC(=O)C12CCCN1CCC2)C1CC1 ZINC000423474173 192784919 /nfs/dbraw/zinc/78/49/19/192784919.db2.gz HXNXNIVJDOTXIE-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](CCC)N(C)C ZINC000423473441 192785168 /nfs/dbraw/zinc/78/51/68/192785168.db2.gz YHRDTFUAIICSPL-LLVKDONJSA-N 1 3 229.368 0.833 20 0 BCADHO CC[C@@H](NC[C@@H]1CNCCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498725 192795983 /nfs/dbraw/zinc/79/59/83/192795983.db2.gz BXBFWCFXCVFDBZ-XQQFMLRXSA-N 1 3 240.395 0.010 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000572406371 359490128 /nfs/dbraw/zinc/49/01/28/359490128.db2.gz QRZKJSNZGTXCHX-YFKTTZPYSA-N 1 3 239.363 0.583 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCNC[C@@H]1C ZINC000379529750 359538018 /nfs/dbraw/zinc/53/80/18/359538018.db2.gz IEBMLSOLHJNPML-VWYCJHECSA-N 1 3 200.326 0.857 20 0 BCADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)NC ZINC000578522770 366589120 /nfs/dbraw/zinc/58/91/20/366589120.db2.gz WQJBOHXNGXJCLS-BBBLOLIVSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2)CC[NH2+]1 ZINC000578534953 366593795 /nfs/dbraw/zinc/59/37/95/366593795.db2.gz YGLIDZXBQLIJKX-GMTAPVOTSA-N 1 3 225.336 0.385 20 0 BCADHO CCN1CCC(NC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000087528757 359917746 /nfs/dbraw/zinc/91/77/46/359917746.db2.gz DPSIORRIBVNNON-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CNC(=O)CCCN(C)CCC[NH2+]C ZINC000087472757 366600337 /nfs/dbraw/zinc/60/03/37/366600337.db2.gz KZQPUERLLZMMNF-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000089147819 359994322 /nfs/dbraw/zinc/99/43/22/359994322.db2.gz VOUBHNFOBQZXSQ-STQMWFEESA-N 1 3 241.379 0.426 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(CCN(C)C)CC(C)C ZINC000092134855 360154171 /nfs/dbraw/zinc/15/41/71/360154171.db2.gz GMQFHGIIXCPBJJ-LBPRGKRZSA-N 1 3 243.395 0.888 20 0 BCADHO CCN(CC[NH3+])C(=O)NC1CCN(C)CC1 ZINC000626920721 360510148 /nfs/dbraw/zinc/51/01/48/360510148.db2.gz ALJOQLISRSUZBV-UHFFFAOYSA-N 1 3 228.340 0.071 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000629408942 361058371 /nfs/dbraw/zinc/05/83/71/361058371.db2.gz DABCFPYVAVJJSH-HOSYDEDBSA-N 1 3 209.337 0.421 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424149860 200868943 /nfs/dbraw/zinc/86/89/43/200868943.db2.gz XROFWCITHIPHJQ-UTUOFQBUSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424149860 200868946 /nfs/dbraw/zinc/86/89/46/200868946.db2.gz XROFWCITHIPHJQ-UTUOFQBUSA-N 1 3 239.363 0.428 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000424156694 200871235 /nfs/dbraw/zinc/87/12/35/200871235.db2.gz PVSMGBIHIORXJL-TUAOUCFPSA-N 1 3 237.347 0.324 20 0 BCADHO CO[C@H](C)[C@@H](C)NCC1([NH3+])CCOCC1 ZINC000629521072 361117908 /nfs/dbraw/zinc/11/79/08/361117908.db2.gz KZLILTQILAWTFV-NXEZZACHSA-N 1 3 216.325 0.507 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCOC2CCOCC2)C1 ZINC000629519621 361119873 /nfs/dbraw/zinc/11/98/73/361119873.db2.gz DVLDIWJCWKBQBC-RYUDHWBXSA-N 1 3 242.363 0.851 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCOCC1 ZINC000629519626 361120091 /nfs/dbraw/zinc/12/00/91/361120091.db2.gz BXUDCDYUNCZCMY-QWRGUYRKSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1NCC1([NH3+])CCOCC1 ZINC000629519626 361120097 /nfs/dbraw/zinc/12/00/97/361120097.db2.gz BXUDCDYUNCZCMY-QWRGUYRKSA-N 1 3 227.352 0.034 20 0 BCADHO NC1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000335420773 181324429 /nfs/dbraw/zinc/32/44/29/181324429.db2.gz AEZXIDUXOXBUJV-GFCCVEGCSA-N 1 3 237.347 0.470 20 0 BCADHO CN1CCOC[C@@H]1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000629532743 361154538 /nfs/dbraw/zinc/15/45/38/361154538.db2.gz PKFGCALQFHNEOC-GRYCIOLGSA-N 1 3 227.352 0.034 20 0 BCADHO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000629532743 361154541 /nfs/dbraw/zinc/15/45/41/361154541.db2.gz PKFGCALQFHNEOC-GRYCIOLGSA-N 1 3 227.352 0.034 20 0 BCADHO NC1(C(=O)N2CCCC3(CC[NH2+]CC3)C2)CC1 ZINC000368825597 181324617 /nfs/dbraw/zinc/32/46/17/181324617.db2.gz OKDLTWJKYWYVPD-UHFFFAOYSA-N 1 3 237.347 0.470 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC[C@@H]1COCCN1C ZINC000629532826 361156022 /nfs/dbraw/zinc/15/60/22/361156022.db2.gz VGVZTNUWQUANRL-HBNTYKKESA-N 1 3 215.341 0.032 20 0 BCADHO C[C@H](O)CCN(C)C[C@@H]1CCC[NH2+]C1 ZINC000158589213 361205422 /nfs/dbraw/zinc/20/54/22/361205422.db2.gz NFEATJYFRUDVGC-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO COC[C@H](O)CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000579103825 366710041 /nfs/dbraw/zinc/71/00/41/366710041.db2.gz UXUHOSPDLBXANO-CHWSQXEVSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@H](O)CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000579103825 366710046 /nfs/dbraw/zinc/71/00/46/366710046.db2.gz UXUHOSPDLBXANO-CHWSQXEVSA-N 1 3 244.379 0.704 20 0 BCADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000579103825 366710050 /nfs/dbraw/zinc/71/00/50/366710050.db2.gz UXUHOSPDLBXANO-CHWSQXEVSA-N 1 3 244.379 0.704 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428439905 201017141 /nfs/dbraw/zinc/01/71/41/201017141.db2.gz NAPBNRDVJIQSPD-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)N(CC)CC ZINC000428448342 201018761 /nfs/dbraw/zinc/01/87/61/201018761.db2.gz POWHPISUJQYZGR-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000622044523 370673076 /nfs/dbraw/zinc/67/30/76/370673076.db2.gz JBYMQHCDJQWYRT-IJLUTSLNSA-N 1 3 225.336 0.324 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2CN)C1 ZINC000622044523 370673079 /nfs/dbraw/zinc/67/30/79/370673079.db2.gz JBYMQHCDJQWYRT-IJLUTSLNSA-N 1 3 225.336 0.324 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000428728240 201037512 /nfs/dbraw/zinc/03/75/12/201037512.db2.gz KDMDZHYVYMECPY-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000429165253 201070389 /nfs/dbraw/zinc/07/03/89/201070389.db2.gz SHUKRAMJXDYTKW-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429165254 201070822 /nfs/dbraw/zinc/07/08/22/201070822.db2.gz SHUKRAMJXDYTKW-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428950102 201052693 /nfs/dbraw/zinc/05/26/93/201052693.db2.gz DDVVLYLHULQPSB-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CCNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429077093 201065395 /nfs/dbraw/zinc/06/53/95/201065395.db2.gz GJFDJZPDHBXFOO-AOOOYVTPSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000429101014 201065829 /nfs/dbraw/zinc/06/58/29/201065829.db2.gz VWPIFNYVKCPJIQ-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NCC1=CCCOC1 ZINC000379739501 361386897 /nfs/dbraw/zinc/38/68/97/361386897.db2.gz ZNQBGXOPSDHICA-CMPLNLGQSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@H]1CNCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000379739501 361386902 /nfs/dbraw/zinc/38/69/02/361386902.db2.gz ZNQBGXOPSDHICA-CMPLNLGQSA-N 1 3 210.321 0.921 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000429167624 201077595 /nfs/dbraw/zinc/07/75/95/201077595.db2.gz YQRPDQRAKPQQSN-GRYCIOLGSA-N 1 3 241.379 0.959 20 0 BCADHO CN(C)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000036757330 361395802 /nfs/dbraw/zinc/39/58/02/361395802.db2.gz BIKWNCBACOELBH-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CCO[C@@H](C[N@H+](C)C[C@H](O)CN)C1CC1 ZINC000629537317 361401143 /nfs/dbraw/zinc/40/11/43/361401143.db2.gz ORBOFOIFAYACIW-MNOVXSKESA-N 1 3 216.325 0.053 20 0 BCADHO CCO[C@@H](C[N@@H+](C)C[C@H](O)CN)C1CC1 ZINC000629537317 361401146 /nfs/dbraw/zinc/40/11/46/361401146.db2.gz ORBOFOIFAYACIW-MNOVXSKESA-N 1 3 216.325 0.053 20 0 BCADHO CCO[C@H](C[N@H+](C)C[C@@H](O)CN)C1CC1 ZINC000629537319 361401262 /nfs/dbraw/zinc/40/12/62/361401262.db2.gz ORBOFOIFAYACIW-WDEREUQCSA-N 1 3 216.325 0.053 20 0 BCADHO CCO[C@H](C[N@@H+](C)C[C@@H](O)CN)C1CC1 ZINC000629537319 361401263 /nfs/dbraw/zinc/40/12/63/361401263.db2.gz ORBOFOIFAYACIW-WDEREUQCSA-N 1 3 216.325 0.053 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000429313932 201098348 /nfs/dbraw/zinc/09/83/48/201098348.db2.gz GYEMARYCCQKBSY-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CN(C)C(=O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429562204 201115297 /nfs/dbraw/zinc/11/52/97/201115297.db2.gz YYFUTSVBQLYJQY-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CN(C)C(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429562204 201115298 /nfs/dbraw/zinc/11/52/98/201115298.db2.gz YYFUTSVBQLYJQY-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429562204 201115300 /nfs/dbraw/zinc/11/53/00/201115300.db2.gz YYFUTSVBQLYJQY-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CN1CCC(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000429590991 201121881 /nfs/dbraw/zinc/12/18/81/201121881.db2.gz PTUZGKUQZYZQDW-NSHDSACASA-N 1 3 225.336 0.182 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)CN(C)CCC ZINC000429623943 201123922 /nfs/dbraw/zinc/12/39/22/201123922.db2.gz KTLBFAHAHXOQSM-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1CC[NH2+][C@H]1C ZINC000629544307 361423094 /nfs/dbraw/zinc/42/30/94/361423094.db2.gz HNRDWOKEFXZMLG-WRWGMCAJSA-N 1 3 227.352 0.093 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC[NH2+]1 ZINC000579475694 366824252 /nfs/dbraw/zinc/82/42/52/366824252.db2.gz GKPLALQYHAEVBD-KXUCPTDWSA-N 1 3 227.352 0.617 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629556128 361448336 /nfs/dbraw/zinc/44/83/36/361448336.db2.gz KMLIQQBINDZTAG-FRRDWIJNSA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629556128 361448338 /nfs/dbraw/zinc/44/83/38/361448338.db2.gz KMLIQQBINDZTAG-FRRDWIJNSA-N 1 3 241.379 0.160 20 0 BCADHO CN(CCOCC[NH3+])Cc1cccc(N)c1 ZINC000629577189 361468022 /nfs/dbraw/zinc/46/80/22/361468022.db2.gz FQGQMPCUGJMSHG-UHFFFAOYSA-N 1 3 223.320 0.676 20 0 BCADHO OC[C@@H]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629584163 361469730 /nfs/dbraw/zinc/46/97/30/361469730.db2.gz QAYUQNNLCIYXEU-AGIUHOORSA-N 1 3 242.363 0.194 20 0 BCADHO C[C@H]([NH3+])C1CCN(CCN2CCCC2=O)CC1 ZINC000430947333 201159206 /nfs/dbraw/zinc/15/92/06/201159206.db2.gz DGGMOXNKJWBLFI-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(C)C ZINC000629612549 361498941 /nfs/dbraw/zinc/49/89/41/361498941.db2.gz DLVMBEFWBFIEEG-OUAUKWLOSA-N 1 3 225.336 0.004 20 0 BCADHO CC[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N(C)C ZINC000629612498 361499408 /nfs/dbraw/zinc/49/94/08/361499408.db2.gz DLPULAFFFLUOKT-NXEZZACHSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000629612820 361499457 /nfs/dbraw/zinc/49/94/57/361499457.db2.gz IJWMXDOBISQJJF-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000629610419 361500306 /nfs/dbraw/zinc/50/03/06/361500306.db2.gz CPBFLSMJDXCROP-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC000629610485 361500720 /nfs/dbraw/zinc/50/07/20/361500720.db2.gz DSCNYTZQSJGUEH-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)N(C)C ZINC000629611345 361501180 /nfs/dbraw/zinc/50/11/80/361501180.db2.gz RNTADYXDHKQGGW-ZJUUUORDSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)N(C)C ZINC000629611342 361501191 /nfs/dbraw/zinc/50/11/91/361501191.db2.gz RNTADYXDHKQGGW-NXEZZACHSA-N 1 3 213.325 0.147 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC)N(C)C ZINC000629611720 361501445 /nfs/dbraw/zinc/50/14/45/361501445.db2.gz BZDBHOOKCYHYNU-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)N(C)C ZINC000629614917 361503366 /nfs/dbraw/zinc/50/33/66/361503366.db2.gz KGVQPTGAXRWPMV-NTZNESFSSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)N(C)C ZINC000629614990 361503866 /nfs/dbraw/zinc/50/38/66/361503866.db2.gz RDBYUVBZJQMECD-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CO[C@H]1C[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000629615684 361504691 /nfs/dbraw/zinc/50/46/91/361504691.db2.gz NTPYHHBAMCJULS-DLOVCJGASA-N 1 3 228.336 0.209 20 0 BCADHO CO[C@H]1C[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000629615684 361504696 /nfs/dbraw/zinc/50/46/96/361504696.db2.gz NTPYHHBAMCJULS-DLOVCJGASA-N 1 3 228.336 0.209 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCN1C(=O)CCC1=O ZINC000433501692 201188604 /nfs/dbraw/zinc/18/86/04/201188604.db2.gz GBLNHUKAHVYDGR-GFCCVEGCSA-N 1 3 241.335 0.098 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000629613063 361506303 /nfs/dbraw/zinc/50/63/03/361506303.db2.gz KWSOZAQIWRVJPX-HBNTYKKESA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N(C)C ZINC000629614417 361509607 /nfs/dbraw/zinc/50/96/07/361509607.db2.gz JJRKGZHMQZBJDG-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)N(C)C ZINC000629614359 361509780 /nfs/dbraw/zinc/50/97/80/361509780.db2.gz HDDRQZYAROFELA-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCOC1CC(CN2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000309956858 491158856 /nfs/dbraw/zinc/15/88/56/491158856.db2.gz IREBULJTTNPAII-ZFQMDJOTSA-N 1 3 224.348 0.953 20 0 BCADHO CN(CCN1CC[NH2+]CC1)Cc1ccn(C)c1 ZINC000629651218 361555909 /nfs/dbraw/zinc/55/59/09/361555909.db2.gz CNTKDGYTFDPRDQ-UHFFFAOYSA-N 1 3 236.363 0.362 20 0 BCADHO CN1CCC(C(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000434694836 201234151 /nfs/dbraw/zinc/23/41/51/201234151.db2.gz WLEKMNCFZSUMMC-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000434682312 201235007 /nfs/dbraw/zinc/23/50/07/201235007.db2.gz VUJQZIQAQDETFM-ZYHUDNBSSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000153438574 201236680 /nfs/dbraw/zinc/23/66/80/201236680.db2.gz JJCJUQJASPOGIR-GRYCIOLGSA-N 1 3 241.379 0.781 20 0 BCADHO C[C@H](N)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000195158015 361639439 /nfs/dbraw/zinc/63/94/39/361639439.db2.gz GKTJZADZFFNCFZ-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](N)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000195158015 361639441 /nfs/dbraw/zinc/63/94/41/361639441.db2.gz GKTJZADZFFNCFZ-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000154588270 201284211 /nfs/dbraw/zinc/28/42/11/201284211.db2.gz JMJYSXAICQQBOT-WDEREUQCSA-N 1 3 229.368 0.544 20 0 BCADHO CCCC[C@H](COC)NC[C@@H](O)C[NH+](C)C ZINC000154329931 201274634 /nfs/dbraw/zinc/27/46/34/201274634.db2.gz RCHXPAOHYUAZHN-VXGBXAGGSA-N 1 3 232.368 0.704 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000155695545 201345340 /nfs/dbraw/zinc/34/53/40/201345340.db2.gz PVXFZGHFFQRGIC-SCVCMEIPSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000155695545 201345343 /nfs/dbraw/zinc/34/53/43/201345343.db2.gz PVXFZGHFFQRGIC-SCVCMEIPSA-N 1 3 241.379 0.959 20 0 BCADHO NCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000237949794 181349655 /nfs/dbraw/zinc/34/96/55/181349655.db2.gz JKCWTONBHJBJTH-NSHDSACASA-N 1 3 225.336 0.422 20 0 BCADHO CC(C)[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000037396003 363969921 /nfs/dbraw/zinc/96/99/21/363969921.db2.gz UUMYTDPPMFHYAX-UHFFFAOYSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[C@@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630606480 364329806 /nfs/dbraw/zinc/32/98/06/364329806.db2.gz YNFLEBCLTKIDEF-VHSXEESVSA-N 1 3 223.324 0.830 20 0 BCADHO CCC[C@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630606479 364330023 /nfs/dbraw/zinc/33/00/23/364330023.db2.gz YNFLEBCLTKIDEF-UWVGGRQHSA-N 1 3 223.324 0.830 20 0 BCADHO CC(C)(C)N1CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000631672200 364307890 /nfs/dbraw/zinc/30/78/90/364307890.db2.gz FKTBXWVAKVYCHB-NEPJUHHUSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@H]1CC[C@@H]([NH2+]C2CCN(C)CC2)CN1 ZINC000398975521 364401487 /nfs/dbraw/zinc/40/14/87/364401487.db2.gz YRAYLTOECQEJFM-CMPLNLGQSA-N 1 3 211.353 0.811 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000573325821 364800947 /nfs/dbraw/zinc/80/09/47/364800947.db2.gz SZYVWNYPVLHXAI-KXUCPTDWSA-N 1 3 227.352 0.603 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328187966 364817125 /nfs/dbraw/zinc/81/71/25/364817125.db2.gz OPDRJIUDXFFHGY-TUAOUCFPSA-N 1 3 212.337 0.961 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000328187966 364817130 /nfs/dbraw/zinc/81/71/30/364817130.db2.gz OPDRJIUDXFFHGY-TUAOUCFPSA-N 1 3 212.337 0.961 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000573441976 364834384 /nfs/dbraw/zinc/83/43/84/364834384.db2.gz QPWHTGBBKNVUBB-MNOVXSKESA-N 1 3 227.352 0.476 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000573447195 364835478 /nfs/dbraw/zinc/83/54/78/364835478.db2.gz BFDJADRTJMQATN-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO [NH3+]CCCC(=O)NCCN1CCCCC1 ZINC000049575492 181372163 /nfs/dbraw/zinc/37/21/63/181372163.db2.gz IBNNFLBOPHPJMK-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO [NH3+]CCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726747 181372510 /nfs/dbraw/zinc/37/25/10/181372510.db2.gz SUOAUHSTMZGWGL-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000573815696 364920740 /nfs/dbraw/zinc/92/07/40/364920740.db2.gz UBKKYKWKUITGOA-WPRPVWTQSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CC2)CCN1C ZINC000573962618 364954941 /nfs/dbraw/zinc/95/49/41/364954941.db2.gz LYHRFDBTUFYFGP-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CCCCNC(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000573966978 364956418 /nfs/dbraw/zinc/95/64/18/364956418.db2.gz ICUYJYJSEPXMMC-LBPRGKRZSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000554134843 325708280 /nfs/dbraw/zinc/70/82/80/325708280.db2.gz SUGRZBMCZUUYGI-QJPTWQEYSA-N 1 3 241.379 0.926 20 0 BCADHO CNC[C@](C)(O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000574284210 365029376 /nfs/dbraw/zinc/02/93/76/365029376.db2.gz PGNSQXUNFJHCHB-UTUOFQBUSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000574284210 365029382 /nfs/dbraw/zinc/02/93/82/365029382.db2.gz PGNSQXUNFJHCHB-UTUOFQBUSA-N 1 3 214.353 0.935 20 0 BCADHO CC[NH2+]CCCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000574548910 365087936 /nfs/dbraw/zinc/08/79/36/365087936.db2.gz UIBQRNYMKHPAGW-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCN1 ZINC000574638815 365105751 /nfs/dbraw/zinc/10/57/51/365105751.db2.gz LKEHTVMRNSYUIF-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCCCN1 ZINC000574638817 365107649 /nfs/dbraw/zinc/10/76/49/365107649.db2.gz LKEHTVMRNSYUIF-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO NCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000044365016 181397927 /nfs/dbraw/zinc/39/79/27/181397927.db2.gz XKFQWRBTGQQPEP-CQSZACIVSA-N 1 3 233.359 0.852 20 0 BCADHO CN[C@@H](C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000574650537 365113725 /nfs/dbraw/zinc/11/37/25/365113725.db2.gz CJONWIIZRUSOEQ-WPRPVWTQSA-N 1 3 248.330 0.444 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@H]2C1 ZINC000574689498 365121250 /nfs/dbraw/zinc/12/12/50/365121250.db2.gz JVKNFRXJFDQDJP-SRVKXCTJSA-N 1 3 237.347 0.149 20 0 BCADHO O=C(CNC1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000574875547 365165410 /nfs/dbraw/zinc/16/54/10/365165410.db2.gz SEFLHZZLYUHXBR-UHFFFAOYSA-N 1 3 223.320 0.093 20 0 BCADHO CNC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000574881292 365166137 /nfs/dbraw/zinc/16/61/37/365166137.db2.gz DQIJTAOZVXCGKF-SRVKXCTJSA-N 1 3 230.352 0.362 20 0 BCADHO C[NH2+]C[C@](C)(O)CN[C@@H](C)[C@H]1CCCOC1 ZINC000574881292 365166139 /nfs/dbraw/zinc/16/61/39/365166139.db2.gz DQIJTAOZVXCGKF-SRVKXCTJSA-N 1 3 230.352 0.362 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000379777058 365203320 /nfs/dbraw/zinc/20/33/20/365203320.db2.gz DLFBOCFHWBWHQW-SSDOTTSWSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000575122263 365211079 /nfs/dbraw/zinc/21/10/79/365211079.db2.gz FBNOQJRCJYOQOT-DCAQKATOSA-N 1 3 227.352 0.474 20 0 BCADHO C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000575124872 365212623 /nfs/dbraw/zinc/21/26/23/365212623.db2.gz KVVDKKZURRYZIL-HBNTYKKESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000444166017 193039590 /nfs/dbraw/zinc/03/95/90/193039590.db2.gz AUOCLZPORVFSPF-HBNTYKKESA-N 1 3 223.320 0.043 20 0 BCADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCN1 ZINC000444167306 193040456 /nfs/dbraw/zinc/04/04/56/193040456.db2.gz LMRRWFBRNSNWKV-AXFHLTTASA-N 1 3 223.320 0.091 20 0 BCADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCN1 ZINC000444167306 193040458 /nfs/dbraw/zinc/04/04/58/193040458.db2.gz LMRRWFBRNSNWKV-AXFHLTTASA-N 1 3 223.320 0.091 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1CCCCN1 ZINC000444267688 193043303 /nfs/dbraw/zinc/04/33/03/193043303.db2.gz UEYRPIHKNYUHPA-MNOVXSKESA-N 1 3 225.336 0.387 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000444269718 193043451 /nfs/dbraw/zinc/04/34/51/193043451.db2.gz MAGMWZFKCRNAIG-HBNTYKKESA-N 1 3 225.336 0.289 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C)CN1 ZINC000444265854 193043691 /nfs/dbraw/zinc/04/36/91/193043691.db2.gz RWLXTQXNHKPMBZ-MPPDQPJWSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C)CN1 ZINC000444265847 193044036 /nfs/dbraw/zinc/04/40/36/193044036.db2.gz RWLXTQXNHKPMBZ-BLFANLJRSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+]2)CCN1C ZINC000444269716 193044126 /nfs/dbraw/zinc/04/41/26/193044126.db2.gz MAGMWZFKCRNAIG-GMTAPVOTSA-N 1 3 225.336 0.289 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000575916364 365411660 /nfs/dbraw/zinc/41/16/60/365411660.db2.gz DVJQYVFIIZLJGA-TUAOUCFPSA-N 1 3 241.379 0.641 20 0 BCADHO [NH3+]CCC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000575997961 365441948 /nfs/dbraw/zinc/44/19/48/365441948.db2.gz ARKSPEGWMGOUAF-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@]1(NC[C@@H](O)C[N@H+](C)C2CC2)CCOC1 ZINC000383085024 541513687 /nfs/dbraw/zinc/51/36/87/541513687.db2.gz JWMVNTCQNAQVIO-OLZOCXBDSA-N 1 3 242.363 0.600 20 0 BCADHO CC[C@]1(NC[C@@H](O)C[N@@H+](C)C2CC2)CCOC1 ZINC000383085024 541513690 /nfs/dbraw/zinc/51/36/90/541513690.db2.gz JWMVNTCQNAQVIO-OLZOCXBDSA-N 1 3 242.363 0.600 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)C1CCC1 ZINC000579709124 366986669 /nfs/dbraw/zinc/98/66/69/366986669.db2.gz WQZGUAMNRREDKW-PSASIEDQSA-N 1 3 213.325 0.086 20 0 BCADHO C[NH2+]CCC(=O)Nc1cccc2c1CCNC2 ZINC000579710539 366987998 /nfs/dbraw/zinc/98/79/98/366987998.db2.gz JUCIRZCKZTXPMB-UHFFFAOYSA-N 1 3 233.315 0.880 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000579714080 366989553 /nfs/dbraw/zinc/98/95/53/366989553.db2.gz UXQMPRHUSJSFBJ-AOOOYVTPSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)CC2(C[NH3+])CC2)C1 ZINC000579838025 367041150 /nfs/dbraw/zinc/04/11/50/367041150.db2.gz DQAQLGPGDLKJOA-LLVKDONJSA-N 1 3 239.363 0.573 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1CC ZINC000580773538 367162546 /nfs/dbraw/zinc/16/25/46/367162546.db2.gz OIRAMAHZMOTASU-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000580783376 367164931 /nfs/dbraw/zinc/16/49/31/367164931.db2.gz IKDWKPHRFLABGU-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO NC1(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000581126573 367270521 /nfs/dbraw/zinc/27/05/21/367270521.db2.gz SYVLGUODJZJUBI-JTQLQIEISA-N 1 3 231.299 0.394 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CC(F)F ZINC000581010448 367233865 /nfs/dbraw/zinc/23/38/65/367233865.db2.gz ICGGGFXATADWNY-ZETCQYMHSA-N 1 3 237.294 0.603 20 0 BCADHO FC(F)[C@@H]1CNCCN1CC[C@@H]1CC[NH2+]C1 ZINC000581311178 367339505 /nfs/dbraw/zinc/33/95/05/367339505.db2.gz MAJWEXBSXPUUJV-UWVGGRQHSA-N 1 3 233.306 0.525 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](N)C(C)(C)C ZINC000581252478 367310425 /nfs/dbraw/zinc/31/04/25/367310425.db2.gz USFLCQXCXFXLOI-KXUCPTDWSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+](CC)C(C)C ZINC000381436500 367402938 /nfs/dbraw/zinc/40/29/38/367402938.db2.gz CVJXLITXOWGHAF-JTQLQIEISA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+](CC)C(C)C ZINC000381436500 367402942 /nfs/dbraw/zinc/40/29/42/367402942.db2.gz CVJXLITXOWGHAF-JTQLQIEISA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](COC)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000381215492 367364850 /nfs/dbraw/zinc/36/48/50/367364850.db2.gz FTKLRXANHPHARI-JQWIXIFHSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@@H](COC)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000381215492 367364856 /nfs/dbraw/zinc/36/48/56/367364856.db2.gz FTKLRXANHPHARI-JQWIXIFHSA-N 1 3 230.352 0.456 20 0 BCADHO C[NH+](C)C/C=C/C(=O)N1CCNC(C)(C)C1 ZINC000381767339 367455311 /nfs/dbraw/zinc/45/53/11/367455311.db2.gz VLBBXNFOQOBUKZ-AATRIKPKSA-N 1 3 225.336 0.315 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000382949220 367571223 /nfs/dbraw/zinc/57/12/23/367571223.db2.gz LDYGGYYZANJHTP-NSHDSACASA-N 1 3 241.379 0.927 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@@H](C)NC2CC2)CC1 ZINC000382947528 367571930 /nfs/dbraw/zinc/57/19/30/367571930.db2.gz KQBMASGEOURQDY-SNVBAGLBSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)NC1CC1 ZINC000382979682 367579852 /nfs/dbraw/zinc/57/98/52/367579852.db2.gz UBBALRASEQVEPK-NXEZZACHSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)N1CCCNCC1 ZINC000581597645 367623002 /nfs/dbraw/zinc/62/30/02/367623002.db2.gz LDBZRAMVHBOHFB-UHFFFAOYSA-N 1 3 242.367 0.379 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000383380116 367617587 /nfs/dbraw/zinc/61/75/87/367617587.db2.gz PQCFPKAZFCCEAV-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000383380116 367617589 /nfs/dbraw/zinc/61/75/89/367617589.db2.gz PQCFPKAZFCCEAV-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO COC[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000383600686 367643007 /nfs/dbraw/zinc/64/30/07/367643007.db2.gz QCZWVLGCFBNUSA-STQMWFEESA-N 1 3 244.379 0.702 20 0 BCADHO COC[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000383600686 367643012 /nfs/dbraw/zinc/64/30/12/367643012.db2.gz QCZWVLGCFBNUSA-STQMWFEESA-N 1 3 244.379 0.702 20 0 BCADHO C[C@H](CCN(C)C)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000383644575 367646477 /nfs/dbraw/zinc/64/64/77/367646477.db2.gz CDKUAMJBUBDWQD-YPMHNXCESA-N 1 3 243.395 0.371 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](C)NC1CC1 ZINC000566203297 326012443 /nfs/dbraw/zinc/01/24/43/326012443.db2.gz DQWHPCQLZOMSSF-VIFPVBQESA-N 1 3 213.325 0.243 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000581883417 367874307 /nfs/dbraw/zinc/87/43/07/367874307.db2.gz FLQDJYCHFJCABG-HBNTYKKESA-N 1 3 227.352 0.603 20 0 BCADHO COC[C@H](C)C[NH2+]C[C@@H]1CCCNC1 ZINC000087647035 367949135 /nfs/dbraw/zinc/94/91/35/367949135.db2.gz GUVXRXVIEWWPQA-GHMZBOCLSA-N 1 3 200.326 0.858 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386620884 368003443 /nfs/dbraw/zinc/00/34/43/368003443.db2.gz YEFAKYWGYIPQPM-IJLUTSLNSA-N 1 3 230.352 0.504 20 0 BCADHO CC[C@H](C(=O)N1CC(C[NH+](C)C)C1)N(C)C ZINC000615503994 368079334 /nfs/dbraw/zinc/07/93/34/368079334.db2.gz LKXWXKROWNEUSQ-LLVKDONJSA-N 1 3 227.352 0.347 20 0 BCADHO CC[C@@H](C(=O)N1CC(C[NH+](C)C)C1)N(C)C ZINC000615503995 368079358 /nfs/dbraw/zinc/07/93/58/368079358.db2.gz LKXWXKROWNEUSQ-NSHDSACASA-N 1 3 227.352 0.347 20 0 BCADHO O=C([C@H]1CCCCC[NH2+]1)N1CCCNCC1 ZINC000080993988 368564024 /nfs/dbraw/zinc/56/40/24/368564024.db2.gz SLLPMVGPDJHSPU-LLVKDONJSA-N 1 3 225.336 0.341 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154020604 326125811 /nfs/dbraw/zinc/12/58/11/326125811.db2.gz XEPXWDWYHNHZFK-ZNSHCXBVSA-N 1 3 227.352 0.569 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000085283352 368864854 /nfs/dbraw/zinc/86/48/54/368864854.db2.gz CLDIMBXVPURQPP-GRYCIOLGSA-N 1 3 210.321 0.707 20 0 BCADHO CN(C)C(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000086403304 368879947 /nfs/dbraw/zinc/87/99/47/368879947.db2.gz GZQOVOLCUWRJMA-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C)C(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000086403304 368879953 /nfs/dbraw/zinc/87/99/53/368879953.db2.gz GZQOVOLCUWRJMA-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000084384578 368853226 /nfs/dbraw/zinc/85/32/26/368853226.db2.gz SFYDZIZYWAJHJW-GFCCVEGCSA-N 1 3 211.353 0.624 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@H]2CCO[C@H]2C)C[C@H]1CN ZINC000631828995 369003779 /nfs/dbraw/zinc/00/37/79/369003779.db2.gz DGKCEUVWELMZTJ-UMSGYPCISA-N 1 3 242.363 0.707 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@H]2CCO[C@H]2C)C[C@H]1CN ZINC000631828995 369003784 /nfs/dbraw/zinc/00/37/84/369003784.db2.gz DGKCEUVWELMZTJ-UMSGYPCISA-N 1 3 242.363 0.707 20 0 BCADHO C[C@@H]1CN(CCOC2CCOCC2)C[C@H]1C[NH3+] ZINC000631837539 369098538 /nfs/dbraw/zinc/09/85/38/369098538.db2.gz TUPHMPOYOWPGRN-VXGBXAGGSA-N 1 3 242.363 0.709 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NC[C@H](C)[NH+](C)C ZINC000458750849 203194899 /nfs/dbraw/zinc/19/48/99/203194899.db2.gz FSAQJDZTXKTSKU-UWVGGRQHSA-N 1 3 230.356 0.186 20 0 BCADHO COCCN1CC[C@H](NCCC[NH2+]C(C)C)C1 ZINC000567639278 326236645 /nfs/dbraw/zinc/23/66/45/326236645.db2.gz DHTVFERFWOMCCQ-ZDUSSCGKSA-N 1 3 243.395 0.685 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNCCC(N)=O)C1 ZINC000567685194 326244720 /nfs/dbraw/zinc/24/47/20/326244720.db2.gz XDLNMOPTZAKMAT-LLVKDONJSA-N 1 3 227.352 0.429 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(N)=O)C1 ZINC000567685194 326244718 /nfs/dbraw/zinc/24/47/18/326244718.db2.gz XDLNMOPTZAKMAT-LLVKDONJSA-N 1 3 227.352 0.429 20 0 BCADHO CCOC(=O)CCN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000404905639 369438174 /nfs/dbraw/zinc/43/81/74/369438174.db2.gz ROMYLLLROYFRBR-BDAKNGLRSA-N 1 3 214.309 0.655 20 0 BCADHO CCOC(=O)CC[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000404905639 369438178 /nfs/dbraw/zinc/43/81/78/369438178.db2.gz ROMYLLLROYFRBR-BDAKNGLRSA-N 1 3 214.309 0.655 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000404952062 369440109 /nfs/dbraw/zinc/44/01/09/369440109.db2.gz JBQXDTWQWUGFMH-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1CN(C)C ZINC000404969932 369440862 /nfs/dbraw/zinc/44/08/62/369440862.db2.gz KMQCNHPCLUTCIU-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CCCC2=O)CC[N@@H+]1C ZINC000405427177 369460222 /nfs/dbraw/zinc/46/02/22/369460222.db2.gz HWZJCMGKDWSAPI-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@@H]1C[C@H](NCCN2CCCC2=O)CC[N@H+]1C ZINC000405427177 369460227 /nfs/dbraw/zinc/46/02/27/369460227.db2.gz HWZJCMGKDWSAPI-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H]1CCN(CCn2cccn2)C[C@H]1C[NH3+] ZINC000253237565 370167790 /nfs/dbraw/zinc/16/77/90/370167790.db2.gz PAECRHUXAXVWOQ-NWDGAFQWSA-N 1 3 222.336 0.800 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684503 370434805 /nfs/dbraw/zinc/43/48/05/370434805.db2.gz NIMLWGATBSDWNQ-RNSXUZJQSA-N 1 3 247.289 0.309 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621693578 370439876 /nfs/dbraw/zinc/43/98/76/370439876.db2.gz YDWKPPNDACBFIF-YPMHNXCESA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)c1cccc2c1CCNC2 ZINC000621703300 370451550 /nfs/dbraw/zinc/45/15/50/370451550.db2.gz ITSZVDLYMHWERJ-JTQLQIEISA-N 1 3 247.342 0.799 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690548 370438867 /nfs/dbraw/zinc/43/88/67/370438867.db2.gz VVCIDAKGUUTPGH-AAEUAGOBSA-N 1 3 239.363 0.668 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621690153 370438886 /nfs/dbraw/zinc/43/88/86/370438886.db2.gz QFQRTKJRZCUBLI-AAEUAGOBSA-N 1 3 239.363 0.668 20 0 BCADHO CCn1cc(CCN2CC[C@H](C[NH3+])C2)cn1 ZINC000621774408 370519925 /nfs/dbraw/zinc/51/99/25/370519925.db2.gz SRCSGNXZKCISJH-LLVKDONJSA-N 1 3 222.336 0.726 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000114400268 370557449 /nfs/dbraw/zinc/55/74/49/370557449.db2.gz CXBNLFOOUBVIHR-NEPJUHHUSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000568516810 326362323 /nfs/dbraw/zinc/36/23/23/326362323.db2.gz OQPNGCDXNKJFRR-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000568621818 326368076 /nfs/dbraw/zinc/36/80/76/326368076.db2.gz LBSIISGNQQVREC-YPMHNXCESA-N 1 3 242.363 0.624 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000568987039 326385121 /nfs/dbraw/zinc/38/51/21/326385121.db2.gz WUWWXALSZZWTSH-FDDDBJFASA-N 1 3 249.305 0.472 20 0 BCADHO CN[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572734519 326408002 /nfs/dbraw/zinc/40/80/02/326408002.db2.gz AYQCETFIJWDDKI-GKDVJIACSA-N 1 3 225.336 0.336 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120198 371318977 /nfs/dbraw/zinc/31/89/77/371318977.db2.gz UHPCJRNVALJYSH-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624120198 371318983 /nfs/dbraw/zinc/31/89/83/371318983.db2.gz UHPCJRNVALJYSH-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624120198 371318992 /nfs/dbraw/zinc/31/89/92/371318992.db2.gz UHPCJRNVALJYSH-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000572780232 326410680 /nfs/dbraw/zinc/41/06/80/326410680.db2.gz DKHHASSGPZNYNJ-GXSJLCMTSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120196 371320026 /nfs/dbraw/zinc/32/00/26/371320026.db2.gz UHPCJRNVALJYSH-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CC(N)=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624120196 371320029 /nfs/dbraw/zinc/32/00/29/371320029.db2.gz UHPCJRNVALJYSH-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H](CC(N)=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120196 371320034 /nfs/dbraw/zinc/32/00/34/371320034.db2.gz UHPCJRNVALJYSH-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2COCCN2C)CC[N@@H+]1C ZINC000624174262 371365042 /nfs/dbraw/zinc/36/50/42/371365042.db2.gz UVCCXYHPXAQQDR-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2COCCN2C)CC[N@H+]1C ZINC000624174262 371365043 /nfs/dbraw/zinc/36/50/43/371365043.db2.gz UVCCXYHPXAQQDR-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO Cc1nccnc1CN1CCC(C[NH3+])CC1 ZINC000631821181 372595488 /nfs/dbraw/zinc/59/54/88/372595488.db2.gz QVDXETHGGOWQEM-UHFFFAOYSA-N 1 3 220.320 0.956 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCc3ncnn32)C1 ZINC000631822252 372598775 /nfs/dbraw/zinc/59/87/75/372598775.db2.gz XVXBTSSXZSFDLC-TUAOUCFPSA-N 1 3 249.362 0.825 20 0 BCADHO CN(C[C@H]1CCc2ncnn21)[C@H]1CCC[NH2+]CC1 ZINC000631823454 372600116 /nfs/dbraw/zinc/60/01/16/372600116.db2.gz FDFOJRNHSOAOMH-NWDGAFQWSA-N 1 3 249.362 0.839 20 0 BCADHO C[C@@H]1OCC[C@H]1CNC1(CO)CC[NH2+]CC1 ZINC000631829486 372610352 /nfs/dbraw/zinc/61/03/52/372610352.db2.gz RIMYQELMCDSSKB-QWRGUYRKSA-N 1 3 228.336 0.116 20 0 BCADHO [NH3+][C@H]1CCCCCN(C[C@H]2CNCCO2)C1 ZINC000631835063 372620270 /nfs/dbraw/zinc/62/02/70/372620270.db2.gz LMJRZIRLLKXXDU-NWDGAFQWSA-N 1 3 227.352 0.178 20 0 BCADHO C[C@@H]1CN(CCc2cnn(C)c2)C[C@H]1C[NH3+] ZINC000631837740 372629756 /nfs/dbraw/zinc/62/97/56/372629756.db2.gz DSMXOYCIZOHLEP-ZYHUDNBSSA-N 1 3 222.336 0.489 20 0 BCADHO COCC[C@H](C)[N@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839221 372633982 /nfs/dbraw/zinc/63/39/82/372633982.db2.gz BZTCCDBVFMCMRV-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[C@H](C)[N@@H+]1C[C@@H](CN)[C@H](C)C1 ZINC000631839221 372633987 /nfs/dbraw/zinc/63/39/87/372633987.db2.gz BZTCCDBVFMCMRV-OUAUKWLOSA-N 1 3 200.326 0.938 20 0 BCADHO OCC[NH2+]C1CCN(CC2CCC2)CC1 ZINC000631862977 372665256 /nfs/dbraw/zinc/66/52/56/372665256.db2.gz VSYJHRODHOYZDR-UHFFFAOYSA-N 1 3 212.337 0.833 20 0 BCADHO COCCCC[NH+]1CCC(NCCO)CC1 ZINC000631864788 372666711 /nfs/dbraw/zinc/66/67/11/372666711.db2.gz VVEVPEFHZOQTMI-UHFFFAOYSA-N 1 3 230.352 0.459 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC(C)(F)CC1 ZINC000631866972 372668398 /nfs/dbraw/zinc/66/83/98/372668398.db2.gz FOEXPUFOPSACTL-LLVKDONJSA-N 1 3 218.316 0.781 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418388714 206018157 /nfs/dbraw/zinc/01/81/57/206018157.db2.gz NLJFTQBBKVAHQT-HBNTYKKESA-N 1 3 242.367 0.234 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])N1CCCC[C@@H]1C ZINC000424129668 206033682 /nfs/dbraw/zinc/03/36/82/206033682.db2.gz GJVGWLNDALQWTP-YFKTTZPYSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000178406947 134310267 /nfs/dbraw/zinc/31/02/67/134310267.db2.gz MUCAYRYJAHVLEL-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO OCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250830296 183079725 /nfs/dbraw/zinc/07/97/25/183079725.db2.gz IVFHBQQDANQSIB-QJPTWQEYSA-N 1 3 212.337 0.879 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000377150265 169002766 /nfs/dbraw/zinc/00/27/66/169002766.db2.gz FGHSMFNHYRMHOO-KOLCDFICSA-N 1 3 231.315 0.322 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353380739 169005907 /nfs/dbraw/zinc/00/59/07/169005907.db2.gz DCNGXJPKFFOFRZ-SRVKXCTJSA-N 1 3 239.363 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000309000699 169007347 /nfs/dbraw/zinc/00/73/47/169007347.db2.gz OAXLELRBKWJLJT-IUCAKERBSA-N 1 3 201.314 0.357 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H](C)[NH2+]C ZINC000308999460 169007722 /nfs/dbraw/zinc/00/77/22/169007722.db2.gz NONAHNWUYNYSJP-IUCAKERBSA-N 1 3 201.314 0.228 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H](C)[NH2+]C ZINC000308999457 169007725 /nfs/dbraw/zinc/00/77/25/169007725.db2.gz NONAHNWUYNYSJP-BDAKNGLRSA-N 1 3 201.314 0.228 20 0 BCADHO CCCC[C@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000309091871 169007744 /nfs/dbraw/zinc/00/77/44/169007744.db2.gz BLGLUTWDGBWYLC-IUCAKERBSA-N 1 3 201.314 0.357 20 0 BCADHO CCC[N@H+](C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356394883 169068787 /nfs/dbraw/zinc/06/87/87/169068787.db2.gz PSYDTDHNQBZKJB-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356394883 169068789 /nfs/dbraw/zinc/06/87/89/169068789.db2.gz PSYDTDHNQBZKJB-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000356394883 169068791 /nfs/dbraw/zinc/06/87/91/169068791.db2.gz PSYDTDHNQBZKJB-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)NCC[NH2+]C(C)(C)C ZINC000310022250 169069927 /nfs/dbraw/zinc/06/99/27/169069927.db2.gz NXOIZCJZLJPJMR-UHFFFAOYSA-N 1 3 229.368 0.833 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341310601 169070268 /nfs/dbraw/zinc/07/02/68/169070268.db2.gz ZLFQUZRCIUOQGG-LLVKDONJSA-N 1 3 229.368 0.642 20 0 BCADHO CCCN(C)CC(=O)NCC(C)(C)[NH3+] ZINC000309609528 169070607 /nfs/dbraw/zinc/07/06/07/169070607.db2.gz MHHDOSGTUPZZJL-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CCCN(C)CC(=O)NCCC[NH2+]C ZINC000336718597 169070881 /nfs/dbraw/zinc/07/08/81/169070881.db2.gz XKMCJPRELIYZNQ-UHFFFAOYSA-N 1 3 201.314 0.054 20 0 BCADHO CCCN(C)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000359314619 169073462 /nfs/dbraw/zinc/07/34/62/169073462.db2.gz DPUDZCJBNXGBBO-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000355601598 169075612 /nfs/dbraw/zinc/07/56/12/169075612.db2.gz ZRWNNUZSTJLNOY-LLVKDONJSA-N 1 3 229.368 0.785 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)C(C)(C)N ZINC000226406876 169121038 /nfs/dbraw/zinc/12/10/38/169121038.db2.gz DHTREQYAPJUJAD-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)C(C)(C)N ZINC000226406876 169121040 /nfs/dbraw/zinc/12/10/40/169121040.db2.gz DHTREQYAPJUJAD-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)C1(N)CC1 ZINC000226406818 169121047 /nfs/dbraw/zinc/12/10/47/169121047.db2.gz WYDUOHOIELTPSG-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)C1(N)CC1 ZINC000226406818 169121050 /nfs/dbraw/zinc/12/10/50/169121050.db2.gz WYDUOHOIELTPSG-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CCCN1CCC([NH2+]C[C@H](O)CN(C)C)CC1 ZINC000049555208 169187788 /nfs/dbraw/zinc/18/77/88/169187788.db2.gz CRMQBDFHUYDWBU-ZDUSSCGKSA-N 1 3 243.395 0.373 20 0 BCADHO CCC[NH+]1CCC(N[C@H]2CCC(=O)NC2)CC1 ZINC000111018491 169190134 /nfs/dbraw/zinc/19/01/34/169190134.db2.gz GBDYVFYRTJJYCL-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[NH+]1CCC(N[C@@H](C)CO)CC1 ZINC000035603648 169190371 /nfs/dbraw/zinc/19/03/71/169190371.db2.gz HDVQBQZZACARKK-JTQLQIEISA-N 1 3 200.326 0.831 20 0 BCADHO c1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)ccn1 ZINC000077403802 183346154 /nfs/dbraw/zinc/34/61/54/183346154.db2.gz DGCZLMCTOTVFGY-AWEZNQCLSA-N 1 3 246.358 0.561 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)Cc1ccccc1 ZINC000236783064 169258050 /nfs/dbraw/zinc/25/80/50/169258050.db2.gz ALUQCKFLZAIRIO-ZDUSSCGKSA-N 1 3 249.358 0.672 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000224295222 169241521 /nfs/dbraw/zinc/24/15/21/169241521.db2.gz KJOIJGQWUCKJRC-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC(C[NH2+]C)CC1 ZINC000063166177 169245867 /nfs/dbraw/zinc/24/58/67/169245867.db2.gz VQPWCLHXSYSBQJ-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]1C[C@@H](N(C)C(=O)CCC[NH3+])CCN1C ZINC000178816131 134315514 /nfs/dbraw/zinc/31/55/14/134315514.db2.gz SMDSNDWVJDQHSV-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@@H](N)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000364646821 169386394 /nfs/dbraw/zinc/38/63/94/169386394.db2.gz NWMFDAGBHWYOOT-WDEREUQCSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000178818582 134315724 /nfs/dbraw/zinc/31/57/24/134315724.db2.gz VTEVNAGCTAXDQD-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815746 134315917 /nfs/dbraw/zinc/31/59/17/134315917.db2.gz ZMLYDHBTEYQVGX-VWYCJHECSA-N 1 3 227.352 0.665 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309474385 169391848 /nfs/dbraw/zinc/39/18/48/169391848.db2.gz RPMIYGFLTCBJOD-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000038089328 169501374 /nfs/dbraw/zinc/50/13/74/169501374.db2.gz VYYOGWPNJYLODT-IUCAKERBSA-N 1 3 201.314 0.180 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000226397493 169841818 /nfs/dbraw/zinc/84/18/18/169841818.db2.gz PPQRAZYIAGHRTB-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000648124827 383851718 /nfs/dbraw/zinc/85/17/18/383851718.db2.gz CXLAJNZRLBVHID-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)C1(N)CCC1 ZINC000449335720 383884669 /nfs/dbraw/zinc/88/46/69/383884669.db2.gz JZFFXFZIQMIRAP-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)C1(N)CCC1 ZINC000449335720 383884673 /nfs/dbraw/zinc/88/46/73/383884673.db2.gz JZFFXFZIQMIRAP-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[NH+]1CCC(CNCc2cncnc2)CC1 ZINC000054768156 383978739 /nfs/dbraw/zinc/97/87/39/383978739.db2.gz IEYDUNTWGKWYIK-UHFFFAOYSA-N 1 3 220.320 0.908 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)N(C)C ZINC000300055630 383972447 /nfs/dbraw/zinc/97/24/47/383972447.db2.gz JASZTQHZGCOSBE-GMTAPVOTSA-N 1 3 227.352 0.441 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186830271 384026807 /nfs/dbraw/zinc/02/68/07/384026807.db2.gz RUCUIRFNAMFXMQ-WDEREUQCSA-N 1 3 227.352 0.441 20 0 BCADHO Cc1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc[nH+]1 ZINC000518564856 384015645 /nfs/dbraw/zinc/01/56/45/384015645.db2.gz YKQMKEPDYPSEEP-VXGBXAGGSA-N 1 3 246.314 0.138 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000449381372 384099817 /nfs/dbraw/zinc/09/98/17/384099817.db2.gz RSWFMIDGLQJYMJ-VPOLOUISSA-N 1 3 225.336 0.051 20 0 BCADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCCN1C)C1CC1 ZINC000310226251 384127842 /nfs/dbraw/zinc/12/78/42/384127842.db2.gz GVPFZPCPERZOSH-OLZOCXBDSA-N 1 3 241.379 0.125 20 0 BCADHO CC(C)([NH3+])CCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000648140609 384168715 /nfs/dbraw/zinc/16/87/15/384168715.db2.gz BSQOCRNYVCPDPS-IUCAKERBSA-N 1 3 231.315 0.320 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000163247597 384189737 /nfs/dbraw/zinc/18/97/37/384189737.db2.gz SWMKWZCZBIUQNE-GWCFXTLKSA-N 1 3 247.342 0.955 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@H]1NCC1(C)C ZINC000644164986 384243527 /nfs/dbraw/zinc/24/35/27/384243527.db2.gz VOUBMRFLQHOTRI-MRVPVSSYSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000569574460 384268256 /nfs/dbraw/zinc/26/82/56/384268256.db2.gz DMFCGNQPADVTIQ-GHMZBOCLSA-N 1 3 239.363 0.775 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000516925445 384309082 /nfs/dbraw/zinc/30/90/82/384309082.db2.gz REFMGVISOZUSAL-IEBDPFPHSA-N 1 3 225.336 0.228 20 0 BCADHO COC[C@@H]([NH2+]C1CCNCC1)C(C)C ZINC000083397977 384294256 /nfs/dbraw/zinc/29/42/56/384294256.db2.gz KKUSIBAGWJNUOZ-LLVKDONJSA-N 1 3 200.326 0.999 20 0 BCADHO COC[C@@H](NC1CC[NH2+]CC1)C(C)C ZINC000083397977 384294258 /nfs/dbraw/zinc/29/42/58/384294258.db2.gz KKUSIBAGWJNUOZ-LLVKDONJSA-N 1 3 200.326 0.999 20 0 BCADHO CN(C(=O)C1(N)CC1)C1CC[NH+](C)CC1 ZINC000083833867 384335853 /nfs/dbraw/zinc/33/58/53/384335853.db2.gz BPHLMRVNXVZNKU-UHFFFAOYSA-N 1 3 211.309 0.030 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(N)CC1 ZINC000083833932 384336384 /nfs/dbraw/zinc/33/63/84/384336384.db2.gz UPDBUKBQHGEESM-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNC(=O)C1(N)CC1 ZINC000083833932 384336391 /nfs/dbraw/zinc/33/63/91/384336391.db2.gz UPDBUKBQHGEESM-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000300396622 384369982 /nfs/dbraw/zinc/36/99/82/384369982.db2.gz GFPXIWWRYGCJON-UKKRHICBSA-N 1 3 232.393 0.816 20 0 BCADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000300396622 384369987 /nfs/dbraw/zinc/36/99/87/384369987.db2.gz GFPXIWWRYGCJON-UKKRHICBSA-N 1 3 232.393 0.816 20 0 BCADHO Cn1nncc1CNCCC1CC[NH+](C)CC1 ZINC000121998631 384450317 /nfs/dbraw/zinc/45/03/17/384450317.db2.gz CKMKHZHUZSIBRF-UHFFFAOYSA-N 1 3 237.351 0.637 20 0 BCADHO CC(C)C[C@@H](CNC(=O)C1(N)CCC1)[NH+](C)C ZINC000148106891 384459922 /nfs/dbraw/zinc/45/99/22/384459922.db2.gz QTKZWVUGRWCOBK-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000036871058 384460113 /nfs/dbraw/zinc/46/01/13/384460113.db2.gz JFYPQDGEFGMGOO-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)N ZINC000037001288 384466320 /nfs/dbraw/zinc/46/63/20/384466320.db2.gz LXDJCPSHEJRFDS-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](N2CCCC2)C1 ZINC000334388407 384480892 /nfs/dbraw/zinc/48/08/92/384480892.db2.gz QNGNDPJJVSPBAW-VXGBXAGGSA-N 1 3 237.347 0.435 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000249078925 384481135 /nfs/dbraw/zinc/48/11/35/384481135.db2.gz RIGSWVNLZOPRGP-RHYQMDGZSA-N 1 3 241.379 0.911 20 0 BCADHO CC[C@H](N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000036871134 384458546 /nfs/dbraw/zinc/45/85/46/384458546.db2.gz ISHZIVULAGXKMC-VIFPVBQESA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000249133984 384497576 /nfs/dbraw/zinc/49/75/76/384497576.db2.gz YKMNVTKAWBMLKZ-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO C(C[C@@H]1CCOC1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400602315 384520991 /nfs/dbraw/zinc/52/09/91/384520991.db2.gz TWXJQQOYPMJJSN-AGIUHOORSA-N 1 3 224.348 0.954 20 0 BCADHO CC(C)[NH+]1CCC(N(C)C(=O)CN)CC1 ZINC000037804598 384533940 /nfs/dbraw/zinc/53/39/40/384533940.db2.gz REIUPDRWUIUZKL-UHFFFAOYSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)N(C)CC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000236649878 384541891 /nfs/dbraw/zinc/54/18/91/384541891.db2.gz FGCQMWJJAUSJAV-GFCCVEGCSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1CCOC1 ZINC000354406199 384549824 /nfs/dbraw/zinc/54/98/24/384549824.db2.gz JTPULUJFMYVBIX-RYUDHWBXSA-N 1 3 242.363 0.458 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236716608 384557403 /nfs/dbraw/zinc/55/74/03/384557403.db2.gz FZKVEFNSERDCMN-VWYCJHECSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000236717338 384558901 /nfs/dbraw/zinc/55/89/01/384558901.db2.gz FZKVEFNSERDCMN-DCAQKATOSA-N 1 3 227.352 0.556 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000309737970 384570006 /nfs/dbraw/zinc/57/00/06/384570006.db2.gz GXHYFNFPQWRXDL-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CC(N)=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000309737970 384570010 /nfs/dbraw/zinc/57/00/10/384570010.db2.gz GXHYFNFPQWRXDL-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO CCN(CC)CC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000236842911 384590361 /nfs/dbraw/zinc/59/03/61/384590361.db2.gz XZFBUFPKESXZCB-LBPRGKRZSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000236780638 384579401 /nfs/dbraw/zinc/57/94/01/384579401.db2.gz WODLEYTUKVXNSW-UTUOFQBUSA-N 1 3 241.379 0.959 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC[NH2+]CC ZINC000151330134 384564558 /nfs/dbraw/zinc/56/45/58/384564558.db2.gz FKBQYYJKFPSIOP-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000309786999 384609759 /nfs/dbraw/zinc/60/97/59/384609759.db2.gz OIYXQJZKXPUITQ-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1CCN(Cc2ccn(C)c(=O)c2)C[C@H]1C[NH3+] ZINC000643079578 384620158 /nfs/dbraw/zinc/62/01/58/384620158.db2.gz IQTXGGXZOXQELM-WCQYABFASA-N 1 3 249.358 0.802 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)N ZINC000040920085 384632018 /nfs/dbraw/zinc/63/20/18/384632018.db2.gz LRAONMDQHFAHTO-UHFFFAOYSA-N 1 3 215.341 0.428 20 0 BCADHO CN[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000517961953 384595924 /nfs/dbraw/zinc/59/59/24/384595924.db2.gz UYVDQFWRUZJLOF-KGYLQXTDSA-N 1 3 247.342 0.466 20 0 BCADHO CC[C@@](C)(CN1C[C@H]2C[NH2+]C[C@H]2C1)OC ZINC000319905316 384596275 /nfs/dbraw/zinc/59/62/75/384596275.db2.gz QMQYPWQLFJWBCI-TUAOUCFPSA-N 1 3 212.337 0.953 20 0 BCADHO COC[C@@H](C)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000045695882 384666219 /nfs/dbraw/zinc/66/62/19/384666219.db2.gz WDKAXNKSKSYPSD-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCN(C)C ZINC000309838158 384656176 /nfs/dbraw/zinc/65/61/76/384656176.db2.gz BXBHFPWGPRHKPT-NSHDSACASA-N 1 3 229.368 0.831 20 0 BCADHO COC(=O)CCCN1CCC([C@H](C)[NH3+])CC1 ZINC000082474932 384685416 /nfs/dbraw/zinc/68/54/16/384685416.db2.gz DAFVJLKLUCTLRT-JTQLQIEISA-N 1 3 228.336 0.999 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449604194 384688834 /nfs/dbraw/zinc/68/88/34/384688834.db2.gz SOTFTZWSUHUCGQ-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO O=C(NCC1C[NH2+]C1)[C@H]1CNCc2ccccc21 ZINC000646901911 384700031 /nfs/dbraw/zinc/70/00/31/384700031.db2.gz TYYIPAZBCBLWEN-ZDUSSCGKSA-N 1 3 245.326 0.209 20 0 BCADHO O=C(NCC1C[NH2+]C1)[C@@H]1CNCc2ccccc21 ZINC000646901909 384700372 /nfs/dbraw/zinc/70/03/72/384700372.db2.gz TYYIPAZBCBLWEN-CYBMUJFWSA-N 1 3 245.326 0.209 20 0 BCADHO C[C@H](C(=O)NCC1C[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000646901964 384713258 /nfs/dbraw/zinc/71/32/58/384713258.db2.gz WBOJQCKYVUIKDC-GXFFZTMASA-N 1 3 247.342 0.658 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)[C@@H](C)CC ZINC000449611556 384719459 /nfs/dbraw/zinc/71/94/59/384719459.db2.gz WGKZUPKWWGBACU-YIZRAAEISA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C1(C)C[NH2+]C1 ZINC000335037455 384780934 /nfs/dbraw/zinc/78/09/34/384780934.db2.gz IBDJMHLHEWONKD-WDEREUQCSA-N 1 3 237.347 0.291 20 0 BCADHO CN1CC=C(C[NH2+]C2CCN(C)CC2)CC1 ZINC000309942839 384734088 /nfs/dbraw/zinc/73/40/88/384734088.db2.gz CGIPLLQXIYUTAJ-UHFFFAOYSA-N 1 3 223.364 0.932 20 0 BCADHO CC(C)(N)C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000647549671 384748384 /nfs/dbraw/zinc/74/83/84/384748384.db2.gz LQDFNDIYISFXSL-NSHDSACASA-N 1 3 234.347 0.987 20 0 BCADHO CN(C(=O)[C@@H]1NCC1(C)C)C1CC[NH2+]CC1 ZINC000647673242 384751267 /nfs/dbraw/zinc/75/12/67/384751267.db2.gz GCRYHASRCQPEFW-JTQLQIEISA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694795 384768954 /nfs/dbraw/zinc/76/89/54/384768954.db2.gz PUEQJPDBAHVGLV-UDNWOFFPSA-N 1 3 213.325 0.356 20 0 BCADHO CCN(C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000054110867 384822784 /nfs/dbraw/zinc/82/27/84/384822784.db2.gz NMLQAYUYIIKJMW-UHFFFAOYSA-N 1 3 235.331 0.827 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000518188260 384782328 /nfs/dbraw/zinc/78/23/28/384782328.db2.gz LQOQSUQYCHQVDQ-RNJXMRFFSA-N 1 3 235.278 0.178 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](N)c1ccccc1 ZINC000581142068 384795873 /nfs/dbraw/zinc/79/58/73/384795873.db2.gz IVBGXORDWONHGT-ONGXEEELSA-N 1 3 221.304 0.411 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)C(C)(C)C ZINC000648188095 384799995 /nfs/dbraw/zinc/79/99/95/384799995.db2.gz RIEIBJIRPLORJI-XHNCKOQMSA-N 1 3 215.341 0.602 20 0 BCADHO C[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000335480632 384813689 /nfs/dbraw/zinc/81/36/89/384813689.db2.gz RERHAMKZFGLFKB-WHXUTIOJSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)N(C)CC(=O)NCC1=CC[NH2+]CC1 ZINC000186365158 384839751 /nfs/dbraw/zinc/83/97/51/384839751.db2.gz OXUTYRKCJBGNGA-UHFFFAOYSA-N 1 3 225.336 0.363 20 0 BCADHO CCN(C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)O ZINC000310120993 384844841 /nfs/dbraw/zinc/84/48/41/384844841.db2.gz VALASKNZDMWREA-LBPRGKRZSA-N 1 3 244.379 0.534 20 0 BCADHO CCN(C[C@@H](O)C[N@@H+](C)C1CC1)CC(C)(C)O ZINC000310120993 384844848 /nfs/dbraw/zinc/84/48/48/384844848.db2.gz VALASKNZDMWREA-LBPRGKRZSA-N 1 3 244.379 0.534 20 0 BCADHO C[NH+](C)C[C@H]1CN(C(=O)CN)c2ccccc2O1 ZINC000370781513 384850670 /nfs/dbraw/zinc/85/06/70/384850670.db2.gz ZGDQKLIUTUNTNY-JTQLQIEISA-N 1 3 249.314 0.301 20 0 BCADHO CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C)C1)C1CC1 ZINC000644548010 384951176 /nfs/dbraw/zinc/95/11/76/384951176.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@H](NC[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000644548010 384951184 /nfs/dbraw/zinc/95/11/84/384951184.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000644548010 384951186 /nfs/dbraw/zinc/95/11/86/384951186.db2.gz KIQWOZGGVRVEMF-AAEUAGOBSA-N 1 3 241.379 0.125 20 0 BCADHO CC(C)N(C)CC(=O)NCC[N@H+](C)C(C)C ZINC000101952308 384900525 /nfs/dbraw/zinc/90/05/25/384900525.db2.gz TWLHDVIQYLTODZ-UHFFFAOYSA-N 1 3 229.368 0.783 20 0 BCADHO CC(C)N(C)CC(=O)NCC[N@@H+](C)C(C)C ZINC000101952308 384900527 /nfs/dbraw/zinc/90/05/27/384900527.db2.gz TWLHDVIQYLTODZ-UHFFFAOYSA-N 1 3 229.368 0.783 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000257362114 384923523 /nfs/dbraw/zinc/92/35/23/384923523.db2.gz AEXFFJPCAWSWDI-LNFKQOIKSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000257362114 384923530 /nfs/dbraw/zinc/92/35/30/384923530.db2.gz AEXFFJPCAWSWDI-LNFKQOIKSA-N 1 3 223.320 0.077 20 0 BCADHO COC(=O)CCCN[C@@H]1CC[NH2+]CC1(C)C ZINC000300826258 384967470 /nfs/dbraw/zinc/96/74/70/384967470.db2.gz JNLIWWYRJXFQIQ-SNVBAGLBSA-N 1 3 228.336 0.917 20 0 BCADHO COC(=O)CCC[NH2+][C@@H]1CCNCC1(C)C ZINC000300826258 384967474 /nfs/dbraw/zinc/96/74/74/384967474.db2.gz JNLIWWYRJXFQIQ-SNVBAGLBSA-N 1 3 228.336 0.917 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCN1CCCC1 ZINC000165115445 384981520 /nfs/dbraw/zinc/98/15/20/384981520.db2.gz QHTKOHBVHIBYCU-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](N)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000164419936 384984535 /nfs/dbraw/zinc/98/45/35/384984535.db2.gz QENFSGVWDKJSNB-JTQLQIEISA-N 1 3 235.331 0.712 20 0 BCADHO C[NH+](C)CC[C@@H](NC(=O)CN)C(C)(C)C ZINC000236982534 384999510 /nfs/dbraw/zinc/99/95/10/384999510.db2.gz UFFULHQXGUOSTM-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000518373033 385002755 /nfs/dbraw/zinc/00/27/55/385002755.db2.gz MKMNZDBXTCBXAO-CMPLNLGQSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000644601523 385004470 /nfs/dbraw/zinc/00/44/70/385004470.db2.gz SAEGKPWNZXQTDF-RAIGVLPGSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N(C)C1CC1 ZINC000226398694 385008890 /nfs/dbraw/zinc/00/88/90/385008890.db2.gz NXFLQGNHFNVOAH-PWSUYJOCSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@H](CN2CCNC[C@H]2C(F)F)CC[NH2+]1 ZINC000516650339 385010430 /nfs/dbraw/zinc/01/04/30/385010430.db2.gz KJHGXPIDFSTOEI-MXWKQRLJSA-N 1 3 247.333 0.913 20 0 BCADHO C[N@H+](CCCCC1CCOCC1)C[C@@H](O)CN ZINC000310364764 385010642 /nfs/dbraw/zinc/01/06/42/385010642.db2.gz VRDODSGQJRAACX-ZDUSSCGKSA-N 1 3 244.379 0.835 20 0 BCADHO C[N@@H+](CCCCC1CCOCC1)C[C@@H](O)CN ZINC000310364764 385010648 /nfs/dbraw/zinc/01/06/48/385010648.db2.gz VRDODSGQJRAACX-ZDUSSCGKSA-N 1 3 244.379 0.835 20 0 BCADHO CN(CCCCC1CCOCC1)C[C@@H](O)C[NH3+] ZINC000310364764 385010655 /nfs/dbraw/zinc/01/06/55/385010655.db2.gz VRDODSGQJRAACX-ZDUSSCGKSA-N 1 3 244.379 0.835 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@@H](N)CC(F)F)CC1 ZINC000310363680 385012084 /nfs/dbraw/zinc/01/20/84/385012084.db2.gz LGMPKWCCEPWJQM-VIFPVBQESA-N 1 3 249.305 0.427 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484945 385054657 /nfs/dbraw/zinc/05/46/57/385054657.db2.gz IIDFUFANGWLBQH-CMPLNLGQSA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484945 385054665 /nfs/dbraw/zinc/05/46/65/385054665.db2.gz IIDFUFANGWLBQH-CMPLNLGQSA-N 1 3 227.352 0.572 20 0 BCADHO NC1(C(=O)NCC2CC[NH2+]CC2)CCCC1 ZINC000647640325 385066465 /nfs/dbraw/zinc/06/64/65/385066465.db2.gz ADLPBAFFDDVNIS-UHFFFAOYSA-N 1 3 225.336 0.374 20 0 BCADHO C[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCCCN1 ZINC000364162860 385078845 /nfs/dbraw/zinc/07/88/45/385078845.db2.gz VGUYDSHWTSAETN-AAEUAGOBSA-N 1 3 239.363 0.777 20 0 BCADHO CC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000644619185 385027061 /nfs/dbraw/zinc/02/70/61/385027061.db2.gz WTEWEVHOTQBGRR-CMPLNLGQSA-N 1 3 212.337 0.997 20 0 BCADHO NC(C(=O)N[C@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000646984989 385112055 /nfs/dbraw/zinc/11/20/55/385112055.db2.gz IBMXJMGUFATQGG-BQBZGAKWSA-N 1 3 239.241 0.134 20 0 BCADHO CC1([NH3+])CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000646993175 385120669 /nfs/dbraw/zinc/12/06/69/385120669.db2.gz KXZXFLXNCWZRHW-SNVBAGLBSA-N 1 3 225.336 0.454 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646993891 385123490 /nfs/dbraw/zinc/12/34/90/385123490.db2.gz NCRJJXAGPZJVKX-UWVGGRQHSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1[NH3+] ZINC000647009791 385135047 /nfs/dbraw/zinc/13/50/47/385135047.db2.gz IYRRTQRTTOUAAZ-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H](N)C(C)C)CC[C@H]1[NH3+] ZINC000647002246 385136986 /nfs/dbraw/zinc/13/69/86/385136986.db2.gz ZGLUGEZKZAMJRS-AXFHLTTASA-N 1 3 227.352 0.556 20 0 BCADHO COCCOCCN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000404887987 385137858 /nfs/dbraw/zinc/13/78/58/385137858.db2.gz JRULVOSNHZZWDG-NXEZZACHSA-N 1 3 216.325 0.365 20 0 BCADHO COCCOCC[NH2+][C@@H]1C[C@@H](N)C1(C)C ZINC000404887987 385137870 /nfs/dbraw/zinc/13/78/70/385137870.db2.gz JRULVOSNHZZWDG-NXEZZACHSA-N 1 3 216.325 0.365 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@@H]([NH3+])C1(C)C)OC ZINC000404842988 385103608 /nfs/dbraw/zinc/10/36/08/385103608.db2.gz CHRCPQRULVJOPB-IVZWLZJFSA-N 1 3 216.325 0.363 20 0 BCADHO COC[C@H](C[NH2+][C@@H]1C[C@@H](N)C1(C)C)OC ZINC000404842988 385103613 /nfs/dbraw/zinc/10/36/13/385103613.db2.gz CHRCPQRULVJOPB-IVZWLZJFSA-N 1 3 216.325 0.363 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000647051089 385187298 /nfs/dbraw/zinc/18/72/98/385187298.db2.gz ZBVRAWCCEDBXIW-GARJFASQSA-N 1 3 225.336 0.228 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647054857 385192551 /nfs/dbraw/zinc/19/25/51/385192551.db2.gz ARCHLUQGBIUAMX-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1[NH3+] ZINC000647012651 385145182 /nfs/dbraw/zinc/14/51/82/385145182.db2.gz YARQDZLOTULLDC-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1[NH3+] ZINC000647012652 385146410 /nfs/dbraw/zinc/14/64/10/385146410.db2.gz YARQDZLOTULLDC-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)c1ccc(CN(C)C)cc1 ZINC000647021806 385153720 /nfs/dbraw/zinc/15/37/20/385153720.db2.gz FJRGCZIKSNRKKI-SNVBAGLBSA-N 1 3 235.331 0.825 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000647022759 385155296 /nfs/dbraw/zinc/15/52/96/385155296.db2.gz DUJRJFCODSDYKX-MWLCHTKSSA-N 1 3 221.304 0.540 20 0 BCADHO Cc1ccc([C@@H](CNC(=O)CN)[NH+](C)C)cc1 ZINC000165627561 385157442 /nfs/dbraw/zinc/15/74/42/385157442.db2.gz XKBNZTAUOYVJMX-GFCCVEGCSA-N 1 3 235.331 0.673 20 0 BCADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)CN ZINC000165643689 385168496 /nfs/dbraw/zinc/16/84/96/385168496.db2.gz SKWSRGYEOILFFG-LBPRGKRZSA-N 1 3 235.331 0.234 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058096 385201368 /nfs/dbraw/zinc/20/13/68/385201368.db2.gz MOORLUDSMBFXSP-MMWGEVLESA-N 1 3 243.326 0.191 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000647063849 385208266 /nfs/dbraw/zinc/20/82/66/385208266.db2.gz XLPJVWUOXOHKGL-WDSKDSINSA-N 1 3 227.230 0.120 20 0 BCADHO CC(C)([NH3+])C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000044726694 385225247 /nfs/dbraw/zinc/22/52/47/385225247.db2.gz RYDNDFTZRBMZMT-QMMMGPOBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCN(C)C ZINC000252716536 385227844 /nfs/dbraw/zinc/22/78/44/385227844.db2.gz YSCZKPPXZQUTQB-NWDGAFQWSA-N 1 3 213.369 0.868 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000647073635 385230729 /nfs/dbraw/zinc/23/07/29/385230729.db2.gz ITAOFGDVZSOPQA-DCAQKATOSA-N 1 3 239.363 0.761 20 0 BCADHO CC(C)([NH3+])CCC(=O)N1CCNC(C)(C)C1 ZINC000648148814 385257141 /nfs/dbraw/zinc/25/71/41/385257141.db2.gz PHMLXXFPKORUJF-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CN(C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000019482058 385235993 /nfs/dbraw/zinc/23/59/93/385235993.db2.gz GROVXFNWOZHMNV-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000333138459 385240202 /nfs/dbraw/zinc/24/02/02/385240202.db2.gz CRHFCXFVPZVQMZ-VHSXEESVSA-N 1 3 240.351 0.130 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000647082973 385244342 /nfs/dbraw/zinc/24/43/42/385244342.db2.gz XNUJWQMSUVPFIO-KXUCPTDWSA-N 1 3 225.336 0.228 20 0 BCADHO CN(C)CCN(C(=O)CC[NH3+])c1ccccc1 ZINC000166407742 385244626 /nfs/dbraw/zinc/24/46/26/385244626.db2.gz GQZZBARSCQMCJL-UHFFFAOYSA-N 1 3 235.331 0.930 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)C(C)C ZINC000308894567 385246535 /nfs/dbraw/zinc/24/65/35/385246535.db2.gz YYFOWCHQQAGIFT-RKDXNWHRSA-N 1 3 201.314 0.084 20 0 BCADHO CC[C@H](O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000308894947 385248379 /nfs/dbraw/zinc/24/83/79/385248379.db2.gz IQPVCOGPOGLNBI-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO CC[C@H](O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000308894947 385248384 /nfs/dbraw/zinc/24/83/84/385248384.db2.gz IQPVCOGPOGLNBI-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)C[C@H]1C[NH3+] ZINC000647086751 385251259 /nfs/dbraw/zinc/25/12/59/385251259.db2.gz BRGICRXIXBOWJH-HLTSFMKQSA-N 1 3 249.305 0.412 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000308885465 385251292 /nfs/dbraw/zinc/25/12/92/385251292.db2.gz VRXBGXWTLGDBEB-IUCAKERBSA-N 1 3 201.314 0.071 20 0 BCADHO C[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336374662 385202633 /nfs/dbraw/zinc/20/26/33/385202633.db2.gz VVHGSLATDOXCOU-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CCC[C@H](C)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000308957626 385323921 /nfs/dbraw/zinc/32/39/21/385323921.db2.gz XXSACYMKEGZAGW-GARJFASQSA-N 1 3 200.326 0.593 20 0 BCADHO CCC[C@H](C)C[NH2+]C[C@H]1CNC[C@H]1O ZINC000308957626 385323923 /nfs/dbraw/zinc/32/39/23/385323923.db2.gz XXSACYMKEGZAGW-GARJFASQSA-N 1 3 200.326 0.593 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095839 385270916 /nfs/dbraw/zinc/27/09/16/385270916.db2.gz NLQJOQNGYHPHIM-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC(F)F)[N@H+](C)C1CC1 ZINC000310066528 385272969 /nfs/dbraw/zinc/27/29/69/385272969.db2.gz BSCATRJKRPRUPY-CBAPKCEASA-N 1 3 249.305 0.568 20 0 BCADHO C[C@@H](CNC(=O)[C@@H](N)CC(F)F)[N@@H+](C)C1CC1 ZINC000310066528 385272972 /nfs/dbraw/zinc/27/29/72/385272972.db2.gz BSCATRJKRPRUPY-CBAPKCEASA-N 1 3 249.305 0.568 20 0 BCADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)(C)N ZINC000237044236 385273767 /nfs/dbraw/zinc/27/37/67/385273767.db2.gz CJELPYBDEFPZNX-JTQLQIEISA-N 1 3 245.367 0.197 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC(F)F)[N@H+](C)C1CC1 ZINC000310066531 385274040 /nfs/dbraw/zinc/27/40/40/385274040.db2.gz BSCATRJKRPRUPY-VXNVDRBHSA-N 1 3 249.305 0.568 20 0 BCADHO C[C@H](CNC(=O)[C@H](N)CC(F)F)[N@@H+](C)C1CC1 ZINC000310066531 385274044 /nfs/dbraw/zinc/27/40/44/385274044.db2.gz BSCATRJKRPRUPY-VXNVDRBHSA-N 1 3 249.305 0.568 20 0 BCADHO C[C@H](O)C[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000164731474 385293559 /nfs/dbraw/zinc/29/35/59/385293559.db2.gz YCNLZZTUWANTBC-SRVKXCTJSA-N 1 3 230.352 0.192 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000164990249 385332327 /nfs/dbraw/zinc/33/23/27/385332327.db2.gz WAYIDDJVMCZYIP-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000178826537 385332475 /nfs/dbraw/zinc/33/24/75/385332475.db2.gz ISLJZUGIEBXEOJ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000259355367 385336688 /nfs/dbraw/zinc/33/66/88/385336688.db2.gz ZAKOHJVXVMVFCN-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[N@H+]1CC[C@@H](CC(=O)N2CCNC(C)(C)C2)C1 ZINC000259355367 385336692 /nfs/dbraw/zinc/33/66/92/385336692.db2.gz ZAKOHJVXVMVFCN-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CN)C1 ZINC000165125310 385352630 /nfs/dbraw/zinc/35/26/30/385352630.db2.gz JDSXNNAFWASOQA-TXEJJXNPSA-N 1 3 241.379 0.819 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CN)C1 ZINC000165125310 385352636 /nfs/dbraw/zinc/35/26/36/385352636.db2.gz JDSXNNAFWASOQA-TXEJJXNPSA-N 1 3 241.379 0.819 20 0 BCADHO CC[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000309010900 385358984 /nfs/dbraw/zinc/35/89/84/385358984.db2.gz RVGVCWSXKNSLPJ-MRVPVSSYSA-N 1 3 201.314 0.167 20 0 BCADHO N[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000131826996 385361736 /nfs/dbraw/zinc/36/17/36/385361736.db2.gz SRYYSXFVJOQQTI-CHWSQXEVSA-N 1 3 247.342 0.802 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000179169751 385371212 /nfs/dbraw/zinc/37/12/12/385371212.db2.gz URDMMJXHZGMVCT-YPMHNXCESA-N 1 3 249.358 0.701 20 0 BCADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000400151180 385327341 /nfs/dbraw/zinc/32/73/41/385327341.db2.gz QKQGKGQFUKMCMH-IJLUTSLNSA-N 1 3 210.321 0.563 20 0 BCADHO N[C@H](CC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178806630 385420337 /nfs/dbraw/zinc/42/03/37/385420337.db2.gz QBRLMMLIUSETGG-CHWSQXEVSA-N 1 3 247.342 0.945 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000170786972 385446194 /nfs/dbraw/zinc/44/61/94/385446194.db2.gz UNLCLHFFUMZYRM-CHWSQXEVSA-N 1 3 247.342 0.506 20 0 BCADHO CN(C(=O)[C@@H]1CNCCC1(F)F)[C@H]1CC[NH2+]C1 ZINC000644086012 385432260 /nfs/dbraw/zinc/43/22/60/385432260.db2.gz GKSLKCJWGUJUBR-IUCAKERBSA-N 1 3 247.289 0.052 20 0 BCADHO CN(C(=O)[C@@H]1CNCCC1(F)F)[C@@H]1CC[NH2+]C1 ZINC000644086010 385432268 /nfs/dbraw/zinc/43/22/68/385432268.db2.gz GKSLKCJWGUJUBR-BDAKNGLRSA-N 1 3 247.289 0.052 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000644099501 385472187 /nfs/dbraw/zinc/47/21/87/385472187.db2.gz JTEBNOIRPPANNA-GHMZBOCLSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)[C@H]1CCCO1 ZINC000309201040 385475656 /nfs/dbraw/zinc/47/56/56/385475656.db2.gz AIWBQTATCFBJJS-NWDGAFQWSA-N 1 3 230.352 0.722 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000644104179 385478078 /nfs/dbraw/zinc/47/80/78/385478078.db2.gz LHFLCOTZHIOGAS-AEJSXWLSSA-N 1 3 225.336 0.180 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000644107145 385483505 /nfs/dbraw/zinc/48/35/05/385483505.db2.gz WCYITZWFLSWYQQ-JTQLQIEISA-N 1 3 239.363 0.490 20 0 BCADHO CCC[NH+]1CCC(NC[C@@]2(O)CCOC2)CC1 ZINC000183391121 385539661 /nfs/dbraw/zinc/53/96/61/385539661.db2.gz GMCRUYGLKASANF-ZDUSSCGKSA-N 1 3 242.363 0.602 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1)[C@@H](C)[NH3+] ZINC000644142296 385525579 /nfs/dbraw/zinc/52/55/79/385525579.db2.gz MGMLNMPBVYQWDC-VPOLOUISSA-N 1 3 245.342 0.422 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C1(N)CCCCC1 ZINC000309367140 385552341 /nfs/dbraw/zinc/55/23/41/385552341.db2.gz BKUWWTVGBUFHOR-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000054075555 385593958 /nfs/dbraw/zinc/59/39/58/385593958.db2.gz XMYFNDAUMZIZRI-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO [NH3+][C@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366558943 385595991 /nfs/dbraw/zinc/59/59/91/385595991.db2.gz XENVSZSOYFZVBM-NAKRPEOUSA-N 1 3 243.326 0.320 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000309516000 385654402 /nfs/dbraw/zinc/65/44/02/385654402.db2.gz YSLKKOHQMIODIN-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000645221989 385688551 /nfs/dbraw/zinc/68/85/51/385688551.db2.gz SZGZHEHHAYTZEU-GFCCVEGCSA-N 1 3 246.314 0.092 20 0 BCADHO CC[C@H](COC)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000336698697 385752683 /nfs/dbraw/zinc/75/26/83/385752683.db2.gz VPJHSRHUTJWNFK-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@H](COC)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000336698697 385752689 /nfs/dbraw/zinc/75/26/89/385752689.db2.gz VPJHSRHUTJWNFK-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CCn1ncnc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647797135 385765107 /nfs/dbraw/zinc/76/51/07/385765107.db2.gz ZUFOZCYDZYPPGD-IJLUTSLNSA-N 1 3 249.362 0.776 20 0 BCADHO C[C@@]1(C[NH3+])CCN(CCCN2CCOCC2)C1 ZINC000337752226 385775613 /nfs/dbraw/zinc/77/56/13/385775613.db2.gz JPJCOGWFTIPEOX-ZDUSSCGKSA-N 1 3 241.379 0.379 20 0 BCADHO C[C@@]1(CN)CC[N@H+](CCCN2CCOCC2)C1 ZINC000337752226 385775618 /nfs/dbraw/zinc/77/56/18/385775618.db2.gz JPJCOGWFTIPEOX-ZDUSSCGKSA-N 1 3 241.379 0.379 20 0 BCADHO C[C@@]1(CN)CC[N@@H+](CCCN2CCOCC2)C1 ZINC000337752226 385775620 /nfs/dbraw/zinc/77/56/20/385775620.db2.gz JPJCOGWFTIPEOX-ZDUSSCGKSA-N 1 3 241.379 0.379 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973051 385778774 /nfs/dbraw/zinc/77/87/74/385778774.db2.gz NUVZVGABGFADQH-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)C[C@H](N)c1ccccc1 ZINC000261615309 385825897 /nfs/dbraw/zinc/82/58/97/385825897.db2.gz AQBNACFAHFWVOL-JQWIXIFHSA-N 1 3 235.331 0.801 20 0 BCADHO COCCNCCNCC[NH2+]C(C)(C)C ZINC000414869648 385834476 /nfs/dbraw/zinc/83/44/76/385834476.db2.gz GEGRVPPCQDAWAR-UHFFFAOYSA-N 1 3 217.357 0.200 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CCN1C ZINC000638114386 385848940 /nfs/dbraw/zinc/84/89/40/385848940.db2.gz IGXGTRUSQJWWCJ-YUSALJHKSA-N 1 3 237.347 0.633 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000638115884 385852476 /nfs/dbraw/zinc/85/24/76/385852476.db2.gz KDWIDBORMNSULC-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCn1cccn1 ZINC000122317472 385909427 /nfs/dbraw/zinc/90/94/27/385909427.db2.gz DQHHNKDWTQQFOA-GHMZBOCLSA-N 1 3 208.309 0.552 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1NCC1(C)C ZINC000647858092 385913841 /nfs/dbraw/zinc/91/38/41/385913841.db2.gz RSLIKGXBESZHPM-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1NCC1(C)C ZINC000647858090 385914428 /nfs/dbraw/zinc/91/44/28/385914428.db2.gz RSLIKGXBESZHPM-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1NCC1(C)C ZINC000647858091 385914505 /nfs/dbraw/zinc/91/45/05/385914505.db2.gz RSLIKGXBESZHPM-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000331759731 385917101 /nfs/dbraw/zinc/91/71/01/385917101.db2.gz JWSFPNGCBJQTNN-OPRDCNLKSA-N 1 3 240.351 0.258 20 0 BCADHO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCCNCC1 ZINC000070252466 385861686 /nfs/dbraw/zinc/86/16/86/385861686.db2.gz OZHPEDAABBQZSA-NSHDSACASA-N 1 3 237.347 0.198 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CC(F)F)[C@H]1C[NH3+] ZINC000647820966 385870512 /nfs/dbraw/zinc/87/05/12/385870512.db2.gz XAZYLVBLUCBTEF-VGMNWLOBSA-N 1 3 249.305 0.555 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)[C@@H]1C[NH3+] ZINC000647820965 385870612 /nfs/dbraw/zinc/87/06/12/385870612.db2.gz XAZYLVBLUCBTEF-IWSPIJDZSA-N 1 3 249.305 0.555 20 0 BCADHO N[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccccc1 ZINC000647767371 385883486 /nfs/dbraw/zinc/88/34/86/385883486.db2.gz GKFFWQYXUFEIDK-XQHKEYJVSA-N 1 3 245.326 0.553 20 0 BCADHO CCN(C)C(=O)CCN1CCC(C)([NH3+])CC1 ZINC000647924280 385949281 /nfs/dbraw/zinc/94/92/81/385949281.db2.gz UJFROXSMKSCRKZ-UHFFFAOYSA-N 1 3 227.352 0.668 20 0 BCADHO Cn1nnc2cc(C[NH2+]CC3(N)CCC3)ccc21 ZINC000414879817 385958172 /nfs/dbraw/zinc/95/81/72/385958172.db2.gz IXPVQPISZSUGRI-UHFFFAOYSA-N 1 3 245.330 0.939 20 0 BCADHO COc1ccc2c(c1)[C@@H]([NH3+])CCN2C(=O)[C@@H](C)N ZINC000365220604 385960692 /nfs/dbraw/zinc/96/06/92/385960692.db2.gz HYUXTKXRFCLTLV-KCJUWKMLSA-N 1 3 249.314 0.779 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000251311507 385963661 /nfs/dbraw/zinc/96/36/61/385963661.db2.gz KKPQCLFVBATCJJ-AAEUAGOBSA-N 1 3 239.363 0.811 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000365228856 385966065 /nfs/dbraw/zinc/96/60/65/385966065.db2.gz USBFYTMMUQJWGI-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CNCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335064220 386035276 /nfs/dbraw/zinc/03/52/76/386035276.db2.gz XASNCJNKZOIMLY-JTQLQIEISA-N 1 3 219.288 0.122 20 0 BCADHO C[NH2+]CCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000335064487 386035552 /nfs/dbraw/zinc/03/55/52/386035552.db2.gz ZHHAQRKKMOZMMV-LLVKDONJSA-N 1 3 233.315 0.513 20 0 BCADHO CCN(CCNC(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000417481531 386123895 /nfs/dbraw/zinc/12/38/95/386123895.db2.gz HVVRNKQCMIOILI-UHFFFAOYSA-N 1 3 242.367 0.507 20 0 BCADHO CC[C@H](Cn1cncn1)[NH2+]CC1=CCN(C)CC1 ZINC000340522468 386116020 /nfs/dbraw/zinc/11/60/20/386116020.db2.gz AYMGZCNMQAXUFG-CYBMUJFWSA-N 1 3 249.362 0.908 20 0 BCADHO C[C@@H](C(=O)NCCN(C)C1CC1)C1C[NH2+]C1 ZINC000129230579 386065639 /nfs/dbraw/zinc/06/56/39/386065639.db2.gz JLWQTRXZRCXKEE-SECBINFHSA-N 1 3 225.336 0.052 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000310085513 386083213 /nfs/dbraw/zinc/08/32/13/386083213.db2.gz GNZZJFDYAHMICL-JQWIXIFHSA-N 1 3 239.363 0.395 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334448650 386083750 /nfs/dbraw/zinc/08/37/50/386083750.db2.gz RIDWUEQWRPWVGC-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673125 386145124 /nfs/dbraw/zinc/14/51/24/386145124.db2.gz QHLRRBONSZGRNA-NXEZZACHSA-N 1 3 213.325 0.167 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+]1CC[C@@H](C(N)=O)C1 ZINC000414673125 386145130 /nfs/dbraw/zinc/14/51/30/386145130.db2.gz QHLRRBONSZGRNA-NXEZZACHSA-N 1 3 213.325 0.167 20 0 BCADHO CN(C)CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000055122431 386157085 /nfs/dbraw/zinc/15/70/85/386157085.db2.gz LAVCRUQQSZJKSO-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)N(CC(N)=O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414677805 386157862 /nfs/dbraw/zinc/15/78/62/386157862.db2.gz JTFVWQXOFBKMNZ-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CCN(C)CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055131824 386158888 /nfs/dbraw/zinc/15/88/88/386158888.db2.gz XQFSPHINTJASGN-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1C[C@H](CN2CCCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000414681596 386163821 /nfs/dbraw/zinc/16/38/21/386163821.db2.gz PMYFCGIKIUYOHZ-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@]1(CNC[C@H]2CCNCC2(F)F)CC[NH2+]C1 ZINC000414993203 386163843 /nfs/dbraw/zinc/16/38/43/386163843.db2.gz CGJQVYHPTYOMMR-GHMZBOCLSA-N 1 3 247.333 0.820 20 0 BCADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681388 386164431 /nfs/dbraw/zinc/16/44/31/386164431.db2.gz VYNXLNRPGXQXIS-GFCCVEGCSA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681388 386164433 /nfs/dbraw/zinc/16/44/33/386164433.db2.gz VYNXLNRPGXQXIS-GFCCVEGCSA-N 1 3 241.379 0.772 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCCC[C@H]2C(N)=O)CC[NH2+]1 ZINC000414681598 386164634 /nfs/dbraw/zinc/16/46/34/386164634.db2.gz PMYFCGIKIUYOHZ-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)c1cn(C[C@H](O)C[N@H+](C)CC)nn1 ZINC000310315112 386172349 /nfs/dbraw/zinc/17/23/49/386172349.db2.gz XIFFNPRRHJPJGR-ZJUUUORDSA-N 1 3 241.339 0.001 20 0 BCADHO CC[C@H](N)c1cn(C[C@H](O)C[N@@H+](C)CC)nn1 ZINC000310315112 386172354 /nfs/dbraw/zinc/17/23/54/386172354.db2.gz XIFFNPRRHJPJGR-ZJUUUORDSA-N 1 3 241.339 0.001 20 0 BCADHO COC(=O)C(C)(C)CCN[C@H](C)CC[NH3+] ZINC000414894363 386173876 /nfs/dbraw/zinc/17/38/76/386173876.db2.gz LFQFSARXHJTDMP-SECBINFHSA-N 1 3 216.325 0.903 20 0 BCADHO COC(=O)C(C)(C)CC[NH2+][C@H](C)CCN ZINC000414894363 386173882 /nfs/dbraw/zinc/17/38/82/386173882.db2.gz LFQFSARXHJTDMP-SECBINFHSA-N 1 3 216.325 0.903 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000393458186 386129150 /nfs/dbraw/zinc/12/91/50/386129150.db2.gz FRKAQTZRFUGHEK-NNYUYHANSA-N 1 3 210.321 0.726 20 0 BCADHO O[C@@H]1CC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000393458186 386129158 /nfs/dbraw/zinc/12/91/58/386129158.db2.gz FRKAQTZRFUGHEK-NNYUYHANSA-N 1 3 210.321 0.726 20 0 BCADHO CCN(CCNC(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000417490640 386142100 /nfs/dbraw/zinc/14/21/00/386142100.db2.gz RWGYOHMQIMPTLD-SNVBAGLBSA-N 1 3 242.367 0.365 20 0 BCADHO CC(C)NC(=O)CN(C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414673072 386144055 /nfs/dbraw/zinc/14/40/55/386144055.db2.gz BNJDDEFOPREFMX-NEPJUHHUSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN(CC(=O)NC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414700660 386208998 /nfs/dbraw/zinc/20/89/98/386208998.db2.gz ZQAYSWPENXAVQV-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@@H](N)CC(C)C ZINC000414712677 386230488 /nfs/dbraw/zinc/23/04/88/386230488.db2.gz TUSGINIARYDDGE-QWRGUYRKSA-N 1 3 229.368 0.674 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](N)CC(C)C ZINC000414712677 386230491 /nfs/dbraw/zinc/23/04/91/386230491.db2.gz TUSGINIARYDDGE-QWRGUYRKSA-N 1 3 229.368 0.674 20 0 BCADHO NC(=O)C[C@@H]1CCCCN1C[C@H]1CC[NH2+]C1 ZINC000647882663 386234103 /nfs/dbraw/zinc/23/41/03/386234103.db2.gz LBBIYJQVMSVUBU-QWRGUYRKSA-N 1 3 225.336 0.326 20 0 BCADHO CCC[C@@H]1CN(CCC[NH3+])CCN1CCOC ZINC000414717020 386241215 /nfs/dbraw/zinc/24/12/15/386241215.db2.gz YXPMNFOLVPGUCL-CYBMUJFWSA-N 1 3 243.395 0.768 20 0 BCADHO CCN[C@@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350037 386241370 /nfs/dbraw/zinc/24/13/70/386241370.db2.gz AMFXONQRZFXCJL-JQWIXIFHSA-N 1 3 247.342 0.901 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC(C)(C)CC[NH3+] ZINC000638355170 386246177 /nfs/dbraw/zinc/24/61/77/386246177.db2.gz GURHCUPJMAEIDY-JTQLQIEISA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)CCN1C ZINC000132916993 386258053 /nfs/dbraw/zinc/25/80/53/386258053.db2.gz TVIMEBFVRVYYOQ-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@H](O)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000336647265 386258219 /nfs/dbraw/zinc/25/82/19/386258219.db2.gz LWBQZYOOKAZLRG-WOPDTQHZSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1C[C@H](O)CN1CC[C@@H]1CCC[N@H+]1C ZINC000336647265 386258221 /nfs/dbraw/zinc/25/82/21/386258221.db2.gz LWBQZYOOKAZLRG-WOPDTQHZSA-N 1 3 212.337 0.926 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC000132878571 386258555 /nfs/dbraw/zinc/25/85/55/386258555.db2.gz RRQCDQALKSINSZ-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CCCCN(CC(N)=O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414694720 386193093 /nfs/dbraw/zinc/19/30/93/386193093.db2.gz DQMGTCHPBOYWDU-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000091394748 386295739 /nfs/dbraw/zinc/29/57/39/386295739.db2.gz QUFBNGMEXYDFKV-AAEUAGOBSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000091395560 386295759 /nfs/dbraw/zinc/29/57/59/386295759.db2.gz CSFWBTFQVVCCQT-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000133181918 386301036 /nfs/dbraw/zinc/30/10/36/386301036.db2.gz HJLYAEKZRODKGJ-NWDGAFQWSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H](CO)[N@H+](C)CC[C@@H]1CCCN1C ZINC000336673723 386306182 /nfs/dbraw/zinc/30/61/82/386306182.db2.gz PMIRZJMBOQDMHI-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H](CO)[N@@H+](C)CC[C@@H]1CCCN1C ZINC000336673723 386306185 /nfs/dbraw/zinc/30/61/85/386306185.db2.gz PMIRZJMBOQDMHI-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO CN1CC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC000334509273 386308903 /nfs/dbraw/zinc/30/89/03/386308903.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 1 3 234.347 0.911 20 0 BCADHO CN1CC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC000334509273 386308907 /nfs/dbraw/zinc/30/89/07/386308907.db2.gz CUCAULVICFWBHQ-CYBMUJFWSA-N 1 3 234.347 0.911 20 0 BCADHO C[C@@H](O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336671416 386319532 /nfs/dbraw/zinc/31/95/32/386319532.db2.gz KBIOGNCIAWRGCK-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@@H](O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336671416 386319540 /nfs/dbraw/zinc/31/95/40/386319540.db2.gz KBIOGNCIAWRGCK-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO C[NH+](C)CC1CCN(CCn2cncn2)CC1 ZINC000336679758 386321214 /nfs/dbraw/zinc/32/12/14/386321214.db2.gz CBESFMAUARYHID-UHFFFAOYSA-N 1 3 237.351 0.552 20 0 BCADHO CC[C@@H](C(=O)NCC1([NH+](C)C)CC1)N(C)C ZINC000416307216 386269273 /nfs/dbraw/zinc/26/92/73/386269273.db2.gz JQMOYKVOMCSHFY-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO CNCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335277720 386343992 /nfs/dbraw/zinc/34/39/92/386343992.db2.gz UQNODNOYVXWRAK-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277719 386344414 /nfs/dbraw/zinc/34/44/14/386344414.db2.gz UQNODNOYVXWRAK-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)C1(N)CCCCC1 ZINC000237098240 386355325 /nfs/dbraw/zinc/35/53/25/386355325.db2.gz ZNXSWNLTKHWJFE-JTQLQIEISA-N 1 3 227.352 0.620 20 0 BCADHO COCCOC[C@H]1CCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647890062 386359419 /nfs/dbraw/zinc/35/94/19/386359419.db2.gz KOPCVVXEGZJTMV-STQMWFEESA-N 1 3 242.363 0.581 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347371854 386370267 /nfs/dbraw/zinc/37/02/67/386370267.db2.gz QEHSCXBKGPHWLL-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000637809910 386372635 /nfs/dbraw/zinc/37/26/35/386372635.db2.gz YFMYAIXBKLBPIW-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCCNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417556171 386379678 /nfs/dbraw/zinc/37/96/78/386379678.db2.gz ZZSZIEHTRNQJSB-SNVBAGLBSA-N 1 3 242.367 0.378 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CCc2c[nH]nn2)C1 ZINC000647970927 386442584 /nfs/dbraw/zinc/44/25/84/386442584.db2.gz LTNKJZOTHLZYFW-SNVBAGLBSA-N 1 3 223.324 0.231 20 0 BCADHO CCCCN(C)CCNC(=O)NCC[C@H](C)[NH3+] ZINC000417611371 386446627 /nfs/dbraw/zinc/44/66/27/386446627.db2.gz PAIJDCZSLDITQD-NSHDSACASA-N 1 3 244.383 0.755 20 0 BCADHO CCN(CCNC(=O)C1(C)C[NH2+]C1)C1CC1 ZINC000399192354 386449341 /nfs/dbraw/zinc/44/93/41/386449341.db2.gz JRMCUJQMELLODK-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@@H](N)C[N@H+](CCO)C1CCOCC1 ZINC000414755069 386394673 /nfs/dbraw/zinc/39/46/73/386394673.db2.gz OPTAICIQELKKTR-GFCCVEGCSA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)C[C@@H](N)C[N@@H+](CCO)C1CCOCC1 ZINC000414755069 386394677 /nfs/dbraw/zinc/39/46/77/386394677.db2.gz OPTAICIQELKKTR-GFCCVEGCSA-N 1 3 244.379 0.833 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000347417946 386397121 /nfs/dbraw/zinc/39/71/21/386397121.db2.gz QHNTVHVSNSQIIM-UPJWGTAASA-N 1 3 244.379 0.704 20 0 BCADHO CCOC[C@H](O)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000347417946 386397124 /nfs/dbraw/zinc/39/71/24/386397124.db2.gz QHNTVHVSNSQIIM-UPJWGTAASA-N 1 3 244.379 0.704 20 0 BCADHO CCCCN(C)CCNC(=O)NCCCC[NH3+] ZINC000417612926 386451388 /nfs/dbraw/zinc/45/13/88/386451388.db2.gz RVLNKLHTPLQULG-UHFFFAOYSA-N 1 3 244.383 0.756 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@H](CO)C2)CC[NH2+]1 ZINC000414759395 386410524 /nfs/dbraw/zinc/41/05/24/386410524.db2.gz OERQXWCSONKEJI-LPWJVIDDSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@@H](C)O[C@@H](CO)C2)CC[NH2+]1 ZINC000414759393 386411333 /nfs/dbraw/zinc/41/13/33/386411333.db2.gz OERQXWCSONKEJI-FDYHWXHSSA-N 1 3 242.363 0.456 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000417583695 386413631 /nfs/dbraw/zinc/41/36/31/386413631.db2.gz LILPPBQMZNCHQV-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO N[C@@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237899953 386421872 /nfs/dbraw/zinc/42/18/72/386421872.db2.gz VODCEYRTSYGTJG-STQMWFEESA-N 1 3 247.342 0.945 20 0 BCADHO CN1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134479125 386422503 /nfs/dbraw/zinc/42/25/03/386422503.db2.gz UYNJWPJEFFLTPT-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO COC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339426405 386427530 /nfs/dbraw/zinc/42/75/30/386427530.db2.gz LORLQAZYWFVHDG-CHWSQXEVSA-N 1 3 242.363 0.411 20 0 BCADHO COC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339426405 386427534 /nfs/dbraw/zinc/42/75/34/386427534.db2.gz LORLQAZYWFVHDG-CHWSQXEVSA-N 1 3 242.363 0.411 20 0 BCADHO CN(CCNC(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000417604104 386434289 /nfs/dbraw/zinc/43/42/89/386434289.db2.gz ATHOZHBQLCJDQO-LLVKDONJSA-N 1 3 240.351 0.117 20 0 BCADHO O[C@H]1C[NH2+]C[C@@H]1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414773450 386467289 /nfs/dbraw/zinc/46/72/89/386467289.db2.gz AKJNNQWATMFGBP-AJNGGQMLSA-N 1 3 246.354 0.960 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCN1C ZINC000417276327 386468771 /nfs/dbraw/zinc/46/87/71/386468771.db2.gz DOLXLPBYFCKDPS-ZJUUUORDSA-N 1 3 228.340 0.117 20 0 BCADHO CN(CCNC(=O)NC(C)(C)C[NH3+])C1CC1 ZINC000417629243 386472483 /nfs/dbraw/zinc/47/24/83/386472483.db2.gz SAPFJLLMLOCIJC-UHFFFAOYSA-N 1 3 228.340 0.117 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000417286448 386476023 /nfs/dbraw/zinc/47/60/23/386476023.db2.gz MXKDHLFRMPPUHX-QWRGUYRKSA-N 1 3 242.367 0.235 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000335425497 386477501 /nfs/dbraw/zinc/47/75/01/386477501.db2.gz XSBXOKFOEAOEEJ-UWVGGRQHSA-N 1 3 223.320 0.078 20 0 BCADHO NC1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000335425496 386477941 /nfs/dbraw/zinc/47/79/41/386477941.db2.gz XSBXOKFOEAOEEJ-NXEZZACHSA-N 1 3 223.320 0.078 20 0 BCADHO NC[C@H]1c2ccccc2CCN1C(=O)[C@H]1CC[NH2+]1 ZINC000335431735 386489119 /nfs/dbraw/zinc/48/91/19/386489119.db2.gz YKUFOCDPJKTVGU-OLZOCXBDSA-N 1 3 245.326 0.433 20 0 BCADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113081 386501998 /nfs/dbraw/zinc/50/19/98/386501998.db2.gz ANLZIXNSLIBXMF-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000335443428 386503816 /nfs/dbraw/zinc/50/38/16/386503816.db2.gz IDIKEOHKLIMRJZ-GFCCVEGCSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000335447949 386514180 /nfs/dbraw/zinc/51/41/80/386514180.db2.gz YAQBEIZOWKVFDB-ZWNOBZJWSA-N 1 3 247.342 0.679 20 0 BCADHO Cc1cn[nH]c1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000335448310 386518000 /nfs/dbraw/zinc/51/80/00/386518000.db2.gz MNTKLOFFIMRYKX-UWVGGRQHSA-N 1 3 208.309 0.887 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000519655076 386518618 /nfs/dbraw/zinc/51/86/18/386518618.db2.gz WSNUDMAQYMTKRH-RQJHMYQMSA-N 1 3 235.278 0.226 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]2CCO[C@H]21 ZINC000415037290 386524490 /nfs/dbraw/zinc/52/44/90/386524490.db2.gz MVAGDSPGYVONFW-WGWHJZDNSA-N 1 3 222.332 0.607 20 0 BCADHO C1CC2(C1)[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)[C@H]1CCO[C@@H]12 ZINC000415041039 386526216 /nfs/dbraw/zinc/52/62/16/386526216.db2.gz QPIDGNBEBHVDEQ-QXMWZZNTSA-N 1 3 234.343 0.751 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000204154503 386455098 /nfs/dbraw/zinc/45/50/98/386455098.db2.gz UJMISRFJRVADQM-ONGXEEELSA-N 1 3 221.304 0.020 20 0 BCADHO CCN1CCC[C@H]1CN(C)C(=O)C1(C)C[NH2+]C1 ZINC000399216037 386458521 /nfs/dbraw/zinc/45/85/21/386458521.db2.gz HRXVYEMUBSZCHD-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](CNC(=O)C1(C)C[NH2+]C1)N(C)C1CC1 ZINC000399222748 386460502 /nfs/dbraw/zinc/46/05/02/386460502.db2.gz WNSLAGJOLIZJRM-VIFPVBQESA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C ZINC000638422376 386461227 /nfs/dbraw/zinc/46/12/27/386461227.db2.gz AWOWWUPGQVGHPQ-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)NCCN(C)C2CC2)C1 ZINC000417625481 386462391 /nfs/dbraw/zinc/46/23/91/386462391.db2.gz MKONLCXFLUWLNA-JTQLQIEISA-N 1 3 240.351 0.084 20 0 BCADHO NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977843 386576917 /nfs/dbraw/zinc/57/69/17/386576917.db2.gz IUQAGSBWMFXDOP-WDEREUQCSA-N 1 3 225.336 0.183 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2)C1 ZINC000647779786 386583175 /nfs/dbraw/zinc/58/31/75/386583175.db2.gz QZAFMLNPGAEUSZ-SRVKXCTJSA-N 1 3 239.363 0.442 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335455253 386531160 /nfs/dbraw/zinc/53/11/60/386531160.db2.gz QMJONOMEJYDCNN-AOOOYVTPSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000262631492 386538598 /nfs/dbraw/zinc/53/85/98/386538598.db2.gz FKNVQCUKBXYISZ-VWYCJHECSA-N 1 3 237.347 0.337 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262635497 386538708 /nfs/dbraw/zinc/53/87/08/386538708.db2.gz HFQKJMFNCBEQRD-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000335459722 386540448 /nfs/dbraw/zinc/54/04/48/386540448.db2.gz CHMUIWXSWMYHCR-WCBMZHEXSA-N 1 3 219.288 0.250 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN2CCC1CC2 ZINC000335463007 386549062 /nfs/dbraw/zinc/54/90/62/386549062.db2.gz JKUKJGKZCWXGEJ-VHSXEESVSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](CC1CCOCC1)CN(C)C[C@@H](O)C[NH3+] ZINC000415068846 386550981 /nfs/dbraw/zinc/55/09/81/386550981.db2.gz NRBKAAFHHPFSCQ-AAEUAGOBSA-N 1 3 244.379 0.691 20 0 BCADHO C[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)N(C)C ZINC000332060905 386558459 /nfs/dbraw/zinc/55/84/59/386558459.db2.gz PMKYESMFMJCHDM-IDKOKCKLSA-N 1 3 228.340 0.068 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000417690164 386558503 /nfs/dbraw/zinc/55/85/03/386558503.db2.gz UMKVYFSOOMPBBS-VHSXEESVSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCCCNC1 ZINC000415071720 386562002 /nfs/dbraw/zinc/56/20/02/386562002.db2.gz UJQPGRBXPIJPSR-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]([NH3+])C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000070582619 386572281 /nfs/dbraw/zinc/57/22/81/386572281.db2.gz ROMJXFPKZMEMHX-GXSJLCMTSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](O)CN(C)[C@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC000337183128 386655683 /nfs/dbraw/zinc/65/56/83/386655683.db2.gz NLKRIBFZIWECIU-AVGNSLFASA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H](O)CN(C)[C@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000337183128 386655689 /nfs/dbraw/zinc/65/56/89/386655689.db2.gz NLKRIBFZIWECIU-AVGNSLFASA-N 1 3 244.379 0.534 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000335505812 386636471 /nfs/dbraw/zinc/63/64/71/386636471.db2.gz SUXKECKJDOKYLI-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](O)[C@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143271 386640730 /nfs/dbraw/zinc/64/07/30/386640730.db2.gz SMZHTHSANMEWOX-FDYHWXHSSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942843 386647647 /nfs/dbraw/zinc/64/76/47/386647647.db2.gz SKWZOSIVWFMXHE-NXEZZACHSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942843 386647655 /nfs/dbraw/zinc/64/76/55/386647655.db2.gz SKWZOSIVWFMXHE-NXEZZACHSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H](N)C2CCC2)CC1 ZINC000335423630 386599449 /nfs/dbraw/zinc/59/94/49/386599449.db2.gz NVDBEVHQTSCKKZ-BXKDBHETSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)N1CCCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000335520554 386659279 /nfs/dbraw/zinc/65/92/79/386659279.db2.gz HGNCJYBSJWPIHP-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000062972605 386668205 /nfs/dbraw/zinc/66/82/05/386668205.db2.gz RNWQBLBLRWLBGO-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)CN(C)C ZINC000425934034 386670905 /nfs/dbraw/zinc/67/09/05/386670905.db2.gz YSLHEFXSOKKABM-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H](CN[C@@H]1CCC(=O)NC1(C)C)C[NH+](C)C ZINC000425934034 386670912 /nfs/dbraw/zinc/67/09/12/386670912.db2.gz YSLHEFXSOKKABM-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)N)CC1 ZINC000335481698 386708920 /nfs/dbraw/zinc/70/89/20/386708920.db2.gz YAHVLGGUPNEANZ-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO [NH3+]CCOCCN1CCC(OCC2CC2)CC1 ZINC000357075672 386710797 /nfs/dbraw/zinc/71/07/97/386710797.db2.gz NXIIGESEPBCZON-UHFFFAOYSA-N 1 3 242.363 0.853 20 0 BCADHO CC(C)CCCNC[C@H]1C[NH2+]C[C@@H]1O ZINC000336649004 386701941 /nfs/dbraw/zinc/70/19/41/386701941.db2.gz CVMWYGXUTQPIQJ-QWRGUYRKSA-N 1 3 200.326 0.593 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H]1NCCCC1(C)C ZINC000417776710 386708507 /nfs/dbraw/zinc/70/85/07/386708507.db2.gz BGYLSGGILXHIOE-SNVBAGLBSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@]1(F)CNCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000335481936 386708690 /nfs/dbraw/zinc/70/86/90/386708690.db2.gz XYHWMNZEYHNVRM-NEPJUHHUSA-N 1 3 229.343 0.619 20 0 BCADHO C[C@@H](CC(=O)NCCN(C)C)C1CC[NH2+]CC1 ZINC000357248630 386744581 /nfs/dbraw/zinc/74/45/81/386744581.db2.gz RISAXVRSWJDVFU-NSHDSACASA-N 1 3 241.379 0.690 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000638508634 386747658 /nfs/dbraw/zinc/74/76/58/386747658.db2.gz OOMWGZNJKAZQTH-SECBINFHSA-N 1 3 223.320 0.269 20 0 BCADHO C[NH+](C)C1(CNC(=O)CN)Cc2ccccc2C1 ZINC000269246065 386766059 /nfs/dbraw/zinc/76/60/59/386766059.db2.gz DSZVHCDHLYFAHE-UHFFFAOYSA-N 1 3 247.342 0.161 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417810886 386789722 /nfs/dbraw/zinc/78/97/22/386789722.db2.gz IZQUPTVJIHVSSF-WYUUTHIRSA-N 1 3 239.363 0.570 20 0 BCADHO CN(CC[NH3+])C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000417830461 386791551 /nfs/dbraw/zinc/79/15/51/386791551.db2.gz GZEHMYZIRGVCRA-NSHDSACASA-N 1 3 239.294 0.285 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417834686 386792563 /nfs/dbraw/zinc/79/25/63/386792563.db2.gz NGLJKVQCBPEVKT-VHSXEESVSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000417812607 386780608 /nfs/dbraw/zinc/78/06/08/386780608.db2.gz PVRZPUMMMGLRCP-MIMYLULJSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000417813080 386781475 /nfs/dbraw/zinc/78/14/75/386781475.db2.gz QTMFNARCDMUJCV-KKOKHZNYSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C[C@@H]1C[NH3+] ZINC000417827129 386784562 /nfs/dbraw/zinc/78/45/62/386784562.db2.gz CVAPQGDUEUNYCU-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[NH3+] ZINC000417827071 386785161 /nfs/dbraw/zinc/78/51/61/386785161.db2.gz FFTJFIIPYIBZOQ-LBPRGKRZSA-N 1 3 235.331 0.714 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H]1NCCCC1(C)C ZINC000417808503 386788060 /nfs/dbraw/zinc/78/80/60/386788060.db2.gz JSZTURGBTNQWEH-JTQLQIEISA-N 1 3 227.352 0.490 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1NCCCC1(C)C ZINC000417809266 386788274 /nfs/dbraw/zinc/78/82/74/386788274.db2.gz GTELZMMSLCBDND-NSHDSACASA-N 1 3 241.379 0.880 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000417837016 386796843 /nfs/dbraw/zinc/79/68/43/386796843.db2.gz PBSBCOIGJSZNBY-JTQLQIEISA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)NCCCC[NH3+])CCCN1C ZINC000418001879 386819737 /nfs/dbraw/zinc/81/97/37/386819737.db2.gz LHSVKJZYNUJREQ-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417841824 386799906 /nfs/dbraw/zinc/79/99/06/386799906.db2.gz UGZSROQCRDBSLF-CABZTGNLSA-N 1 3 239.363 0.761 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417851717 386801914 /nfs/dbraw/zinc/80/19/14/386801914.db2.gz NPSLLXUORDBMPL-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000417852287 386803289 /nfs/dbraw/zinc/80/32/89/386803289.db2.gz NYIFQBVVTPANSU-IWSPIJDZSA-N 1 3 249.305 0.473 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@H](C(C)C)N(C)C ZINC000638517271 386803834 /nfs/dbraw/zinc/80/38/34/386803834.db2.gz QEOAXAOPCPLWKI-JTQLQIEISA-N 1 3 215.341 0.380 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N(C)C2C[NH2+]C2)CCCN1C ZINC000417997358 386807447 /nfs/dbraw/zinc/80/74/47/386807447.db2.gz FTOXZAYBIPPEPS-KOLCDFICSA-N 1 3 240.351 0.082 20 0 BCADHO FC1(F)CCNC[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC000334833307 386872799 /nfs/dbraw/zinc/87/27/99/386872799.db2.gz OXXPLKXAMGMBOD-BDAKNGLRSA-N 1 3 219.279 0.325 20 0 BCADHO C[C@@H](CNC(=O)C1CCN(C)CC1)C[NH+](C)C ZINC000341285423 386876217 /nfs/dbraw/zinc/87/62/17/386876217.db2.gz YFMICWSAWOSJPN-NSHDSACASA-N 1 3 241.379 0.642 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418010096 386881466 /nfs/dbraw/zinc/88/14/66/386881466.db2.gz VKDUBHXCHAPSGW-OUAUKWLOSA-N 1 3 242.367 0.376 20 0 BCADHO NC(C(=O)NC1CCC([NH3+])CC1)C(F)(F)F ZINC000334840054 386883867 /nfs/dbraw/zinc/88/38/67/386883867.db2.gz VOMRZAOQSAMHIR-KPGICGJXSA-N 1 3 239.241 0.262 20 0 BCADHO C[NH2+]CCCNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418009989 386885441 /nfs/dbraw/zinc/88/54/41/386885441.db2.gz VDWDIVQXIIPOAZ-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H](NC(=O)N[C@H]1CCN(C2CC2)C1)[C@H](C)[NH3+] ZINC000331746174 386890135 /nfs/dbraw/zinc/89/01/35/386890135.db2.gz DBYOWNLCCYCFLU-AEJSXWLSSA-N 1 3 240.351 0.258 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000125905112 386917850 /nfs/dbraw/zinc/91/78/50/386917850.db2.gz BRVBVCCRVRHMHO-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO FC1(F)CCNC[C@@H]1NCC1CC[NH2+]CC1 ZINC000334849163 386897829 /nfs/dbraw/zinc/89/78/29/386897829.db2.gz VOSKHENXSVDKIV-JTQLQIEISA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@H]1CN[C@H]1CCC[NH2+]C1 ZINC000334849605 386899070 /nfs/dbraw/zinc/89/90/70/386899070.db2.gz XEBMAEPMNZEWKF-UWVGGRQHSA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@H]1C[NH2+][C@H]1CCCNC1 ZINC000334849605 386899075 /nfs/dbraw/zinc/89/90/75/386899075.db2.gz XEBMAEPMNZEWKF-UWVGGRQHSA-N 1 3 233.306 0.573 20 0 BCADHO N[C@H](C(=O)NCC1([NH3+])CCCCC1)C1CCC1 ZINC000331874304 386919803 /nfs/dbraw/zinc/91/98/03/386919803.db2.gz MKYIDRGNDAIWRM-NSHDSACASA-N 1 3 239.363 0.892 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCN(C)C2)CCN1C ZINC000358259724 386922171 /nfs/dbraw/zinc/92/21/71/386922171.db2.gz USEWWZSHMVCCSK-UPJWGTAASA-N 1 3 241.379 0.125 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]21)N(C)C ZINC000368373771 386967139 /nfs/dbraw/zinc/96/71/39/386967139.db2.gz HEESXQBYDRNOGT-QJPTWQEYSA-N 1 3 239.363 0.393 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368368346 386967770 /nfs/dbraw/zinc/96/77/70/386967770.db2.gz BRKMBACWOUBSHA-OUAUKWLOSA-N 1 3 239.363 0.570 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368388159 386969900 /nfs/dbraw/zinc/96/99/00/386969900.db2.gz PLJOUUNFVCMIHV-SRVKXCTJSA-N 1 3 237.347 0.339 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](COC)C1 ZINC000518990831 386975205 /nfs/dbraw/zinc/97/52/05/386975205.db2.gz SONIKZUUODTDRB-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000518990831 386975207 /nfs/dbraw/zinc/97/52/07/386975207.db2.gz SONIKZUUODTDRB-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000518990831 386975210 /nfs/dbraw/zinc/97/52/10/386975210.db2.gz SONIKZUUODTDRB-NEPJUHHUSA-N 1 3 230.352 0.315 20 0 BCADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000341906114 386988449 /nfs/dbraw/zinc/98/84/49/386988449.db2.gz WTKKQLKHCXIXRH-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)CC(N)=O)C1 ZINC000341906114 386988451 /nfs/dbraw/zinc/98/84/51/386988451.db2.gz WTKKQLKHCXIXRH-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)CC(N)=O)C1 ZINC000341906114 386988455 /nfs/dbraw/zinc/98/84/55/386988455.db2.gz WTKKQLKHCXIXRH-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426054 386997227 /nfs/dbraw/zinc/99/72/27/386997227.db2.gz XJJHSXQKIOSLCX-QWRGUYRKSA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C ZINC000368684619 387002017 /nfs/dbraw/zinc/00/20/17/387002017.db2.gz VQQHJUPZLJZYOE-GHMZBOCLSA-N 1 3 227.352 0.298 20 0 BCADHO C[C@H]1NCCN(C(=O)NCC2([NH3+])CCC2)[C@@H]1C ZINC000334933124 387008929 /nfs/dbraw/zinc/00/89/29/387008929.db2.gz UIZPXMLYFYMYJE-NXEZZACHSA-N 1 3 240.351 0.260 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000104418493 387005390 /nfs/dbraw/zinc/00/53/90/387005390.db2.gz YWJVTTDCPQVGQL-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000334929481 387006105 /nfs/dbraw/zinc/00/61/05/387006105.db2.gz MSIMXBFFBZUIPW-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO [NH3+]CC1(CC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000514598971 387006909 /nfs/dbraw/zinc/00/69/09/387006909.db2.gz HJKLRLKVZMTTBS-JTQLQIEISA-N 1 3 237.347 0.468 20 0 BCADHO C[C@H]1C[C@@H](CN2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821370 386950091 /nfs/dbraw/zinc/95/00/91/386950091.db2.gz YAEHNNJYBUQUKS-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C)CC[C@H]1C ZINC000334953652 387030343 /nfs/dbraw/zinc/03/03/43/387030343.db2.gz SNSRZQIKVRHTDA-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@H]1CCC[NH2+]1 ZINC000648106426 387034575 /nfs/dbraw/zinc/03/45/75/387034575.db2.gz OAPOIFNGWYIABF-GFCCVEGCSA-N 1 3 246.314 0.418 20 0 BCADHO C[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106580 387038194 /nfs/dbraw/zinc/03/81/94/387038194.db2.gz BSVWEPWUWHVURB-ZETCQYMHSA-N 1 3 220.276 0.013 20 0 BCADHO C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106579 387039718 /nfs/dbraw/zinc/03/97/18/387039718.db2.gz BSVWEPWUWHVURB-SSDOTTSWSA-N 1 3 220.276 0.013 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399022270 387041367 /nfs/dbraw/zinc/04/13/67/387041367.db2.gz HSIZAGMXJATVIF-NSHDSACASA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106824 387041657 /nfs/dbraw/zinc/04/16/57/387041657.db2.gz ZZGCWBXFLQHFQO-SECBINFHSA-N 1 3 248.330 0.793 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H](N)C1CCC1 ZINC000399021486 387041637 /nfs/dbraw/zinc/04/16/37/387041637.db2.gz HODNJMFAVLGVDN-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)C1CCC1 ZINC000399022268 387042019 /nfs/dbraw/zinc/04/20/19/387042019.db2.gz HSIZAGMXJATVIF-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CCN(CC)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000070074084 387044119 /nfs/dbraw/zinc/04/41/19/387044119.db2.gz YMFDTEFPNHWBKD-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000648107552 387044975 /nfs/dbraw/zinc/04/49/75/387044975.db2.gz GUDNLQWZXTUCGZ-JGVFFNPUSA-N 1 3 235.278 0.085 20 0 BCADHO C[C@@H]1NCCN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H]1C ZINC000333706997 387051397 /nfs/dbraw/zinc/05/13/97/387051397.db2.gz RQIHRPROKAAMJF-DCAQKATOSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])[C@@H](C)CN1 ZINC000648107968 387051814 /nfs/dbraw/zinc/05/18/14/387051814.db2.gz HTJMBUZECWCALG-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CCCN1C ZINC000228005484 387060419 /nfs/dbraw/zinc/06/04/19/387060419.db2.gz RKTASHQZCMEGAF-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000334934372 387011162 /nfs/dbraw/zinc/01/11/62/387011162.db2.gz APCOAERMMSLTSL-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO CC(C)[C@@H](C(=O)NCCN(C)C)[C@H](C)[NH3+] ZINC000399483420 387011767 /nfs/dbraw/zinc/01/17/67/387011767.db2.gz CUIWLXIEXGVPSN-VHSXEESVSA-N 1 3 215.341 0.284 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CCCNCC1 ZINC000334939734 387015854 /nfs/dbraw/zinc/01/58/54/387015854.db2.gz FFYFLNDCGPKFJP-GHMZBOCLSA-N 1 3 240.351 0.119 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000519180017 387029871 /nfs/dbraw/zinc/02/98/71/387029871.db2.gz GJYUTDRFEOVILI-DTWKUNHWSA-N 1 3 213.325 0.099 20 0 BCADHO COC[C@@H]1CN(CCC2CC[NH2+]CC2)CCO1 ZINC000359224905 387068894 /nfs/dbraw/zinc/06/88/94/387068894.db2.gz TZLWYMMYTHKKOX-ZDUSSCGKSA-N 1 3 242.363 0.723 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)C[N@H+](C)CCC ZINC000359220343 387070078 /nfs/dbraw/zinc/07/00/78/387070078.db2.gz QDNQIPWCFUWNCC-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)C[N@@H+](C)CCC ZINC000359220343 387070081 /nfs/dbraw/zinc/07/00/81/387070081.db2.gz QDNQIPWCFUWNCC-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1CCN1CCOCC1 ZINC000111380600 387076972 /nfs/dbraw/zinc/07/69/72/387076972.db2.gz RALICVUTQVIZGI-CYBMUJFWSA-N 1 3 241.379 0.522 20 0 BCADHO NC1(C(=O)NCC2=CC[NH2+]CC2)CCCC1 ZINC000186367754 387099250 /nfs/dbraw/zinc/09/92/50/387099250.db2.gz NGDATSFQGLEZFH-UHFFFAOYSA-N 1 3 223.320 0.294 20 0 BCADHO CCC[C@@H](N)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495911 387099559 /nfs/dbraw/zinc/09/95/59/387099559.db2.gz BYQZDXJNDKTQEY-CMPLNLGQSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000334950430 387114025 /nfs/dbraw/zinc/11/40/25/387114025.db2.gz LHEXOOJTABRGAE-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)C(N)C(F)(F)F ZINC000353163311 387148717 /nfs/dbraw/zinc/14/87/17/387148717.db2.gz BPIGBDLOMTXELI-LURJTMIESA-N 1 3 241.257 0.319 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)C(N)C(F)(F)F ZINC000353163552 387148854 /nfs/dbraw/zinc/14/88/54/387148854.db2.gz CCAKYDWTTHIFFD-ZCFIWIBFSA-N 1 3 241.257 0.510 20 0 BCADHO CCC[NH2+]CCN[C@@H]1CN(CC)C[C@@H]1C ZINC000423313495 387151698 /nfs/dbraw/zinc/15/16/98/387151698.db2.gz ULYKANSQSRJLDP-NWDGAFQWSA-N 1 3 213.369 0.916 20 0 BCADHO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000353186206 387153201 /nfs/dbraw/zinc/15/32/01/387153201.db2.gz QJVWSSFZILVPQR-WCQGTBRESA-N 1 3 239.363 0.569 20 0 BCADHO CC(C)(CO)C[NH2+][C@H]1CCC[C@H]1CN ZINC000168604203 387166407 /nfs/dbraw/zinc/16/64/07/387166407.db2.gz MPLMZYULSWCRKR-UWVGGRQHSA-N 1 3 200.326 0.722 20 0 BCADHO CN(CCO)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371206376 387172939 /nfs/dbraw/zinc/17/29/39/387172939.db2.gz YKEZBSCOUDFVQV-CYBMUJFWSA-N 1 3 241.379 0.079 20 0 BCADHO CN(CCO)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371206376 387172942 /nfs/dbraw/zinc/17/29/42/387172942.db2.gz YKEZBSCOUDFVQV-CYBMUJFWSA-N 1 3 241.379 0.079 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371230834 387177272 /nfs/dbraw/zinc/17/72/72/387177272.db2.gz NKAVIPBFBBBJAX-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)C2CC2)CN1C1CC1 ZINC000423337686 387186765 /nfs/dbraw/zinc/18/67/65/387186765.db2.gz YRGZBMZFXPNLJH-SUZMYJTESA-N 1 3 223.364 0.939 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942925 387187511 /nfs/dbraw/zinc/18/75/11/387187511.db2.gz LQBUWMWOHOQPGB-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942925 387187516 /nfs/dbraw/zinc/18/75/16/387187516.db2.gz LQBUWMWOHOQPGB-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO O=C([C@H]1CCC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000062973012 387188814 /nfs/dbraw/zinc/18/88/14/387188814.db2.gz KWEGNWOREFLAKH-NWDGAFQWSA-N 1 3 237.347 0.435 20 0 BCADHO CCN1CCC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000423355102 387204896 /nfs/dbraw/zinc/20/48/96/387204896.db2.gz OOPDGMDKBPEBGD-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)NCC[C@H]1CCC[NH2+]1 ZINC000423356500 387207719 /nfs/dbraw/zinc/20/77/19/387207719.db2.gz JZYUGLTXBUFMIG-XQQFMLRXSA-N 1 3 241.379 0.485 20 0 BCADHO CCN(CC)CC(=O)NC1(C)CC[NH2+]CC1 ZINC000193356555 387209962 /nfs/dbraw/zinc/20/99/62/387209962.db2.gz YYCNUVJXYBRKBN-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO COCCN1CC[C@H](NCC[C@H]2CCC[NH2+]2)C1 ZINC000423362133 387213341 /nfs/dbraw/zinc/21/33/41/387213341.db2.gz MUDNZSQRPFMQQJ-OLZOCXBDSA-N 1 3 241.379 0.439 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)CN(C)C ZINC000418194058 387213381 /nfs/dbraw/zinc/21/33/81/387213381.db2.gz DQNZXMARLXWWJP-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000360105005 387226693 /nfs/dbraw/zinc/22/66/93/387226693.db2.gz PCXUSTWARSOZEY-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN(C)C ZINC000360134429 387231852 /nfs/dbraw/zinc/23/18/52/387231852.db2.gz GIUUBWWSJPCMIN-LLVKDONJSA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCN(C)C ZINC000360134429 387231855 /nfs/dbraw/zinc/23/18/55/387231855.db2.gz GIUUBWWSJPCMIN-LLVKDONJSA-N 1 3 244.383 0.576 20 0 BCADHO CCN(C)CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572147852 387242546 /nfs/dbraw/zinc/24/25/46/387242546.db2.gz RNOAMHLDVAQGKX-VXGBXAGGSA-N 1 3 213.369 0.916 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000423406273 387243858 /nfs/dbraw/zinc/24/38/58/387243858.db2.gz UOEQPXOWUKXKGO-YTWAJWBKSA-N 1 3 200.326 0.997 20 0 BCADHO CO[C@H](C)[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423406273 387243863 /nfs/dbraw/zinc/24/38/63/387243863.db2.gz UOEQPXOWUKXKGO-YTWAJWBKSA-N 1 3 200.326 0.997 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000352483113 387248665 /nfs/dbraw/zinc/24/86/65/387248665.db2.gz YFZUQSKEEZXEPE-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000352483113 387248670 /nfs/dbraw/zinc/24/86/70/387248670.db2.gz YFZUQSKEEZXEPE-IJLUTSLNSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000572155575 387251352 /nfs/dbraw/zinc/25/13/52/387251352.db2.gz MBKSFLCRQTUXHM-VHSXEESVSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@@H](N)C1CCC1)C1CC1 ZINC000423349206 387199480 /nfs/dbraw/zinc/19/94/80/387199480.db2.gz WCHBVIBMBZWDKL-RYUDHWBXSA-N 1 3 239.363 0.570 20 0 BCADHO CCOC[C@H]1CCC[C@@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423463901 387313072 /nfs/dbraw/zinc/31/30/72/387313072.db2.gz WNGNUXZIBJFTHV-BNDIWNMDSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423465549 387313306 /nfs/dbraw/zinc/31/33/06/387313306.db2.gz WOOCNPLQHLSWDK-ZYHUDNBSSA-N 1 3 241.379 0.995 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC[C@@H](N)c1ccccc1 ZINC000514936449 387315761 /nfs/dbraw/zinc/31/57/61/387315761.db2.gz TYLJTAFTUMTHKM-CMPLNLGQSA-N 1 3 235.331 0.930 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1C[C@H](F)CN1 ZINC000188186940 387257477 /nfs/dbraw/zinc/25/74/77/387257477.db2.gz BNAPQZRMZACXIW-LPEHRKFASA-N 1 3 231.315 0.320 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCCN(C)C1 ZINC000645684865 387269250 /nfs/dbraw/zinc/26/92/50/387269250.db2.gz JSOMRTBYEPSAAP-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](N[C@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473890 387319265 /nfs/dbraw/zinc/31/92/65/387319265.db2.gz GYIYMBHUGIFJHO-UTLUCORTSA-N 1 3 233.306 0.714 20 0 BCADHO CC[C@H](N)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423441198 387289753 /nfs/dbraw/zinc/28/97/53/387289753.db2.gz AZVSATVIWNAVTD-DCAQKATOSA-N 1 3 211.353 0.939 20 0 BCADHO CC[C@H]([NH3+])CN[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000423441198 387289758 /nfs/dbraw/zinc/28/97/58/387289758.db2.gz AZVSATVIWNAVTD-DCAQKATOSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000648121500 387309438 /nfs/dbraw/zinc/30/94/38/387309438.db2.gz QRJJCFZQUKROLS-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N(C)C ZINC000423461561 387309501 /nfs/dbraw/zinc/30/95/01/387309501.db2.gz JUJYSIKNFQHDEM-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CNC2 ZINC000336538624 387358841 /nfs/dbraw/zinc/35/88/41/387358841.db2.gz KESWKZXYEMEUBV-ZDUSSCGKSA-N 1 3 245.326 0.772 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000423533449 387360620 /nfs/dbraw/zinc/36/06/20/387360620.db2.gz TWVCKFWBQAYVFM-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO COCCN1CC[C@@H](N[C@@H]2CCCC[NH2+]C2)C1 ZINC000423544419 387368522 /nfs/dbraw/zinc/36/85/22/387368522.db2.gz CZZUSDIUWYTGML-CHWSQXEVSA-N 1 3 241.379 0.439 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000423565728 387377161 /nfs/dbraw/zinc/37/71/61/387377161.db2.gz TVCMOEZKNMDWES-NSHDSACASA-N 1 3 239.363 0.775 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCNC1CC1 ZINC000423565728 387377167 /nfs/dbraw/zinc/37/71/67/387377167.db2.gz TVCMOEZKNMDWES-NSHDSACASA-N 1 3 239.363 0.775 20 0 BCADHO Cc1ncc(CNCCOCC[NH+](C)C)n1C ZINC000515434492 387379947 /nfs/dbraw/zinc/37/99/47/387379947.db2.gz KZKPZLZBQCSHKS-UHFFFAOYSA-N 1 3 240.351 0.396 20 0 BCADHO C[C@H](NC[C@@H]1CNCCO1)[C@H]1CCCC[NH2+]1 ZINC000423571217 387379986 /nfs/dbraw/zinc/37/99/86/387379986.db2.gz NGSPENQVFLFISB-SDDRHHMPSA-N 1 3 227.352 0.095 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000643462779 387321446 /nfs/dbraw/zinc/32/14/46/387321446.db2.gz LVWJYTBXCFHSJA-XQQFMLRXSA-N 1 3 223.364 0.940 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1 ZINC000648121705 387324904 /nfs/dbraw/zinc/32/49/04/387324904.db2.gz REPAUQWGXKZYTG-OUAUKWLOSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336559308 387382670 /nfs/dbraw/zinc/38/26/70/387382670.db2.gz DRJAFJLYVRGSSG-VXGBXAGGSA-N 1 3 239.363 0.395 20 0 BCADHO COC[C@@H](O)CNC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000515054271 387326072 /nfs/dbraw/zinc/32/60/72/387326072.db2.gz FGJDAOLIDUMIAY-OLZOCXBDSA-N 1 3 244.379 0.561 20 0 BCADHO COC[C@@H](O)CNC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000515054271 387326074 /nfs/dbraw/zinc/32/60/74/387326074.db2.gz FGJDAOLIDUMIAY-OLZOCXBDSA-N 1 3 244.379 0.561 20 0 BCADHO COC[C@@H](O)CNC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000515054272 387326511 /nfs/dbraw/zinc/32/65/11/387326511.db2.gz FGJDAOLIDUMIAY-STQMWFEESA-N 1 3 244.379 0.561 20 0 BCADHO COC[C@@H](O)CNC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000515054272 387326516 /nfs/dbraw/zinc/32/65/16/387326516.db2.gz FGJDAOLIDUMIAY-STQMWFEESA-N 1 3 244.379 0.561 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000515060723 387328621 /nfs/dbraw/zinc/32/86/21/387328621.db2.gz JVUIERIICMHQRQ-JBLDHEPKSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000515060724 387329062 /nfs/dbraw/zinc/32/90/62/387329062.db2.gz JVUIERIICMHQRQ-JFGNBEQYSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000515060725 387329303 /nfs/dbraw/zinc/32/93/03/387329303.db2.gz JVUIERIICMHQRQ-NHCYSSNCSA-N 1 3 227.352 0.557 20 0 BCADHO CCC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000423488880 387334143 /nfs/dbraw/zinc/33/41/43/387334143.db2.gz ZJFQOXBVALFXOR-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](NC[C@@H]1CNCCN1C)[C@@H]1CCCC[NH2+]1 ZINC000423507083 387345486 /nfs/dbraw/zinc/34/54/86/387345486.db2.gz HPJYHWYXOZNWIF-AGIUHOORSA-N 1 3 240.395 0.010 20 0 BCADHO CC(C)(C)CC[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572378711 387351411 /nfs/dbraw/zinc/35/14/11/387351411.db2.gz PERKYIYQUCQUNR-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)(C)CC[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572378711 387351419 /nfs/dbraw/zinc/35/14/19/387351419.db2.gz PERKYIYQUCQUNR-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH+](C)CCC1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000361296094 387433517 /nfs/dbraw/zinc/43/35/17/387433517.db2.gz IRZGWYGIZJYGOF-CHWSQXEVSA-N 1 3 242.363 0.410 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423842128 387434786 /nfs/dbraw/zinc/43/47/86/387434786.db2.gz GMEZCGOUEPJXPD-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N(C)CCN(C)C1CC1 ZINC000423845192 387435196 /nfs/dbraw/zinc/43/51/96/387435196.db2.gz KBFWPIKVJHDQIE-GFCCVEGCSA-N 1 3 241.379 0.770 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000423852545 387437084 /nfs/dbraw/zinc/43/70/84/387437084.db2.gz SIXVNFMGUQQADI-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)CCN(C)C1CC1 ZINC000423855061 387437526 /nfs/dbraw/zinc/43/75/26/387437526.db2.gz WNMONYOKIASBCG-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423852103 387437872 /nfs/dbraw/zinc/43/78/72/387437872.db2.gz RXTHRDMUBRCMTJ-GXSJLCMTSA-N 1 3 243.326 0.239 20 0 BCADHO CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423852103 387437878 /nfs/dbraw/zinc/43/78/78/387437878.db2.gz RXTHRDMUBRCMTJ-GXSJLCMTSA-N 1 3 243.326 0.239 20 0 BCADHO C[NH+](C)CC1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000304207812 387448138 /nfs/dbraw/zinc/44/81/38/387448138.db2.gz DHCXZLSCHUZIMS-VXGBXAGGSA-N 1 3 228.336 0.020 20 0 BCADHO CN1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000336616472 387456543 /nfs/dbraw/zinc/45/65/43/387456543.db2.gz HWNKDLJXYNDEJT-GFCCVEGCSA-N 1 3 237.347 0.316 20 0 BCADHO CN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000336616472 387456546 /nfs/dbraw/zinc/45/65/46/387456546.db2.gz HWNKDLJXYNDEJT-GFCCVEGCSA-N 1 3 237.347 0.316 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H]1CC[NH2+]1 ZINC000423952228 387457631 /nfs/dbraw/zinc/45/76/31/387457631.db2.gz ZYCXXVLZBSWXNB-CHWSQXEVSA-N 1 3 247.342 0.727 20 0 BCADHO CCC[C@H](C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)N(C)C ZINC000423620298 387388267 /nfs/dbraw/zinc/38/82/67/387388267.db2.gz JHMVWJMCGASVHC-SDDRHHMPSA-N 1 3 241.379 0.973 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423967926 387460233 /nfs/dbraw/zinc/46/02/33/387460233.db2.gz TXIRVTKSPLZCFO-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000423730680 387402707 /nfs/dbraw/zinc/40/27/07/387402707.db2.gz NLUXGSWKMVELAS-CYBMUJFWSA-N 1 3 247.342 0.726 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423974747 387460663 /nfs/dbraw/zinc/46/06/63/387460663.db2.gz LDFILNOEFPLSRH-UWVGGRQHSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000423776974 387423240 /nfs/dbraw/zinc/42/32/40/387423240.db2.gz QXOFSAXHCHZMAC-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000423776974 387423241 /nfs/dbraw/zinc/42/32/41/387423241.db2.gz QXOFSAXHCHZMAC-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000355327466 387522039 /nfs/dbraw/zinc/52/20/39/387522039.db2.gz WUJWOIREXRFEFK-NWDGAFQWSA-N 1 3 230.352 0.267 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000355327466 387522043 /nfs/dbraw/zinc/52/20/43/387522043.db2.gz WUJWOIREXRFEFK-NWDGAFQWSA-N 1 3 230.352 0.267 20 0 BCADHO CC[C@@H](C(=O)N(C)CC[NH3+])N(CC)CC ZINC000424003128 387464235 /nfs/dbraw/zinc/46/42/35/387464235.db2.gz KASVYLRKSDAYAQ-JTQLQIEISA-N 1 3 215.341 0.524 20 0 BCADHO CCN(CC)CC(=O)N(C)CCC[NH2+]C ZINC000424023434 387469059 /nfs/dbraw/zinc/46/90/59/387469059.db2.gz VXKBLFXBWJONQK-UHFFFAOYSA-N 1 3 215.341 0.396 20 0 BCADHO C[C@@H](C(=O)N1C[C@H](N)Cc2ccccc21)[C@H](C)[NH3+] ZINC000424078326 387479549 /nfs/dbraw/zinc/47/95/49/387479549.db2.gz QLBDXJMNKDRWKK-JFGNBEQYSA-N 1 3 247.342 0.886 20 0 BCADHO C[NH2+]CCCC(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000424077910 387479636 /nfs/dbraw/zinc/47/96/36/387479636.db2.gz PSXPPBPATWNJDK-LBPRGKRZSA-N 1 3 247.342 0.903 20 0 BCADHO CCN(CC)C(=O)CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000396746741 387489003 /nfs/dbraw/zinc/48/90/03/387489003.db2.gz ZRAZKPFAJIOPAE-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CC[C@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040833011 387583706 /nfs/dbraw/zinc/58/37/06/387583706.db2.gz AVFZFLYMSPTOOZ-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H](C)N1 ZINC000422545933 387596655 /nfs/dbraw/zinc/59/66/55/387596655.db2.gz YDHYEKYQPFFHJB-NGZCFLSTSA-N 1 3 225.336 0.323 20 0 BCADHO CNCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422541073 387597515 /nfs/dbraw/zinc/59/75/15/387597515.db2.gz NIOAFTHCXGPQKH-AEJSXWLSSA-N 1 3 213.325 0.038 20 0 BCADHO CCCCN(C)CCN[C@H](C)C1C[NH2+]C1 ZINC000422715601 387629073 /nfs/dbraw/zinc/62/90/73/387629073.db2.gz SQGYDTXLWLDOHB-LLVKDONJSA-N 1 3 213.369 0.916 20 0 BCADHO CCC[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000422682780 387610424 /nfs/dbraw/zinc/61/04/24/387610424.db2.gz BPHMCWYTPPZOLF-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CCC(CC)[C@H](O)CN[C@H](C)C1C[NH2+]C1 ZINC000422700871 387614595 /nfs/dbraw/zinc/61/45/95/387614595.db2.gz AYBMKJCRZQUJQN-BXKDBHETSA-N 1 3 214.353 0.981 20 0 BCADHO CCC(CC)[C@H](O)C[NH2+][C@H](C)C1CNC1 ZINC000422700871 387614599 /nfs/dbraw/zinc/61/45/99/387614599.db2.gz AYBMKJCRZQUJQN-BXKDBHETSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H](C(=O)NC1CC[NH+](C)CC1)N(C)C ZINC000124575182 387623884 /nfs/dbraw/zinc/62/38/84/387623884.db2.gz MHBYOWOCIRMTPH-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422712694 387626233 /nfs/dbraw/zinc/62/62/33/387626233.db2.gz ONTIPHKYGIMELX-JHJVBQTASA-N 1 3 243.395 0.813 20 0 BCADHO CN(CCCO)CC[N@H+](C)C1CCN(C)CC1 ZINC000305698635 387627245 /nfs/dbraw/zinc/62/72/45/387627245.db2.gz VLWRFKOYMVIYGP-UHFFFAOYSA-N 1 3 243.395 0.327 20 0 BCADHO CN(CCCO)CC[N@@H+](C)C1CCN(C)CC1 ZINC000305698635 387627246 /nfs/dbraw/zinc/62/72/46/387627246.db2.gz VLWRFKOYMVIYGP-UHFFFAOYSA-N 1 3 243.395 0.327 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1C)[C@H](C)[NH3+] ZINC000399640655 387564095 /nfs/dbraw/zinc/56/40/95/387564095.db2.gz KCBGKNDBRBCNHM-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H](C(=O)NCCN(C)C1CC1)[C@@H](C)[NH3+] ZINC000399626344 387564220 /nfs/dbraw/zinc/56/42/20/387564220.db2.gz DREROQHYDLTPDK-PWSUYJOCSA-N 1 3 241.379 0.816 20 0 BCADHO CCN(C)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399725637 387568171 /nfs/dbraw/zinc/56/81/71/387568171.db2.gz KAEIPPLJHPEDCW-QWRGUYRKSA-N 1 3 229.368 0.674 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042290 387569865 /nfs/dbraw/zinc/56/98/65/387569865.db2.gz PZZWQFRSXOVIAT-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO [NH3+]CC1CCN(CCN2CCCC2=O)CC1 ZINC000430629387 387635674 /nfs/dbraw/zinc/63/56/74/387635674.db2.gz QEHAXRPZJGBHDN-UHFFFAOYSA-N 1 3 225.336 0.280 20 0 BCADHO CCN(CC)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356273131 387636144 /nfs/dbraw/zinc/63/61/44/387636144.db2.gz DVFRVHJXKQYXIB-UHFFFAOYSA-N 1 3 241.379 0.881 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCCn1ccnc1 ZINC000422728325 387638825 /nfs/dbraw/zinc/63/88/25/387638825.db2.gz FTORYXIBJNHYEB-NWDGAFQWSA-N 1 3 222.336 0.861 20 0 BCADHO CCC[C@@H](C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000422728834 387638976 /nfs/dbraw/zinc/63/89/76/387638976.db2.gz JQKAJRHTESAHRE-LBPRGKRZSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[C@H](C(=O)NCCC[NH2+]C)N(C)C ZINC000422733869 387641162 /nfs/dbraw/zinc/64/11/62/387641162.db2.gz RUFDKYPGQKAJSJ-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430723178 387642552 /nfs/dbraw/zinc/64/25/52/387642552.db2.gz OGJPAKHRWYYCSS-WDEREUQCSA-N 1 3 241.379 0.864 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430749855 387646963 /nfs/dbraw/zinc/64/69/63/387646963.db2.gz XQBUVZPRLSIDPC-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430749855 387646966 /nfs/dbraw/zinc/64/69/66/387646966.db2.gz XQBUVZPRLSIDPC-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](C(=O)NCC[N@H+](C)CC)N(C)C ZINC000125219890 387647006 /nfs/dbraw/zinc/64/70/06/387647006.db2.gz WYJVBGSQRKVJRS-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO CC[C@@H](C(=O)NCC[N@@H+](C)CC)N(C)C ZINC000125219890 387647007 /nfs/dbraw/zinc/64/70/07/387647007.db2.gz WYJVBGSQRKVJRS-JTQLQIEISA-N 1 3 215.341 0.395 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422740217 387647473 /nfs/dbraw/zinc/64/74/73/387647473.db2.gz BCFQGCDJZBLEHL-WDEREUQCSA-N 1 3 239.363 0.749 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000430742262 387647622 /nfs/dbraw/zinc/64/76/22/387647622.db2.gz LESPMRXLXYXVSP-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)[N@H+]1CCCC[C@H]1C ZINC000430742262 387647626 /nfs/dbraw/zinc/64/76/26/387647626.db2.gz LESPMRXLXYXVSP-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000430772642 387649000 /nfs/dbraw/zinc/64/90/00/387649000.db2.gz CIDZKZSKHQOCIU-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)C[C@@H]1C ZINC000430795856 387650924 /nfs/dbraw/zinc/65/09/24/387650924.db2.gz IMXCEHWTVWYABR-AXFHLTTASA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)N)C[C@@H]1C ZINC000430795856 387650927 /nfs/dbraw/zinc/65/09/27/387650927.db2.gz IMXCEHWTVWYABR-AXFHLTTASA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)CC[NH3+])CCN1C ZINC000430792115 387652052 /nfs/dbraw/zinc/65/20/52/387652052.db2.gz HCKXFQYXZJCXNL-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[NH+](CC)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356394231 387653663 /nfs/dbraw/zinc/65/36/63/387653663.db2.gz SLHXBBZLYOCEQQ-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H](NC[C@H](O)CC(C)(C)C)C1C[NH2+]C1 ZINC000422752268 387654984 /nfs/dbraw/zinc/65/49/84/387654984.db2.gz CMFLOPXREWRJPV-MWLCHTKSSA-N 1 3 214.353 0.981 20 0 BCADHO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)C1CNC1 ZINC000422752268 387654988 /nfs/dbraw/zinc/65/49/88/387654988.db2.gz CMFLOPXREWRJPV-MWLCHTKSSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000430890635 387657946 /nfs/dbraw/zinc/65/79/46/387657946.db2.gz RHEYCIBDLHKVTP-NWDGAFQWSA-N 1 3 239.363 0.665 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362770828 387657879 /nfs/dbraw/zinc/65/78/79/387657879.db2.gz VHGPEADBUHYNEG-QWRGUYRKSA-N 1 3 227.352 0.252 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362770828 387657883 /nfs/dbraw/zinc/65/78/83/387657883.db2.gz VHGPEADBUHYNEG-QWRGUYRKSA-N 1 3 227.352 0.252 20 0 BCADHO CC(C)C(=O)NCCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422761692 387662980 /nfs/dbraw/zinc/66/29/80/387662980.db2.gz RMDAKBBSBGKIKI-NEPJUHHUSA-N 1 3 241.379 0.736 20 0 BCADHO CCCCNC(=O)CCN1CC[C@H](C[NH2+]C)C1 ZINC000430937507 387663392 /nfs/dbraw/zinc/66/33/92/387663392.db2.gz CHDXQWZOXQKVQL-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCN1CCCC1 ZINC000422763903 387665456 /nfs/dbraw/zinc/66/54/56/387665456.db2.gz OBAVCOZMGFOXAG-NWDGAFQWSA-N 1 3 211.353 0.670 20 0 BCADHO C[C@@H]1C[NH+](CCCN2CCOCC2)C[C@@H](C)N1 ZINC000430963431 387666184 /nfs/dbraw/zinc/66/61/84/387666184.db2.gz UYEMMTQCKIDMAA-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424137769 387667089 /nfs/dbraw/zinc/66/70/89/387667089.db2.gz SMTQZIZDAOCPDS-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000422769077 387667491 /nfs/dbraw/zinc/66/74/91/387667491.db2.gz SQOXGHWFWHRXES-AVGNSLFASA-N 1 3 243.395 0.670 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000376793979 387670036 /nfs/dbraw/zinc/67/00/36/387670036.db2.gz KICDCIIZYODGMQ-NSHDSACASA-N 1 3 225.336 0.006 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000431022915 387670406 /nfs/dbraw/zinc/67/04/06/387670406.db2.gz FXJAPMRBBGQPIO-HOSYDEDBSA-N 1 3 239.363 0.441 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138635 387671648 /nfs/dbraw/zinc/67/16/48/387671648.db2.gz DKAOWZODDPAKRB-TUAOUCFPSA-N 1 3 239.363 0.524 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424138635 387671649 /nfs/dbraw/zinc/67/16/49/387671649.db2.gz DKAOWZODDPAKRB-TUAOUCFPSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]2[NH3+])CCN1C ZINC000424138566 387673003 /nfs/dbraw/zinc/67/30/03/387673003.db2.gz DGCJQGRONRICKW-ZDCRXTMVSA-N 1 3 225.336 0.275 20 0 BCADHO CCC[C@@H](C(=O)NCC[C@@H](C)[NH3+])N(C)C ZINC000422782869 387681914 /nfs/dbraw/zinc/68/19/14/387681914.db2.gz NOIHAIPSEOERHE-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO COCCCN(C)CCN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422786194 387686362 /nfs/dbraw/zinc/68/63/62/387686362.db2.gz SIOUCYMWYWSUHG-OLZOCXBDSA-N 1 3 243.395 0.685 20 0 BCADHO COCCCN(C)CCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422786196 387687725 /nfs/dbraw/zinc/68/77/25/387687725.db2.gz SIOUCYMWYWSUHG-STQMWFEESA-N 1 3 243.395 0.685 20 0 BCADHO C[C@@H](N[C@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422743554 387691308 /nfs/dbraw/zinc/69/13/08/387691308.db2.gz RSALLRSFYKULGN-NTZNESFSSA-N 1 3 223.364 0.953 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000377739770 387745321 /nfs/dbraw/zinc/74/53/21/387745321.db2.gz BPQSCDIRBPWXKG-VXGBXAGGSA-N 1 3 241.379 0.688 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])N(C)C ZINC000422864481 387746546 /nfs/dbraw/zinc/74/65/46/387746546.db2.gz NEOVXFFAMMNSOR-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)N(C)C ZINC000422794698 387697230 /nfs/dbraw/zinc/69/72/30/387697230.db2.gz ZIWJXOAGPAQPHH-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO N[C@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422801811 387701563 /nfs/dbraw/zinc/70/15/63/387701563.db2.gz AQLFUHMSHFTCML-NWDGAFQWSA-N 1 3 211.353 0.942 20 0 BCADHO [NH3+][C@H]1CCC[C@H]1NCCN1CCCCC1 ZINC000422801811 387701568 /nfs/dbraw/zinc/70/15/68/387701568.db2.gz AQLFUHMSHFTCML-NWDGAFQWSA-N 1 3 211.353 0.942 20 0 BCADHO C[C@@H](NCCN1CCCCC1)C1C[NH2+]C1 ZINC000422801796 387703146 /nfs/dbraw/zinc/70/31/46/387703146.db2.gz APWROVCBGSNPGU-LLVKDONJSA-N 1 3 211.353 0.670 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000629614213 387717443 /nfs/dbraw/zinc/71/74/43/387717443.db2.gz IDLOYQMCPHTULZ-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO COC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000127587283 387719486 /nfs/dbraw/zinc/71/94/86/387719486.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000127587283 387719495 /nfs/dbraw/zinc/71/94/95/387719495.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000127587283 387719504 /nfs/dbraw/zinc/71/95/04/387719504.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000127587283 387719507 /nfs/dbraw/zinc/71/95/07/387719507.db2.gz ARZUJHBUGDKXMT-UPJWGTAASA-N 1 3 242.363 0.410 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)CN1CCC(C)CC1 ZINC000422830533 387722137 /nfs/dbraw/zinc/72/21/37/387722137.db2.gz IMPJTQBZGOGPFD-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H](O)C[C@H](C)CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000422789518 387731305 /nfs/dbraw/zinc/73/13/05/387731305.db2.gz TYZSXDXIFXXUQX-WHOHXGKFSA-N 1 3 214.353 0.981 20 0 BCADHO CO[C@@H]1C[C@@H](N[C@H](C)C2C[NH2+]C2)C1(C)C ZINC000422854298 387736790 /nfs/dbraw/zinc/73/67/90/387736790.db2.gz UAPMQDTVCKMHNY-FBIMIBRVSA-N 1 3 212.337 0.997 20 0 BCADHO CO[C@@H]1C[C@@H]([NH2+][C@H](C)C2CNC2)C1(C)C ZINC000422854298 387736794 /nfs/dbraw/zinc/73/67/94/387736794.db2.gz UAPMQDTVCKMHNY-FBIMIBRVSA-N 1 3 212.337 0.997 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424142709 387737316 /nfs/dbraw/zinc/73/73/16/387737316.db2.gz ITRASRYKDXAVGT-ZDCRXTMVSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCc1ccc2c(c1)CNC2 ZINC000367648385 387739229 /nfs/dbraw/zinc/73/92/29/387739229.db2.gz HVZRLRIFELEIFD-SECBINFHSA-N 1 3 233.315 0.501 20 0 BCADHO CCC[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000378172119 387769438 /nfs/dbraw/zinc/76/94/38/387769438.db2.gz XZWPXKXBGGOEPS-LBPRGKRZSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000441619184 387772623 /nfs/dbraw/zinc/77/26/23/387772623.db2.gz ZLRPFXZTKNFSPB-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO COc1ccc(C[C@H](C)NC[C@@H](C)[NH3+])cn1 ZINC000643529565 387774117 /nfs/dbraw/zinc/77/41/17/387774117.db2.gz BCQVDDPRVCYTOF-ZJUUUORDSA-N 1 3 223.320 0.958 20 0 BCADHO COc1ccc(C[C@@H](C)NC[C@H](C)[NH3+])cn1 ZINC000643529564 387775604 /nfs/dbraw/zinc/77/56/04/387775604.db2.gz BCQVDDPRVCYTOF-VHSXEESVSA-N 1 3 223.320 0.958 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000422924092 387777269 /nfs/dbraw/zinc/77/72/69/387777269.db2.gz XQGVVBLIFRGXOW-LPEHRKFASA-N 1 3 225.336 0.465 20 0 BCADHO CC(C)N1C[C@@H](N[C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927214 387780071 /nfs/dbraw/zinc/78/00/71/387780071.db2.gz YKADLUQMUWJRPV-DCAQKATOSA-N 1 3 227.352 0.711 20 0 BCADHO CC(C)NC(=O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422948055 387781661 /nfs/dbraw/zinc/78/16/61/387781661.db2.gz ZIAQJPMIHLHRJZ-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1CCN(CC(=O)NCCC[NH+](C)C)C1 ZINC000564049964 387812505 /nfs/dbraw/zinc/81/25/05/387812505.db2.gz VSZQAJWBWPZACB-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CC[C@@H](NC[C@H](O)CN(C)C)[C@@H]1CCC[NH2+]1 ZINC000422980250 387792043 /nfs/dbraw/zinc/79/20/43/387792043.db2.gz OZBUHILMJAJWNB-TUAOUCFPSA-N 1 3 229.368 0.029 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCn1cccn1 ZINC000422985199 387795542 /nfs/dbraw/zinc/79/55/42/387795542.db2.gz CNJYKVDHKAJHHY-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCn1cccn1 ZINC000422985197 387795718 /nfs/dbraw/zinc/79/57/18/387795718.db2.gz CNJYKVDHKAJHHY-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000432527710 387799517 /nfs/dbraw/zinc/79/95/17/387799517.db2.gz RGYIRXLHPYSHJW-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[C@H](Cn1cccn1)NC[C@@H](C)[NH3+] ZINC000643526927 387760582 /nfs/dbraw/zinc/76/05/82/387760582.db2.gz HQIDEHMUBMUOGF-MNOVXSKESA-N 1 3 210.325 0.845 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CN1C1CC1 ZINC000643537567 387872909 /nfs/dbraw/zinc/87/29/09/387872909.db2.gz LTQMSUYWXIRTEM-RHYQMDGZSA-N 1 3 241.354 0.901 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CN1C1CC1 ZINC000643537567 387872915 /nfs/dbraw/zinc/87/29/15/387872915.db2.gz LTQMSUYWXIRTEM-RHYQMDGZSA-N 1 3 241.354 0.901 20 0 BCADHO C[C@H](CCO)CN[C@H]1C[NH2+]CC[C@@H]1C ZINC000423007389 387828713 /nfs/dbraw/zinc/82/87/13/387828713.db2.gz QPFLKGQDLBDNEW-VWYCJHECSA-N 1 3 200.326 0.593 20 0 BCADHO CCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442721963 387829280 /nfs/dbraw/zinc/82/92/80/387829280.db2.gz WSQLBLDFDIYSMB-GRYCIOLGSA-N 1 3 239.363 0.857 20 0 BCADHO N[C@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423010298 387834516 /nfs/dbraw/zinc/83/45/16/387834516.db2.gz XKHNECMVCMHBDO-QWRGUYRKSA-N 1 3 220.320 0.963 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])CN1C1CC1 ZINC000424158631 387836477 /nfs/dbraw/zinc/83/64/77/387836477.db2.gz UDEDJAXJICGKGW-URPMGSGRSA-N 1 3 223.320 0.075 20 0 BCADHO C[N@H+]1C[C@H]2CN(CCCn3ccnc3)C[C@H]2C1 ZINC000193632490 387858895 /nfs/dbraw/zinc/85/88/95/387858895.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 1 3 234.347 0.767 20 0 BCADHO C[N@@H+]1C[C@H]2CN(CCCn3ccnc3)C[C@H]2C1 ZINC000193632490 387858896 /nfs/dbraw/zinc/85/88/96/387858896.db2.gz CIOOUVXPMUITFD-BETUJISGSA-N 1 3 234.347 0.767 20 0 BCADHO CO[C@H](C)CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000423061903 387867364 /nfs/dbraw/zinc/86/73/64/387867364.db2.gz RWNLYSSEJXSWQK-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)C[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000423061903 387867368 /nfs/dbraw/zinc/86/73/68/387867368.db2.gz RWNLYSSEJXSWQK-HBNTYKKESA-N 1 3 200.326 0.999 20 0 BCADHO CC[C@@H]1CN(C[C@@H](C)[NH3+])CCN1CCOC ZINC000442654357 387814031 /nfs/dbraw/zinc/81/40/31/387814031.db2.gz BFIHYMWILKSGTA-VXGBXAGGSA-N 1 3 229.368 0.376 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1NCCc2ccccc21 ZINC000424181172 387893711 /nfs/dbraw/zinc/89/37/11/387893711.db2.gz XDDYSRGBXASULS-YNEHKIRRSA-N 1 3 245.326 0.337 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537370 387875196 /nfs/dbraw/zinc/87/51/96/387875196.db2.gz GGAHJMNPXJNKJY-NAKRPEOUSA-N 1 3 215.316 0.226 20 0 BCADHO CO[C@H]1CCC[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000643539130 387877756 /nfs/dbraw/zinc/87/77/56/387877756.db2.gz RUDLMTDLINQTHZ-KKJSVHSVSA-N 1 3 210.321 0.751 20 0 BCADHO COC(=O)[C@H]1CC[C@@H](N[C@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000423082058 387878637 /nfs/dbraw/zinc/87/86/37/387878637.db2.gz CJDTXFNQDNRYHD-WRWGMCAJSA-N 1 3 240.347 0.916 20 0 BCADHO C[NH2+]CCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000157864147 387879708 /nfs/dbraw/zinc/87/97/08/387879708.db2.gz BZLFGZOCQVVPIX-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c(=O)n1C ZINC000423086559 387880819 /nfs/dbraw/zinc/88/08/19/387880819.db2.gz MDHNMPVKEBBUBO-DGCLKSJQSA-N 1 3 249.358 0.911 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NCCN1CC=CCC1 ZINC000423094544 387885258 /nfs/dbraw/zinc/88/52/58/387885258.db2.gz KJDWDJUSJMLSPO-NWDGAFQWSA-N 1 3 211.353 0.964 20 0 BCADHO C[C@@H]1CCNC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000423095245 387885806 /nfs/dbraw/zinc/88/58/06/387885806.db2.gz LTDVYGBIVFBPTD-OLZOCXBDSA-N 1 3 223.364 0.836 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000423116662 387898736 /nfs/dbraw/zinc/89/87/36/387898736.db2.gz QXOBSBBEGDVMIN-FIQHERPVSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000423116663 387899190 /nfs/dbraw/zinc/89/91/90/387899190.db2.gz QXOBSBBEGDVMIN-NNYUYHANSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184986 387899447 /nfs/dbraw/zinc/89/94/47/387899447.db2.gz YXFJVGNWGXUEEV-ZRUFSTJUSA-N 1 3 225.336 0.132 20 0 BCADHO CCC[C@@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236889844 387911054 /nfs/dbraw/zinc/91/10/54/387911054.db2.gz VZBUCQTYHMLWGZ-AYLPWXGPSA-N 1 3 239.363 0.855 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195231368 387911711 /nfs/dbraw/zinc/91/17/11/387911711.db2.gz ZCBNDKSKZLUVEH-KXUCPTDWSA-N 1 3 225.336 0.038 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](CO)C1CC1 ZINC000423138682 387916628 /nfs/dbraw/zinc/91/66/28/387916628.db2.gz JUHVTPSDDQQWHR-USWWRNFRSA-N 1 3 212.337 0.593 20 0 BCADHO CN(C)CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418344787 387917134 /nfs/dbraw/zinc/91/71/34/387917134.db2.gz KXKQERNCBYLEGE-NSHDSACASA-N 1 3 242.367 0.237 20 0 BCADHO COc1ncccc1CCNC1CC[NH2+]CC1 ZINC000423140025 387917486 /nfs/dbraw/zinc/91/74/86/387917486.db2.gz LZTHPOXUCOGZBZ-UHFFFAOYSA-N 1 3 235.331 0.974 20 0 BCADHO COc1ncccc1CC[NH2+]C1CCNCC1 ZINC000423140025 387917490 /nfs/dbraw/zinc/91/74/90/387917490.db2.gz LZTHPOXUCOGZBZ-UHFFFAOYSA-N 1 3 235.331 0.974 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000237929721 387929384 /nfs/dbraw/zinc/92/93/84/387929384.db2.gz DHBJQTMPYDSTFI-MNOVXSKESA-N 1 3 225.336 0.244 20 0 BCADHO NC[C@@H](C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000238009503 387931360 /nfs/dbraw/zinc/93/13/60/387931360.db2.gz ZJWZGOTVEDERED-CYBMUJFWSA-N 1 3 247.342 0.679 20 0 BCADHO N[C@H]1C[C@H]1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000424197306 387921967 /nfs/dbraw/zinc/92/19/67/387921967.db2.gz OATHPODBSNGYDG-AGIUHOORSA-N 1 3 247.342 0.930 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)CN)Cc1ccccc1 ZINC000237136634 387922109 /nfs/dbraw/zinc/92/21/09/387922109.db2.gz IXOMEICPBZWBOA-GFCCVEGCSA-N 1 3 235.331 0.234 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423147592 387924111 /nfs/dbraw/zinc/92/41/11/387924111.db2.gz DAVDOMCELHXEIT-LPWJVIDDSA-N 1 3 241.379 0.565 20 0 BCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCCCN1 ZINC000237963909 387927795 /nfs/dbraw/zinc/92/77/95/387927795.db2.gz ZXNINIQQSCDDEC-MBYGNEARSA-N 1 3 237.347 0.528 20 0 BCADHO CNCC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424228311 387939941 /nfs/dbraw/zinc/93/99/41/387939941.db2.gz WMELVABNQFSADG-UHFFFAOYSA-N 1 3 207.277 0.612 20 0 BCADHO [NH3+]C1(CC(=O)NCCNc2ccncc2)CCC1 ZINC000645643589 387950304 /nfs/dbraw/zinc/95/03/04/387950304.db2.gz YVMSWGXCVDARFQ-UHFFFAOYSA-N 1 3 248.330 0.303 20 0 BCADHO CO[C@H](C)[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000423204701 387989462 /nfs/dbraw/zinc/98/94/62/387989462.db2.gz DKIDIZYCENBQPT-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000423204701 387989469 /nfs/dbraw/zinc/98/94/69/387989469.db2.gz DKIDIZYCENBQPT-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CN1CC[C@H](C[NH2+][C@@H]2CCCNCC2)CC1=O ZINC000424368328 387992184 /nfs/dbraw/zinc/99/21/84/387992184.db2.gz BACQURBKCCEIQS-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252140064 135084700 /nfs/dbraw/zinc/08/47/00/135084700.db2.gz NBQQTYNYGSKULV-OUAUKWLOSA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252140064 135084702 /nfs/dbraw/zinc/08/47/02/135084702.db2.gz NBQQTYNYGSKULV-OUAUKWLOSA-N 1 3 216.325 0.066 20 0 BCADHO CN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2CN)CC1=O ZINC000424382741 388001236 /nfs/dbraw/zinc/00/12/36/388001236.db2.gz SLGODUMFAFGHGQ-SRVKXCTJSA-N 1 3 239.363 0.572 20 0 BCADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2CN)CC1=O ZINC000424382740 388001494 /nfs/dbraw/zinc/00/14/94/388001494.db2.gz SLGODUMFAFGHGQ-SDDRHHMPSA-N 1 3 239.363 0.572 20 0 BCADHO COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCNC2)[C@H]1C ZINC000423219966 388002560 /nfs/dbraw/zinc/00/25/60/388002560.db2.gz XDIDNJGTCLNWHS-YFKTTZPYSA-N 1 3 240.347 0.916 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000156617405 388011904 /nfs/dbraw/zinc/01/19/04/388011904.db2.gz WEVZKWFKILNGDC-RYUDHWBXSA-N 1 3 241.379 0.912 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000082280861 388021743 /nfs/dbraw/zinc/02/17/43/388021743.db2.gz GCTFHCBPRPABMH-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@H](C)C(C)(C)n1cncn1 ZINC000423256155 388036473 /nfs/dbraw/zinc/03/64/73/388036473.db2.gz BISHUBWNVGECCL-WDEREUQCSA-N 1 3 239.367 0.847 20 0 BCADHO COCCN1CC[C@@H]([NH2+][C@@H](CN)CC(C)C)C1 ZINC000423257920 388037911 /nfs/dbraw/zinc/03/79/11/388037911.db2.gz ASNHBGLNSFKRTQ-CHWSQXEVSA-N 1 3 243.395 0.670 20 0 BCADHO CCN1C[C@H](NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000423244460 388028103 /nfs/dbraw/zinc/02/81/03/388028103.db2.gz XNZPYUYKRNKLMG-SRVKXCTJSA-N 1 3 211.353 0.668 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)N[C@@H](C[NH3+])C1CC1 ZINC000423271439 388051914 /nfs/dbraw/zinc/05/19/14/388051914.db2.gz HLOKNFMDKCVZSA-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[NH+]1CCCCC1)NC(=O)C1(N)CC1 ZINC000083834473 388064121 /nfs/dbraw/zinc/06/41/21/388064121.db2.gz HIWGKKIDIWAIMN-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889464 388065035 /nfs/dbraw/zinc/06/50/35/388065035.db2.gz GGHAWMYVXDZGFK-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC(C)(C)N ZINC000423286467 388071572 /nfs/dbraw/zinc/07/15/72/388071572.db2.gz HOALSQHSCUDTSM-GXSJLCMTSA-N 1 3 211.353 0.796 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NCC(C)(C)[NH3+] ZINC000423286467 388071576 /nfs/dbraw/zinc/07/15/76/388071576.db2.gz HOALSQHSCUDTSM-GXSJLCMTSA-N 1 3 211.353 0.796 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)NC[C@H](C)C[NH3+] ZINC000423293839 388076270 /nfs/dbraw/zinc/07/62/70/388076270.db2.gz AVWZBVQWWSKIQY-MNOVXSKESA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)CN ZINC000423293839 388076272 /nfs/dbraw/zinc/07/62/72/388076272.db2.gz AVWZBVQWWSKIQY-MNOVXSKESA-N 1 3 229.368 0.818 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)[C@H]1CCCOC1 ZINC000447598155 388082047 /nfs/dbraw/zinc/08/20/47/388082047.db2.gz UOKLKBSLBKFDRW-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCCS(C)(=O)=O ZINC000336659226 388082580 /nfs/dbraw/zinc/08/25/80/388082580.db2.gz IYJYBUGWARXWTJ-JTQLQIEISA-N 1 3 236.381 0.384 20 0 BCADHO C[NH2+]C[C@@H](C)CN[C@H]1CCN(CCOC)C1 ZINC000423267081 388046304 /nfs/dbraw/zinc/04/63/04/388046304.db2.gz DUETVWZLYXVYGM-NEPJUHHUSA-N 1 3 229.368 0.152 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)N[C@H](C[NH3+])C1CC1 ZINC000423271441 388050616 /nfs/dbraw/zinc/05/06/16/388050616.db2.gz HLOKNFMDKCVZSA-ZYHUDNBSSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000646185813 388161162 /nfs/dbraw/zinc/16/11/62/388161162.db2.gz KJLRIYRAYGYGDL-GARJFASQSA-N 1 3 242.367 0.506 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](C)N(C)C ZINC000449332436 388174114 /nfs/dbraw/zinc/17/41/14/388174114.db2.gz DGVGQMOLYPHVRL-VHSXEESVSA-N 1 3 215.341 0.441 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)C1(N)CCC1)C1CC1 ZINC000449330522 388174497 /nfs/dbraw/zinc/17/44/97/388174497.db2.gz ULHVKHMRSMPORH-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@H]2C1 ZINC000646297374 388178247 /nfs/dbraw/zinc/17/82/47/388178247.db2.gz DRFSKJCLNPIYMX-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000163981163 388116853 /nfs/dbraw/zinc/11/68/53/388116853.db2.gz WNDHGJBZHXQZDZ-GARJFASQSA-N 1 3 200.326 0.864 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N(C)C1CC1 ZINC000645906575 388123546 /nfs/dbraw/zinc/12/35/46/388123546.db2.gz SZUFQVJYMMEFJI-ONGXEEELSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000449085089 388140784 /nfs/dbraw/zinc/14/07/84/388140784.db2.gz KENNZTNJVBQFLQ-MWLCHTKSSA-N 1 3 225.336 0.467 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000449101485 388142900 /nfs/dbraw/zinc/14/29/00/388142900.db2.gz FKQZSAOAOUVALM-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCCN(C(=O)[C@@H](C)NC1CC1)[C@@H]1CC[NH2+]C1 ZINC000449105723 388143023 /nfs/dbraw/zinc/14/30/23/388143023.db2.gz FFEVMAFBZGNBGM-ZYHUDNBSSA-N 1 3 239.363 0.727 20 0 BCADHO COCCCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103782 388143220 /nfs/dbraw/zinc/14/32/20/388143220.db2.gz OKUNDZCYXUZGAL-UHFFFAOYSA-N 1 3 242.363 0.820 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](N)c1ccccc1 ZINC000449106683 388143803 /nfs/dbraw/zinc/14/38/03/388143803.db2.gz IUWJAFCPKHXNBP-RAIGVLPGSA-N 1 3 247.342 0.658 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000449118014 388145251 /nfs/dbraw/zinc/14/52/51/388145251.db2.gz RASHUYKABHLRRE-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO Cc1cncc(CN2CCC(O)(C[NH3+])CC2)c1 ZINC000396992393 388253486 /nfs/dbraw/zinc/25/34/86/388253486.db2.gz VJPFHAOTKKJSPG-UHFFFAOYSA-N 1 3 235.331 0.676 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000449497742 388218864 /nfs/dbraw/zinc/21/88/64/388218864.db2.gz RMSAHQLZMDDTLI-AXFHLTTASA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000489512746 388219219 /nfs/dbraw/zinc/21/92/19/388219219.db2.gz OMLNCMQKOXSXJN-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)CCC[NH3+])N(C)C ZINC000449572284 388235758 /nfs/dbraw/zinc/23/57/58/388235758.db2.gz MXVVUZKMXVSIQS-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO C[NH+](C)CCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000490456473 388239464 /nfs/dbraw/zinc/23/94/64/388239464.db2.gz ZXYDIWSJCXTRNQ-NSHDSACASA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])N(CC)CC ZINC000449604736 388240984 /nfs/dbraw/zinc/24/09/84/388240984.db2.gz UHVOESXRFNNQSI-GMTAPVOTSA-N 1 3 229.368 0.959 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)CN(C)C(C)C ZINC000449608502 388241809 /nfs/dbraw/zinc/24/18/09/388241809.db2.gz IDANXQIBNQQUMK-SECBINFHSA-N 1 3 201.314 0.180 20 0 BCADHO [NH3+][C@H]1CCC[C@H](CNC(=O)[C@@H]2CCCCN2)C1 ZINC000449629232 388246316 /nfs/dbraw/zinc/24/63/16/388246316.db2.gz FETOXZFWDVHDRG-SRVKXCTJSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)C1CC([NH3+])C1 ZINC000449632530 388246516 /nfs/dbraw/zinc/24/65/16/388246516.db2.gz MYQSUOHTVVICOR-ZNFPMYQNSA-N 1 3 211.309 0.075 20 0 BCADHO C[C@@H]1CC[C@@H](CN2CCC(O)(C[NH3+])CC2)O1 ZINC000397060934 388284228 /nfs/dbraw/zinc/28/42/28/388284228.db2.gz PTZOEYHMWBUPKB-MNOVXSKESA-N 1 3 228.336 0.340 20 0 BCADHO CN(C)C/C=C\C(=O)NCCC[NH+]1CCCC1 ZINC000491842928 388324662 /nfs/dbraw/zinc/32/46/62/388324662.db2.gz HFOJXYKZHZOXKH-ALCCZGGFSA-N 1 3 239.363 0.706 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000491869758 388325508 /nfs/dbraw/zinc/32/55/08/388325508.db2.gz NLIDYCWPODPNJP-PZBABLGHSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000491869758 388325509 /nfs/dbraw/zinc/32/55/09/388325509.db2.gz NLIDYCWPODPNJP-PZBABLGHSA-N 1 3 239.363 0.562 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)/C=C\CN(C)C ZINC000491890739 388326447 /nfs/dbraw/zinc/32/64/47/388326447.db2.gz IBMKDPPDSQSSHG-ZADCQDASSA-N 1 3 227.352 0.561 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/CN(C)C ZINC000491895458 388326633 /nfs/dbraw/zinc/32/66/33/388326633.db2.gz WONYUCHMAKSCLH-WAFBPQNNSA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/CN(C)C ZINC000491895458 388326634 /nfs/dbraw/zinc/32/66/34/388326634.db2.gz WONYUCHMAKSCLH-WAFBPQNNSA-N 1 3 239.363 0.705 20 0 BCADHO CN(C(=O)/C=C/C[NH+](C)C)C1CCN(C)CC1 ZINC000491895205 388326734 /nfs/dbraw/zinc/32/67/34/388326734.db2.gz VZWSLGYPUGSUQS-AATRIKPKSA-N 1 3 239.363 0.657 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\CN(C)C ZINC000491895460 388326783 /nfs/dbraw/zinc/32/67/83/388326783.db2.gz WONYUCHMAKSCLH-XYLWRLHESA-N 1 3 239.363 0.705 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C\CN(C)C ZINC000491895460 388326784 /nfs/dbraw/zinc/32/67/84/388326784.db2.gz WONYUCHMAKSCLH-XYLWRLHESA-N 1 3 239.363 0.705 20 0 BCADHO CN(C(=O)/C=C\C[NH+](C)C)C1CCN(C)CC1 ZINC000491895206 388326868 /nfs/dbraw/zinc/32/68/68/388326868.db2.gz VZWSLGYPUGSUQS-WAYWQWQTSA-N 1 3 239.363 0.657 20 0 BCADHO C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@@H]1[NH+](C)C ZINC000491901814 388326923 /nfs/dbraw/zinc/32/69/23/388326923.db2.gz CHLPSBXIRHPMDK-PBWNMSGQSA-N 1 3 239.363 0.513 20 0 BCADHO C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@@H]1[NH+](C)C ZINC000491901812 388326979 /nfs/dbraw/zinc/32/69/79/388326979.db2.gz CHLPSBXIRHPMDK-JIVBQCDMSA-N 1 3 239.363 0.513 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336005 388261991 /nfs/dbraw/zinc/26/19/91/388261991.db2.gz FMCHKZOETMXOMY-HBNTYKKESA-N 1 3 225.336 0.180 20 0 BCADHO C[NH2+]CCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953274 388269023 /nfs/dbraw/zinc/26/90/23/388269023.db2.gz MXBUIARBKZNVSG-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000645953459 388269059 /nfs/dbraw/zinc/26/90/59/388269059.db2.gz UVHSIOXFHYIZSE-LBPRGKRZSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953459 388269060 /nfs/dbraw/zinc/26/90/60/388269060.db2.gz UVHSIOXFHYIZSE-LBPRGKRZSA-N 1 3 237.347 0.339 20 0 BCADHO [NH3+]CCCCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953310 388269133 /nfs/dbraw/zinc/26/91/33/388269133.db2.gz OZUTXLCISRWAKB-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000645953239 388269370 /nfs/dbraw/zinc/26/93/70/388269370.db2.gz KTQCAYYXICGKOY-VXGBXAGGSA-N 1 3 237.347 0.339 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCC1 ZINC000645953493 388269452 /nfs/dbraw/zinc/26/94/52/388269452.db2.gz VXAYRTCAQMYRTD-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCC1 ZINC000645953493 388269453 /nfs/dbraw/zinc/26/94/53/388269453.db2.gz VXAYRTCAQMYRTD-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO N[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000516561975 388344657 /nfs/dbraw/zinc/34/46/57/388344657.db2.gz BKKVDFSKFWKJIG-MNOVXSKESA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646385247 388348106 /nfs/dbraw/zinc/34/81/06/388348106.db2.gz ZUQGNOOTLZFFIB-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000516563028 388348149 /nfs/dbraw/zinc/34/81/49/388348149.db2.gz ONQDVFAOXDXHPA-RYUDHWBXSA-N 1 3 245.326 0.655 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000516569019 388349516 /nfs/dbraw/zinc/34/95/16/388349516.db2.gz MBSVJLGWPSXNGX-GFCCVEGCSA-N 1 3 233.315 0.209 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N1CCCC1 ZINC000646408517 388352226 /nfs/dbraw/zinc/35/22/26/388352226.db2.gz VYGQAFPKEGBWRL-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](CNC(=O)CC1(C[NH3+])CC1)N(C)C ZINC000646427219 388356879 /nfs/dbraw/zinc/35/68/79/388356879.db2.gz UEKHYPBNGQWOLF-SECBINFHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)N(C)C ZINC000646427183 388357675 /nfs/dbraw/zinc/35/76/75/388357675.db2.gz RIRUIVRHMCKNTE-DTWKUNHWSA-N 1 3 213.325 0.051 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000300392128 388364620 /nfs/dbraw/zinc/36/46/20/388364620.db2.gz YOBJUTLXEMDLQB-SRVKXCTJSA-N 1 3 212.337 0.953 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000300392128 388364624 /nfs/dbraw/zinc/36/46/24/388364624.db2.gz YOBJUTLXEMDLQB-SRVKXCTJSA-N 1 3 212.337 0.953 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000646484488 388365462 /nfs/dbraw/zinc/36/54/62/388365462.db2.gz QBHXXNOCJMNTEQ-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000163753906 388367678 /nfs/dbraw/zinc/36/76/78/388367678.db2.gz RWBLPQSBCDCLIJ-MNOVXSKESA-N 1 3 223.324 0.528 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C ZINC000524652614 388370472 /nfs/dbraw/zinc/37/04/72/388370472.db2.gz VUCZCEOZUWWSCK-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C ZINC000524652614 388370474 /nfs/dbraw/zinc/37/04/74/388370474.db2.gz VUCZCEOZUWWSCK-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH2+]CCC(=O)Nc1ccc2c(c1)CNC2 ZINC000519399597 256647733 /nfs/dbraw/zinc/64/77/33/256647733.db2.gz WBMYGKUSGXNRJD-UHFFFAOYSA-N 1 3 219.288 0.838 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CC(C)(C)[NH3+] ZINC000646523169 388374974 /nfs/dbraw/zinc/37/49/74/388374974.db2.gz GJPFRKSQYCDRPK-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CC1([NH3+])CCC1 ZINC000646523236 388375522 /nfs/dbraw/zinc/37/55/22/388375522.db2.gz SPGPMFGLOQPOJO-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000646533891 388377448 /nfs/dbraw/zinc/37/74/48/388377448.db2.gz OZYWQBKVGGAZEZ-CMPLNLGQSA-N 1 3 239.363 0.524 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCN[C@@H](C)C1 ZINC000236838744 388383602 /nfs/dbraw/zinc/38/36/02/388383602.db2.gz MYCTUIVPMILQHC-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO N[C@H](CC(F)F)C(=O)NC1(C[NH3+])CCCC1 ZINC000572881788 388384856 /nfs/dbraw/zinc/38/48/56/388384856.db2.gz RGBAISHBNYCQQB-SSDOTTSWSA-N 1 3 235.278 0.357 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000236902820 388385812 /nfs/dbraw/zinc/38/58/12/388385812.db2.gz HMZYIDYEKRSSII-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000236902820 388385814 /nfs/dbraw/zinc/38/58/14/388385814.db2.gz HMZYIDYEKRSSII-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO CCO[C@@H]1COC[C@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000572900251 388387200 /nfs/dbraw/zinc/38/72/00/388387200.db2.gz ZXXCNHRWYPJQGV-WRWGMCAJSA-N 1 3 228.336 0.650 20 0 BCADHO NC[C@@H](C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000646575092 388387400 /nfs/dbraw/zinc/38/74/00/388387400.db2.gz UOJUVSCPGFJHDV-CYBMUJFWSA-N 1 3 247.342 0.597 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237001066 388387508 /nfs/dbraw/zinc/38/75/08/388387508.db2.gz WLTYLKIQFYCTJX-OPRDCNLKSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](N)C(C)(C)C ZINC000237150745 388391243 /nfs/dbraw/zinc/39/12/43/388391243.db2.gz LQLPHKHXMGKANV-IUCAKERBSA-N 1 3 215.341 0.332 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000237263924 388391709 /nfs/dbraw/zinc/39/17/09/388391709.db2.gz MYZBHAQFDQBIBM-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000237263924 388391711 /nfs/dbraw/zinc/39/17/11/388391711.db2.gz MYZBHAQFDQBIBM-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000237400034 388394214 /nfs/dbraw/zinc/39/42/14/388394214.db2.gz JGUPSTHVMZYOAH-LLVKDONJSA-N 1 3 241.379 0.819 20 0 BCADHO NC1(C(=O)NCC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000237795612 388397682 /nfs/dbraw/zinc/39/76/82/388397682.db2.gz DAAQBQDXRGMITB-LLVKDONJSA-N 1 3 239.363 0.764 20 0 BCADHO C[C@H](NC(=O)CN)C(C)(C)C[NH+](C)C ZINC000237622480 388398074 /nfs/dbraw/zinc/39/80/74/388398074.db2.gz IXLYEIFPFOPSEH-QMMMGPOBSA-N 1 3 201.314 0.038 20 0 BCADHO CN(C)CCOCC[NH2+][C@H]1CCOC1(C)C ZINC000336908261 388442446 /nfs/dbraw/zinc/44/24/46/388442446.db2.gz ZYGYCZGEQPFVRE-NSHDSACASA-N 1 3 230.352 0.722 20 0 BCADHO O=C(NCC[NH2+]C1CC1)c1ccc2c(c1)CNC2 ZINC000646687274 388416463 /nfs/dbraw/zinc/41/64/63/388416463.db2.gz RKRWMRJEYZZLMF-UHFFFAOYSA-N 1 3 245.326 0.772 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646699041 388419980 /nfs/dbraw/zinc/41/99/80/388419980.db2.gz WVYYVNOAHWQMPZ-VHSXEESVSA-N 1 3 225.336 0.100 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 ZINC000646713443 388426224 /nfs/dbraw/zinc/42/62/24/388426224.db2.gz LQNZOOKCBNHBAS-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO O[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000573175653 388427332 /nfs/dbraw/zinc/42/73/32/388427332.db2.gz JJISCRBAAUIFHB-BETUJISGSA-N 1 3 224.348 0.974 20 0 BCADHO Cc1cnn(C)c1CNCCOCC[NH+](C)C ZINC000352738156 388538477 /nfs/dbraw/zinc/53/84/77/388538477.db2.gz SQYJTYZHSQEMQE-UHFFFAOYSA-N 1 3 240.351 0.396 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CCC[NH3+] ZINC000649273130 388483949 /nfs/dbraw/zinc/48/39/49/388483949.db2.gz MCULTPDQBQBVDI-PHIMTYICSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648903918 388487909 /nfs/dbraw/zinc/48/79/09/388487909.db2.gz IFSROLAJVISHRX-HBNTYKKESA-N 1 3 227.352 0.393 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648903918 388487912 /nfs/dbraw/zinc/48/79/12/388487912.db2.gz IFSROLAJVISHRX-HBNTYKKESA-N 1 3 227.352 0.393 20 0 BCADHO CCOC1CC([NH2+]CC2(O)CCN(C)CC2)C1 ZINC000342783998 388498881 /nfs/dbraw/zinc/49/88/81/388498881.db2.gz RBRUPEVTORZJAE-UHFFFAOYSA-N 1 3 242.363 0.600 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000648931160 388504407 /nfs/dbraw/zinc/50/44/07/388504407.db2.gz PZGGCTJBXQSCDS-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000648931160 388504408 /nfs/dbraw/zinc/50/44/08/388504408.db2.gz PZGGCTJBXQSCDS-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)NCCN1CCCC1 ZINC000649280650 388515000 /nfs/dbraw/zinc/51/50/00/388515000.db2.gz BOPFWFLMJAAATI-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000516927804 388525294 /nfs/dbraw/zinc/52/52/94/388525294.db2.gz DSAMMGPGXIDXJG-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545405 388588507 /nfs/dbraw/zinc/58/85/07/388588507.db2.gz UFJRPAWHTQKHSN-YNEHKIRRSA-N 1 3 244.379 0.656 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C[C@@H](O)COC)[C@@H](C)C1 ZINC000245545405 388588508 /nfs/dbraw/zinc/58/85/08/388588508.db2.gz UFJRPAWHTQKHSN-YNEHKIRRSA-N 1 3 244.379 0.656 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CNCCC1(F)F)[NH+](C)C ZINC000649306074 388590790 /nfs/dbraw/zinc/59/07/90/388590790.db2.gz YTKKHKVKNUXPHT-BDAKNGLRSA-N 1 3 249.305 0.298 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000517565102 388552994 /nfs/dbraw/zinc/55/29/94/388552994.db2.gz PYXJDXGRPQUPMQ-ZYHUDNBSSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000517565101 388553139 /nfs/dbraw/zinc/55/31/39/388553139.db2.gz PYXJDXGRPQUPMQ-PWSUYJOCSA-N 1 3 235.331 0.930 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1NCC1(C)C ZINC000646823378 388558240 /nfs/dbraw/zinc/55/82/40/388558240.db2.gz ZOJVHKVWTZXQHU-WDEREUQCSA-N 1 3 241.379 0.816 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCCCCC1 ZINC000521054992 388561012 /nfs/dbraw/zinc/56/10/12/388561012.db2.gz RFZQASQGKRUNMT-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCCCCC1 ZINC000521054992 388561015 /nfs/dbraw/zinc/56/10/15/388561015.db2.gz RFZQASQGKRUNMT-NSHDSACASA-N 1 3 200.326 0.833 20 0 BCADHO CN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000552118800 388670964 /nfs/dbraw/zinc/67/09/64/388670964.db2.gz XGQDQGACRIOEIJ-UHFFFAOYSA-N 1 3 241.379 0.882 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000521998460 388673717 /nfs/dbraw/zinc/67/37/17/388673717.db2.gz LCLPJHNWUPHCFO-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO C(NC1CC[NH+](C2CC2)CC1)[C@@H]1COCCN1 ZINC000530226896 388635396 /nfs/dbraw/zinc/63/53/96/388635396.db2.gz URYFAGOTDZDNOF-GFCCVEGCSA-N 1 3 239.363 0.191 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)[C@@H](C)C1 ZINC000246490066 388639277 /nfs/dbraw/zinc/63/92/77/388639277.db2.gz PFISQAIHJLOXSU-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)N)[C@@H](C)C1 ZINC000246490066 388639278 /nfs/dbraw/zinc/63/92/78/388639278.db2.gz PFISQAIHJLOXSU-GARJFASQSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251202428 388745832 /nfs/dbraw/zinc/74/58/32/388745832.db2.gz KZBUNNCWHGWCDJ-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251202428 388745834 /nfs/dbraw/zinc/74/58/34/388745834.db2.gz KZBUNNCWHGWCDJ-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO C[NH+](C)CCNC(=O)CN1CCC(C)(C)C1 ZINC000553190105 388751881 /nfs/dbraw/zinc/75/18/81/388751881.db2.gz APTAKQBIAFPLCB-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO COCC[N@H+](C)CCCNCC1=CCCOC1 ZINC000126457871 388696172 /nfs/dbraw/zinc/69/61/72/388696172.db2.gz KMIKPSQOUVNCFX-UHFFFAOYSA-N 1 3 242.363 0.891 20 0 BCADHO COCC[N@@H+](C)CCCNCC1=CCCOC1 ZINC000126457871 388696175 /nfs/dbraw/zinc/69/61/75/388696175.db2.gz KMIKPSQOUVNCFX-UHFFFAOYSA-N 1 3 242.363 0.891 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C1(N)CC1 ZINC000226396237 388718264 /nfs/dbraw/zinc/71/82/64/388718264.db2.gz GMLZXMGMJFTHHM-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C1(N)CC1 ZINC000226396237 388718267 /nfs/dbraw/zinc/71/82/67/388718267.db2.gz GMLZXMGMJFTHHM-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)CSC)C1 ZINC000249481429 388723153 /nfs/dbraw/zinc/72/31/53/388723153.db2.gz VSALULNGIVFOFH-NWDGAFQWSA-N 1 3 246.420 0.984 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CSC)C1 ZINC000249481429 388723155 /nfs/dbraw/zinc/72/31/55/388723155.db2.gz VSALULNGIVFOFH-NWDGAFQWSA-N 1 3 246.420 0.984 20 0 BCADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000564211030 388726347 /nfs/dbraw/zinc/72/63/47/388726347.db2.gz MTWFKYWOPJQAOY-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C(C)(C)C ZINC000564211030 388726348 /nfs/dbraw/zinc/72/63/48/388726348.db2.gz MTWFKYWOPJQAOY-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000253028733 388797890 /nfs/dbraw/zinc/79/78/90/388797890.db2.gz PMLPREZNXTZJHF-DCAQKATOSA-N 1 3 200.326 0.864 20 0 BCADHO CN(C)CCN(C)C(=O)CCCC[NH+](C)C ZINC000555382773 388848796 /nfs/dbraw/zinc/84/87/96/388848796.db2.gz FMPORMNQJJCVGG-UHFFFAOYSA-N 1 3 229.368 0.738 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000564938025 388898786 /nfs/dbraw/zinc/89/87/86/388898786.db2.gz RPEDVJYVUCKBRH-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000129883177 388875382 /nfs/dbraw/zinc/87/53/82/388875382.db2.gz MKWXLKUBUAGUDO-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000129883177 388875385 /nfs/dbraw/zinc/87/53/85/388875385.db2.gz MKWXLKUBUAGUDO-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000564992459 388906569 /nfs/dbraw/zinc/90/65/69/388906569.db2.gz LYXCZQOKCDDFIN-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000564994146 388906849 /nfs/dbraw/zinc/90/68/49/388906849.db2.gz NNLHJLDZCQHOGT-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000564994146 388906853 /nfs/dbraw/zinc/90/68/53/388906853.db2.gz NNLHJLDZCQHOGT-GMTAPVOTSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC(C)(C)CCC[NH3+] ZINC000564996100 388907073 /nfs/dbraw/zinc/90/70/73/388907073.db2.gz YKNMFPQCORAXFS-VIFPVBQESA-N 1 3 227.352 0.761 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)CNC2CC2)C1 ZINC000565039842 388909293 /nfs/dbraw/zinc/90/92/93/388909293.db2.gz FDQBKAWTDMCALM-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)CNC2CC2)C1 ZINC000565039842 388909295 /nfs/dbraw/zinc/90/92/95/388909295.db2.gz FDQBKAWTDMCALM-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000565419852 388943619 /nfs/dbraw/zinc/94/36/19/388943619.db2.gz HNSBCXWUFGYGPY-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000565419849 388943821 /nfs/dbraw/zinc/94/38/21/388943821.db2.gz HNSBCXWUFGYGPY-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH3+] ZINC000566008497 388983685 /nfs/dbraw/zinc/98/36/85/388983685.db2.gz JXYMXKLQINMTPX-NSHDSACASA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCN1CCO[C@H](C)C1 ZINC000566069136 388986115 /nfs/dbraw/zinc/98/61/15/388986115.db2.gz WRIUHTPNRSHROP-YNEHKIRRSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@@H](C(=O)NCCN1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000493897160 533258206 /nfs/dbraw/zinc/25/82/06/533258206.db2.gz LZGLAXVLZSQYIF-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@]1(CNC(=O)[C@H]2CCCCN2)CCC[NH2+]C1 ZINC000336176745 134116965 /nfs/dbraw/zinc/11/69/65/134116965.db2.gz PJXFOOVFIBEHFS-DGCLKSJQSA-N 1 3 239.363 0.634 20 0 BCADHO C[C@]1(CNC(=O)[C@H]2CCCCN2)CCC[NH2+]C1 ZINC000336176750 134116980 /nfs/dbraw/zinc/11/69/80/134116980.db2.gz PJXFOOVFIBEHFS-YPMHNXCESA-N 1 3 239.363 0.634 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000169240430 134249845 /nfs/dbraw/zinc/24/98/45/134249845.db2.gz YJXOSNHSJGBXNI-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000178407268 134310025 /nfs/dbraw/zinc/31/00/25/134310025.db2.gz JTQPHTHSFHDBIA-JTQLQIEISA-N 1 3 239.363 0.844 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178789953 134311457 /nfs/dbraw/zinc/31/14/57/134311457.db2.gz FBGLRFFCJWDAEQ-ZJUUUORDSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178789944 134311483 /nfs/dbraw/zinc/31/14/83/134311483.db2.gz FBGLRFFCJWDAEQ-UWVGGRQHSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178601036 134311952 /nfs/dbraw/zinc/31/19/52/134311952.db2.gz LMSPWGZZNDFUBQ-RKDXNWHRSA-N 1 3 213.325 0.228 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCOCCOC)[C@H](C)C1 ZINC000178632084 134312653 /nfs/dbraw/zinc/31/26/53/134312653.db2.gz QZJFFPBONKKYDV-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO CC[N@H+]1CC[C@H](NCCOCCOC)[C@H](C)C1 ZINC000178632084 134312654 /nfs/dbraw/zinc/31/26/54/134312654.db2.gz QZJFFPBONKKYDV-OLZOCXBDSA-N 1 3 244.379 0.969 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCC[C@H](C)C1 ZINC000178702960 134313206 /nfs/dbraw/zinc/31/32/06/134313206.db2.gz JEJYQKWGDCXMCU-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000178809368 134314876 /nfs/dbraw/zinc/31/48/76/134314876.db2.gz QTVGYDGTBUBDEG-WDEREUQCSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000178817796 134315647 /nfs/dbraw/zinc/31/56/47/134315647.db2.gz OPVHUGYVEFBHED-BDAKNGLRSA-N 1 3 215.341 0.426 20 0 BCADHO C[C@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000178818582 134315723 /nfs/dbraw/zinc/31/57/23/134315723.db2.gz VTEVNAGCTAXDQD-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815746 134315916 /nfs/dbraw/zinc/31/59/16/134315916.db2.gz ZMLYDHBTEYQVGX-VWYCJHECSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CCC[NH3+])CN1C1CC1 ZINC000178867514 134316238 /nfs/dbraw/zinc/31/62/38/134316238.db2.gz KDNRQSQPUVZHGU-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO COC[C@H](O)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000224249684 134345535 /nfs/dbraw/zinc/34/55/35/134345535.db2.gz NXMAWUIMMWOHSA-RWMBFGLXSA-N 1 3 244.379 0.894 20 0 BCADHO CO[C@@H](CN)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000227374677 134379534 /nfs/dbraw/zinc/37/95/34/134379534.db2.gz RJISTIIZCYCJKA-MNOVXSKESA-N 1 3 245.367 0.053 20 0 BCADHO CCOC(=O)C[C@H](C)N(C)CCC[NH3+] ZINC000227747490 134392019 /nfs/dbraw/zinc/39/20/19/134392019.db2.gz DJMFCLUBVBEXPZ-VIFPVBQESA-N 1 3 202.298 0.609 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188186015 134494213 /nfs/dbraw/zinc/49/42/13/134494213.db2.gz WGVUUHQKFQPAIC-VPOLOUISSA-N 1 3 243.326 0.272 20 0 BCADHO C[C@@H]1OCC[C@H]1[NH2+]CCOCCN(C)C ZINC000235339069 134592148 /nfs/dbraw/zinc/59/21/48/134592148.db2.gz HNPSSGQPSFLWLY-WDEREUQCSA-N 1 3 216.325 0.332 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559774 134634347 /nfs/dbraw/zinc/63/43/47/134634347.db2.gz WOMORZQQZXYRNU-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CSCC[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000163602841 135005595 /nfs/dbraw/zinc/00/55/95/135005595.db2.gz OHVBWAQFVGFWDU-NXEZZACHSA-N 1 3 247.408 0.523 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)CNC ZINC000230711343 135022190 /nfs/dbraw/zinc/02/21/90/135022190.db2.gz LZCPHDNRCCMMOL-UHFFFAOYSA-N 1 3 201.314 0.006 20 0 BCADHO C[NH2+]CCCN1CCN2CCCC[C@H]2C1 ZINC000249852255 135046170 /nfs/dbraw/zinc/04/61/70/135046170.db2.gz MDFOQUWWQSQKPU-LBPRGKRZSA-N 1 3 211.353 0.766 20 0 BCADHO C[NH2+]C[C@@H]1CCN([C@H](C)CCOC)C1 ZINC000251258692 135067556 /nfs/dbraw/zinc/06/75/56/135067556.db2.gz VRLADSUTZSUZFZ-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@@H]1CC[N@@H+]([C@H](C)CCOC)C1 ZINC000251258692 135067557 /nfs/dbraw/zinc/06/75/57/135067557.db2.gz VRLADSUTZSUZFZ-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CNC[C@@H]1CC[N@H+]([C@H](C)CCOC)C1 ZINC000251258692 135067559 /nfs/dbraw/zinc/06/75/59/135067559.db2.gz VRLADSUTZSUZFZ-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333853 135069168 /nfs/dbraw/zinc/06/91/68/135069168.db2.gz PJQSMFZWGLWATL-FRRDWIJNSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000251333853 135069169 /nfs/dbraw/zinc/06/91/69/135069169.db2.gz PJQSMFZWGLWATL-FRRDWIJNSA-N 1 3 224.348 0.974 20 0 BCADHO C[C@H]1CN(CCC(=O)N(C)C)CC[C@H]1[NH3+] ZINC000251646582 135073563 /nfs/dbraw/zinc/07/35/63/135073563.db2.gz GEKSOVGSMWNEFB-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000251767005 135076518 /nfs/dbraw/zinc/07/65/18/135076518.db2.gz IBSKSKJEBVLHKB-HBNTYKKESA-N 1 3 229.368 0.816 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000252440689 135089643 /nfs/dbraw/zinc/08/96/43/135089643.db2.gz KWHBKUNLCDOQQJ-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CN(CCOCC[NH3+])CCOCC1CC1 ZINC000087399859 135128578 /nfs/dbraw/zinc/12/85/78/135128578.db2.gz HGSNZYZCANNXNZ-UHFFFAOYSA-N 1 3 216.325 0.320 20 0 BCADHO CC[C@H](N)C(=O)NC(CC)(CC)C[NH3+] ZINC000261529830 135156995 /nfs/dbraw/zinc/15/69/95/135156995.db2.gz BMEBYYLGUASHJT-QMMMGPOBSA-N 1 3 201.314 0.357 20 0 BCADHO C[N@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)N ZINC000261531121 135160082 /nfs/dbraw/zinc/16/00/82/135160082.db2.gz FHBMDILLCFKVCD-NXEZZACHSA-N 1 3 200.326 0.817 20 0 BCADHO C[N@@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)N ZINC000261531121 135160084 /nfs/dbraw/zinc/16/00/84/135160084.db2.gz FHBMDILLCFKVCD-NXEZZACHSA-N 1 3 200.326 0.817 20 0 BCADHO C[N@H+](C[C@@H]1CCC[C@H]1O)CC(C)(C)N ZINC000261531123 135160220 /nfs/dbraw/zinc/16/02/20/135160220.db2.gz FHBMDILLCFKVCD-VHSXEESVSA-N 1 3 200.326 0.817 20 0 BCADHO C[N@@H+](C[C@@H]1CCC[C@H]1O)CC(C)(C)N ZINC000261531123 135160221 /nfs/dbraw/zinc/16/02/21/135160221.db2.gz FHBMDILLCFKVCD-VHSXEESVSA-N 1 3 200.326 0.817 20 0 BCADHO CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)C[C@@H]1O ZINC000261533452 135165254 /nfs/dbraw/zinc/16/52/54/135165254.db2.gz BAGOVGAEKNFATB-WOPDTQHZSA-N 1 3 212.337 0.689 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000261536879 135173319 /nfs/dbraw/zinc/17/33/19/135173319.db2.gz UBTRAPXZOWBJSU-SFYZADRCSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@@](C)(CN)[NH2+]Cc1cnn(C)c1 ZINC000261537462 135173740 /nfs/dbraw/zinc/17/37/40/135173740.db2.gz VQYYIHZYJDXTIK-LLVKDONJSA-N 1 3 210.325 0.883 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)C1(N)CCCCC1 ZINC000261551326 135189819 /nfs/dbraw/zinc/18/98/19/135189819.db2.gz QIMQTJUHFXJZCF-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000261551395 135190779 /nfs/dbraw/zinc/19/07/79/135190779.db2.gz QMNYBJBKKUZDQF-KOLCDFICSA-N 1 3 213.325 0.372 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000084216431 135192456 /nfs/dbraw/zinc/19/24/56/135192456.db2.gz ZJYCTXMWQYJMGY-RYUDHWBXSA-N 1 3 222.336 0.990 20 0 BCADHO C[C@]1(CN2CCC[C@@H](CO)C2)CC[NH2+]C1 ZINC000261560112 135201121 /nfs/dbraw/zinc/20/11/21/135201121.db2.gz ZQHCJLDOZMRAKR-NEPJUHHUSA-N 1 3 212.337 0.690 20 0 BCADHO C[C@@](C[NH3+])(NCCOCC(F)F)C1CC1 ZINC000261564217 135206221 /nfs/dbraw/zinc/20/62/21/135206221.db2.gz CKERSVPTXHLCRA-JTQLQIEISA-N 1 3 222.279 0.985 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](N)CC1CCCCC1 ZINC000261567473 135209848 /nfs/dbraw/zinc/20/98/48/135209848.db2.gz ZUQNCKHROJAEQN-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO O=C(C[C@@H]1CC[NH2+]C1)NCCN1CCCC1 ZINC000084381953 135215410 /nfs/dbraw/zinc/21/54/10/135215410.db2.gz NEVVUJDYYXSTNP-NSHDSACASA-N 1 3 225.336 0.198 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H](C)C2C[NH2+]C2)C1 ZINC000164367337 135223598 /nfs/dbraw/zinc/22/35/98/135223598.db2.gz UEPRILLIBJGIPC-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261649993 135242376 /nfs/dbraw/zinc/24/23/76/135242376.db2.gz FJROVMJVEZYKEZ-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000084420079 135249145 /nfs/dbraw/zinc/24/91/45/135249145.db2.gz GCLNTOFOMUFBRA-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000084420102 135249380 /nfs/dbraw/zinc/24/93/80/135249380.db2.gz RAWDPQROEMYBJY-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](N)C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000261748107 135250156 /nfs/dbraw/zinc/25/01/56/135250156.db2.gz OSYFQJUMHTZPJA-LLVKDONJSA-N 1 3 235.331 0.364 20 0 BCADHO CN1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261761678 135251046 /nfs/dbraw/zinc/25/10/46/135251046.db2.gz JTHSVBXRZBRXHJ-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO COC[C@@H]1CN(CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000261823221 135255021 /nfs/dbraw/zinc/25/50/21/135255021.db2.gz IOUGWVZZMCVUFG-AAEUAGOBSA-N 1 3 242.363 0.722 20 0 BCADHO C(C1CC[NH2+]CC1)N1CCOC[C@@]12CCOC2 ZINC000261940653 135265204 /nfs/dbraw/zinc/26/52/04/135265204.db2.gz MPDIDOIFYJTPAT-ZDUSSCGKSA-N 1 3 240.347 0.477 20 0 BCADHO N[C@H](CC(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996366 135270521 /nfs/dbraw/zinc/27/05/21/135270521.db2.gz ZFMAJPBWQAJXGK-OLZOCXBDSA-N 1 3 247.342 0.930 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1C[NH2+]C1 ZINC000262034107 135275022 /nfs/dbraw/zinc/27/50/22/135275022.db2.gz PPMFERHAJHLDKB-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000262049709 135275755 /nfs/dbraw/zinc/27/57/55/135275755.db2.gz QDJDQJVXEGKKPI-JQWIXIFHSA-N 1 3 227.352 0.714 20 0 BCADHO COc1ccccc1[C@@H]1CNCCN1C[C@H](C)[NH3+] ZINC000262177752 135283798 /nfs/dbraw/zinc/28/37/98/135283798.db2.gz IKHKMLUSXKLPLC-AAEUAGOBSA-N 1 3 249.358 0.989 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCC[C@H](C)C1 ZINC000262310248 135292318 /nfs/dbraw/zinc/29/23/18/135292318.db2.gz CUUIPRXGVNIRAA-QWRGUYRKSA-N 1 3 227.352 0.429 20 0 BCADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CC[NH2+]1 ZINC000262309224 135292377 /nfs/dbraw/zinc/29/23/77/135292377.db2.gz CRWFFOYTXOIMHN-OLZOCXBDSA-N 1 3 245.326 0.352 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000262484054 135301563 /nfs/dbraw/zinc/30/15/63/135301563.db2.gz ZWKDAFUINGZCAS-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC(C)[C@@H](C(=O)NCC1([NH3+])CCC1)N(C)C ZINC000342600686 135301631 /nfs/dbraw/zinc/30/16/31/135301631.db2.gz WRLJVRAXBNKVGZ-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH3+])CCC1 ZINC000342607710 135302863 /nfs/dbraw/zinc/30/28/63/135302863.db2.gz OJJOEVCCYYTIDA-PHIMTYICSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH3+])C1)N(C)C ZINC000262543382 135304366 /nfs/dbraw/zinc/30/43/66/135304366.db2.gz XRZPETAEKHHXIS-GHMZBOCLSA-N 1 3 227.352 0.380 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)C(C)(C)C ZINC000262580537 135306656 /nfs/dbraw/zinc/30/66/56/135306656.db2.gz IZDBXMNCUKRHMZ-SECBINFHSA-N 1 3 229.368 0.803 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262594656 135307758 /nfs/dbraw/zinc/30/77/58/135307758.db2.gz WTMIKBUCBBJZTJ-LBPRGKRZSA-N 1 3 229.368 0.947 20 0 BCADHO CC(C)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262593906 135308027 /nfs/dbraw/zinc/30/80/27/135308027.db2.gz WJJIVOAGILXPIW-JTQLQIEISA-N 1 3 229.368 0.803 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262611963 135308785 /nfs/dbraw/zinc/30/87/85/135308785.db2.gz FBHBDHOBOYIPFV-ZDCRXTMVSA-N 1 3 227.352 0.603 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262652205 135311437 /nfs/dbraw/zinc/31/14/37/135311437.db2.gz VMGAZXYBWDHEFT-NTZNESFSSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1CC[NH2+]C1)N(C)C ZINC000342711495 135313448 /nfs/dbraw/zinc/31/34/48/135313448.db2.gz LXYCRBULAPQKQN-WDEREUQCSA-N 1 3 227.352 0.298 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000262715799 135315340 /nfs/dbraw/zinc/31/53/40/135315340.db2.gz DMZRHXNASMFXSX-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO O=C(NCc1ccc2c(c1)CNC2)C1C[NH2+]C1 ZINC000262792766 135318207 /nfs/dbraw/zinc/31/82/07/135318207.db2.gz ORWIBVDEGPMJRU-UHFFFAOYSA-N 1 3 231.299 0.125 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@]1(C)CCCCN1 ZINC000262919735 135324249 /nfs/dbraw/zinc/32/42/49/135324249.db2.gz ZGPLPSVBFHBPSL-NTZNESFSSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])N(C)C ZINC000262953519 135324838 /nfs/dbraw/zinc/32/48/38/135324838.db2.gz JZYDACWBYOXEAO-WZRBSPASSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000263095188 135332746 /nfs/dbraw/zinc/33/27/46/135332746.db2.gz NPEHFRDXZYORBE-AXFHLTTASA-N 1 3 225.336 0.243 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263221670 135340192 /nfs/dbraw/zinc/34/01/92/135340192.db2.gz LYQGPCPBIBJDIO-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO C[NH2+]CCN(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000263260666 135343737 /nfs/dbraw/zinc/34/37/37/135343737.db2.gz SKYWHXNIPDHQEY-GHMZBOCLSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+]CCN(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000263260668 135343818 /nfs/dbraw/zinc/34/38/18/135343818.db2.gz SKYWHXNIPDHQEY-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(N)CCCCC1 ZINC000334325499 135353840 /nfs/dbraw/zinc/35/38/40/135353840.db2.gz KRGRDCQINLCVKK-GHMZBOCLSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H](C(=O)NC1CCN(C)CC1)[C@H](C)[NH3+] ZINC000165101641 135469229 /nfs/dbraw/zinc/46/92/29/135469229.db2.gz XQYGFVYQCUFAHS-BDAKNGLRSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)C[NH+]1CCCCC1 ZINC000088130647 135516379 /nfs/dbraw/zinc/51/63/79/135516379.db2.gz FNMYFQBKPHILGW-LLVKDONJSA-N 1 3 239.363 0.716 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCCNCC2)C1 ZINC000334953276 135849498 /nfs/dbraw/zinc/84/94/98/135849498.db2.gz SZAIUFXFYRAQCD-WDEREUQCSA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000335055650 135874696 /nfs/dbraw/zinc/87/46/96/135874696.db2.gz CQKMHIDJVPBJIH-QWRGUYRKSA-N 1 3 239.363 0.905 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000335183217 135965656 /nfs/dbraw/zinc/96/56/56/135965656.db2.gz DFXIFKRMUGCTDY-MNOVXSKESA-N 1 3 237.347 0.326 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000335345221 136065810 /nfs/dbraw/zinc/06/58/10/136065810.db2.gz LVMCMMLRGOUWQJ-QWRGUYRKSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1NCCN(C(=O)NCC(C)(C)[NH3+])[C@H]1C ZINC000335361648 136080739 /nfs/dbraw/zinc/08/07/39/136080739.db2.gz UCDWFLLPGSWDLW-IUCAKERBSA-N 1 3 228.340 0.116 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000335387816 136089616 /nfs/dbraw/zinc/08/96/16/136089616.db2.gz UKMCQWXKOCPQGW-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335395471 136092295 /nfs/dbraw/zinc/09/22/95/136092295.db2.gz OQTLCDIQVIAAMT-MFKMUULPSA-N 1 3 237.347 0.339 20 0 BCADHO CNCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000335396301 136092541 /nfs/dbraw/zinc/09/25/41/136092541.db2.gz OGKLFNNVKZFXBV-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H](C(N)=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000335397702 136093017 /nfs/dbraw/zinc/09/30/17/136093017.db2.gz VELYIWUDQXHTKR-VIFPVBQESA-N 1 3 211.309 0.986 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000348663721 136115553 /nfs/dbraw/zinc/11/55/53/136115553.db2.gz FAKNVARMLSMYIX-QWRGUYRKSA-N 1 3 229.368 0.639 20 0 BCADHO NC(C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000353132697 397960339 /nfs/dbraw/zinc/96/03/39/397960339.db2.gz SHCADDRZAORUDB-RRKCRQDMSA-N 1 3 239.241 0.120 20 0 BCADHO CCN(C)CCNC(=O)C1CC[NH2+]CC1 ZINC000054133115 397903351 /nfs/dbraw/zinc/90/33/51/397903351.db2.gz ZYZVXPKBBUNYFP-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953162 398009722 /nfs/dbraw/zinc/00/97/22/398009722.db2.gz FVGXRAPNDJIGBH-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365094612 398023304 /nfs/dbraw/zinc/02/33/04/398023304.db2.gz OSRMJPSPWVUVSM-UMNHJUIQSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000383585845 398030138 /nfs/dbraw/zinc/03/01/38/398030138.db2.gz GNFDNYZAPOAHJK-STQMWFEESA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000383585845 398030139 /nfs/dbraw/zinc/03/01/39/398030139.db2.gz GNFDNYZAPOAHJK-STQMWFEESA-N 1 3 244.379 0.392 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C(N)C(F)(F)F ZINC000353189219 398032253 /nfs/dbraw/zinc/03/22/53/398032253.db2.gz UFNHLRWYYPKUKL-NKWVEPMBSA-N 1 3 241.257 0.510 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NCCN1CC[C@H](C)C1 ZINC000564731740 398039647 /nfs/dbraw/zinc/03/96/47/398039647.db2.gz HJYJNHBITJXNLN-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](CNC(=O)/C=C/CN(C)C)[N@H+](C)C1CC1 ZINC000491853797 398075265 /nfs/dbraw/zinc/07/52/65/398075265.db2.gz WFCOYQRRELYSLP-QRGHLMKCSA-N 1 3 239.363 0.703 20 0 BCADHO C[C@@H](CNC(=O)/C=C/CN(C)C)[N@@H+](C)C1CC1 ZINC000491853797 398075266 /nfs/dbraw/zinc/07/52/66/398075266.db2.gz WFCOYQRRELYSLP-QRGHLMKCSA-N 1 3 239.363 0.703 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236891978 171371306 /nfs/dbraw/zinc/37/13/06/171371306.db2.gz WLTYLKIQFYCTJX-IVZWLZJFSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(CCc2cn[nH]c2)C1 ZINC000389708054 398125514 /nfs/dbraw/zinc/12/55/14/398125514.db2.gz LJYQNXWRVDUPJP-KOLCDFICSA-N 1 3 208.309 0.621 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2cn[nH]c2)C1 ZINC000389708066 398125543 /nfs/dbraw/zinc/12/55/43/398125543.db2.gz LJYQNXWRVDUPJP-MWLCHTKSSA-N 1 3 208.309 0.621 20 0 BCADHO C[C@@H]1CCCN(CCn2cncn2)[C@H]1CC[NH3+] ZINC000404413791 487567902 /nfs/dbraw/zinc/56/79/02/487567902.db2.gz ZPKQQIRBGZZKIB-NEPJUHHUSA-N 1 3 237.351 0.727 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCNCC1(C)C ZINC000393744220 487579375 /nfs/dbraw/zinc/57/93/75/487579375.db2.gz KEVNBYPATNINKX-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CC(C)OC[C@@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000336735642 167257688 /nfs/dbraw/zinc/25/76/88/167257688.db2.gz IGIUQLLYBXJURL-VXGBXAGGSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)OC[C@@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000336735642 167257691 /nfs/dbraw/zinc/25/76/91/167257691.db2.gz IGIUQLLYBXJURL-VXGBXAGGSA-N 1 3 230.352 0.456 20 0 BCADHO C([C@@H]1C[NH2+]CCO1)N1CCN(C2CCC2)CC1 ZINC000383317249 487602745 /nfs/dbraw/zinc/60/27/45/487602745.db2.gz OJFYQVUJPNHXTN-ZDUSSCGKSA-N 1 3 239.363 0.145 20 0 BCADHO CC(C)N(C)C[C@H](O)C[NH+](C)C[C@@H](C)O ZINC000309000757 487605450 /nfs/dbraw/zinc/60/54/50/487605450.db2.gz LKIDAFNCZGROJT-GHMZBOCLSA-N 1 3 218.341 0.000 20 0 BCADHO CN(C[C@@H]1CNCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662264789 409561295 /nfs/dbraw/zinc/56/12/95/409561295.db2.gz LWSJEJNGWSAACL-HNGCFSAESA-N 1 3 239.363 0.190 20 0 BCADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662263833 409561771 /nfs/dbraw/zinc/56/17/71/409561771.db2.gz OUBKGUCVFQWMBJ-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662263833 409561782 /nfs/dbraw/zinc/56/17/82/409561782.db2.gz OUBKGUCVFQWMBJ-CHWSQXEVSA-N 1 3 241.379 0.248 20 0 BCADHO COCCC[N@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254142 409553406 /nfs/dbraw/zinc/55/34/06/409553406.db2.gz MAYNZPWDOSAWFQ-NSHDSACASA-N 1 3 228.336 0.476 20 0 BCADHO COCCC[N@@H+](C)C[C@@H]1CCC2(CNC2)O1 ZINC000662254142 409553409 /nfs/dbraw/zinc/55/34/09/409553409.db2.gz MAYNZPWDOSAWFQ-NSHDSACASA-N 1 3 228.336 0.476 20 0 BCADHO NCCC[N@H+](CCN1CCOCC1)CC1CC1 ZINC000662315974 409637108 /nfs/dbraw/zinc/63/71/08/409637108.db2.gz RZRQANYCYDSPMO-UHFFFAOYSA-N 1 3 241.379 0.379 20 0 BCADHO NCCC[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000662315974 409637117 /nfs/dbraw/zinc/63/71/17/409637117.db2.gz RZRQANYCYDSPMO-UHFFFAOYSA-N 1 3 241.379 0.379 20 0 BCADHO CC[C@@H]1CN(C[C@@H]2CNCCO2)CC[C@@H]1[NH3+] ZINC000662270762 409572359 /nfs/dbraw/zinc/57/23/59/409572359.db2.gz MWJJVOMOZOFUFA-WOPDTQHZSA-N 1 3 227.352 0.034 20 0 BCADHO COC[C@@H](CN1CC[C@@](C)(C[NH3+])C1)OC ZINC000662273184 409580928 /nfs/dbraw/zinc/58/09/28/409580928.db2.gz MIMXXAMAFWSIRL-MNOVXSKESA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@@H](C[N@@H+]1CC[C@@](C)(CN)C1)OC ZINC000662273184 409580938 /nfs/dbraw/zinc/58/09/38/409580938.db2.gz MIMXXAMAFWSIRL-MNOVXSKESA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@@H](C[N@H+]1CC[C@@](C)(CN)C1)OC ZINC000662273184 409580946 /nfs/dbraw/zinc/58/09/46/409580946.db2.gz MIMXXAMAFWSIRL-MNOVXSKESA-N 1 3 216.325 0.319 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1cccc2c1CNC2 ZINC000662553463 409754270 /nfs/dbraw/zinc/75/42/70/409754270.db2.gz JGLPMADWKUVLIF-MRVPVSSYSA-N 1 3 219.288 0.367 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2CCC[NH2+]CC2)[C@H]1C ZINC000653135752 409853224 /nfs/dbraw/zinc/85/32/24/409853224.db2.gz OSIRMDWUWFOSHU-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662623650 409795401 /nfs/dbraw/zinc/79/54/01/409795401.db2.gz ZOAARWSOHPGVHG-WDEREUQCSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662623650 409795411 /nfs/dbraw/zinc/79/54/11/409795411.db2.gz ZOAARWSOHPGVHG-WDEREUQCSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H](CCNC(=O)[C@H]1NCC1(C)C)[NH+](C)C ZINC000662636504 409806594 /nfs/dbraw/zinc/80/65/94/409806594.db2.gz YVTXKVMOHIVNMR-VHSXEESVSA-N 1 3 227.352 0.441 20 0 BCADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000662782694 409912762 /nfs/dbraw/zinc/91/27/62/409912762.db2.gz FYMSBAMXWIJUKL-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662757067 409881801 /nfs/dbraw/zinc/88/18/01/409881801.db2.gz LQOCYERBEYKGIN-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO C[NH2+]CC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662839040 409945981 /nfs/dbraw/zinc/94/59/81/409945981.db2.gz OUTFAHLIQAWXCU-QWRGUYRKSA-N 1 3 225.336 0.339 20 0 BCADHO CC(C)([NH3+])C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662839719 409948285 /nfs/dbraw/zinc/94/82/85/409948285.db2.gz UCGWOIOALRTGJO-QWRGUYRKSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000662844945 409949042 /nfs/dbraw/zinc/94/90/42/409949042.db2.gz JAMPXYIWEZTVMO-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@]1(NC(=O)c2ccc3c(c2)CNC3)CC[NH2+]C1 ZINC000663010154 410028108 /nfs/dbraw/zinc/02/81/08/410028108.db2.gz IHNMYUGLTBRHPN-CQSZACIVSA-N 1 3 245.326 0.772 20 0 BCADHO O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCCNCC1 ZINC000655411701 410215644 /nfs/dbraw/zinc/21/56/44/410215644.db2.gz HLFFFLDBIXGEKI-YPMHNXCESA-N 1 3 237.347 0.198 20 0 BCADHO CC[C@H](N)C(=O)NCc1ccccc1C[NH2+]C ZINC000653210896 410165331 /nfs/dbraw/zinc/16/53/31/410165331.db2.gz KUNIIYBHNJXLIX-LBPRGKRZSA-N 1 3 235.331 0.760 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223003 410171535 /nfs/dbraw/zinc/17/15/35/410171535.db2.gz YZQHTBGCRRKYLP-WDEREUQCSA-N 1 3 239.363 0.620 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000653240094 410181311 /nfs/dbraw/zinc/18/13/11/410181311.db2.gz JWCVZVQRSFTVBU-AXFHLTTASA-N 1 3 227.352 0.700 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CCC(CC[NH3+])CC1 ZINC000653256666 410240277 /nfs/dbraw/zinc/24/02/77/410240277.db2.gz XJQKWPKXIJJHDW-NSHDSACASA-N 1 3 239.363 0.572 20 0 BCADHO NC1(C(=O)N2CCC(CC[NH3+])CC2)CCCC1 ZINC000653257384 410240792 /nfs/dbraw/zinc/24/07/92/410240792.db2.gz VVCBPDPQQVRQDA-UHFFFAOYSA-N 1 3 239.363 0.845 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)N(C)C ZINC000655445985 410268352 /nfs/dbraw/zinc/26/83/52/410268352.db2.gz WJVSGEPOIIWKLR-NQBHXWOUSA-N 1 3 239.363 0.442 20 0 BCADHO Cn1ccc(CNCCC2(C[NH3+])CC2)n1 ZINC000650712765 410344143 /nfs/dbraw/zinc/34/41/43/410344143.db2.gz SWYVNIRIZQNXII-UHFFFAOYSA-N 1 3 208.309 0.639 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653267806 410317157 /nfs/dbraw/zinc/31/71/57/410317157.db2.gz WPSWSVDCZWLHBD-LLVKDONJSA-N 1 3 241.379 0.866 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743630 410377045 /nfs/dbraw/zinc/37/70/45/410377045.db2.gz XZRNURBBYMQLGV-CHWFTXMASA-N 1 3 225.336 0.357 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000650743042 410377604 /nfs/dbraw/zinc/37/76/04/410377604.db2.gz KZZUPXOPTCLTBO-VLEAKVRGSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@H](COCC1CC1)N[C@@H](C)C1C[NH2+]C1 ZINC000650760844 410409927 /nfs/dbraw/zinc/40/99/27/410409927.db2.gz NINPSFSQWNTXBU-ZJUUUORDSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](COCC1CC1)[NH2+][C@@H](C)C1CNC1 ZINC000650760844 410409936 /nfs/dbraw/zinc/40/99/36/410409936.db2.gz NINPSFSQWNTXBU-ZJUUUORDSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCN1CCCCC1 ZINC000653274637 410554690 /nfs/dbraw/zinc/55/46/90/410554690.db2.gz LEYJVRGTTUISLI-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)CCN1CCCCC1 ZINC000653274889 410555784 /nfs/dbraw/zinc/55/57/84/410555784.db2.gz RKJSMRZSWGEOLH-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655488822 410800919 /nfs/dbraw/zinc/80/09/19/410800919.db2.gz GQAKYZLKINESJY-GRYCIOLGSA-N 1 3 241.379 0.816 20 0 BCADHO CCC[C@@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396460134 410886782 /nfs/dbraw/zinc/88/67/82/410886782.db2.gz MEMYSBPDXQQOKJ-CMPLNLGQSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](NC(=O)CNC1CC1)C1CC[NH+](C)CC1 ZINC000396440639 410881469 /nfs/dbraw/zinc/88/14/69/410881469.db2.gz TXUBKHDIVAYOPJ-SNVBAGLBSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](NC(=O)C1(N)CCC1)C1CC[NH+](C)CC1 ZINC000396432606 410881788 /nfs/dbraw/zinc/88/17/88/410881788.db2.gz HYIKOSUQRAGKMF-SNVBAGLBSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](NC(=O)C1(N)CC1)C1CC[NH+](C)CC1 ZINC000396431368 410882101 /nfs/dbraw/zinc/88/21/01/410882101.db2.gz GNFJFHOUGYVWSZ-VIFPVBQESA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037610134 167098491 /nfs/dbraw/zinc/09/84/91/167098491.db2.gz YHRGXKDFFOLXKL-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037610134 167098492 /nfs/dbraw/zinc/09/84/92/167098492.db2.gz YHRGXKDFFOLXKL-NWDGAFQWSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)CNC ZINC000041680148 169786660 /nfs/dbraw/zinc/78/66/60/169786660.db2.gz DYBXGKAMMXIMPV-VIFPVBQESA-N 1 3 201.314 0.052 20 0 BCADHO C[C@H](c1ccncc1)N1CCC(O)(C[NH3+])CC1 ZINC000397050866 410912705 /nfs/dbraw/zinc/91/27/05/410912705.db2.gz RAZNTAZBQUTIKA-LLVKDONJSA-N 1 3 235.331 0.928 20 0 BCADHO CC(C)COCCN(C)CCN1CC[NH2+]CC1 ZINC000232636463 487619566 /nfs/dbraw/zinc/61/95/66/487619566.db2.gz NVHKLDRHPBNXFG-UHFFFAOYSA-N 1 3 243.395 0.496 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000399692547 411059577 /nfs/dbraw/zinc/05/95/77/411059577.db2.gz YMKBNQUSGLNPRO-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO COC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000300046075 411078661 /nfs/dbraw/zinc/07/86/61/411078661.db2.gz UDSSFFXUTSTPSU-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NC[C@H]1CCCN(C)C1 ZINC000044538959 411137424 /nfs/dbraw/zinc/13/74/24/411137424.db2.gz BAZFUDSHGWZUKR-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO COC[C@H](C)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000045706769 411148475 /nfs/dbraw/zinc/14/84/75/411148475.db2.gz CZCLMYYWEKXIQA-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000045706769 411148476 /nfs/dbraw/zinc/14/84/76/411148476.db2.gz CZCLMYYWEKXIQA-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1CC[C@H](N)[C@@H](C)C1 ZINC000045706769 411148477 /nfs/dbraw/zinc/14/84/77/411148477.db2.gz CZCLMYYWEKXIQA-VWYCJHECSA-N 1 3 200.326 0.938 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659550968 411156136 /nfs/dbraw/zinc/15/61/36/411156136.db2.gz SMQQANJKQQUTOG-OPRDCNLKSA-N 1 3 246.330 0.195 20 0 BCADHO CN1CCC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000069733723 411158315 /nfs/dbraw/zinc/15/83/15/411158315.db2.gz CJDCWEPOYNRMMX-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978302 411159944 /nfs/dbraw/zinc/15/99/44/411159944.db2.gz PRECWGIKYQKSBE-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO COC[C@H](CC(C)(C)C)NC[C@H](O)C[NH+](C)C ZINC000652151699 411161583 /nfs/dbraw/zinc/16/15/83/411161583.db2.gz ZYGHGHDYPXBAQC-RYUDHWBXSA-N 1 3 246.395 0.950 20 0 BCADHO [NH3+]CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655961346 411162743 /nfs/dbraw/zinc/16/27/43/411162743.db2.gz OIZUSIJMHHNVOO-GHMZBOCLSA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1CN(C)C ZINC000061645182 411174785 /nfs/dbraw/zinc/17/47/85/411174785.db2.gz UMFUALGFYCXYLX-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C[NH2+]CC2CC2)CCN1C ZINC000132955117 411177847 /nfs/dbraw/zinc/17/78/47/411177847.db2.gz IYRMOWSMMIUCEY-ZYHUDNBSSA-N 1 3 239.363 0.585 20 0 BCADHO O=C1C[C@@H]([NH2+]CCCN2CCCC2)CCCN1 ZINC000111826972 411181434 /nfs/dbraw/zinc/18/14/34/411181434.db2.gz YWQMGABDYVZWKD-LBPRGKRZSA-N 1 3 239.363 0.731 20 0 BCADHO O=C1C[C@@H](NCCC[NH+]2CCCC2)CCCN1 ZINC000111826972 411181436 /nfs/dbraw/zinc/18/14/36/411181436.db2.gz YWQMGABDYVZWKD-LBPRGKRZSA-N 1 3 239.363 0.731 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655515380 411182300 /nfs/dbraw/zinc/18/23/00/411182300.db2.gz ZIDVZSMHXLZVJE-ZETCQYMHSA-N 1 3 241.257 0.332 20 0 BCADHO Cn1nnc2c1CC[C@@H](N[C@@H]1CCC[NH2+]CC1)C2 ZINC000656193816 411199397 /nfs/dbraw/zinc/19/93/97/411199397.db2.gz UMEJQJMFAXWYFD-GHMZBOCLSA-N 1 3 249.362 0.404 20 0 BCADHO CCc1nncn1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656196787 411201566 /nfs/dbraw/zinc/20/15/66/411201566.db2.gz HIHJSKVHZZPCGL-MNOVXSKESA-N 1 3 237.351 0.700 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000656198792 411202699 /nfs/dbraw/zinc/20/26/99/411202699.db2.gz SGHRDRUAXKGZDC-VWYCJHECSA-N 1 3 239.363 0.903 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000656198792 411202702 /nfs/dbraw/zinc/20/27/02/411202702.db2.gz SGHRDRUAXKGZDC-VWYCJHECSA-N 1 3 239.363 0.903 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NCCOC[C@H]2CCOC2)C1 ZINC000656197688 411203016 /nfs/dbraw/zinc/20/30/16/411203016.db2.gz XQUMIGXSMKACMC-YNEHKIRRSA-N 1 3 242.363 0.899 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N)C1 ZINC000656198790 411203109 /nfs/dbraw/zinc/20/31/09/411203109.db2.gz SGHRDRUAXKGZDC-DCAQKATOSA-N 1 3 239.363 0.903 20 0 BCADHO CC1(C)NC(=O)CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000656198790 411203110 /nfs/dbraw/zinc/20/31/10/411203110.db2.gz SGHRDRUAXKGZDC-DCAQKATOSA-N 1 3 239.363 0.903 20 0 BCADHO CC(C)N1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000656197830 411203495 /nfs/dbraw/zinc/20/34/95/411203495.db2.gz MUKUCSGUYDTGTO-SDDRHHMPSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCc2c(nnn2C)C1 ZINC000656200255 411204130 /nfs/dbraw/zinc/20/41/30/411204130.db2.gz KNLFDRZOKLHFKW-AEJSXWLSSA-N 1 3 237.351 0.388 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000656200255 411204134 /nfs/dbraw/zinc/20/41/34/411204134.db2.gz KNLFDRZOKLHFKW-AEJSXWLSSA-N 1 3 237.351 0.388 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)CC(C)(C)OC ZINC000652338553 411204759 /nfs/dbraw/zinc/20/47/59/411204759.db2.gz WCFXQKXCWCYNSC-NSHDSACASA-N 1 3 218.341 0.314 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)CC(C)(C)OC ZINC000652338553 411204763 /nfs/dbraw/zinc/20/47/63/411204763.db2.gz WCFXQKXCWCYNSC-NSHDSACASA-N 1 3 218.341 0.314 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130362839 411212582 /nfs/dbraw/zinc/21/25/82/411212582.db2.gz RVSVTAQDUIDYCS-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000652358565 411213690 /nfs/dbraw/zinc/21/36/90/411213690.db2.gz RWTAMZDRXDRPGA-DGCLKSJQSA-N 1 3 244.379 0.297 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000652358564 411213867 /nfs/dbraw/zinc/21/38/67/411213867.db2.gz RWTAMZDRXDRPGA-AAEUAGOBSA-N 1 3 244.379 0.297 20 0 BCADHO C[C@@H]([NH2+][C@H]1CCNC1=O)C1CCN(C)CC1 ZINC000658052324 411219860 /nfs/dbraw/zinc/21/98/60/411219860.db2.gz BYALAOCOTZKZGD-KOLCDFICSA-N 1 3 225.336 0.195 20 0 BCADHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000655785312 411226756 /nfs/dbraw/zinc/22/67/56/411226756.db2.gz LCYKFCIEQAMUJT-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000655785312 411226760 /nfs/dbraw/zinc/22/67/60/411226760.db2.gz LCYKFCIEQAMUJT-TUAOUCFPSA-N 1 3 230.352 0.456 20 0 BCADHO CCCN1CC[C@H](NC(=O)N(C)CCC[NH3+])C1 ZINC000659608431 411228463 /nfs/dbraw/zinc/22/84/63/411228463.db2.gz CUJHOWQTXNJNIM-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000309409475 411241984 /nfs/dbraw/zinc/24/19/84/411241984.db2.gz IKJYCTXVZFAWPR-GUBZILKMSA-N 1 3 213.325 0.226 20 0 BCADHO CCOC(=O)CC1(NCCC[NH3+])CCOCC1 ZINC000596111650 411165897 /nfs/dbraw/zinc/16/58/97/411165897.db2.gz ZQHXMZHVEFOBAC-UHFFFAOYSA-N 1 3 244.335 0.427 20 0 BCADHO CCOC(=O)CC1([NH2+]CCCN)CCOCC1 ZINC000596111650 411165902 /nfs/dbraw/zinc/16/59/02/411165902.db2.gz ZQHXMZHVEFOBAC-UHFFFAOYSA-N 1 3 244.335 0.427 20 0 BCADHO CC[C@@](C)(N)c1cn(C2CC[NH2+]CC2)nn1 ZINC000656457500 411266900 /nfs/dbraw/zinc/26/69/00/411266900.db2.gz XHLOWRJKVBRWQP-LLVKDONJSA-N 1 3 223.324 0.787 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N(C)C[C@H]1CCCN1C ZINC000659642187 411277643 /nfs/dbraw/zinc/27/76/43/411277643.db2.gz JTASSOOJHGNRTL-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)[C@@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466224 411277943 /nfs/dbraw/zinc/27/79/43/411277943.db2.gz AHVKRGNYPFLSDB-MWLCHTKSSA-N 1 3 223.324 0.858 20 0 BCADHO CC(C)[C@H](N)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656466223 411278094 /nfs/dbraw/zinc/27/80/94/411278094.db2.gz AHVKRGNYPFLSDB-KOLCDFICSA-N 1 3 223.324 0.858 20 0 BCADHO CC(C)[C@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466225 411278618 /nfs/dbraw/zinc/27/86/18/411278618.db2.gz AHVKRGNYPFLSDB-ONGXEEELSA-N 1 3 223.324 0.858 20 0 BCADHO CC[C@@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467355 411279428 /nfs/dbraw/zinc/27/94/28/411279428.db2.gz OQOWWJQLJKSPBM-DTWKUNHWSA-N 1 3 209.297 0.612 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694739 411281453 /nfs/dbraw/zinc/28/14/53/411281453.db2.gz IXFWROWVOJYZIE-ILDUYXDCSA-N 1 3 227.352 0.746 20 0 BCADHO C(C1CC1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000051889659 411285384 /nfs/dbraw/zinc/28/53/84/411285384.db2.gz IDBQOCVDWHVUBQ-CYBMUJFWSA-N 1 3 223.364 0.624 20 0 BCADHO CC1(C(=O)Nc2ccc3c(c2)CNC3)C[NH2+]C1 ZINC000335029141 167874437 /nfs/dbraw/zinc/87/44/37/167874437.db2.gz XMXRSUDQLVVKEU-UHFFFAOYSA-N 1 3 231.299 0.838 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000659645636 411299348 /nfs/dbraw/zinc/29/93/48/411299348.db2.gz KLZSCQQPTWLYMF-MNOVXSKESA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H]1CNC[C@@H]([NH2+]CCCn2ccnc2)C1 ZINC000401759493 411318156 /nfs/dbraw/zinc/31/81/56/411318156.db2.gz HCCNBXBRYJMGRE-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@@H]1C[NH2+]C[C@@H](NCCCn2ccnc2)C1 ZINC000401759493 411318160 /nfs/dbraw/zinc/31/81/60/411318160.db2.gz HCCNBXBRYJMGRE-RYUDHWBXSA-N 1 3 222.336 0.861 20 0 BCADHO CN1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558991 411324426 /nfs/dbraw/zinc/32/44/26/411324426.db2.gz BSKDXALCLPVHSQ-CHWSQXEVSA-N 1 3 241.379 0.127 20 0 BCADHO CN1CCC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000629558991 411324429 /nfs/dbraw/zinc/32/44/29/411324429.db2.gz BSKDXALCLPVHSQ-CHWSQXEVSA-N 1 3 241.379 0.127 20 0 BCADHO CN1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558998 411324478 /nfs/dbraw/zinc/32/44/78/411324478.db2.gz BSKDXALCLPVHSQ-STQMWFEESA-N 1 3 241.379 0.127 20 0 BCADHO CN1CCC[C@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629558998 411324481 /nfs/dbraw/zinc/32/44/81/411324481.db2.gz BSKDXALCLPVHSQ-STQMWFEESA-N 1 3 241.379 0.127 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1NCC1(C)C ZINC000653444817 411256175 /nfs/dbraw/zinc/25/61/75/411256175.db2.gz PXMGLVMRRWRTLC-UTLUCORTSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H](CC(=O)N(C)C)[NH2+]CC1(N)CCCC1 ZINC000656789688 411370820 /nfs/dbraw/zinc/37/08/20/411370820.db2.gz VMCMUGWRJMPCRC-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1CCCNC1)C2 ZINC000656790897 411370920 /nfs/dbraw/zinc/37/09/20/411370920.db2.gz CGXWJBMYLJETTH-AGIUHOORSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1CCCNC1)C2 ZINC000656790897 411370925 /nfs/dbraw/zinc/37/09/25/411370925.db2.gz CGXWJBMYLJETTH-AGIUHOORSA-N 1 3 224.348 0.954 20 0 BCADHO NC1(C(=O)N2CCC[C@@H]([NH3+])C2)CC2(CCC2)C1 ZINC000659247747 411381290 /nfs/dbraw/zinc/38/12/90/411381290.db2.gz CHIYPOPXCMILOX-SNVBAGLBSA-N 1 3 237.347 0.598 20 0 BCADHO CC1CCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000050464561 168180201 /nfs/dbraw/zinc/18/02/01/168180201.db2.gz ONEPBKKOKYJLTQ-MNOVXSKESA-N 1 3 225.336 0.182 20 0 BCADHO CC1CCN(CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000040772510 168181907 /nfs/dbraw/zinc/18/19/07/168181907.db2.gz GDFWGXCVIJBEBP-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCC[N@H+](CCC(=O)N(C)C)[C@H]1CCN ZINC000404287051 411388614 /nfs/dbraw/zinc/38/86/14/411388614.db2.gz INJNLMXMRQCMAQ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)[C@H]1CCN ZINC000404287051 411388617 /nfs/dbraw/zinc/38/86/17/411388617.db2.gz INJNLMXMRQCMAQ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]1CCCN(CCC(=O)N(C)C)[C@H]1CC[NH3+] ZINC000404287051 411388620 /nfs/dbraw/zinc/38/86/20/411388620.db2.gz INJNLMXMRQCMAQ-RYUDHWBXSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)[NH2+]CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000659303751 411391289 /nfs/dbraw/zinc/39/12/89/411391289.db2.gz VEESEUHMWTZPPN-UHFFFAOYSA-N 1 3 248.330 0.664 20 0 BCADHO CC(C)([NH3+])CCC(=O)N1CCCNCC1 ZINC000069633634 411457962 /nfs/dbraw/zinc/45/79/62/411457962.db2.gz UTPXFNGTLLKUIY-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)NCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000659324210 411394655 /nfs/dbraw/zinc/39/46/55/411394655.db2.gz GTCASFCQZPLVSK-GFCCVEGCSA-N 1 3 247.342 0.901 20 0 BCADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncnn1C ZINC000647795790 411401237 /nfs/dbraw/zinc/40/12/37/411401237.db2.gz WDNLUYIYVNEHOW-WHOHXGKFSA-N 1 3 249.362 0.854 20 0 BCADHO C[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]1 ZINC000659388853 411410026 /nfs/dbraw/zinc/41/00/26/411410026.db2.gz NCOBCADDYOTSBF-KKZNHRDASA-N 1 3 229.299 0.026 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000659456776 411417226 /nfs/dbraw/zinc/41/72/26/411417226.db2.gz SFSIYPAFPMCLNH-NXEZZACHSA-N 1 3 240.351 0.130 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCCNCC1 ZINC000405137835 411418955 /nfs/dbraw/zinc/41/89/55/411418955.db2.gz CBQRWUDUWSKLLN-WDEREUQCSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C ZINC000659502335 411423368 /nfs/dbraw/zinc/42/33/68/411423368.db2.gz WFGQEJMUGFWQKK-VIFPVBQESA-N 1 3 230.356 0.315 20 0 BCADHO CN(C)CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662602 411425313 /nfs/dbraw/zinc/42/53/13/411425313.db2.gz VSYXJSPTPHQLDE-PHIMTYICSA-N 1 3 242.367 0.187 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NCC[NH2+]CC)C1 ZINC000659515458 411426014 /nfs/dbraw/zinc/42/60/14/411426014.db2.gz UJDHXQOTHHVWMT-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](OC)CC1 ZINC000653612976 411439882 /nfs/dbraw/zinc/43/98/82/411439882.db2.gz OWGLBWCESCFOLD-QWHCGFSZSA-N 1 3 244.379 0.800 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](OC)CC1 ZINC000653612976 411439885 /nfs/dbraw/zinc/43/98/85/411439885.db2.gz OWGLBWCESCFOLD-QWHCGFSZSA-N 1 3 244.379 0.800 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1CN ZINC000405836128 411442259 /nfs/dbraw/zinc/44/22/59/411442259.db2.gz CPIRZLKZGHWYMD-IJLUTSLNSA-N 1 3 228.336 0.319 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1CN ZINC000405836128 411442262 /nfs/dbraw/zinc/44/22/62/411442262.db2.gz CPIRZLKZGHWYMD-IJLUTSLNSA-N 1 3 228.336 0.319 20 0 BCADHO CCO[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405836128 411442264 /nfs/dbraw/zinc/44/22/64/411442264.db2.gz CPIRZLKZGHWYMD-IJLUTSLNSA-N 1 3 228.336 0.319 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407322070 411479728 /nfs/dbraw/zinc/47/97/28/411479728.db2.gz JVUKWSIVBOPGJK-WDEREUQCSA-N 1 3 225.336 0.195 20 0 BCADHO N[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000127647655 411499426 /nfs/dbraw/zinc/49/94/26/411499426.db2.gz BIDZBRYNWLVKAW-WCQYABFASA-N 1 3 247.342 0.802 20 0 BCADHO CC[C@@H]1C[C@H](NC[C@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438028 411510524 /nfs/dbraw/zinc/51/05/24/411510524.db2.gz YPWIEMVJIAPBIR-QJPTWQEYSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@@H]1C[C@H](NC[C@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438028 411510526 /nfs/dbraw/zinc/51/05/26/411510526.db2.gz YPWIEMVJIAPBIR-QJPTWQEYSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H]1C[C@@H]([NH2+]CCOCCN(C)C)CO1 ZINC000657437853 411510675 /nfs/dbraw/zinc/51/06/75/411510675.db2.gz LZTGIXDDXQGFPP-NEPJUHHUSA-N 1 3 230.352 0.722 20 0 BCADHO CNCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638873078 411511770 /nfs/dbraw/zinc/51/17/70/411511770.db2.gz CBTIEZONFHBZLY-LBPRGKRZSA-N 1 3 235.331 0.282 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000659544197 411512358 /nfs/dbraw/zinc/51/23/58/411512358.db2.gz QYVQZXZWNALZMO-UFFNRZRYSA-N 1 3 240.351 0.285 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]([NH3+])CC)C1 ZINC000659547117 411517254 /nfs/dbraw/zinc/51/72/54/411517254.db2.gz AUTZHMRIFXFOFZ-WDEREUQCSA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000659991713 411522509 /nfs/dbraw/zinc/52/25/09/411522509.db2.gz ALDVQXGTHBQPNR-CHWSQXEVSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000659991713 411522512 /nfs/dbraw/zinc/52/25/12/411522512.db2.gz ALDVQXGTHBQPNR-CHWSQXEVSA-N 1 3 244.379 0.390 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012800 411527644 /nfs/dbraw/zinc/52/76/44/411527644.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(CCc3cn[nH]n3)CC[C@@H]21 ZINC000660012800 411527647 /nfs/dbraw/zinc/52/76/47/411527647.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 1 3 249.362 0.763 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012800 411527649 /nfs/dbraw/zinc/52/76/49/411527649.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 1 3 249.362 0.763 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(CCc3c[nH]nn3)CC[C@@H]21 ZINC000660012800 411527651 /nfs/dbraw/zinc/52/76/51/411527651.db2.gz UPQDYUNEHARQQF-YPMHNXCESA-N 1 3 249.362 0.763 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC000107895347 170005781 /nfs/dbraw/zinc/00/57/81/170005781.db2.gz BFPXIUNGBSCZAX-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC000107895347 170005782 /nfs/dbraw/zinc/00/57/82/170005782.db2.gz BFPXIUNGBSCZAX-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000372119201 170008040 /nfs/dbraw/zinc/00/80/40/170008040.db2.gz XPTFEOGGUXUXAK-CMPLNLGQSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000372119201 170008041 /nfs/dbraw/zinc/00/80/41/170008041.db2.gz XPTFEOGGUXUXAK-CMPLNLGQSA-N 1 3 243.326 0.146 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC)C[C@@H]1C ZINC000354210333 170018854 /nfs/dbraw/zinc/01/88/54/170018854.db2.gz SJSDPWWKIKVJNN-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC)C[C@@H]1C ZINC000354210333 170018855 /nfs/dbraw/zinc/01/88/55/170018855.db2.gz SJSDPWWKIKVJNN-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@H]2COCCO2)[C@@H](C)C1 ZINC000358224507 170021241 /nfs/dbraw/zinc/02/12/41/170021241.db2.gz QXQUBJFMKFFZSZ-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@H]2COCCO2)[C@@H](C)C1 ZINC000358224507 170021243 /nfs/dbraw/zinc/02/12/43/170021243.db2.gz QXQUBJFMKFFZSZ-AVGNSLFASA-N 1 3 242.363 0.722 20 0 BCADHO CCNC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377267892 170049736 /nfs/dbraw/zinc/04/97/36/170049736.db2.gz QYOUSKRVDMSDRP-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCNC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000377267892 170049737 /nfs/dbraw/zinc/04/97/37/170049737.db2.gz QYOUSKRVDMSDRP-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCNC(=O)CN(CC)CC[C@H]1CCC[NH2+]C1 ZINC000051919231 170056335 /nfs/dbraw/zinc/05/63/35/170056335.db2.gz RTBAJZBKEZPLQH-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CCNC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000006651228 170094863 /nfs/dbraw/zinc/09/48/63/170094863.db2.gz WIFMIFWPDBQTCC-NSHDSACASA-N 1 3 241.379 0.973 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](CN)c1ccccc1 ZINC000358917520 170157899 /nfs/dbraw/zinc/15/78/99/170157899.db2.gz VDPDYGQPMWMOBM-YPMHNXCESA-N 1 3 249.358 0.843 20 0 BCADHO CCOCCCN1CC[C@H](C[NH2+]C)C1 ZINC000011892059 170375105 /nfs/dbraw/zinc/37/51/05/170375105.db2.gz CWDFEWQFMASIDS-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657842079 411610469 /nfs/dbraw/zinc/61/04/69/411610469.db2.gz TUWHFBAHOBWZOI-NWDGAFQWSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)Cn2cncn2)C1 ZINC000657842079 411610471 /nfs/dbraw/zinc/61/04/71/411610471.db2.gz TUWHFBAHOBWZOI-NWDGAFQWSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@@H](C)Cn2cncn2)C1 ZINC000657842079 411610473 /nfs/dbraw/zinc/61/04/73/411610473.db2.gz TUWHFBAHOBWZOI-NWDGAFQWSA-N 1 3 237.351 0.598 20 0 BCADHO C[C@@H](C[NH3+])N(C)Cc1nc2c(s1)CNCC2 ZINC000663494982 411674436 /nfs/dbraw/zinc/67/44/36/411674436.db2.gz MKQXPUJZOMIKSY-QMMMGPOBSA-N 1 3 240.376 0.568 20 0 BCADHO CC(C)[C@H]([NH3+])CCN[C@@H](C)CC(=O)N(C)C ZINC000663504138 411687661 /nfs/dbraw/zinc/68/76/61/411687661.db2.gz WPZIEQAHGGNMDR-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CC[C@@H](F)[C@H](N)C1 ZINC000663505489 411687986 /nfs/dbraw/zinc/68/79/86/411687986.db2.gz IWOJWTBCLDWRID-HBNTYKKESA-N 1 3 217.332 0.731 20 0 BCADHO C[C@H]1C[C@@H](CN2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512204 411695904 /nfs/dbraw/zinc/69/59/04/411695904.db2.gz ZIXSLUQNCIPQTA-RYUDHWBXSA-N 1 3 239.363 0.049 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000019430585 170793955 /nfs/dbraw/zinc/79/39/55/170793955.db2.gz TWCZDBRVXIYDJS-MNOVXSKESA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037824281 170861478 /nfs/dbraw/zinc/86/14/78/170861478.db2.gz ZFJVESJGNFMFFK-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO Nc1ncc(CN2CCC(C[NH3+])CC2)s1 ZINC000381578100 411976076 /nfs/dbraw/zinc/97/60/76/411976076.db2.gz ZDNCPPGWDQCDJK-UHFFFAOYSA-N 1 3 226.349 0.896 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000219972975 412009807 /nfs/dbraw/zinc/00/98/07/412009807.db2.gz HVGIAZIOVOLLQG-ZYHUDNBSSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000219972975 412009809 /nfs/dbraw/zinc/00/98/09/412009809.db2.gz HVGIAZIOVOLLQG-ZYHUDNBSSA-N 1 3 241.379 0.959 20 0 BCADHO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)N ZINC000664721545 412014392 /nfs/dbraw/zinc/01/43/92/412014392.db2.gz SCDFJOFSYXDNTJ-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)N ZINC000664721545 412014395 /nfs/dbraw/zinc/01/43/95/412014395.db2.gz SCDFJOFSYXDNTJ-VIFPVBQESA-N 1 3 215.341 0.570 20 0 BCADHO CCN1CC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000662233630 412032478 /nfs/dbraw/zinc/03/24/78/412032478.db2.gz HORRSBMYEDXHKZ-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO C([C@@H]1CNCCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000662234781 412034424 /nfs/dbraw/zinc/03/44/24/412034424.db2.gz MUZRURZLUJAVSU-ZDUSSCGKSA-N 1 3 239.363 0.191 20 0 BCADHO COC[C@@H](CN[C@@](C)(C[NH3+])C(C)C)OC ZINC000662248685 412036968 /nfs/dbraw/zinc/03/69/68/412036968.db2.gz AQURPOPJJQQPPK-MNOVXSKESA-N 1 3 218.341 0.611 20 0 BCADHO C[N@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662251902 412048318 /nfs/dbraw/zinc/04/83/18/412048318.db2.gz GMYSHVYSBBGNHE-NSHDSACASA-N 1 3 210.321 0.849 20 0 BCADHO C[N@@H+](CC1CC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662251902 412048320 /nfs/dbraw/zinc/04/83/20/412048320.db2.gz GMYSHVYSBBGNHE-NSHDSACASA-N 1 3 210.321 0.849 20 0 BCADHO C[C@H](O)CC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254360 412049389 /nfs/dbraw/zinc/04/93/89/412049389.db2.gz HOCGWMVMCKKYEP-WDEREUQCSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H](O)CC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254360 412049393 /nfs/dbraw/zinc/04/93/93/412049393.db2.gz HOCGWMVMCKKYEP-WDEREUQCSA-N 1 3 228.336 0.210 20 0 BCADHO CCCN(C[C@@H]1CNCCO1)C1CC[NH2+]CC1 ZINC000662262971 412053097 /nfs/dbraw/zinc/05/30/97/412053097.db2.gz JHYBAJFGQQRVQS-ZDUSSCGKSA-N 1 3 241.379 0.439 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@H]3CNCCO3)C[C@H]21 ZINC000662267516 412060337 /nfs/dbraw/zinc/06/03/37/412060337.db2.gz WFLOHYKUNCFMIR-FDYHWXHSSA-N 1 3 239.363 0.034 20 0 BCADHO COC[C@@H](CN1CCCC[C@H]1CC[NH3+])OC ZINC000662272856 412063697 /nfs/dbraw/zinc/06/36/97/412063697.db2.gz JLVUFVMEWAWHHN-NWDGAFQWSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@@H+]1CCCC[C@H]1CCN)OC ZINC000662272856 412063704 /nfs/dbraw/zinc/06/37/04/412063704.db2.gz JLVUFVMEWAWHHN-NWDGAFQWSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@H+]1CCCC[C@H]1CCN)OC ZINC000662272856 412063706 /nfs/dbraw/zinc/06/37/06/412063706.db2.gz JLVUFVMEWAWHHN-NWDGAFQWSA-N 1 3 230.352 0.851 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000353473815 171148801 /nfs/dbraw/zinc/14/88/01/171148801.db2.gz VOXBXTADWROICB-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](CC(F)F)CN(C)C[C@H](O)C[NH3+] ZINC000662278650 412070665 /nfs/dbraw/zinc/07/06/65/412070665.db2.gz ZYUKLVUNZWOBAI-DTWKUNHWSA-N 1 3 224.295 0.919 20 0 BCADHO CCCCOCC[NH2+]C1(CO)CCNCC1 ZINC000662285654 412077573 /nfs/dbraw/zinc/07/75/73/412077573.db2.gz KUQVBWIWIJCLAO-UHFFFAOYSA-N 1 3 230.352 0.507 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N(C)C ZINC000126463529 171229112 /nfs/dbraw/zinc/22/91/12/171229112.db2.gz CBUDERRNLUKJAS-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N(C)C ZINC000126463529 171229114 /nfs/dbraw/zinc/22/91/14/171229114.db2.gz CBUDERRNLUKJAS-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)CC[NH+](C)C)N(C)C ZINC000338964650 171232717 /nfs/dbraw/zinc/23/27/17/171232717.db2.gz QWLXXPOYHDGYIQ-GHMZBOCLSA-N 1 3 229.368 0.783 20 0 BCADHO OCC1(NCC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000662283333 412075312 /nfs/dbraw/zinc/07/53/12/412075312.db2.gz IANQTXQUNDBSCX-NSHDSACASA-N 1 3 228.336 0.260 20 0 BCADHO COCCCCCNC1(CO)CC[NH2+]CC1 ZINC000662287041 412079297 /nfs/dbraw/zinc/07/92/97/412079297.db2.gz QPNGQFGCQQHKKJ-UHFFFAOYSA-N 1 3 230.352 0.507 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192236 171369585 /nfs/dbraw/zinc/36/95/85/171369585.db2.gz SDFARXHROFNTKZ-CMPLNLGQSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309798645 171371029 /nfs/dbraw/zinc/37/10/29/171371029.db2.gz QTBBJVDEXQJTRT-LPEHRKFASA-N 1 3 215.341 0.459 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000377126991 171371595 /nfs/dbraw/zinc/37/15/95/171371595.db2.gz LVWWEKPFXDFGLK-LAVVOLMRSA-N 1 3 239.363 0.759 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185025802 171394149 /nfs/dbraw/zinc/39/41/49/171394149.db2.gz HATPCRGEDSYUKX-SVNGYHJRSA-N 1 3 239.363 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000040467844 171394416 /nfs/dbraw/zinc/39/44/16/171394416.db2.gz MIRHUBURNMQKPO-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000040467844 171394418 /nfs/dbraw/zinc/39/44/18/171394418.db2.gz MIRHUBURNMQKPO-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000375255226 171394429 /nfs/dbraw/zinc/39/44/29/171394429.db2.gz DMRBEGHKNLMXCL-SVNGYHJRSA-N 1 3 239.363 0.841 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCC[NH2+]C ZINC000083343681 171394648 /nfs/dbraw/zinc/39/46/48/171394648.db2.gz JDEVCILUNZKCID-IUCAKERBSA-N 1 3 201.314 0.086 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NCCN1CCCC[C@@H]1C ZINC000662386495 412140207 /nfs/dbraw/zinc/14/02/07/412140207.db2.gz BBJPZVZGALLNLK-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCCN ZINC000662301228 412086569 /nfs/dbraw/zinc/08/65/69/412086569.db2.gz PMDRXCVYXFLKDJ-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCN ZINC000662301228 412086571 /nfs/dbraw/zinc/08/65/71/412086571.db2.gz PMDRXCVYXFLKDJ-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO C[C@H](CO)[C@@H]1CCCCN1CCC[NH3+] ZINC000662301228 412086574 /nfs/dbraw/zinc/08/65/74/412086574.db2.gz PMDRXCVYXFLKDJ-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO CN1CCN(CC[C@@H]2CCC[NH2+]C2)CCC1=O ZINC000662313084 412094030 /nfs/dbraw/zinc/09/40/30/412094030.db2.gz JJMMYVCFEMSZGZ-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO N[C@@H]1CN(CC[C@H]2CCC[NH2+]C2)CC[C@H]1F ZINC000662323116 412100063 /nfs/dbraw/zinc/10/00/63/412100063.db2.gz LCQGUXDOBUDULH-IJLUTSLNSA-N 1 3 229.343 0.747 20 0 BCADHO O=C(NC1CC[NH2+]CC1)c1cccc2c1CNC2 ZINC000662391378 412141922 /nfs/dbraw/zinc/14/19/22/412141922.db2.gz VRODNZZJJCZINO-UHFFFAOYSA-N 1 3 245.326 0.772 20 0 BCADHO CNC[C@](C)(O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662332460 412106168 /nfs/dbraw/zinc/10/61/68/412106168.db2.gz WDQNDNVLTIOYIX-JQWIXIFHSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@](C)(O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662332460 412106170 /nfs/dbraw/zinc/10/61/70/412106170.db2.gz WDQNDNVLTIOYIX-JQWIXIFHSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)C[C@@H]1CC1(C)C ZINC000662332460 412106175 /nfs/dbraw/zinc/10/61/75/412106175.db2.gz WDQNDNVLTIOYIX-JQWIXIFHSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC1CCN(CC)CC1 ZINC000662364852 412125493 /nfs/dbraw/zinc/12/54/93/412125493.db2.gz LPMQWVVDJQJPEJ-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO NC1(C(=O)NCCC[NH3+])CC2(CCC2)C1 ZINC000662393772 412143109 /nfs/dbraw/zinc/14/31/09/412143109.db2.gz JPYILJOQGDNXSM-UHFFFAOYSA-N 1 3 211.309 0.113 20 0 BCADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H]1CCCO1 ZINC000665236387 412177312 /nfs/dbraw/zinc/17/73/12/412177312.db2.gz LTIUUIYYBSGKCL-FIQHERPVSA-N 1 3 228.336 0.507 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000662450912 412179699 /nfs/dbraw/zinc/17/96/99/412179699.db2.gz FLZWTPUXXBEIAS-RYUDHWBXSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCCN1CC ZINC000662453971 412182072 /nfs/dbraw/zinc/18/20/72/412182072.db2.gz HCKPOKDXHKBQMI-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)C[NH2+]C(C)C ZINC000662461699 412183272 /nfs/dbraw/zinc/18/32/72/412183272.db2.gz DRXYYYWFDWWRHG-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)CNC(C)C ZINC000662461699 412183276 /nfs/dbraw/zinc/18/32/76/412183276.db2.gz DRXYYYWFDWWRHG-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000662554554 412214676 /nfs/dbraw/zinc/21/46/76/412214676.db2.gz QDHUXLZIVVLHLA-JTQLQIEISA-N 1 3 213.325 0.243 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000662474102 412188171 /nfs/dbraw/zinc/18/81/71/412188171.db2.gz UCAQWJLEAIWFEK-SRVKXCTJSA-N 1 3 241.379 0.783 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000662474330 412188344 /nfs/dbraw/zinc/18/83/44/412188344.db2.gz ZAILDWFIQHJNQY-OUAUKWLOSA-N 1 3 227.352 0.535 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C[C@H]1NCc2ccccc21 ZINC000662554344 412214855 /nfs/dbraw/zinc/21/48/55/412214855.db2.gz PJUCTZZULWMGSX-BXKDBHETSA-N 1 3 233.315 0.684 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN(C)CCCOC ZINC000662477287 412189686 /nfs/dbraw/zinc/18/96/86/412189686.db2.gz XPJXVBUGVWBDNI-NSHDSACASA-N 1 3 245.367 0.069 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665245394 412189807 /nfs/dbraw/zinc/18/98/07/412189807.db2.gz HKHBKFNIGOXOLO-MROQNXINSA-N 1 3 242.363 0.768 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000662497431 412194568 /nfs/dbraw/zinc/19/45/68/412194568.db2.gz IESDRMMPOMUNOJ-YWVKMMECSA-N 1 3 225.336 0.193 20 0 BCADHO C[NH+](C)CCNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662517137 412202538 /nfs/dbraw/zinc/20/25/38/412202538.db2.gz ROFYSHINSHDAKM-ZDUSSCGKSA-N 1 3 247.342 0.899 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N(CCN(C)C)C1CC1 ZINC000662542656 412209565 /nfs/dbraw/zinc/20/95/65/412209565.db2.gz RFYKQMPYKXCBRG-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H]1CN(C(=O)CNC(C)C)CC[C@H]1[NH3+] ZINC000662558061 412210020 /nfs/dbraw/zinc/21/00/20/412210020.db2.gz SLOBDDSENGXWLC-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CCCN(C(=O)CNC(C)C)C1CC[NH2+]CC1 ZINC000662548679 412211594 /nfs/dbraw/zinc/21/15/94/412211594.db2.gz UIDKNBALZRLJDO-UHFFFAOYSA-N 1 3 241.379 0.975 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662396267 412145651 /nfs/dbraw/zinc/14/56/51/412145651.db2.gz SVHAWFOBQOVPGC-LLVKDONJSA-N 1 3 245.326 0.506 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662395942 412146282 /nfs/dbraw/zinc/14/62/82/412146282.db2.gz MOBJCVFNCXHKCG-NSHDSACASA-N 1 3 237.347 0.481 20 0 BCADHO CC(C)NCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000662408974 412154214 /nfs/dbraw/zinc/15/42/14/412154214.db2.gz BRMYJGARPUWPIQ-SNVBAGLBSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)NCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000662408973 412154641 /nfs/dbraw/zinc/15/46/41/412154641.db2.gz BRMYJGARPUWPIQ-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO O=C(NCC[NH2+]C1CC1)c1cccc2c1CNC2 ZINC000662410701 412155751 /nfs/dbraw/zinc/15/57/51/412155751.db2.gz CXSIZEOIMSCHPB-UHFFFAOYSA-N 1 3 245.326 0.772 20 0 BCADHO CN(CCC[NH3+])C(=O)c1cccc2c1CCNC2 ZINC000662422630 412162422 /nfs/dbraw/zinc/16/24/22/412162422.db2.gz YCBHMNVXJNPABM-UHFFFAOYSA-N 1 3 247.342 0.753 20 0 BCADHO C[NH2+]CCC1CCN(C(=O)CNC(C)C)CC1 ZINC000662551219 412214067 /nfs/dbraw/zinc/21/40/67/412214067.db2.gz KLKXEOJGMDIRNH-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)CNC(C)C)CC1 ZINC000662431111 412168062 /nfs/dbraw/zinc/16/80/62/412168062.db2.gz ZUGBFBAIWHHADC-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO COC[C@H](CC[NH2+][C@H](C)C[C@H](C)N)OC ZINC000665234393 412174264 /nfs/dbraw/zinc/17/42/64/412174264.db2.gz CFIHLMYZFXGKBQ-AXFHLTTASA-N 1 3 218.341 0.753 20 0 BCADHO COC[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OC ZINC000665235406 412174945 /nfs/dbraw/zinc/17/49/45/412174945.db2.gz VVJDIMRLIKLVJK-ZGVCCVRISA-N 1 3 242.363 0.911 20 0 BCADHO CC(C)NCC(=O)NCC1([NH3+])CCCC1 ZINC000662646267 412255591 /nfs/dbraw/zinc/25/55/91/412255591.db2.gz HPUXPPDBUCJLLT-UHFFFAOYSA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662649439 412256082 /nfs/dbraw/zinc/25/60/82/412256082.db2.gz POVKZEWZHXPONM-SECBINFHSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1cnccn1 ZINC000576695266 412259261 /nfs/dbraw/zinc/25/92/61/412259261.db2.gz LWCBHDNHPRGHQL-RYUDHWBXSA-N 1 3 249.362 0.866 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662676267 412266888 /nfs/dbraw/zinc/26/68/88/412266888.db2.gz UIEHECAMUZMCKL-ZYXZCXLHSA-N 1 3 225.336 0.454 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662674911 412267476 /nfs/dbraw/zinc/26/74/76/412267476.db2.gz GFJBDOQWBBSRSD-YZRBJQDESA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)CC1([NH3+])CC1 ZINC000662679875 412268564 /nfs/dbraw/zinc/26/85/64/412268564.db2.gz DBLKLONNYLPVHO-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO N[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)C1CCC1 ZINC000662683942 412270854 /nfs/dbraw/zinc/27/08/54/412270854.db2.gz XNEGQJIQKSQRFN-KRBLXSNTSA-N 1 3 223.320 0.064 20 0 BCADHO C[C@@H](CNC(=O)C1(NC2CC2)CCC1)[NH+](C)C ZINC000662691324 412273411 /nfs/dbraw/zinc/27/34/11/412273411.db2.gz GMLDIWNOGSXEIB-JTQLQIEISA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](CN1CCC(C)CC1)NC(=O)CCC[NH3+] ZINC000662693655 412273451 /nfs/dbraw/zinc/27/34/51/412273451.db2.gz KODZMIFIIRJRHK-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)C1 ZINC000662703512 412276510 /nfs/dbraw/zinc/27/65/10/412276510.db2.gz LBJZXNIAHCRHFX-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000662703925 412276607 /nfs/dbraw/zinc/27/66/07/412276607.db2.gz WFTGHICWPNVIDQ-GUBZILKMSA-N 1 3 223.320 0.077 20 0 BCADHO CCN(CC)CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662719103 412280935 /nfs/dbraw/zinc/28/09/35/412280935.db2.gz APZOCNPROYYABE-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662725737 412284691 /nfs/dbraw/zinc/28/46/91/412284691.db2.gz VVWRWKWUDCECTJ-AXFHLTTASA-N 1 3 229.368 0.849 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H](C)NC)CC[C@@H]1[NH3+] ZINC000662556546 412216284 /nfs/dbraw/zinc/21/62/84/412216284.db2.gz AIBXZHDFDIFGKO-GUBZILKMSA-N 1 3 213.325 0.180 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000662555199 412216298 /nfs/dbraw/zinc/21/62/98/412216298.db2.gz ZOOCQYWLLGDIFQ-NAKRPEOUSA-N 1 3 225.336 0.180 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000662555197 412216453 /nfs/dbraw/zinc/21/64/53/412216453.db2.gz ZOOCQYWLLGDIFQ-MMWGEVLESA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662560549 412218917 /nfs/dbraw/zinc/21/89/17/412218917.db2.gz GFGLSPLFEUPCPN-UWVGGRQHSA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)NCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000662563036 412220484 /nfs/dbraw/zinc/22/04/84/412220484.db2.gz CGFSVHAFYQVWGS-HAQNSBGRSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277952 412221240 /nfs/dbraw/zinc/22/12/40/412221240.db2.gz QGXBRQKYLRCHPI-YTOAPMJUSA-N 1 3 235.375 0.811 20 0 BCADHO C[C@H]([NH2+]CC12CC(C1)CN2)C(C)(C)n1cncn1 ZINC000665279529 412223412 /nfs/dbraw/zinc/22/34/12/412223412.db2.gz FRHLECUIHPQFEF-ZBOXLXRLSA-N 1 3 249.362 0.743 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621530 412232947 /nfs/dbraw/zinc/23/29/47/412232947.db2.gz IXEHLSLVCRWSIQ-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621530 412232951 /nfs/dbraw/zinc/23/29/51/412232951.db2.gz IXEHLSLVCRWSIQ-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595257 412233503 /nfs/dbraw/zinc/23/35/03/412233503.db2.gz ZFTHYVAMAPJXOR-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595257 412233506 /nfs/dbraw/zinc/23/35/06/412233506.db2.gz ZFTHYVAMAPJXOR-GHMZBOCLSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662621919 412244340 /nfs/dbraw/zinc/24/43/40/412244340.db2.gz LVLJUBNWAHXFCN-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000665296766 412244565 /nfs/dbraw/zinc/24/45/65/412244565.db2.gz XOFVKOIWYWJPSH-JBLDHEPKSA-N 1 3 211.353 0.667 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662621849 412245171 /nfs/dbraw/zinc/24/51/71/412245171.db2.gz XMIUPZRYNLVASF-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662629675 412248948 /nfs/dbraw/zinc/24/89/48/412248948.db2.gz AXJPOCPVGKBLLE-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662732308 412288260 /nfs/dbraw/zinc/28/82/60/412288260.db2.gz AJWOPASRQJASKX-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000662818120 412306431 /nfs/dbraw/zinc/30/64/31/412306431.db2.gz PIDAWODBENXVRB-NAKRPEOUSA-N 1 3 227.352 0.426 20 0 BCADHO NCC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663000574 412366305 /nfs/dbraw/zinc/36/63/05/412366305.db2.gz JVNGBXRRJOMMLW-NSHDSACASA-N 1 3 225.336 0.183 20 0 BCADHO NCC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000574 412366307 /nfs/dbraw/zinc/36/63/07/412366307.db2.gz JVNGBXRRJOMMLW-NSHDSACASA-N 1 3 225.336 0.183 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000662824051 412311594 /nfs/dbraw/zinc/31/15/94/412311594.db2.gz VMRAGSQTOZVBEH-LLVKDONJSA-N 1 3 239.363 0.775 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000662832053 412314824 /nfs/dbraw/zinc/31/48/24/412314824.db2.gz IIUGNOLHKUWYFZ-NXEZZACHSA-N 1 3 213.325 0.323 20 0 BCADHO C[NH2+]CC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662839038 412316881 /nfs/dbraw/zinc/31/68/81/412316881.db2.gz OUTFAHLIQAWXCU-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO [NH3+]CCC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662839331 412316898 /nfs/dbraw/zinc/31/68/98/412316898.db2.gz PVTORPIFEXRCSL-GHMZBOCLSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837780 412317237 /nfs/dbraw/zinc/31/72/37/412317237.db2.gz KZICEJBNLOMQAC-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837780 412317239 /nfs/dbraw/zinc/31/72/39/412317239.db2.gz KZICEJBNLOMQAC-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662851894 412323476 /nfs/dbraw/zinc/32/34/76/412323476.db2.gz FERQTJIRJXQWOS-DCAQKATOSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CCC[NH2+]C1 ZINC000662945904 412351325 /nfs/dbraw/zinc/35/13/25/412351325.db2.gz WRHUENSHZRMVLS-CKYFFXLPSA-N 1 3 243.326 0.274 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000662954769 412353363 /nfs/dbraw/zinc/35/33/63/412353363.db2.gz ZIOKOFRBQPXZLC-JQWIXIFHSA-N 1 3 235.331 0.453 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C[NH2+]C ZINC000662966685 412358641 /nfs/dbraw/zinc/35/86/41/412358641.db2.gz UPMFZMJLTLRDBH-VGMNWLOBSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C1(N)CC2(CCC2)C1 ZINC000662970099 412360305 /nfs/dbraw/zinc/36/03/05/412360305.db2.gz UPJDSUVDUZCFFL-SECBINFHSA-N 1 3 225.336 0.372 20 0 BCADHO CN(C(=O)[C@H]1CCC[NH2+]1)[C@H](CN)C(F)(F)F ZINC000662979049 412361374 /nfs/dbraw/zinc/36/13/74/412361374.db2.gz TZFWQLAMTLZRQY-RNFRBKRXSA-N 1 3 239.241 0.086 20 0 BCADHO CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H](CN)C(F)(F)F ZINC000662979051 412361574 /nfs/dbraw/zinc/36/15/74/412361574.db2.gz TZFWQLAMTLZRQY-RQJHMYQMSA-N 1 3 239.241 0.086 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747899 412290442 /nfs/dbraw/zinc/29/04/42/412290442.db2.gz GFMVRPNWCARWJG-DJLDLDEBSA-N 1 3 217.288 0.012 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CN1C1CC1 ZINC000662755365 412292033 /nfs/dbraw/zinc/29/20/33/412292033.db2.gz YTIWZZIZBNEBRP-NXEZZACHSA-N 1 3 237.347 0.609 20 0 BCADHO [NH3+]C1(CNC(=O)C2(NC3CC3)CCC2)CCC1 ZINC000662763627 412293362 /nfs/dbraw/zinc/29/33/62/412293362.db2.gz BBXJHCVZBANSSI-UHFFFAOYSA-N 1 3 237.347 0.659 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC2([NH3+])CC2)[C@H]1C ZINC000662771799 412296847 /nfs/dbraw/zinc/29/68/47/412296847.db2.gz ANFYPJKZMOKDDF-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)C1(NC2CC2)CCC1 ZINC000662774055 412297800 /nfs/dbraw/zinc/29/78/00/412297800.db2.gz MDYFIFZAVBBNNL-PHIMTYICSA-N 1 3 249.358 0.339 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNc1cnccn1 ZINC000422883177 412300348 /nfs/dbraw/zinc/30/03/48/412300348.db2.gz BUAFYRIKIQZVES-NEPJUHHUSA-N 1 3 249.362 0.996 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000422883177 412300352 /nfs/dbraw/zinc/30/03/52/412300352.db2.gz BUAFYRIKIQZVES-NEPJUHHUSA-N 1 3 249.362 0.996 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662783841 412301722 /nfs/dbraw/zinc/30/17/22/412301722.db2.gz RSYIAPLWQUOQMY-SECBINFHSA-N 1 3 225.336 0.515 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCNc2cnccn2)C1 ZINC000572542006 412302025 /nfs/dbraw/zinc/30/20/25/412302025.db2.gz PZMZOFHJBNSQBK-MNOVXSKESA-N 1 3 235.335 0.748 20 0 BCADHO CN1CCC(C(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000663011772 412370195 /nfs/dbraw/zinc/37/01/95/412370195.db2.gz RQQSZKMOQBKWPN-GFCCVEGCSA-N 1 3 225.336 0.196 20 0 BCADHO CN(C(=O)C[C@@H](N)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000178806835 172312816 /nfs/dbraw/zinc/31/28/16/172312816.db2.gz RIHHHSIITWBOJV-CHWSQXEVSA-N 1 3 247.342 0.897 20 0 BCADHO CN(C(=O)[C@H](N)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000178409373 172331445 /nfs/dbraw/zinc/33/14/45/172331445.db2.gz OGHSTWXVCAEDLF-QWHCGFSZSA-N 1 3 247.342 0.377 20 0 BCADHO CN(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000334982168 172365121 /nfs/dbraw/zinc/36/51/21/172365121.db2.gz YVQHNBHDASUHBK-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)C(C)(C)N ZINC000040925049 172393636 /nfs/dbraw/zinc/39/36/36/172393636.db2.gz NQMPGTGAHYLNCY-UHFFFAOYSA-N 1 3 201.314 0.180 20 0 BCADHO C[NH+](C)C1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000037616180 172405491 /nfs/dbraw/zinc/40/54/91/172405491.db2.gz JOXDWCMALGFSTC-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO CN1CCC(NC(=O)C2([NH3+])CCCC2)CC1 ZINC000037479468 172990655 /nfs/dbraw/zinc/99/06/55/172990655.db2.gz YBWCXVPPOBFPME-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CN1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000134474994 173011849 /nfs/dbraw/zinc/01/18/49/173011849.db2.gz NRYGGEVPJODWTJ-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO CN1CCCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336678719 173014265 /nfs/dbraw/zinc/01/42/65/173014265.db2.gz CXTIWPUKDUBHIX-ZDUSSCGKSA-N 1 3 241.379 0.079 20 0 BCADHO CN1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336678719 173014266 /nfs/dbraw/zinc/01/42/66/173014266.db2.gz CXTIWPUKDUBHIX-ZDUSSCGKSA-N 1 3 241.379 0.079 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1CC[C@H](CC(N)=O)C1 ZINC000377505927 173027851 /nfs/dbraw/zinc/02/78/51/173027851.db2.gz QWOYMGNZLHAJIA-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1CC[C@H](CC(N)=O)C1 ZINC000377505927 173027854 /nfs/dbraw/zinc/02/78/54/173027854.db2.gz QWOYMGNZLHAJIA-VXGBXAGGSA-N 1 3 239.363 0.668 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH3+] ZINC000333934975 173030550 /nfs/dbraw/zinc/03/05/50/173030550.db2.gz JAGRBYYSZLMISQ-WDEREUQCSA-N 1 3 240.351 0.213 20 0 BCADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000227333542 173036030 /nfs/dbraw/zinc/03/60/30/173036030.db2.gz UBZGJGYVHUHOCN-GHMZBOCLSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000227333542 173036033 /nfs/dbraw/zinc/03/60/33/173036033.db2.gz UBZGJGYVHUHOCN-GHMZBOCLSA-N 1 3 237.347 0.420 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000044538751 173042464 /nfs/dbraw/zinc/04/24/64/173042464.db2.gz XLJGAGCAHJFARF-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226393955 173057624 /nfs/dbraw/zinc/05/76/24/173057624.db2.gz QYAMNNVLVGAEPJ-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN)c2)C1 ZINC000037645621 173116390 /nfs/dbraw/zinc/11/63/90/173116390.db2.gz IDSINUDPNFMGIY-LBPRGKRZSA-N 1 3 247.342 0.827 20 0 BCADHO C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN)c2)C1 ZINC000037645621 173116391 /nfs/dbraw/zinc/11/63/91/173116391.db2.gz IDSINUDPNFMGIY-LBPRGKRZSA-N 1 3 247.342 0.827 20 0 BCADHO C[N@@H+]1CC[C@@]2(CCN(CCCCO)C2)C1 ZINC000308988976 173139648 /nfs/dbraw/zinc/13/96/48/173139648.db2.gz NAPVBUCCGHKAAE-GFCCVEGCSA-N 1 3 212.337 0.787 20 0 BCADHO C[N@H+]1CC[C@@]2(CCN(CCCCO)C2)C1 ZINC000308988976 173139651 /nfs/dbraw/zinc/13/96/51/173139651.db2.gz NAPVBUCCGHKAAE-GFCCVEGCSA-N 1 3 212.337 0.787 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN)c2)C1 ZINC000037645620 173144984 /nfs/dbraw/zinc/14/49/84/173144984.db2.gz IDSINUDPNFMGIY-GFCCVEGCSA-N 1 3 247.342 0.827 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN)c2)C1 ZINC000037645620 173144986 /nfs/dbraw/zinc/14/49/86/173144986.db2.gz IDSINUDPNFMGIY-GFCCVEGCSA-N 1 3 247.342 0.827 20 0 BCADHO CNC(=O)CC[NH+]1CCC(N(C)C)CC1 ZINC000358654534 173251696 /nfs/dbraw/zinc/25/16/96/173251696.db2.gz UJNMYBDTANBTOA-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CNC(=O)C[C@@H](C)NCCC[NH+](C)C ZINC000308582213 173280707 /nfs/dbraw/zinc/28/07/07/173280707.db2.gz GYMBUZSTRXUEKQ-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO CNC(=O)C[C@@H](C)[NH2+]CCCN1CCCC1 ZINC000309983661 173280790 /nfs/dbraw/zinc/28/07/90/173280790.db2.gz XIJQEOKGMNASEG-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CNC(=O)C[C@@H](C)NCCC[NH+]1CCCC1 ZINC000309983661 173280791 /nfs/dbraw/zinc/28/07/91/173280791.db2.gz XIJQEOKGMNASEG-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CNC(=O)C[C@H](C)NCCC[NH+]1CCCCC1 ZINC000352687396 173281817 /nfs/dbraw/zinc/28/18/17/173281817.db2.gz WWXZXKOAWZVHDY-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000341982827 173283205 /nfs/dbraw/zinc/28/32/05/173283205.db2.gz VLGOFRLSEWLPMX-SDDRHHMPSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000341982827 173283206 /nfs/dbraw/zinc/28/32/06/173283206.db2.gz VLGOFRLSEWLPMX-SDDRHHMPSA-N 1 3 241.379 0.973 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000226439133 173301470 /nfs/dbraw/zinc/30/14/70/173301470.db2.gz XKSMTIDRQDKNKH-GHMZBOCLSA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCCNC1 ZINC000226439133 173301471 /nfs/dbraw/zinc/30/14/71/173301471.db2.gz XKSMTIDRQDKNKH-GHMZBOCLSA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC000226439133 173301472 /nfs/dbraw/zinc/30/14/72/173301472.db2.gz XKSMTIDRQDKNKH-GHMZBOCLSA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000237058439 173322734 /nfs/dbraw/zinc/32/27/34/173322734.db2.gz NJTNNYFJTMOUPK-UHFFFAOYSA-N 1 3 227.352 0.537 20 0 BCADHO CNCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000237179168 173324294 /nfs/dbraw/zinc/32/42/94/173324294.db2.gz FSPNYDAXTNYQCB-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CNCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000237179168 173324295 /nfs/dbraw/zinc/32/42/95/173324295.db2.gz FSPNYDAXTNYQCB-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CNCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826172 173325153 /nfs/dbraw/zinc/32/51/53/173325153.db2.gz BVRIDTVWUVZVTM-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000249418006 173325606 /nfs/dbraw/zinc/32/56/06/173325606.db2.gz DCWOANOVQADHIX-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000249418006 173325608 /nfs/dbraw/zinc/32/56/08/173325608.db2.gz DCWOANOVQADHIX-VHSXEESVSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336424102 173326337 /nfs/dbraw/zinc/32/63/37/173326337.db2.gz KNEFJRIEYYGRLS-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000237212488 173328249 /nfs/dbraw/zinc/32/82/49/173328249.db2.gz MOAAHFQIFVFNGY-UHFFFAOYSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]CC(=O)NCCN1CCC[C@@H](C)C1 ZINC000237224235 173328927 /nfs/dbraw/zinc/32/89/27/173328927.db2.gz JUNMVCZQZHPGAD-SNVBAGLBSA-N 1 3 213.325 0.054 20 0 BCADHO CNCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000019517302 173328998 /nfs/dbraw/zinc/32/89/98/173328998.db2.gz UXBCSSOMFDQRGO-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000019517302 173329000 /nfs/dbraw/zinc/32/90/00/173329000.db2.gz UXBCSSOMFDQRGO-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CNCC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237251869 173330486 /nfs/dbraw/zinc/33/04/86/173330486.db2.gz NDTTWRBMHJMKMR-TUAOUCFPSA-N 1 3 241.379 0.688 20 0 BCADHO CNCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000237251869 173330488 /nfs/dbraw/zinc/33/04/88/173330488.db2.gz NDTTWRBMHJMKMR-TUAOUCFPSA-N 1 3 241.379 0.688 20 0 BCADHO C[NH2+]CC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000193142736 173331826 /nfs/dbraw/zinc/33/18/26/173331826.db2.gz QEKIXOVZEZACBN-GFCCVEGCSA-N 1 3 249.358 0.843 20 0 BCADHO C[NH2+]CC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000040809141 173331878 /nfs/dbraw/zinc/33/18/78/173331878.db2.gz ZSFPXUQWTSOULF-LBPRGKRZSA-N 1 3 235.331 0.625 20 0 BCADHO C[NH2+]CC1CCN(Cc2cnn(C)c2)CC1 ZINC000051756237 173338725 /nfs/dbraw/zinc/33/87/25/173338725.db2.gz OXZAAPKZBWDGRG-UHFFFAOYSA-N 1 3 222.336 0.852 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000357252277 173339396 /nfs/dbraw/zinc/33/93/96/173339396.db2.gz WBPCZIIDKVMUPN-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO C[NH2+]CCC(=O)N(CCN(C)C)C1CCCC1 ZINC000043605390 173339566 /nfs/dbraw/zinc/33/95/66/173339566.db2.gz YBCUDDSOIZFFNT-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH2+]CCC(=O)Nc1cccc2c1CNCC2 ZINC000375986409 173342243 /nfs/dbraw/zinc/34/22/43/173342243.db2.gz DNPHBJADJVSBDZ-UHFFFAOYSA-N 1 3 233.315 0.880 20 0 BCADHO C[NH2+]CCCC(=O)NC1CCN(C2CC2)CC1 ZINC000037611407 173344031 /nfs/dbraw/zinc/34/40/31/173344031.db2.gz BZQGILVCMACPJF-UHFFFAOYSA-N 1 3 239.363 0.729 20 0 BCADHO C[NH2+]CCCN(C)C[C@H]1CCCOC1 ZINC000082544482 173346164 /nfs/dbraw/zinc/34/61/64/173346164.db2.gz BJBATGBHKMQRQB-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@H+](C)C[C@H]1CCCOC1 ZINC000082544482 173346165 /nfs/dbraw/zinc/34/61/65/173346165.db2.gz BJBATGBHKMQRQB-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000082544482 173346166 /nfs/dbraw/zinc/34/61/66/173346166.db2.gz BJBATGBHKMQRQB-LLVKDONJSA-N 1 3 200.326 0.954 20 0 BCADHO C[NH2+]CCCN1CCC[C@@H](CC(N)=O)C1 ZINC000309639956 173346861 /nfs/dbraw/zinc/34/68/61/173346861.db2.gz OHFTUKAVGLCKLN-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO C[NH2+]CCCN1CCN(CC2CC2)CC1 ZINC000042491052 173347164 /nfs/dbraw/zinc/34/71/64/173347164.db2.gz GNVJZJMFWFEFGO-UHFFFAOYSA-N 1 3 211.353 0.624 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H]1NCCCC1(C)C ZINC000234355250 173351983 /nfs/dbraw/zinc/35/19/83/173351983.db2.gz TZHKHEKMYLZZSB-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H]1NCCCC1(C)C ZINC000234356084 173352278 /nfs/dbraw/zinc/35/22/78/173352278.db2.gz TZHKHEKMYLZZSB-SNVBAGLBSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000246698471 173362644 /nfs/dbraw/zinc/36/26/44/173362644.db2.gz WAYIDDJVMCZYIP-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245467974 173362670 /nfs/dbraw/zinc/36/26/70/173362670.db2.gz SRNOAJDSBCWREZ-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000226394638 173363116 /nfs/dbraw/zinc/36/31/16/173363116.db2.gz MDPIFUYNFITDKD-ZJUUUORDSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000226394650 173363511 /nfs/dbraw/zinc/36/35/11/173363511.db2.gz MDPIFUYNFITDKD-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000092132820 173363618 /nfs/dbraw/zinc/36/36/18/173363618.db2.gz AXNCPKAZJCHMCE-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)CC(C)C ZINC000237313972 173364059 /nfs/dbraw/zinc/36/40/59/173364059.db2.gz VWFZEHNAWYDZQI-NXEZZACHSA-N 1 3 215.341 0.332 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000237317082 173373826 /nfs/dbraw/zinc/37/38/26/173373826.db2.gz RPGXZIJBPIOUMU-NEPJUHHUSA-N 1 3 241.379 0.690 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000245467975 173374154 /nfs/dbraw/zinc/37/41/54/173374154.db2.gz SRNOAJDSBCWREZ-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO C[NH2+]C[C@H]1CCCN([C@@H](C)COC)C1 ZINC000053199456 173379271 /nfs/dbraw/zinc/37/92/71/173379271.db2.gz PHXWYSLJSOAZLF-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]C[C@H]1CCN(CCCN2CCOCC2)C1 ZINC000053030923 173380482 /nfs/dbraw/zinc/38/04/82/173380482.db2.gz ABDUDCCQWKGKOF-CYBMUJFWSA-N 1 3 241.379 0.250 20 0 BCADHO CNC[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000053034000 173381732 /nfs/dbraw/zinc/38/17/32/173381732.db2.gz OIHOJSJBYBJDDH-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000053034000 173381733 /nfs/dbraw/zinc/38/17/33/173381733.db2.gz OIHOJSJBYBJDDH-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000053034000 173381735 /nfs/dbraw/zinc/38/17/35/173381735.db2.gz OIHOJSJBYBJDDH-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000250748092 173381827 /nfs/dbraw/zinc/38/18/27/173381827.db2.gz OIHOJSJBYBJDDH-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000250748092 173381829 /nfs/dbraw/zinc/38/18/29/173381829.db2.gz OIHOJSJBYBJDDH-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H]1CCN(C[C@H]2CCCOC2)C1 ZINC000250748092 173381830 /nfs/dbraw/zinc/38/18/30/173381830.db2.gz OIHOJSJBYBJDDH-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO COC(C)(C)[C@@H](C)[NH2+]CCOCCN(C)C ZINC000300970944 173949589 /nfs/dbraw/zinc/94/95/89/173949589.db2.gz JFWNWGHNTXQCQF-LLVKDONJSA-N 1 3 232.368 0.968 20 0 BCADHO COCCCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000309037637 174179900 /nfs/dbraw/zinc/17/99/00/174179900.db2.gz JDPCAFKVLZJVOZ-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO COCCN(C)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192098188 174276401 /nfs/dbraw/zinc/27/64/01/174276401.db2.gz CUTHTIWRNSBMQE-QWRGUYRKSA-N 1 3 245.367 0.054 20 0 BCADHO COCCOCCN1CCCC[C@H]1CC[NH3+] ZINC000070481638 174353285 /nfs/dbraw/zinc/35/32/85/174353285.db2.gz WSWDKMZLPRYXEL-LBPRGKRZSA-N 1 3 230.352 0.853 20 0 BCADHO COCCOCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366485009 174354610 /nfs/dbraw/zinc/35/46/10/174354610.db2.gz VAXRNOSABOPWER-CYBMUJFWSA-N 1 3 242.363 0.677 20 0 BCADHO COCCOCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366485009 174354612 /nfs/dbraw/zinc/35/46/12/174354612.db2.gz VAXRNOSABOPWER-CYBMUJFWSA-N 1 3 242.363 0.677 20 0 BCADHO C[C@@H]1CNC[C@@H]([NH2+]CCC(=O)N(C)C)C1 ZINC000401640264 487628683 /nfs/dbraw/zinc/62/86/83/487628683.db2.gz GXJPQWPYXWILKB-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000062973549 175704439 /nfs/dbraw/zinc/70/44/39/175704439.db2.gz MUZHRFPJDMIHDO-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)N(C)C ZINC000045108007 175721601 /nfs/dbraw/zinc/72/16/01/175721601.db2.gz PNLOHDJSSCHNGU-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365094235 175795993 /nfs/dbraw/zinc/79/59/93/175795993.db2.gz NPGSRABAVLCKOQ-YWVKMMECSA-N 1 3 211.309 0.064 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)C(C)(C)[NH3+] ZINC000237677233 176071234 /nfs/dbraw/zinc/07/12/34/176071234.db2.gz NGLFDRFUYDCOEM-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CCc2n[nH]cc2C1 ZINC000332634740 176186603 /nfs/dbraw/zinc/18/66/03/176186603.db2.gz ZZPVZSQWFMLWNN-SUZMYJTESA-N 1 3 234.347 0.855 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NCCN2CCCC2)C1 ZINC000126124028 176187233 /nfs/dbraw/zinc/18/72/33/176187233.db2.gz WTXGSKGCDXAJCA-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC(C)(C)[NH+](C)C)C1 ZINC000126903300 176187413 /nfs/dbraw/zinc/18/74/13/176187413.db2.gz YZOBHOSLXBPJLL-MNOVXSKESA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCCCC[NH3+] ZINC000357805429 176198858 /nfs/dbraw/zinc/19/88/58/176198858.db2.gz XQKFTPQIVAPHGT-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)CC2(C[NH3+])CC2)[C@H](C)CN1 ZINC000335157072 176244588 /nfs/dbraw/zinc/24/45/88/176244588.db2.gz PPNLYLKZBONPDL-NXEZZACHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000356343312 176247843 /nfs/dbraw/zinc/24/78/43/176247843.db2.gz JYIKJYCETVDRBY-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)CN1 ZINC000356371887 176255235 /nfs/dbraw/zinc/25/52/35/176255235.db2.gz HHSCLEIEYKYYCB-GWOFURMSSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCN(C)C ZINC000362877200 176271448 /nfs/dbraw/zinc/27/14/48/176271448.db2.gz RZJVMQKHTCSWBW-MNOVXSKESA-N 1 3 227.352 0.204 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCN(C)C ZINC000362877200 176271450 /nfs/dbraw/zinc/27/14/50/176271450.db2.gz RZJVMQKHTCSWBW-MNOVXSKESA-N 1 3 227.352 0.204 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000341211604 176271792 /nfs/dbraw/zinc/27/17/92/176271792.db2.gz OQRQOELTDFZCQL-PWSUYJOCSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000341211604 176271794 /nfs/dbraw/zinc/27/17/94/176271794.db2.gz OQRQOELTDFZCQL-PWSUYJOCSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)N(C)C ZINC000362498297 176272383 /nfs/dbraw/zinc/27/23/83/176272383.db2.gz LLIMYRNIYVSNCS-VWYCJHECSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)N(C)C ZINC000362498297 176272385 /nfs/dbraw/zinc/27/23/85/176272385.db2.gz LLIMYRNIYVSNCS-VWYCJHECSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N(C)C ZINC000037751909 176278696 /nfs/dbraw/zinc/27/86/96/176278696.db2.gz KDNWHEHKQPFKGQ-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC(=O)N(C)C ZINC000037751909 176278697 /nfs/dbraw/zinc/27/86/97/176278697.db2.gz KDNWHEHKQPFKGQ-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)CN(C)C ZINC000361232272 176280541 /nfs/dbraw/zinc/28/05/41/176280541.db2.gz XXNMEYNELWPRSA-FDYHWXHSSA-N 1 3 243.395 0.227 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)CC[N@@H+]1C ZINC000132923468 176372893 /nfs/dbraw/zinc/37/28/93/176372893.db2.gz GWTDEJXCYCNVQR-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)CC[N@H+]1C ZINC000132923468 176372894 /nfs/dbraw/zinc/37/28/94/176372894.db2.gz GWTDEJXCYCNVQR-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C[NH2+]CC2CC2)CCN1C ZINC000132955563 176372910 /nfs/dbraw/zinc/37/29/10/176372910.db2.gz IYRMOWSMMIUCEY-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH3+])CN1C1CC1 ZINC000331747658 176374439 /nfs/dbraw/zinc/37/44/39/176374439.db2.gz DVTVZQKHCJHVFT-NXEZZACHSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CCO1 ZINC000359322364 176374846 /nfs/dbraw/zinc/37/48/46/176374846.db2.gz MXUZCVLYVGGUDQ-NEPJUHHUSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000128064402 176375903 /nfs/dbraw/zinc/37/59/03/176375903.db2.gz XZMRGPZWUMIJBC-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCO2)CC[N@H+]1C ZINC000128064402 176375905 /nfs/dbraw/zinc/37/59/05/176375905.db2.gz XZMRGPZWUMIJBC-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H](N)Cc1ccccc1 ZINC000289315368 176501689 /nfs/dbraw/zinc/50/16/89/176501689.db2.gz UDKYKRCNECYJLL-RAIGVLPGSA-N 1 3 247.342 0.505 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@H](C)C[NH3+] ZINC000044806162 176665451 /nfs/dbraw/zinc/66/54/51/176665451.db2.gz UCIVEVHYWBZIKI-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000111612220 176754435 /nfs/dbraw/zinc/75/44/35/176754435.db2.gz MECIPDXGQBOQNT-UWVGGRQHSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1CCCCN1CCNC(=O)C(C)(C)[NH3+] ZINC000237508591 177075355 /nfs/dbraw/zinc/07/53/55/177075355.db2.gz NGLFDRFUYDCOEM-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CCC[N@H+](CCn2cccn2)[C@H]1CN ZINC000251599634 177099963 /nfs/dbraw/zinc/09/99/63/177099963.db2.gz BQSZEHURVYFZKB-RYUDHWBXSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@H]1CCC[N@@H+](CCn2cccn2)[C@H]1CN ZINC000251599634 177099964 /nfs/dbraw/zinc/09/99/64/177099964.db2.gz BQSZEHURVYFZKB-RYUDHWBXSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(N)CC1 ZINC000353575899 177117906 /nfs/dbraw/zinc/11/79/06/177117906.db2.gz GAUHKCQCDGERLP-PHIMTYICSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1(N)CC1 ZINC000353575899 177117908 /nfs/dbraw/zinc/11/79/08/177117908.db2.gz GAUHKCQCDGERLP-PHIMTYICSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000346229978 177199538 /nfs/dbraw/zinc/19/95/38/177199538.db2.gz SUGRZBMCZUUYGI-WOPDTQHZSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC1(C[NH3+])CC1 ZINC000335157077 177213793 /nfs/dbraw/zinc/21/37/93/177213793.db2.gz PPNLYLKZBONPDL-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000336519613 177213934 /nfs/dbraw/zinc/21/39/34/177213934.db2.gz LUUUHMISXXZGEF-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1CN(C(=O)C[NH2+]CC2CC2)[C@@H](C)CN1 ZINC000356371365 177216823 /nfs/dbraw/zinc/21/68/23/177216823.db2.gz GPNXJZVILREXQI-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875588 177233565 /nfs/dbraw/zinc/23/35/65/177233565.db2.gz MFPJCHPLBNWYDW-QWRGUYRKSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000362875588 177233566 /nfs/dbraw/zinc/23/35/66/177233566.db2.gz MFPJCHPLBNWYDW-QWRGUYRKSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000362615720 177234985 /nfs/dbraw/zinc/23/49/85/177234985.db2.gz JDIGBEVRYXCMIW-JQWIXIFHSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCN(C)C1CC1 ZINC000362615720 177234987 /nfs/dbraw/zinc/23/49/87/177234987.db2.gz JDIGBEVRYXCMIW-JQWIXIFHSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H](CCN(C)C)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336752442 177236826 /nfs/dbraw/zinc/23/68/26/177236826.db2.gz GWINDRADFMBPPB-TUAOUCFPSA-N 1 3 213.369 0.866 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N(C)CC[NH3+] ZINC000331747276 177240269 /nfs/dbraw/zinc/24/02/69/177240269.db2.gz DQQJYCPQHCJWNC-ONGXEEELSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000357236384 177242828 /nfs/dbraw/zinc/24/28/28/177242828.db2.gz CVMZDWAVLXKZCK-WCABBAIRSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCNCC2)C1 ZINC000037482550 177313735 /nfs/dbraw/zinc/31/37/35/177313735.db2.gz XJFYXRDCBCSBDN-BETUJISGSA-N 1 3 225.380 0.870 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCNCC2)C1 ZINC000037482550 177313737 /nfs/dbraw/zinc/31/37/37/177313737.db2.gz XJFYXRDCBCSBDN-BETUJISGSA-N 1 3 225.380 0.870 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CN)C1 ZINC000237637418 177313899 /nfs/dbraw/zinc/31/38/99/177313899.db2.gz IRWXSEILVWLIKV-PHIMTYICSA-N 1 3 227.352 0.429 20 0 BCADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN)C1 ZINC000237637418 177313900 /nfs/dbraw/zinc/31/39/00/177313900.db2.gz IRWXSEILVWLIKV-PHIMTYICSA-N 1 3 227.352 0.429 20 0 BCADHO CN1CCN(C[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000082483740 487639761 /nfs/dbraw/zinc/63/97/61/487639761.db2.gz RMIBTMJFYUEESC-LLVKDONJSA-N 1 3 211.353 0.622 20 0 BCADHO O=C(N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000167659829 487641370 /nfs/dbraw/zinc/64/13/70/487641370.db2.gz KTQCAYYXICGKOY-NEPJUHHUSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000470188654 225055161 /nfs/dbraw/zinc/05/51/61/225055161.db2.gz SPEAVMQJCKTBCH-SDDRHHMPSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000494704793 226268574 /nfs/dbraw/zinc/26/85/74/226268574.db2.gz UCMIIZAYEIIDEK-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@H](NC[C@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000400483737 226344766 /nfs/dbraw/zinc/34/47/66/226344766.db2.gz CSTRFOWYWHOWTK-TUAOUCFPSA-N 1 3 211.353 0.811 20 0 BCADHO CN1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000226047588 487653484 /nfs/dbraw/zinc/65/34/84/487653484.db2.gz FGDDRODDPRZQON-QWHCGFSZSA-N 1 3 241.379 0.127 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCCC1 ZINC000335720944 487661394 /nfs/dbraw/zinc/66/13/94/487661394.db2.gz UWOOMEXHQMZJMF-VHSXEESVSA-N 1 3 225.336 0.644 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662594002 487663803 /nfs/dbraw/zinc/66/38/03/487663803.db2.gz QJRIWXTZCYNMNQ-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662594002 487663807 /nfs/dbraw/zinc/66/38/07/487663807.db2.gz QJRIWXTZCYNMNQ-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO CNCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662596149 487665891 /nfs/dbraw/zinc/66/58/91/487665891.db2.gz YYDGSMZKDZHVNQ-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO Cn1cncc1CCC[N@@H+]1CCC[C@@H]1CN ZINC000315072421 487670643 /nfs/dbraw/zinc/67/06/43/487670643.db2.gz LWYZJXWHOBPDJE-LLVKDONJSA-N 1 3 222.336 0.776 20 0 BCADHO Cn1cncc1CCC[N@H+]1CCC[C@@H]1CN ZINC000315072421 487670650 /nfs/dbraw/zinc/67/06/50/487670650.db2.gz LWYZJXWHOBPDJE-LLVKDONJSA-N 1 3 222.336 0.776 20 0 BCADHO [NH3+]CCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000087618514 487672612 /nfs/dbraw/zinc/67/26/12/487672612.db2.gz QRTJRWGOXJSWFQ-GFCCVEGCSA-N 1 3 233.315 0.338 20 0 BCADHO C[NH+](C)C[C@@]1(O)CCCN(CCCCO)C1 ZINC000639760524 487673671 /nfs/dbraw/zinc/67/36/71/487673671.db2.gz BJEJWRRQJNBZOR-LBPRGKRZSA-N 1 3 230.352 0.147 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CNC1(CO)CCCCC1 ZINC000383786602 487674035 /nfs/dbraw/zinc/67/40/35/487674035.db2.gz QEMIBADFEGIFHO-LBPRGKRZSA-N 1 3 244.379 0.584 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CNC1(CO)CCCCC1 ZINC000383786602 487674037 /nfs/dbraw/zinc/67/40/37/487674037.db2.gz QEMIBADFEGIFHO-LBPRGKRZSA-N 1 3 244.379 0.584 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000054073611 487682227 /nfs/dbraw/zinc/68/22/27/487682227.db2.gz VTGTYPJGAXWSJR-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000054073611 487682229 /nfs/dbraw/zinc/68/22/29/487682229.db2.gz VTGTYPJGAXWSJR-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO CC(C)[C@@H](CCO)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000384039529 487689629 /nfs/dbraw/zinc/68/96/29/487689629.db2.gz UWSBGFOYNOFCJY-CHWSQXEVSA-N 1 3 246.395 0.684 20 0 BCADHO CC(C)[C@@H](CCO)NC[C@@H](O)C[N@@H+](C)C(C)C ZINC000384039529 487689632 /nfs/dbraw/zinc/68/96/32/487689632.db2.gz UWSBGFOYNOFCJY-CHWSQXEVSA-N 1 3 246.395 0.684 20 0 BCADHO CN1CCC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000669402966 487703719 /nfs/dbraw/zinc/70/37/19/487703719.db2.gz CBAXWCNDVXTAFB-MNOVXSKESA-N 1 3 240.351 0.117 20 0 BCADHO CN1CCC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000669403064 487703758 /nfs/dbraw/zinc/70/37/58/487703758.db2.gz HFRPKSRLMIJVLT-MNOVXSKESA-N 1 3 240.351 0.213 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403071 487704164 /nfs/dbraw/zinc/70/41/64/487704164.db2.gz HPMRYAWBMJUJGO-GHMZBOCLSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](C)C2)CCN1 ZINC000669403345 487705431 /nfs/dbraw/zinc/70/54/31/487705431.db2.gz WADWGACERJHYNI-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H]1CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCN1 ZINC000669403345 487705437 /nfs/dbraw/zinc/70/54/37/487705437.db2.gz WADWGACERJHYNI-QWRGUYRKSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000669403022 487705578 /nfs/dbraw/zinc/70/55/78/487705578.db2.gz FJCSKOAKCTXQSA-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO CN1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000669403338 487705972 /nfs/dbraw/zinc/70/59/72/487705972.db2.gz VULWCJYQIAMKDV-WDEREUQCSA-N 1 3 240.351 0.213 20 0 BCADHO CN1CCC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000669403054 487705919 /nfs/dbraw/zinc/70/59/19/487705919.db2.gz HCACJEJXTAXNNC-SNVBAGLBSA-N 1 3 240.351 0.261 20 0 BCADHO C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000669403380 487707424 /nfs/dbraw/zinc/70/74/24/487707424.db2.gz YACIAUWNPCLLHS-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO CN(C(=O)CC(C)(C)[NH3+])C1CCN(C)CC1 ZINC000082771570 487728603 /nfs/dbraw/zinc/72/86/03/487728603.db2.gz GEFJPHHTIRNZKT-UHFFFAOYSA-N 1 3 227.352 0.666 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000226394236 487729900 /nfs/dbraw/zinc/72/99/00/487729900.db2.gz OGLVTAHWERCLCI-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])C1 ZINC000082772385 487731627 /nfs/dbraw/zinc/73/16/27/487731627.db2.gz BIQOKXUDSIOITM-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CN1CCC[C@H](NC(=O)CC2CC[NH2+]CC2)C1 ZINC000042361719 487734207 /nfs/dbraw/zinc/73/42/07/487734207.db2.gz LXVIXVSCNVVEFL-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N(C)C1CC1 ZINC000226398384 487734885 /nfs/dbraw/zinc/73/48/85/487734885.db2.gz SOUXLMIZMYMHKR-WCQGTBRESA-N 1 3 239.363 0.713 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NCCC[NH2+]C)C1 ZINC000659505128 487744892 /nfs/dbraw/zinc/74/48/92/487744892.db2.gz PWMDFNKHJQEFLY-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000390617963 487759091 /nfs/dbraw/zinc/75/90/91/487759091.db2.gz DNJIXOSNMUTUJI-RYUDHWBXSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC000390617963 487759099 /nfs/dbraw/zinc/75/90/99/487759099.db2.gz DNJIXOSNMUTUJI-RYUDHWBXSA-N 1 3 230.352 0.144 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H](N)CC(C)C ZINC000120948194 487762932 /nfs/dbraw/zinc/76/29/32/487762932.db2.gz KMMJWSMEBFSUNK-SECBINFHSA-N 1 3 201.314 0.086 20 0 BCADHO CCC[C@@]1(CO)CCC[N@@H+]1CCCN ZINC000414759077 487822706 /nfs/dbraw/zinc/82/27/06/487822706.db2.gz NPKYPIIRPLQJQY-NSHDSACASA-N 1 3 200.326 0.962 20 0 BCADHO CCC[C@@]1(CO)CCC[N@H+]1CCCN ZINC000414759077 487822714 /nfs/dbraw/zinc/82/27/14/487822714.db2.gz NPKYPIIRPLQJQY-NSHDSACASA-N 1 3 200.326 0.962 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C[C@H]2CNCCO2)CC[N@@H+]1C ZINC000252218296 487823290 /nfs/dbraw/zinc/82/32/90/487823290.db2.gz ZSACQKBDOOEXSQ-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C[C@H]2CNCCO2)CC[N@H+]1C ZINC000252218296 487823297 /nfs/dbraw/zinc/82/32/97/487823297.db2.gz ZSACQKBDOOEXSQ-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CNCCO2)CCN1C ZINC000252218296 487823301 /nfs/dbraw/zinc/82/33/01/487823301.db2.gz ZSACQKBDOOEXSQ-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CNCCO2)CCN1C ZINC000252218296 487823307 /nfs/dbraw/zinc/82/33/07/487823307.db2.gz ZSACQKBDOOEXSQ-FRRDWIJNSA-N 1 3 241.379 0.389 20 0 BCADHO [NH3+]CCCN(CCO)[C@@H]1CCCSC1 ZINC000414768784 487824172 /nfs/dbraw/zinc/82/41/72/487824172.db2.gz VSACAYQNZHAFNM-SNVBAGLBSA-N 1 3 218.366 0.525 20 0 BCADHO Cc1ccc(CNCCCN2CC[NH2+]CC2)cn1 ZINC000414787550 487824119 /nfs/dbraw/zinc/82/41/19/487824119.db2.gz YZULGMAEJSEXGA-UHFFFAOYSA-N 1 3 248.374 0.775 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N(C)C ZINC000252614577 487827679 /nfs/dbraw/zinc/82/76/79/487827679.db2.gz YGPYVFZHTPLTRH-LPEHRKFASA-N 1 3 213.325 0.051 20 0 BCADHO C[N@H+](CCOC(F)F)C1CCNCC1 ZINC000852744278 588698931 /nfs/dbraw/zinc/69/89/31/588698931.db2.gz XFEJEGWGQTXWPE-UHFFFAOYSA-N 1 3 208.252 0.909 20 0 BCADHO C[N@@H+](CCOC(F)F)C1CCNCC1 ZINC000852744278 588698932 /nfs/dbraw/zinc/69/89/32/588698932.db2.gz XFEJEGWGQTXWPE-UHFFFAOYSA-N 1 3 208.252 0.909 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC[C@@H](O)CC(C)(C)O ZINC000872201714 589890891 /nfs/dbraw/zinc/89/08/91/589890891.db2.gz HXKXTPSUUIIIEX-QWRGUYRKSA-N 1 3 232.368 0.438 20 0 BCADHO C[C@@H]1C[N@H+](CCCN2CCOCC2)[C@H](C)CN1 ZINC000062620410 487847222 /nfs/dbraw/zinc/84/72/22/487847222.db2.gz OKKINFVUDNEBPR-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@H](C)CN1 ZINC000062620410 487847227 /nfs/dbraw/zinc/84/72/27/487847227.db2.gz OKKINFVUDNEBPR-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH2+]C1 ZINC000089747950 487851759 /nfs/dbraw/zinc/85/17/59/487851759.db2.gz OIZXCGDLWPIHQK-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H](C)C[NH3+])CCN1 ZINC000309369665 487875643 /nfs/dbraw/zinc/87/56/43/487875643.db2.gz BULCQTKRWQNNBY-NXEZZACHSA-N 1 3 213.325 0.038 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)N1CCCC1 ZINC000564938037 322969602 /nfs/dbraw/zinc/96/96/02/322969602.db2.gz RPEDVJYVUCKBRH-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@H](CN)C(F)(F)F ZINC000655516258 487898223 /nfs/dbraw/zinc/89/82/23/487898223.db2.gz QVSAXWDXUXLMSW-PHDIDXHHSA-N 1 3 227.230 0.120 20 0 BCADHO CCN1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000666946895 487910998 /nfs/dbraw/zinc/91/09/98/487910998.db2.gz SNOLSUJYZSEJHB-JQWIXIFHSA-N 1 3 229.343 0.760 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157711139 487919045 /nfs/dbraw/zinc/91/90/45/487919045.db2.gz GHFKCESTZHXXMK-NXEZZACHSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH2+]C[C@](C)(O)CN(C)CCN1CCCCC1 ZINC000652363732 487933127 /nfs/dbraw/zinc/93/31/27/487933127.db2.gz MLUXBGMLFIWDIH-ZDUSSCGKSA-N 1 3 243.395 0.375 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000569574462 322970774 /nfs/dbraw/zinc/97/07/74/322970774.db2.gz DMFCGNQPADVTIQ-QWRGUYRKSA-N 1 3 239.363 0.775 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449606212 323000699 /nfs/dbraw/zinc/00/06/99/323000699.db2.gz YEIRQCOGTXOHRF-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000562808901 323031085 /nfs/dbraw/zinc/03/10/85/323031085.db2.gz WLNBWYRPWKKGAL-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000322804343 323036711 /nfs/dbraw/zinc/03/67/11/323036711.db2.gz RINFOGGGTRFZTP-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000322804343 323036712 /nfs/dbraw/zinc/03/67/12/323036712.db2.gz RINFOGGGTRFZTP-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO COCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397252281 323038507 /nfs/dbraw/zinc/03/85/07/323038507.db2.gz DAGZRZMUYRSAAU-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397252281 323038508 /nfs/dbraw/zinc/03/85/08/323038508.db2.gz DAGZRZMUYRSAAU-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO COCC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000397252281 323038509 /nfs/dbraw/zinc/03/85/09/323038509.db2.gz DAGZRZMUYRSAAU-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO N[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000569720836 323038602 /nfs/dbraw/zinc/03/86/02/323038602.db2.gz LOIZLHPWOXYDPJ-KOLCDFICSA-N 1 3 225.336 0.230 20 0 BCADHO N[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000569720838 323038664 /nfs/dbraw/zinc/03/86/64/323038664.db2.gz LOIZLHPWOXYDPJ-MWLCHTKSSA-N 1 3 225.336 0.230 20 0 BCADHO CN1CCNC[C@@H]1CN[C@@H]1CCCCC[C@H]1[NH3+] ZINC000570507428 323061372 /nfs/dbraw/zinc/06/13/72/323061372.db2.gz BKVDSSARRSILCM-JHJVBQTASA-N 1 3 240.395 0.140 20 0 BCADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CC[C@H]1[NH3+] ZINC000570568757 323063415 /nfs/dbraw/zinc/06/34/15/323063415.db2.gz ILHAJMJLZRFUDA-FSDSQADBSA-N 1 3 239.241 0.072 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000570570891 323063539 /nfs/dbraw/zinc/06/35/39/323063539.db2.gz JNYBEPOHZVZATO-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CN[C@H](C)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000570738708 323068806 /nfs/dbraw/zinc/06/88/06/323068806.db2.gz KYTMKUSYBVSMBA-NXEZZACHSA-N 1 3 227.352 0.489 20 0 BCADHO CC[NH2+]CCCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000518775788 323081517 /nfs/dbraw/zinc/08/15/17/323081517.db2.gz VRPIJSJJAWHRKQ-RYUDHWBXSA-N 1 3 241.379 0.975 20 0 BCADHO CSCC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000309408443 323082079 /nfs/dbraw/zinc/08/20/79/323082079.db2.gz IEUULKQSKANFNL-RKDXNWHRSA-N 1 3 231.365 0.017 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503507 323089966 /nfs/dbraw/zinc/08/99/66/323089966.db2.gz SRCSQMGRXBSMRJ-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@H](CC(=O)NCCCC[NH3+])Cc1ccccc1 ZINC000563110398 323092862 /nfs/dbraw/zinc/09/28/62/323092862.db2.gz UUNVJQUPNDMCMV-ZDUSSCGKSA-N 1 3 249.358 0.802 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567925300 323101447 /nfs/dbraw/zinc/10/14/47/323101447.db2.gz ITMDTTRVCJPGQB-CIUDSAMLSA-N 1 3 233.381 0.309 20 0 BCADHO CCS(=O)(=O)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000563424350 323124042 /nfs/dbraw/zinc/12/40/42/323124042.db2.gz LRGMJKBGQHEWBL-MNOVXSKESA-N 1 3 248.392 0.671 20 0 BCADHO CCS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000563424350 323124043 /nfs/dbraw/zinc/12/40/43/323124043.db2.gz LRGMJKBGQHEWBL-MNOVXSKESA-N 1 3 248.392 0.671 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)CC[NH2+]C1CC1 ZINC000563410929 323124549 /nfs/dbraw/zinc/12/45/49/323124549.db2.gz RMKADEINSGGXKF-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+]CCCC(=O)N(CCN(C)C)C1CC1 ZINC000563535022 323129419 /nfs/dbraw/zinc/12/94/19/323129419.db2.gz WSRFPVWNCOWBCA-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CC[NH2+]CCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000563583052 323130487 /nfs/dbraw/zinc/13/04/87/323130487.db2.gz HUNUDUXHBZOYGV-CYBMUJFWSA-N 1 3 249.358 0.672 20 0 BCADHO C[C@@]1(C(=O)N[C@@H]2CNCCC2(F)F)CCC[NH2+]1 ZINC000563588300 323130688 /nfs/dbraw/zinc/13/06/88/323130688.db2.gz AATZYBZCDSLIRK-SCZZXKLOSA-N 1 3 247.289 0.242 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000563623553 323132199 /nfs/dbraw/zinc/13/21/99/323132199.db2.gz LCQIKESMZZJJOL-IVZWLZJFSA-N 1 3 213.325 0.167 20 0 BCADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000563629834 323132608 /nfs/dbraw/zinc/13/26/08/323132608.db2.gz HFIDQKMFGMKDSJ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000563629834 323132609 /nfs/dbraw/zinc/13/26/09/323132609.db2.gz HFIDQKMFGMKDSJ-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO N[C@@H]1C[C@H]2C[N@H+](CC3CCCC3)CCN2C1=O ZINC000563635885 323132720 /nfs/dbraw/zinc/13/27/20/323132720.db2.gz MCLLDIDUOPKOKU-NWDGAFQWSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@@H]1C[C@H]2C[N@@H+](CC3CCCC3)CCN2C1=O ZINC000563635885 323132721 /nfs/dbraw/zinc/13/27/21/323132721.db2.gz MCLLDIDUOPKOKU-NWDGAFQWSA-N 1 3 237.347 0.420 20 0 BCADHO CC[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000571082969 323135111 /nfs/dbraw/zinc/13/51/11/323135111.db2.gz YVXYWIKMMZUXQV-NSHDSACASA-N 1 3 237.303 0.700 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H](C)CCC[NH3+] ZINC000571083167 323135201 /nfs/dbraw/zinc/13/52/01/323135201.db2.gz GIFYVFBOUSSVAS-MWLCHTKSSA-N 1 3 215.341 0.748 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000571560554 323147948 /nfs/dbraw/zinc/14/79/48/323147948.db2.gz NWIARLIWAIJXQA-HTQZYQBOSA-N 1 3 235.278 0.179 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000571558228 323148001 /nfs/dbraw/zinc/14/80/01/323148001.db2.gz RKDGBEGXBXQOMA-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H](C)NC1CC1 ZINC000394885578 323152620 /nfs/dbraw/zinc/15/26/20/323152620.db2.gz PPJLKSIMKGTZOX-LLVKDONJSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000040921793 323158356 /nfs/dbraw/zinc/15/83/56/323158356.db2.gz JHOFEGXERBREBJ-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000040921793 323158357 /nfs/dbraw/zinc/15/83/57/323158357.db2.gz JHOFEGXERBREBJ-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559616 323162436 /nfs/dbraw/zinc/16/24/36/323162436.db2.gz IBSKSKJEBVLHKB-MXWKQRLJSA-N 1 3 229.368 0.816 20 0 BCADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N ZINC000050457654 323170867 /nfs/dbraw/zinc/17/08/67/323170867.db2.gz BCPYNRJLQYRYNX-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000563712762 323175025 /nfs/dbraw/zinc/17/50/25/323175025.db2.gz KEBSYUXPBKEIFC-DCAQKATOSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@H]2COCCN2)CC1 ZINC000530182711 323205828 /nfs/dbraw/zinc/20/58/28/323205828.db2.gz YHFPPHBBNVKZHG-ZDUSSCGKSA-N 1 3 241.379 0.437 20 0 BCADHO CC(C)N1CCC([NH2+]C[C@H]2COCCN2)CC1 ZINC000530182711 323205829 /nfs/dbraw/zinc/20/58/29/323205829.db2.gz YHFPPHBBNVKZHG-ZDUSSCGKSA-N 1 3 241.379 0.437 20 0 BCADHO CC(C)(C)[C@H](O)CNC[C@@H]1CCC[NH2+]C1 ZINC000324590350 323241972 /nfs/dbraw/zinc/24/19/72/323241972.db2.gz DMLXGWLJXOTPEJ-GHMZBOCLSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCNC1 ZINC000324590350 323241975 /nfs/dbraw/zinc/24/19/75/323241975.db2.gz DMLXGWLJXOTPEJ-GHMZBOCLSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309258612 323332946 /nfs/dbraw/zinc/33/29/46/323332946.db2.gz HFMBSBZRWGMXDJ-ZJUUUORDSA-N 1 3 213.325 0.086 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CNC3CC3)C[C@@H]21 ZINC000571873580 323491230 /nfs/dbraw/zinc/49/12/30/323491230.db2.gz UVQLPCOOCOBHIO-ADEWGFFLSA-N 1 3 237.347 0.324 20 0 BCADHO CSCC[C@H](CO)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571938888 323510466 /nfs/dbraw/zinc/51/04/66/323510466.db2.gz IRPATMCVXBDBGX-OUAUKWLOSA-N 1 3 232.393 0.960 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679555 487959057 /nfs/dbraw/zinc/95/90/57/487959057.db2.gz VNEFIDJBSSLNBM-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO COCCOCCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397338435 324213319 /nfs/dbraw/zinc/21/33/19/324213319.db2.gz ZEDIGUHTEZIZBC-UPJWGTAASA-N 1 3 244.379 0.955 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)NCC[NH+](C)C ZINC000131249505 325130004 /nfs/dbraw/zinc/13/00/04/325130004.db2.gz LGJNGUWSLXCDPW-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000131669123 325176377 /nfs/dbraw/zinc/17/63/77/325176377.db2.gz NIKCJPQFAQLWLJ-RYUDHWBXSA-N 1 3 233.315 0.035 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000564327713 325382948 /nfs/dbraw/zinc/38/29/48/325382948.db2.gz AMNSGPKHYBJIMQ-UWVGGRQHSA-N 1 3 247.408 0.701 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)COC2CNC2)cc1 ZINC000564327880 325383379 /nfs/dbraw/zinc/38/33/79/325383379.db2.gz DJNLKHXIOQWBNL-UHFFFAOYSA-N 1 3 235.287 0.072 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000250880204 325670497 /nfs/dbraw/zinc/67/04/97/325670497.db2.gz VGZMZDLTBJJDMM-SDDRHHMPSA-N 1 3 237.347 0.420 20 0 BCADHO CC[NH2+]CCCN[C@H](C)C(C)(C)n1cncn1 ZINC000564822864 325812416 /nfs/dbraw/zinc/81/24/16/325812416.db2.gz SMIQPAACAZRNEY-LLVKDONJSA-N 1 3 239.367 0.991 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@H](CO)CC(F)F)C1 ZINC000566020382 325985972 /nfs/dbraw/zinc/98/59/72/325985972.db2.gz NULNLSPMAMYXNB-VGMNWLOBSA-N 1 3 222.279 0.862 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000566208157 326013808 /nfs/dbraw/zinc/01/38/08/326013808.db2.gz JACJKDWJDIIJDG-LYFYHCNISA-N 1 3 239.241 0.072 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000566208159 326013848 /nfs/dbraw/zinc/01/38/48/326013848.db2.gz JACJKDWJDIIJDG-XVMARJQXSA-N 1 3 239.241 0.072 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1(N)CCCCC1 ZINC000566258532 326020547 /nfs/dbraw/zinc/02/05/47/326020547.db2.gz WGUHGVSYDBTTJQ-VHSXEESVSA-N 1 3 227.352 0.890 20 0 BCADHO C[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000566249299 326024065 /nfs/dbraw/zinc/02/40/65/326024065.db2.gz RDEUHLZIBKJSDE-APPZFPTMSA-N 1 3 234.303 0.183 20 0 BCADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H](C)[NH2+]C ZINC000566571828 326065414 /nfs/dbraw/zinc/06/54/14/326065414.db2.gz JZDMNQSSRXMXKI-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CC(C)[NH+](CCCNC(=O)[C@@H]1C[C@@H]1N)C(C)C ZINC000566852788 326087602 /nfs/dbraw/zinc/08/76/02/326087602.db2.gz ADTIYMQEGZSHBR-NEPJUHHUSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)N(C)CCN(C)C ZINC000566962777 326097479 /nfs/dbraw/zinc/09/74/79/326097479.db2.gz DRZLVSQSLIPAOX-UHFFFAOYSA-N 1 3 244.383 0.578 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000567275378 326154331 /nfs/dbraw/zinc/15/43/31/326154331.db2.gz IACLIRCRGPZJJG-TUAOUCFPSA-N 1 3 237.347 0.420 20 0 BCADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000567354090 326172494 /nfs/dbraw/zinc/17/24/94/326172494.db2.gz XAQWVDNWXXWZMI-WISYIIOYSA-N 1 3 239.363 0.522 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000567383455 326180280 /nfs/dbraw/zinc/18/02/80/326180280.db2.gz AGXPSBIKCDBZMN-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO Cn1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000310586596 326196081 /nfs/dbraw/zinc/19/60/81/326196081.db2.gz WBPOXRKUORDNJH-PHIMTYICSA-N 1 3 235.335 0.247 20 0 BCADHO CC[NH2+]CCCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000567572700 326219965 /nfs/dbraw/zinc/21/99/65/326219965.db2.gz URTWSLFZBHXYQZ-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO C[C@@H]([NH3+])CN1CCNC[C@@H]1c1cccnc1 ZINC000567614052 326229471 /nfs/dbraw/zinc/22/94/71/326229471.db2.gz ZYRLVAUCUYMREA-ZYHUDNBSSA-N 1 3 220.320 0.375 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000567811709 326261445 /nfs/dbraw/zinc/26/14/45/326261445.db2.gz AZPLPOHBHYXZFP-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CN(C)C(=O)CCN[C@@](C)(C[NH3+])C1CC1 ZINC000567897489 326278823 /nfs/dbraw/zinc/27/88/23/326278823.db2.gz VRGIAKFPMBVUDI-NSHDSACASA-N 1 3 213.325 0.182 20 0 BCADHO CN(C)C(=O)CCN[C@](C)(C[NH3+])C1CC1 ZINC000567897488 326279001 /nfs/dbraw/zinc/27/90/01/326279001.db2.gz VRGIAKFPMBVUDI-LLVKDONJSA-N 1 3 213.325 0.182 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000567907876 326281426 /nfs/dbraw/zinc/28/14/26/326281426.db2.gz DGGWBGBMYRMYQO-IUCAKERBSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CCCC[NH3+])CCN1C ZINC000157876224 326298711 /nfs/dbraw/zinc/29/87/11/326298711.db2.gz MLPBAVRJPGXXPH-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH+](C)C)C1 ZINC000568208103 326326208 /nfs/dbraw/zinc/32/62/08/326326208.db2.gz VAIYECHIVKYXLW-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000158531597 326327171 /nfs/dbraw/zinc/32/71/71/326327171.db2.gz XLJGAGCAHJFARF-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C[C@@H](N)c1ccccc1 ZINC000568509337 326361124 /nfs/dbraw/zinc/36/11/24/326361124.db2.gz LUSBHHXBDUKMBD-MWLCHTKSSA-N 1 3 221.304 0.540 20 0 BCADHO CC(=O)N1CC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000568651016 326370933 /nfs/dbraw/zinc/37/09/33/326370933.db2.gz GAKOZCLFBHLHEN-UTUOFQBUSA-N 1 3 225.336 0.467 20 0 BCADHO CNCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000568864835 326379984 /nfs/dbraw/zinc/37/99/84/326379984.db2.gz RGLIONQFJOTISS-LBPRGKRZSA-N 1 3 235.331 0.802 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000568984811 326384698 /nfs/dbraw/zinc/38/46/98/326384698.db2.gz QYNOYNFNJOKJHO-NKWVEPMBSA-N 1 3 241.257 0.510 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000569001056 326385992 /nfs/dbraw/zinc/38/59/92/326385992.db2.gz RQEHUIFGXMSLJP-NSHDSACASA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H](NC(=O)CNC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000569095024 326389650 /nfs/dbraw/zinc/38/96/50/326389650.db2.gz BSKJMHLWVJIFAH-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCN1C ZINC000569105955 326390419 /nfs/dbraw/zinc/39/04/19/326390419.db2.gz DFWHCWPBYBRLAT-CHWFTXMASA-N 1 3 225.336 0.323 20 0 BCADHO CSC[C@@H](O)C[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000569232714 326396415 /nfs/dbraw/zinc/39/64/15/326396415.db2.gz JSEZPZQBVPSFFV-JQWIXIFHSA-N 1 3 244.404 0.950 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000572984549 326423016 /nfs/dbraw/zinc/42/30/16/326423016.db2.gz HIAQVMNECUREGN-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446402790 487980149 /nfs/dbraw/zinc/98/01/49/487980149.db2.gz NGVPZNSMJYFIFJ-LPEHRKFASA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000446409067 487980814 /nfs/dbraw/zinc/98/08/14/487980814.db2.gz QZUDPOONIFWNIC-AXFHLTTASA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000446409068 487981209 /nfs/dbraw/zinc/98/12/09/487981209.db2.gz QZUDPOONIFWNIC-DCAQKATOSA-N 1 3 227.352 0.746 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418202273 487982646 /nfs/dbraw/zinc/98/26/46/487982646.db2.gz IUKVZHZPACLANT-GARJFASQSA-N 1 3 242.367 0.506 20 0 BCADHO CN1CCC[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000134537039 487988028 /nfs/dbraw/zinc/98/80/28/487988028.db2.gz GEOQCBJKXFMHQQ-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217008 488037315 /nfs/dbraw/zinc/03/73/15/488037315.db2.gz YBKRNRHRLUBTFB-VWYCJHECSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]C[C@H]1CCCC[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000084217008 488037319 /nfs/dbraw/zinc/03/73/19/488037319.db2.gz YBKRNRHRLUBTFB-VWYCJHECSA-N 1 3 225.336 0.372 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000655449199 488037916 /nfs/dbraw/zinc/03/79/16/488037916.db2.gz OYDRUFWMEJCQCV-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000091395025 488048972 /nfs/dbraw/zinc/04/89/72/488048972.db2.gz DCNPULKGRILJTK-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000091395012 488049174 /nfs/dbraw/zinc/04/91/74/488049174.db2.gz GDVSWGRFPSCHLH-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)C(F)F)C1 ZINC000236304342 488056965 /nfs/dbraw/zinc/05/69/65/488056965.db2.gz KCYBVTJIHAVQGW-BWZBUEFSSA-N 1 3 208.252 0.472 20 0 BCADHO CC1(C)C[C@H](N2C[C@H]3C[NH2+]C[C@@H]3C2)CO1 ZINC000396892483 488057405 /nfs/dbraw/zinc/05/74/05/488057405.db2.gz QXSNIULZLOPVJB-MXWKQRLJSA-N 1 3 210.321 0.705 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CCC[NH2+]C)C1 ZINC000389138401 488078768 /nfs/dbraw/zinc/07/87/68/488078768.db2.gz GMDGKFLGXDIRHB-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)C(C)(C)C[NH3+])C1 ZINC000389138954 488079568 /nfs/dbraw/zinc/07/95/68/488079568.db2.gz GNLACGJSRWLMAL-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C1 ZINC000389167112 488079783 /nfs/dbraw/zinc/07/97/83/488079783.db2.gz MVAYYJVBIVHZSE-DCAQKATOSA-N 1 3 227.352 0.570 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[NH2+]C(C)C)C1 ZINC000389173066 488079888 /nfs/dbraw/zinc/07/98/88/488079888.db2.gz OJCZUOAPNMEMDM-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC)C1 ZINC000389195346 488080977 /nfs/dbraw/zinc/08/09/77/488080977.db2.gz WZSUXHSHJBFXHA-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC)C1 ZINC000389195346 488080983 /nfs/dbraw/zinc/08/09/83/488080983.db2.gz WZSUXHSHJBFXHA-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CO[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[C@@H]1C ZINC000230311903 488083661 /nfs/dbraw/zinc/08/36/61/488083661.db2.gz DTNMGZYMBZRQCI-QJPTWQEYSA-N 1 3 212.337 0.953 20 0 BCADHO CN1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000257838881 488089020 /nfs/dbraw/zinc/08/90/20/488089020.db2.gz BAWFKLNSKRQBRI-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000389381275 488093778 /nfs/dbraw/zinc/09/37/78/488093778.db2.gz MXLRDVYYPUVTHL-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000389647346 488104585 /nfs/dbraw/zinc/10/45/85/488104585.db2.gz NAFPFLJLLPMJEW-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000389692484 488105848 /nfs/dbraw/zinc/10/58/48/488105848.db2.gz AVIMBLONNBWYAJ-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO NC(C(=O)NC[C@H]1CCCC[NH2+]1)C(F)(F)F ZINC000669509572 488109975 /nfs/dbraw/zinc/10/99/75/488109975.db2.gz CDBSSZDOEIVXTA-RQJHMYQMSA-N 1 3 239.241 0.134 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)CNC1CC1 ZINC000669512590 488118988 /nfs/dbraw/zinc/11/89/88/488118988.db2.gz HHKQCABHAXHTLW-LLVKDONJSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CNCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000669512373 488118836 /nfs/dbraw/zinc/11/88/36/488118836.db2.gz KNVQTKUDHFAXLR-NSHDSACASA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CN(C(=O)CC2([NH3+])CCC2)[C@H](C)CN1 ZINC000669513556 488121702 /nfs/dbraw/zinc/12/17/02/488121702.db2.gz JDIHFHLQHXPHIZ-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]2)CCN1 ZINC000669514931 488124130 /nfs/dbraw/zinc/12/41/30/488124130.db2.gz TYKYPDJVCNANCE-NWDGAFQWSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C2([NH3+])CCC2)CCN1 ZINC000669514737 488124667 /nfs/dbraw/zinc/12/46/67/488124667.db2.gz DIMWDQYBYKQZMZ-SNVBAGLBSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC2([NH3+])CCC2)CCN1 ZINC000669514972 488125152 /nfs/dbraw/zinc/12/51/52/488125152.db2.gz YEBXXOWPVBEQLJ-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)CC(C)C)CC[C@@H]1[NH3+] ZINC000669516049 488125967 /nfs/dbraw/zinc/12/59/67/488125967.db2.gz PQWOCJKUDJZEPT-GRYCIOLGSA-N 1 3 241.379 0.946 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669515873 488126025 /nfs/dbraw/zinc/12/60/25/488126025.db2.gz HWLGOJFLKYKOFL-TUAOUCFPSA-N 1 3 237.347 0.339 20 0 BCADHO CN1CCC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000258652577 488126370 /nfs/dbraw/zinc/12/63/70/488126370.db2.gz SHPXGBQOGZDBHI-MNOVXSKESA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)[NH3+])[C@@H](N)c1ccccc1 ZINC000669517030 488127489 /nfs/dbraw/zinc/12/74/89/488127489.db2.gz SHWFKCPBHYDZIM-HOSYDEDBSA-N 1 3 235.331 0.786 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000669517866 488128716 /nfs/dbraw/zinc/12/87/16/488128716.db2.gz JPSOKVUTWIHEKT-ZJUUUORDSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000399692545 487542892 /nfs/dbraw/zinc/54/28/92/487542892.db2.gz YMKBNQUSGLNPRO-SRVKXCTJSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@@H](CO)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000121223242 490079562 /nfs/dbraw/zinc/07/95/62/490079562.db2.gz SXPAQFVATODHLQ-GFCCVEGCSA-N 1 3 235.331 0.832 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000382109818 487531798 /nfs/dbraw/zinc/53/17/98/487531798.db2.gz JTTICXYMTBGYGD-KXUCPTDWSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCN1CCCC1 ZINC000086270986 487494073 /nfs/dbraw/zinc/49/40/73/487494073.db2.gz LIJDGOCQJVOQLJ-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN1CCCC1 ZINC000086270989 487494325 /nfs/dbraw/zinc/49/43/25/487494325.db2.gz LIJDGOCQJVOQLJ-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000161608216 487506387 /nfs/dbraw/zinc/50/63/87/487506387.db2.gz ODTYGLIAGVGRCG-AXFHLTTASA-N 1 3 225.336 0.515 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334341311 487501932 /nfs/dbraw/zinc/50/19/32/487501932.db2.gz IXYAIAJZNQOBPT-JQWIXIFHSA-N 1 3 225.336 0.326 20 0 BCADHO [NH3+]CCN(Cc1ccccc1)C[C@H]1CNCCO1 ZINC000662266698 487503633 /nfs/dbraw/zinc/50/36/33/487503633.db2.gz OBHDCZVQMXVOFV-CQSZACIVSA-N 1 3 249.358 0.436 20 0 BCADHO COC[C@H](CN1CC[C@@H]([NH3+])[C@H](C)C1)OC ZINC000300375192 487511732 /nfs/dbraw/zinc/51/17/32/487511732.db2.gz PHBZDRPOYORTHL-OUAUKWLOSA-N 1 3 216.325 0.317 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000381493707 487509156 /nfs/dbraw/zinc/50/91/56/487509156.db2.gz ZIJONGBQZACQHC-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO COC[C@H](CN1CC[C@H]([NH3+])C[C@H]1C)OC ZINC000300366937 487510831 /nfs/dbraw/zinc/51/08/31/487510831.db2.gz HNJBGWCCWDETKE-VWYCJHECSA-N 1 3 216.325 0.459 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)C(C)(C)C ZINC000151798507 487519684 /nfs/dbraw/zinc/51/96/84/487519684.db2.gz NAGBNPUFWIULAQ-SNVBAGLBSA-N 1 3 229.368 0.864 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000669318256 487520288 /nfs/dbraw/zinc/52/02/88/487520288.db2.gz KLTDLBRHNICBOZ-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO CCN1CC[C@@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000662273670 487521979 /nfs/dbraw/zinc/52/19/79/487521979.db2.gz XRBRCSCJBAGQJD-NWDGAFQWSA-N 1 3 239.363 0.668 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000094293472 487523981 /nfs/dbraw/zinc/52/39/81/487523981.db2.gz HVUUZCLZIJYVKK-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](CCCO)C1CC1 ZINC000379897640 488156152 /nfs/dbraw/zinc/15/61/52/488156152.db2.gz HQNOGNSWGKXSTG-CYBMUJFWSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](CCCO)C1CC1 ZINC000379897640 488156159 /nfs/dbraw/zinc/15/61/59/488156159.db2.gz HQNOGNSWGKXSTG-CYBMUJFWSA-N 1 3 244.379 0.534 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@H+](C)C1CC1 ZINC000226398328 487615430 /nfs/dbraw/zinc/61/54/30/487615430.db2.gz COLNJCLAWFCYDN-MRVPVSSYSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](CNC(=O)C1(N)CC1)[N@@H+](C)C1CC1 ZINC000226398328 487615440 /nfs/dbraw/zinc/61/54/40/487615440.db2.gz COLNJCLAWFCYDN-MRVPVSSYSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](NC(=O)C[C@@H](N)Cc1ccccc1)[C@H](C)[NH3+] ZINC000669520118 488135768 /nfs/dbraw/zinc/13/57/68/488135768.db2.gz AISNLVGQVNNBJI-LOWVWBTDSA-N 1 3 249.358 0.798 20 0 BCADHO C([C@H]1CNCCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000222899727 488137085 /nfs/dbraw/zinc/13/70/85/488137085.db2.gz FNKCZKJFFWPQGX-CHWSQXEVSA-N 1 3 239.363 0.145 20 0 BCADHO O[C@H](CNC[C@H]1CC[C@@H](O)C1)C[NH+]1CCCC1 ZINC000227689534 488138655 /nfs/dbraw/zinc/13/86/55/488138655.db2.gz DMRLJKQTDKEFHC-YNEHKIRRSA-N 1 3 242.363 0.194 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000669520216 488138723 /nfs/dbraw/zinc/13/87/23/488138723.db2.gz AUQAXONOMOSCND-LBPRGKRZSA-N 1 3 247.342 0.336 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085373387 488164500 /nfs/dbraw/zinc/16/45/00/488164500.db2.gz CFZTTYGYFIXFQB-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369718 488164869 /nfs/dbraw/zinc/16/48/69/488164869.db2.gz AQEXNQFPQASJHP-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H](C)CO)C1 ZINC000678043380 488178943 /nfs/dbraw/zinc/17/89/43/488178943.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 1 3 214.353 0.888 20 0 BCADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H](C)CO)C1 ZINC000678043380 488178947 /nfs/dbraw/zinc/17/89/47/488178947.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](C)CO)C1 ZINC000678043380 488178949 /nfs/dbraw/zinc/17/89/49/488178949.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 1 3 214.353 0.888 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](C)CO)C1 ZINC000678043380 488178952 /nfs/dbraw/zinc/17/89/52/488178952.db2.gz BPNXUTKZGRIRGC-RYUDHWBXSA-N 1 3 214.353 0.888 20 0 BCADHO CN1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000037478283 488185535 /nfs/dbraw/zinc/18/55/35/488185535.db2.gz NRWSVSDDWWVIGP-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](C)NC)CC[C@H]1[NH3+] ZINC000655457425 488198508 /nfs/dbraw/zinc/19/85/08/488198508.db2.gz AIBXZHDFDIFGKO-IVZWLZJFSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)CC1([NH3+])CC1 ZINC000398152968 488212823 /nfs/dbraw/zinc/21/28/23/488212823.db2.gz SSIFTUMSTMIPQA-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000673660828 488301420 /nfs/dbraw/zinc/30/14/20/488301420.db2.gz DWQFGDLXTGKQKB-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](CO)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000120980627 490072814 /nfs/dbraw/zinc/07/28/14/490072814.db2.gz FIAIDEIXKLORQM-GFCCVEGCSA-N 1 3 244.379 0.393 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652192089 490167720 /nfs/dbraw/zinc/16/77/20/490167720.db2.gz POJYMENULFHIDF-JTQLQIEISA-N 1 3 242.367 0.365 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)C1CCN(C)CC1 ZINC000662967294 490246564 /nfs/dbraw/zinc/24/65/64/490246564.db2.gz ZHVPOULPYPFIMZ-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CCN1C ZINC000132940087 490276291 /nfs/dbraw/zinc/27/62/91/490276291.db2.gz ZSVOJCIHJKFJLB-UWVGGRQHSA-N 1 3 227.352 0.713 20 0 BCADHO CNCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638803511 490337058 /nfs/dbraw/zinc/33/70/58/490337058.db2.gz LFFUOQJEJBHHRN-UHFFFAOYSA-N 1 3 235.287 0.090 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232637 490393777 /nfs/dbraw/zinc/39/37/77/490393777.db2.gz GLRSQOVRLCPKJW-OPRDCNLKSA-N 1 3 213.325 0.310 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000130598636 490407768 /nfs/dbraw/zinc/40/77/68/490407768.db2.gz PCHQSEPSSLRMNW-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO [NH3+]CCNC(=O)c1cccc2c1CCNC2 ZINC000124214587 490491322 /nfs/dbraw/zinc/49/13/22/490491322.db2.gz NBKLIHCJDVTZQP-UHFFFAOYSA-N 1 3 219.288 0.021 20 0 BCADHO CN(C)C/C=C\C(=O)NCC(C)(C)C[NH+](C)C ZINC000491850080 491080873 /nfs/dbraw/zinc/08/08/73/491080873.db2.gz PQYVZNVOHBUDCC-FPLPWBNLSA-N 1 3 241.379 0.808 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)Cc1ccccc1 ZINC000662605018 491107103 /nfs/dbraw/zinc/10/71/03/491107103.db2.gz JPLGNTGMFADKGF-GFCCVEGCSA-N 1 3 249.358 0.752 20 0 BCADHO [NH3+]CC1(CCNC(=O)[C@H]2CCCCN2)CC1 ZINC000653215790 491128443 /nfs/dbraw/zinc/12/84/43/491128443.db2.gz AZFNEQUZEYIPQT-SNVBAGLBSA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000494703047 533842298 /nfs/dbraw/zinc/84/22/98/533842298.db2.gz MPEMFELXFQQALF-GHMZBOCLSA-N 1 3 227.352 0.762 20 0 BCADHO CN1CCC(C[N@@H+]2CCCN(C)CC2)CC1 ZINC000891394839 582676796 /nfs/dbraw/zinc/67/67/96/582676796.db2.gz ZTOAGFNSXRORMO-UHFFFAOYSA-N 1 3 225.380 0.966 20 0 BCADHO CN1CCC(C[N@H+]2CCCN(C)CC2)CC1 ZINC000891394839 582676798 /nfs/dbraw/zinc/67/67/98/582676798.db2.gz ZTOAGFNSXRORMO-UHFFFAOYSA-N 1 3 225.380 0.966 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217809922 535678164 /nfs/dbraw/zinc/67/81/64/535678164.db2.gz BOLWRWIITSUELP-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217809922 535678169 /nfs/dbraw/zinc/67/81/69/535678169.db2.gz BOLWRWIITSUELP-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC[C@H]2CCC[NH2+]2)[C@H]1C ZINC000494660665 534125693 /nfs/dbraw/zinc/12/56/93/534125693.db2.gz GGZQTZVBUQHMRD-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)NC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004177 582821858 /nfs/dbraw/zinc/82/18/58/582821858.db2.gz DNPLQPUJGSVXDZ-SNVBAGLBSA-N 1 3 212.341 0.851 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000258416240 536373148 /nfs/dbraw/zinc/37/31/48/536373148.db2.gz IZQHUBGGEJFXMT-GHMZBOCLSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C2CC2)CCN1C ZINC000137448506 582873011 /nfs/dbraw/zinc/87/30/11/582873011.db2.gz KKQPPIOPTIUYRQ-JLLWLGSASA-N 1 3 239.363 0.713 20 0 BCADHO O=C1OC[C@@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC000497098683 534817857 /nfs/dbraw/zinc/81/78/57/534817857.db2.gz LVPWBFYQILJNSM-NSHDSACASA-N 1 3 239.319 0.122 20 0 BCADHO CCN1CC[C@@H](NC(=O)/C=C\C[NH+](C)C)C1 ZINC000493062130 527759735 /nfs/dbraw/zinc/75/97/35/527759735.db2.gz ZKWIPNPDBRIZDV-ISALQUGTSA-N 1 3 225.336 0.315 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000494681296 528495007 /nfs/dbraw/zinc/49/50/07/528495007.db2.gz KLFUMUDNVRYOQQ-QJPTWQEYSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000494681296 528495011 /nfs/dbraw/zinc/49/50/11/528495011.db2.gz KLFUMUDNVRYOQQ-QJPTWQEYSA-N 1 3 241.379 0.911 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000494653031 528814115 /nfs/dbraw/zinc/81/41/15/528814115.db2.gz JZBDKNAAQBQKMK-LLVKDONJSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000495167623 529213747 /nfs/dbraw/zinc/21/37/47/529213747.db2.gz MWSUXVFTWSHXQA-GARJFASQSA-N 1 3 229.368 0.994 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)N1CCCNCC1 ZINC000168049327 534930426 /nfs/dbraw/zinc/93/04/26/534930426.db2.gz ZQUXIJNQULSACX-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO CCCNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000252667279 535004773 /nfs/dbraw/zinc/00/47/73/535004773.db2.gz IANYMEOCBPTUNO-WDEREUQCSA-N 1 3 240.351 0.374 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000178407668 535048977 /nfs/dbraw/zinc/04/89/77/535048977.db2.gz RKRCBMRXAWPVBS-ONGXEEELSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)N)C1 ZINC000168721510 535137792 /nfs/dbraw/zinc/13/77/92/535137792.db2.gz CLLDMTVQIPSRJG-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C)N)C1 ZINC000168721510 535137794 /nfs/dbraw/zinc/13/77/94/535137794.db2.gz CLLDMTVQIPSRJG-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC1(CNC[C@H](O)C[NH+]2CCCC2)COC1 ZINC000087197493 535151618 /nfs/dbraw/zinc/15/16/18/535151618.db2.gz PLYWJOZUYRLRPF-NSHDSACASA-N 1 3 228.336 0.069 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261581735 535207780 /nfs/dbraw/zinc/20/77/80/535207780.db2.gz NVMXCCLTTKETMI-KXUCPTDWSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCn1cccn1 ZINC000261537111 535308440 /nfs/dbraw/zinc/30/84/40/535308440.db2.gz UWZQYNVTWFMPNL-LLVKDONJSA-N 1 3 210.325 0.846 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647719 535316444 /nfs/dbraw/zinc/31/64/44/535316444.db2.gz UBVWVKCQWUTREC-WOPDTQHZSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CN(C(=O)C[C@H]2CCC[NH2+]2)CCN1 ZINC000335627916 535335213 /nfs/dbraw/zinc/33/52/13/535335213.db2.gz VXBAZIVIAVBQQU-SNVBAGLBSA-N 1 3 225.336 0.339 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351826833 535491195 /nfs/dbraw/zinc/49/11/95/535491195.db2.gz JTZMQSOXTLGJMM-MNOVXSKESA-N 1 3 227.352 0.524 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000178967561 535491392 /nfs/dbraw/zinc/49/13/92/535491392.db2.gz WDHDERUNJHLYJP-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000178967573 535492527 /nfs/dbraw/zinc/49/25/27/535492527.db2.gz WDHDERUNJHLYJP-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335380576 535495071 /nfs/dbraw/zinc/49/50/71/535495071.db2.gz NKWFGZQEJBCDBM-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C1(N)CCCCC1 ZINC000262464830 535510950 /nfs/dbraw/zinc/51/09/50/535510950.db2.gz NJZHYBRECZZXRL-SNVBAGLBSA-N 1 3 227.352 0.762 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)CN(CC)CC ZINC000262455569 535512785 /nfs/dbraw/zinc/51/27/85/535512785.db2.gz KXTLACCFDQCLCB-SNVBAGLBSA-N 1 3 215.341 0.442 20 0 BCADHO CCN1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000335305552 535514456 /nfs/dbraw/zinc/51/44/56/535514456.db2.gz QMOXPOXRGSEDRX-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO CC[NH+](CC)[C@@H](CNC(=O)CN)CC(C)C ZINC000164410159 535653873 /nfs/dbraw/zinc/65/38/73/535653873.db2.gz RIQSNMYMNSCQJS-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261579555 535953472 /nfs/dbraw/zinc/95/34/72/535953472.db2.gz MHNNQBSOKFTUEP-SFGNSQDASA-N 1 3 213.325 0.213 20 0 BCADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000336041362 535957915 /nfs/dbraw/zinc/95/79/15/535957915.db2.gz KVUNHELKXSTBSP-NEPJUHHUSA-N 1 3 239.363 0.633 20 0 BCADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000336041365 535959308 /nfs/dbraw/zinc/95/93/08/535959308.db2.gz KVUNHELKXSTBSP-VXGBXAGGSA-N 1 3 239.363 0.633 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000261695198 536344593 /nfs/dbraw/zinc/34/45/93/536344593.db2.gz BSOYQCOTAYUEIJ-CMPLNLGQSA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000178867113 536462863 /nfs/dbraw/zinc/46/28/63/536462863.db2.gz GXZMZFMCLFEAIP-AXFHLTTASA-N 1 3 239.363 0.583 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C ZINC000086068851 536461267 /nfs/dbraw/zinc/46/12/67/536461267.db2.gz PSPWIKJLYQBVMW-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@H]([NH3+])C[C@H]1C)N(C)C ZINC000891940410 582741678 /nfs/dbraw/zinc/74/16/78/582741678.db2.gz QORJWUSOEVMLFO-KXUCPTDWSA-N 1 3 228.340 0.068 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N1CCNCCC12CCC2 ZINC000892104063 582791721 /nfs/dbraw/zinc/79/17/21/582791721.db2.gz VJQFGBGRMMTOOS-SNVBAGLBSA-N 1 3 240.351 0.261 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000137394901 582872978 /nfs/dbraw/zinc/87/29/78/582872978.db2.gz SPHAXXOYXMQVCQ-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]1C[C@H](Nc2ccncc2CO)CC[N@@H+]1C ZINC000892673850 582948507 /nfs/dbraw/zinc/94/85/07/582948507.db2.gz OZRBUSACYUMDJV-ZYHUDNBSSA-N 1 3 235.331 0.890 20 0 BCADHO C[C@@H]1C[C@H](Nc2ccncc2CO)CC[N@H+]1C ZINC000892673850 582948510 /nfs/dbraw/zinc/94/85/10/582948510.db2.gz OZRBUSACYUMDJV-ZYHUDNBSSA-N 1 3 235.331 0.890 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000857106863 588888143 /nfs/dbraw/zinc/88/81/43/588888143.db2.gz CLUKLRZCRAIABQ-IVZWLZJFSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)N(C)CCN(C)C1CC1 ZINC000857108097 588888536 /nfs/dbraw/zinc/88/85/36/588888536.db2.gz BVRYHYZQKBHKFZ-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CCNCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000841848978 583364729 /nfs/dbraw/zinc/36/47/29/583364729.db2.gz YWAVBXWGQBDWLR-NSHDSACASA-N 1 3 227.352 0.620 20 0 BCADHO CCOC(=O)N1CCC([NH2+]CC[C@H](C)N)CC1 ZINC000857253633 588901342 /nfs/dbraw/zinc/90/13/42/588901342.db2.gz PVCCBKNDAOWFTJ-JTQLQIEISA-N 1 3 243.351 0.934 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@H]([NH3+])C2CC2)[C@H](C)CN1 ZINC000841849382 583367633 /nfs/dbraw/zinc/36/76/33/583367633.db2.gz PWYQUEFCEBSHDQ-KKZNHRDASA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC1CCN(C)CC1 ZINC000894253486 583393591 /nfs/dbraw/zinc/39/35/91/583393591.db2.gz KEUAHBPCGJZYEH-CMPLNLGQSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H](CC[NH2+][C@H]1CCNC(=O)CC1)N(C)C ZINC000895294608 583638049 /nfs/dbraw/zinc/63/80/49/583638049.db2.gz XICNRTAJMDHIAV-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO COCC1C[NH+](CC2CCN(C)CC2)C1 ZINC000895975984 583753450 /nfs/dbraw/zinc/75/34/50/583753450.db2.gz JVBRJWGDDXULDO-UHFFFAOYSA-N 1 3 212.337 0.906 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000896023325 583764640 /nfs/dbraw/zinc/76/46/40/583764640.db2.gz ZYFQGHBNLKMYAN-RYUDHWBXSA-N 1 3 210.321 0.395 20 0 BCADHO CN1CCC(C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000896023325 583764641 /nfs/dbraw/zinc/76/46/41/583764641.db2.gz ZYFQGHBNLKMYAN-RYUDHWBXSA-N 1 3 210.321 0.395 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870981536 583932898 /nfs/dbraw/zinc/93/28/98/583932898.db2.gz JGKAZQOBRMKGBL-WOPDTQHZSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870981536 583932899 /nfs/dbraw/zinc/93/28/99/583932899.db2.gz JGKAZQOBRMKGBL-WOPDTQHZSA-N 1 3 239.363 0.522 20 0 BCADHO CN(C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC000729631201 584020445 /nfs/dbraw/zinc/02/04/45/584020445.db2.gz KMGRKXCPLDVGHJ-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000729687089 584023343 /nfs/dbraw/zinc/02/33/43/584023343.db2.gz QKTOXJSZLQOBTA-RYUDHWBXSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729687089 584023344 /nfs/dbraw/zinc/02/33/44/584023344.db2.gz QKTOXJSZLQOBTA-RYUDHWBXSA-N 1 3 241.379 0.641 20 0 BCADHO C1O[C@H]2[C@H]([NH2+]C3CCNCC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873215422 584127249 /nfs/dbraw/zinc/12/72/49/584127249.db2.gz AFBCPSKRPFDNBV-WXDOIIRRSA-N 1 3 222.332 0.751 20 0 BCADHO C1O[C@H]2[C@H](NC3CC[NH2+]CC3)[C@H]3C[C@H]1[C@@H]2C3 ZINC000873215422 584127251 /nfs/dbraw/zinc/12/72/51/584127251.db2.gz AFBCPSKRPFDNBV-WXDOIIRRSA-N 1 3 222.332 0.751 20 0 BCADHO OC1(c2ccc(C3=CCC[NH2+]C3)cc2)CNC1 ZINC000899324508 584196462 /nfs/dbraw/zinc/19/64/62/584196462.db2.gz MVEHOXZMBPQRAB-UHFFFAOYSA-N 1 3 230.311 0.854 20 0 BCADHO COC[C@@](C)(O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361472 584572099 /nfs/dbraw/zinc/57/20/99/584572099.db2.gz PPRBKVJSTBCABW-AAEUAGOBSA-N 1 3 244.379 0.752 20 0 BCADHO COCC[C@@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383266 584576770 /nfs/dbraw/zinc/57/67/70/584576770.db2.gz KKLZPFGMDVSKPY-NEPJUHHUSA-N 1 3 244.379 0.752 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902383192 584577008 /nfs/dbraw/zinc/57/70/08/584577008.db2.gz CZCZNKOSSVGNSW-GHMZBOCLSA-N 1 3 230.352 0.362 20 0 BCADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCON ZINC000902416601 584590602 /nfs/dbraw/zinc/59/06/02/584590602.db2.gz UPUSDZWERDTNKD-DGCLKSJQSA-N 1 3 237.347 0.815 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCON ZINC000902417689 584591091 /nfs/dbraw/zinc/59/10/91/584591091.db2.gz YQTHWKMJIDGLTP-NXEZZACHSA-N 1 3 201.314 0.245 20 0 BCADHO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1N)C1C[NH2+]C1 ZINC000902431598 584595478 /nfs/dbraw/zinc/59/54/78/584595478.db2.gz GCSCYLSAVQHTGF-OWYVNGRQSA-N 1 3 231.343 0.809 20 0 BCADHO CC1(C)C[C@H](N)C[C@@H]([NH2+]CCCON)C1 ZINC000902414885 584600324 /nfs/dbraw/zinc/60/03/24/584600324.db2.gz FSMXEEFIUVKDAS-NXEZZACHSA-N 1 3 215.341 0.762 20 0 BCADHO C[C@@H](N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1C[NH2+]C1 ZINC000902452180 584607276 /nfs/dbraw/zinc/60/72/76/584607276.db2.gz JXKGBSDWVMIFED-AAEQCHEDSA-N 1 3 208.305 0.360 20 0 BCADHO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CNC1 ZINC000902452180 584607277 /nfs/dbraw/zinc/60/72/77/584607277.db2.gz JXKGBSDWVMIFED-AAEQCHEDSA-N 1 3 208.305 0.360 20 0 BCADHO C[C@@H](C[C@@H]1COCCN1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461036 584611322 /nfs/dbraw/zinc/61/13/22/584611322.db2.gz KRVAHMLNPMXFBN-KIJLLGNVSA-N 1 3 239.363 0.236 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902461037 584611581 /nfs/dbraw/zinc/61/15/81/584611581.db2.gz KRVAHMLNPMXFBN-KSSYENDESA-N 1 3 239.363 0.236 20 0 BCADHO Cn1cnc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000902462642 584612591 /nfs/dbraw/zinc/61/25/91/584612591.db2.gz WQQCQJPRHSIWEB-SDDRHHMPSA-N 1 3 234.347 0.898 20 0 BCADHO OC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC000902467680 584614977 /nfs/dbraw/zinc/61/49/77/584614977.db2.gz RGLBHDLWGNYRSK-MNRJGNLVSA-N 1 3 210.321 0.772 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000902514805 584629177 /nfs/dbraw/zinc/62/91/77/584629177.db2.gz QFZUZICXBBJBDO-GARJFASQSA-N 1 3 216.325 0.101 20 0 BCADHO C[C@H](N[C@@H]1COC[C@H]1C1CC1)C1C[NH2+]C1 ZINC000902517550 584630189 /nfs/dbraw/zinc/63/01/89/584630189.db2.gz JJVGMKPTXJTYPR-KPXOXKRLSA-N 1 3 210.321 0.609 20 0 BCADHO C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)C1CNC1 ZINC000902517550 584630190 /nfs/dbraw/zinc/63/01/90/584630190.db2.gz JJVGMKPTXJTYPR-KPXOXKRLSA-N 1 3 210.321 0.609 20 0 BCADHO C[C@H](N[C@@H]1COC[C@@H]1C1CC1)C1C[NH2+]C1 ZINC000902517552 584630211 /nfs/dbraw/zinc/63/02/11/584630211.db2.gz JJVGMKPTXJTYPR-XXILOJSOSA-N 1 3 210.321 0.609 20 0 BCADHO C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)C1CNC1 ZINC000902517552 584630212 /nfs/dbraw/zinc/63/02/12/584630212.db2.gz JJVGMKPTXJTYPR-XXILOJSOSA-N 1 3 210.321 0.609 20 0 BCADHO C[NH+](C)CCCN[C@@H]1CCO[C@@]12CCOC2 ZINC000903056187 584722559 /nfs/dbraw/zinc/72/25/59/584722559.db2.gz RHGJMRVBJFFIMX-VXGBXAGGSA-N 1 3 228.336 0.476 20 0 BCADHO CCN(CCCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439112 584762816 /nfs/dbraw/zinc/76/28/16/584762816.db2.gz DPLPNPDVTWWSER-MNOVXSKESA-N 1 3 200.326 0.546 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCNC[C@H]1C(F)F ZINC000903452635 584772166 /nfs/dbraw/zinc/77/21/66/584772166.db2.gz OTHGSQKPDSTUBH-UTLUCORTSA-N 1 3 233.306 0.381 20 0 BCADHO CCN1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1=O ZINC000903456055 584773984 /nfs/dbraw/zinc/77/39/84/584773984.db2.gz DKVQWFZBFHQNMX-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO CCC[C@@H]1C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903457242 584774242 /nfs/dbraw/zinc/77/42/42/584774242.db2.gz OTTZWHWEQMBBFS-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCc3ncncc3C2)C1 ZINC000903481761 584778042 /nfs/dbraw/zinc/77/80/42/584778042.db2.gz MBPDQUGSQQLEKX-CMPLNLGQSA-N 1 3 232.331 0.962 20 0 BCADHO CC1(C)CN(C[C@H]2CCC3(CNC3)O2)C[C@@H]1[NH3+] ZINC000903557319 584783091 /nfs/dbraw/zinc/78/30/91/584783091.db2.gz NORLXDQPGZVJNM-MNOVXSKESA-N 1 3 239.363 0.177 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903753700 584796285 /nfs/dbraw/zinc/79/62/85/584796285.db2.gz XDQLTOZXRHHQEZ-RHYQMDGZSA-N 1 3 242.363 0.753 20 0 BCADHO CCOC(=O)[C@@H]1C[C@H]1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000903742546 584796411 /nfs/dbraw/zinc/79/64/11/584796411.db2.gz CRKHMNCVDHLQOS-NOOOWODRSA-N 1 3 240.347 0.855 20 0 BCADHO CCN(CCC(N)=O)C[C@H]1CCCC[NH2+]C1 ZINC000903786357 584800398 /nfs/dbraw/zinc/80/03/98/584800398.db2.gz HOMXLSJYDZSWQC-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO OC[C@H]1CCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903785489 584800517 /nfs/dbraw/zinc/80/05/17/584800517.db2.gz ZABCUYBIUKSADP-VXGBXAGGSA-N 1 3 212.337 0.833 20 0 BCADHO CO[C@@H]1CC[C@H]1N(C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000903829598 584805748 /nfs/dbraw/zinc/80/57/48/584805748.db2.gz IDNPGNGKQBRHPT-IJLUTSLNSA-N 1 3 240.347 0.474 20 0 BCADHO C[C@@H]1CCOCCN1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903833447 584806281 /nfs/dbraw/zinc/80/62/81/584806281.db2.gz WVOAHQBNXYJEFB-NEPJUHHUSA-N 1 3 240.347 0.618 20 0 BCADHO O[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903883296 584818602 /nfs/dbraw/zinc/81/86/02/584818602.db2.gz HHCFGUSIXYPATA-ZDUSSCGKSA-N 1 3 232.327 0.899 20 0 BCADHO CC(C)(C)[C@H](CO)NC[C@@H]([NH3+])CC(F)F ZINC000903908581 584821621 /nfs/dbraw/zinc/82/16/21/584821621.db2.gz LKUSYMBYHUJDKE-YUMQZZPRSA-N 1 3 224.295 0.966 20 0 BCADHO C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@@H](C)CN1C ZINC000903908255 584821653 /nfs/dbraw/zinc/82/16/53/584821653.db2.gz FUSQNSIKRWWQDZ-UTLUCORTSA-N 1 3 235.322 0.993 20 0 BCADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@H](C)CN1C ZINC000903908254 584821772 /nfs/dbraw/zinc/82/17/72/584821772.db2.gz FUSQNSIKRWWQDZ-OPRDCNLKSA-N 1 3 235.322 0.993 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910564 584822112 /nfs/dbraw/zinc/82/21/12/584822112.db2.gz NWQFINJPISGBOC-OIBJUYFYSA-N 1 3 235.278 0.166 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@@H](N)CC(F)F)C1 ZINC000903910564 584822113 /nfs/dbraw/zinc/82/21/13/584822113.db2.gz NWQFINJPISGBOC-OIBJUYFYSA-N 1 3 235.278 0.166 20 0 BCADHO [NH3+][C@@H](CNC[C@@H]1C[C@H](F)CN1)CC(F)F ZINC000903920305 584823221 /nfs/dbraw/zinc/82/32/21/584823221.db2.gz SHUPLJWHKNKAME-RNJXMRFFSA-N 1 3 225.258 0.259 20 0 BCADHO [NH3+][C@@H](CC(F)F)CN1CCNC[C@H]1C(F)F ZINC000903916996 584827337 /nfs/dbraw/zinc/82/73/37/584827337.db2.gz JGSBYKRFTPUURN-BQBZGAKWSA-N 1 3 243.248 0.508 20 0 BCADHO C[C@@]1(CNCc2cc(N)ccn2)CC[NH2+]C1 ZINC000903953856 584831417 /nfs/dbraw/zinc/83/14/17/584831417.db2.gz LYRNPPXKPMTHTC-GFCCVEGCSA-N 1 3 220.320 0.753 20 0 BCADHO N[C@@H](CC(F)F)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953167 584831590 /nfs/dbraw/zinc/83/15/90/584831590.db2.gz BMRAZNZWQMUBSN-QEYWKRMJSA-N 1 3 234.290 0.672 20 0 BCADHO N[C@@H](CC(F)F)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000903953167 584831591 /nfs/dbraw/zinc/83/15/91/584831591.db2.gz BMRAZNZWQMUBSN-QEYWKRMJSA-N 1 3 234.290 0.672 20 0 BCADHO CC[C@H](COC)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968025 584835112 /nfs/dbraw/zinc/83/51/12/584835112.db2.gz PQWCREFICZNFCI-OUAUKWLOSA-N 1 3 200.326 0.857 20 0 BCADHO CC(C)(C)CC[C@H](N)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000904301291 584861156 /nfs/dbraw/zinc/86/11/56/584861156.db2.gz DCQQMVXWMIQKTC-QWRGUYRKSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)(C)CC[C@H](N)C[N@H+]1CC[C@H](C(N)=O)C1 ZINC000904301291 584861158 /nfs/dbraw/zinc/86/11/58/584861158.db2.gz DCQQMVXWMIQKTC-QWRGUYRKSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@]1(CN2CC[C@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904302877 584862128 /nfs/dbraw/zinc/86/21/28/584862128.db2.gz YCGMEZBJGROJCD-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@]1(C[N@@H+]2CC[C@H](C(N)=O)C2)CCCNC1 ZINC000904302877 584862129 /nfs/dbraw/zinc/86/21/29/584862129.db2.gz YCGMEZBJGROJCD-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@]1(C[N@H+]2CC[C@H](C(N)=O)C2)CCCNC1 ZINC000904302877 584862130 /nfs/dbraw/zinc/86/21/30/584862130.db2.gz YCGMEZBJGROJCD-JQWIXIFHSA-N 1 3 225.336 0.183 20 0 BCADHO CNC(=O)CCCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904325243 584865164 /nfs/dbraw/zinc/86/51/64/584865164.db2.gz UFQXGCLVGMTSSM-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO CNC(=O)CCC[N@H+](C)C[C@]1(C)CCCNC1 ZINC000904325243 584865165 /nfs/dbraw/zinc/86/51/65/584865165.db2.gz UFQXGCLVGMTSSM-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO CNC(=O)CCC[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000904325243 584865167 /nfs/dbraw/zinc/86/51/67/584865167.db2.gz UFQXGCLVGMTSSM-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@H]([C@@H]3CCCO3)C2)C1 ZINC000904328434 584865373 /nfs/dbraw/zinc/86/53/73/584865373.db2.gz OPDJIASKRCDTBN-RNJOBUHISA-N 1 3 240.347 0.604 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@H+](C[C@]2(C)CCCNC2)C1 ZINC000904342680 584866995 /nfs/dbraw/zinc/86/69/95/584866995.db2.gz NGDNTCAFRDOVRG-CHWSQXEVSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@]1(C(N)=O)CC[N@@H+](C[C@]2(C)CCCNC2)C1 ZINC000904342680 584866996 /nfs/dbraw/zinc/86/69/96/584866996.db2.gz NGDNTCAFRDOVRG-CHWSQXEVSA-N 1 3 239.363 0.573 20 0 BCADHO CC[C@H](C)N(CC(=O)OC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904346611 584868363 /nfs/dbraw/zinc/86/83/63/584868363.db2.gz WHPNQLBLVCUJTG-GARJFASQSA-N 1 3 228.336 0.997 20 0 BCADHO Cn1ccnc1[C@@H]1CNCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350976 584869374 /nfs/dbraw/zinc/86/93/74/584869374.db2.gz SRAAIOJDRNJMSJ-TUAOUCFPSA-N 1 3 249.362 0.104 20 0 BCADHO Cn1ccnc1[C@H]1CNCCN1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904350975 584869532 /nfs/dbraw/zinc/86/95/32/584869532.db2.gz SRAAIOJDRNJMSJ-GRYCIOLGSA-N 1 3 249.362 0.104 20 0 BCADHO CC1(CNCc2ccc(N)nn2)CC[NH2+]CC1 ZINC000904355000 584870688 /nfs/dbraw/zinc/87/06/88/584870688.db2.gz JKVXGMFSSHRERX-UHFFFAOYSA-N 1 3 235.335 0.538 20 0 BCADHO Nc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)nn1 ZINC000904355052 584870727 /nfs/dbraw/zinc/87/07/27/584870727.db2.gz MGDSYQWCBKUSCY-SNVBAGLBSA-N 1 3 233.319 0.291 20 0 BCADHO C[C@]1(CN[C@H]2CNCCC2(F)F)CCC[NH2+]C1 ZINC000904354650 584870987 /nfs/dbraw/zinc/87/09/87/584870987.db2.gz IGQIIXXETFWIKS-QWRGUYRKSA-N 1 3 247.333 0.963 20 0 BCADHO Nc1ccc(CNCCC[C@H]2CCC[NH2+]2)nn1 ZINC000904355535 584871464 /nfs/dbraw/zinc/87/14/64/584871464.db2.gz TYRLHKKFTZEYKY-JTQLQIEISA-N 1 3 235.335 0.681 20 0 BCADHO Nc1ccc(CNCCC2(C[NH3+])CC2)nn1 ZINC000904376921 584876252 /nfs/dbraw/zinc/87/62/52/584876252.db2.gz YXGXRSDVIAALRE-UHFFFAOYSA-N 1 3 221.308 0.277 20 0 BCADHO COC[C@]1(C)CN(C[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000904380803 584876554 /nfs/dbraw/zinc/87/65/54/584876554.db2.gz GZUOPGLGIODJCV-TUAOUCFPSA-N 1 3 228.336 0.461 20 0 BCADHO C[C@@H](NC1CC(C[NH3+])C1)c1ccnn1C ZINC000904384029 584877357 /nfs/dbraw/zinc/87/73/57/584877357.db2.gz GNVPSMCBSQVPDR-XNWIYYODSA-N 1 3 208.309 0.808 20 0 BCADHO COC(=O)N[C@H]1CCN(C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904386321 584877707 /nfs/dbraw/zinc/87/77/07/584877707.db2.gz WKBAQBVTWDQLSH-AEJSXWLSSA-N 1 3 227.308 0.154 20 0 BCADHO Nc1cnc(CN2CC[C@@H](CC[NH3+])C2)cn1 ZINC000904407352 584879206 /nfs/dbraw/zinc/87/92/06/584879206.db2.gz UJGLELFAFPSEDU-SECBINFHSA-N 1 3 221.308 0.230 20 0 BCADHO C[C@@H]1CN(Cc2ccc(N)nn2)CC[C@H]1C[NH3+] ZINC000904409589 584879297 /nfs/dbraw/zinc/87/92/97/584879297.db2.gz CWTRJHVOHLVTIE-ZJUUUORDSA-N 1 3 235.335 0.476 20 0 BCADHO CC1(C)[C@H](C(=O)N2CCNCC2(C)C)C[C@@H]1[NH3+] ZINC000876537932 584885953 /nfs/dbraw/zinc/88/59/53/584885953.db2.gz HVYLFSVZBZBMKF-UWVGGRQHSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1C ZINC000876831774 584887442 /nfs/dbraw/zinc/88/74/42/584887442.db2.gz KATLHFNFMJPNSF-BJDJZHNGSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1C ZINC000876831778 584887507 /nfs/dbraw/zinc/88/75/07/584887507.db2.gz KATLHFNFMJPNSF-KXNHARMFSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877106043 584890191 /nfs/dbraw/zinc/89/01/91/584890191.db2.gz OSGUMBKDFMXROQ-VHSXEESVSA-N 1 3 215.341 0.556 20 0 BCADHO COCC[C@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000884034738 584939489 /nfs/dbraw/zinc/93/94/89/584939489.db2.gz KSSMFPDOOFJNRY-CMPLNLGQSA-N 1 3 245.367 0.230 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)CC1CC1 ZINC000884034413 584939621 /nfs/dbraw/zinc/93/96/21/584939621.db2.gz DNDVDZWCYLNGQJ-ZJUUUORDSA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@@H](CO)N1CCN(c2cc[nH+]cc2)CC1 ZINC000788327771 585133718 /nfs/dbraw/zinc/13/37/18/585133718.db2.gz RSPDLZLMBZSYHT-LBPRGKRZSA-N 1 3 235.331 0.975 20 0 BCADHO CN1CCCN(CCC[NH2+][C@H]2CCOC2)CC1 ZINC000756115049 585314645 /nfs/dbraw/zinc/31/46/45/585314645.db2.gz CGPXXQSOUCLQOH-ZDUSSCGKSA-N 1 3 241.379 0.393 20 0 BCADHO CN(C)C1(C(=O)NC2CC[NH+](C)CC2)CCC1 ZINC000762963919 585440082 /nfs/dbraw/zinc/44/00/82/585440082.db2.gz GQXKZXXYANUNTH-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC000762974080 585440682 /nfs/dbraw/zinc/44/06/82/585440682.db2.gz UWKQASDSNSNWNT-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CN(C)C1(C(=O)NCCC[NH+](C)C)CCC1 ZINC000763003039 585441127 /nfs/dbraw/zinc/44/11/27/585441127.db2.gz VUVPIRYPIIQRFO-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO OCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000771803378 585600299 /nfs/dbraw/zinc/60/02/99/585600299.db2.gz ZRFUQVUGZZMZRD-OLZOCXBDSA-N 1 3 242.363 0.194 20 0 BCADHO OC[C@H](NCCC[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000771809119 585600658 /nfs/dbraw/zinc/60/06/58/585600658.db2.gz QTLUTYRDSVQAEM-STQMWFEESA-N 1 3 242.363 0.098 20 0 BCADHO CCCN(CC(=O)NC)CC1CC[NH+](C)CC1 ZINC000788478343 585925112 /nfs/dbraw/zinc/92/51/12/585925112.db2.gz HLFABYRKOBEGTQ-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788471010 585925157 /nfs/dbraw/zinc/92/51/57/585925157.db2.gz QORVBMBUOQPKNQ-UHFFFAOYSA-N 1 3 225.380 0.966 20 0 BCADHO CCN(CC)CC[C@@H](CO)[NH2+]C[C@H](O)C1CC1 ZINC000843105743 586384421 /nfs/dbraw/zinc/38/44/21/586384421.db2.gz UYXDCPLYRXHGBA-STQMWFEESA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(C)C1 ZINC000817890315 586831885 /nfs/dbraw/zinc/83/18/85/586831885.db2.gz RTRNBQWFCPFDKG-IJLUTSLNSA-N 1 3 211.353 0.668 20 0 BCADHO CC1(C[NH2+][C@@H]2CCCCC[C@@H]2N)OCCO1 ZINC000817918239 586831938 /nfs/dbraw/zinc/83/19/38/586831938.db2.gz XHHATTIVGBLZOD-WDEREUQCSA-N 1 3 228.336 0.999 20 0 BCADHO C[C@@H](NCCN1CCC[C@H]1C)C1C[NH2+]C1 ZINC000817912823 586838092 /nfs/dbraw/zinc/83/80/92/586838092.db2.gz JMCYMUBCGCFESI-GHMZBOCLSA-N 1 3 211.353 0.668 20 0 BCADHO COC(=O)N1CCC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000817903165 586835837 /nfs/dbraw/zinc/83/58/37/586835837.db2.gz JAQBJOKPDBHZAN-DCAQKATOSA-N 1 3 243.351 0.933 20 0 BCADHO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)C[C@H](C)N)C1 ZINC000817903165 586835840 /nfs/dbraw/zinc/83/58/40/586835840.db2.gz JAQBJOKPDBHZAN-DCAQKATOSA-N 1 3 243.351 0.933 20 0 BCADHO CN(C(=O)[C@@H]1C[C@@H]1N)C1CCC([NH3+])CC1 ZINC000818528840 586897883 /nfs/dbraw/zinc/89/78/83/586897883.db2.gz JQICWIXCMXBVCQ-BMNUFHGDSA-N 1 3 211.309 0.062 20 0 BCADHO O=C(N[C@@H]1CC[NH2+]C1)C1CCN(C2CC2)CC1 ZINC000818561428 586901247 /nfs/dbraw/zinc/90/12/47/586901247.db2.gz QNBYXGACMDHNSD-LLVKDONJSA-N 1 3 237.347 0.339 20 0 BCADHO CCNCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000818561248 586901269 /nfs/dbraw/zinc/90/12/69/586901269.db2.gz WBQNRSJWOGELFT-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818565129 586902034 /nfs/dbraw/zinc/90/20/34/586902034.db2.gz PIZHLBZDYJMJBC-ZWNOBZJWSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CN1CCCC1 ZINC000823160766 587206175 /nfs/dbraw/zinc/20/61/75/587206175.db2.gz JLLYKACJLBPUKN-NWDGAFQWSA-N 1 3 239.363 0.633 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000829475530 587499663 /nfs/dbraw/zinc/49/96/63/587499663.db2.gz YJBRODKMHYPJTH-LBPRGKRZSA-N 1 3 245.342 0.536 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@]1(F)CCNC1 ZINC000829475530 587499664 /nfs/dbraw/zinc/49/96/64/587499664.db2.gz YJBRODKMHYPJTH-LBPRGKRZSA-N 1 3 245.342 0.536 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000831971046 587640405 /nfs/dbraw/zinc/64/04/05/587640405.db2.gz QFLUEHJTSUPHJX-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000831970843 587640712 /nfs/dbraw/zinc/64/07/12/587640712.db2.gz NBMRSLMHUYIKQN-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)C(C)(C)C[NH3+] ZINC000831970686 587640870 /nfs/dbraw/zinc/64/08/70/587640870.db2.gz KKISVQBPBABZIM-JTQLQIEISA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)[C@H]1CNCc2ccccc21 ZINC000834623084 587761510 /nfs/dbraw/zinc/76/15/10/587761510.db2.gz SDSSOTIBTMUJGR-CABZTGNLSA-N 1 3 233.315 0.337 20 0 BCADHO C[C@H](CCCC[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000834786172 587766914 /nfs/dbraw/zinc/76/69/14/587766914.db2.gz LOCBDDDBPQBYEB-KOLCDFICSA-N 1 3 231.315 0.322 20 0 BCADHO [NH3+]CCCCCC(=O)N[C@H]1CNCCC1(F)F ZINC000834845861 587768487 /nfs/dbraw/zinc/76/84/87/587768487.db2.gz HYNLZOTXFLIMNM-VIFPVBQESA-N 1 3 249.305 0.619 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)NC[C@H](C)N1CCCCC1 ZINC000841723865 587972970 /nfs/dbraw/zinc/97/29/70/587972970.db2.gz BADUPLHCDHFVLC-MNOVXSKESA-N 1 3 242.367 0.507 20 0 BCADHO CC[NH2+]CC(=O)NC[C@@H](N)c1ccccc1 ZINC000841847655 587977399 /nfs/dbraw/zinc/97/73/99/587977399.db2.gz FSHNVNMQMDOUAB-LLVKDONJSA-N 1 3 221.304 0.412 20 0 BCADHO C[C@@H]1CN(C(=O)c2cccc(C[NH3+])c2)[C@H](C)CN1 ZINC000841849488 587977607 /nfs/dbraw/zinc/97/76/07/587977607.db2.gz XRKUYZDERRQJEM-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000841850318 587977968 /nfs/dbraw/zinc/97/79/68/587977968.db2.gz KUJSYIGFPAEQIV-IQJOONFLSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@]1(CNC(=O)[C@]2(F)CCNC2)CCC[NH2+]C1 ZINC000841849979 587978024 /nfs/dbraw/zinc/97/80/24/587978024.db2.gz RYIJUJSCEGDCHE-RYUDHWBXSA-N 1 3 243.326 0.194 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000841851213 587978251 /nfs/dbraw/zinc/97/82/51/587978251.db2.gz GWVMFFFHQUNLRB-FXPVBKGRSA-N 1 3 229.299 0.074 20 0 BCADHO C[C@H]1NCCN(C(=O)c2cccc(C[NH3+])c2)[C@@H]1C ZINC000841850420 587978399 /nfs/dbraw/zinc/97/83/99/587978399.db2.gz SQNCBINXAGDNGB-GHMZBOCLSA-N 1 3 247.342 0.968 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H](N[C@H]2CNCCC2(F)F)C1 ZINC000843125858 588084537 /nfs/dbraw/zinc/08/45/37/588084537.db2.gz JRILDDPKUQVXDB-AEJSXWLSSA-N 1 3 233.306 0.571 20 0 BCADHO CCNCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843476199 588113886 /nfs/dbraw/zinc/11/38/86/588113886.db2.gz CQABLQCRQHIDQL-GFCCVEGCSA-N 1 3 225.336 0.198 20 0 BCADHO CCNCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843484817 588114520 /nfs/dbraw/zinc/11/45/20/588114520.db2.gz LWSCTUYPRNLSSS-RYUDHWBXSA-N 1 3 239.363 0.444 20 0 BCADHO CC[NH2+]CC(=O)N(C)CCN(C)C1CC1 ZINC000843491409 588115291 /nfs/dbraw/zinc/11/52/91/588115291.db2.gz JMXWHGJPEUQCIB-UHFFFAOYSA-N 1 3 213.325 0.149 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCCCCCC[NH3+] ZINC000843506268 588117233 /nfs/dbraw/zinc/11/72/33/588117233.db2.gz RDFCHFXQHNZVDB-NSHDSACASA-N 1 3 229.368 0.995 20 0 BCADHO [NH3+]CCCCCCNC(=O)CCOC1CNC1 ZINC000843512471 588117679 /nfs/dbraw/zinc/11/76/79/588117679.db2.gz MOPPTCFDOPCXRP-UHFFFAOYSA-N 1 3 243.351 0.000 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCCCCCC[NH3+] ZINC000843512489 588117716 /nfs/dbraw/zinc/11/77/16/588117716.db2.gz NIXKPCCJLJVEOR-MRVPVSSYSA-N 1 3 237.294 0.604 20 0 BCADHO CCNCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000844175161 588170938 /nfs/dbraw/zinc/17/09/38/588170938.db2.gz BSERAGHKKXYGRD-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000844175161 588170941 /nfs/dbraw/zinc/17/09/41/588170941.db2.gz BSERAGHKKXYGRD-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000844175162 588171175 /nfs/dbraw/zinc/17/11/75/588171175.db2.gz BSERAGHKKXYGRD-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000844175162 588171176 /nfs/dbraw/zinc/17/11/76/588171176.db2.gz BSERAGHKKXYGRD-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+]CC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000844170966 588171450 /nfs/dbraw/zinc/17/14/50/588171450.db2.gz OLIWZJGCGSXKGE-NSHDSACASA-N 1 3 245.392 0.149 20 0 BCADHO CCNCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000844168368 588171585 /nfs/dbraw/zinc/17/15/85/588171585.db2.gz WTQVBBBJFWFJCS-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CCNCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000844176477 588171910 /nfs/dbraw/zinc/17/19/10/588171910.db2.gz TTXVEWSWKZPPJY-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000844191053 588172763 /nfs/dbraw/zinc/17/27/63/588172763.db2.gz PJJWPMHAWYMIST-ONGXEEELSA-N 1 3 225.336 0.195 20 0 BCADHO CN(C)C(=O)NCCN(C)CCCCCC[NH3+] ZINC000846220798 588261023 /nfs/dbraw/zinc/26/10/23/588261023.db2.gz QMJZCKRKMPJYOW-UHFFFAOYSA-N 1 3 244.383 0.709 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000846700385 588283374 /nfs/dbraw/zinc/28/33/74/588283374.db2.gz CFYJMFWVZBIYGW-SNVBAGLBSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848438404 588384947 /nfs/dbraw/zinc/38/49/47/588384947.db2.gz SOEKZAFZKLRXAM-IYSWYEEDSA-N 1 3 239.241 0.133 20 0 BCADHO CC1(CN[C@@H]2CCC[C@@H]([NH3+])C2)OCCCO1 ZINC000848722136 588408257 /nfs/dbraw/zinc/40/82/57/588408257.db2.gz KDYRCZKJVQBTLD-GHMZBOCLSA-N 1 3 228.336 0.999 20 0 BCADHO Cn1cc([C@H](O)CN[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000848718714 588408579 /nfs/dbraw/zinc/40/85/79/588408579.db2.gz QCBMHDNGKGFCQO-GRYCIOLGSA-N 1 3 238.335 0.313 20 0 BCADHO CC(C)CNC(=[NH2+])NCCNc1ccncc1 ZINC000848995243 588428627 /nfs/dbraw/zinc/42/86/27/588428627.db2.gz LVYLAGSXPWZHRB-UHFFFAOYSA-N 1 3 235.335 0.685 20 0 BCADHO CN(C)CCN(C)CCCNC(=[NH2+])N1CCC1 ZINC000849028215 588441588 /nfs/dbraw/zinc/44/15/88/588441588.db2.gz KXAKBZUHAAPMTF-UHFFFAOYSA-N 1 3 241.383 0.100 20 0 BCADHO CN(C)CCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000849137942 588454402 /nfs/dbraw/zinc/45/44/02/588454402.db2.gz UYKNFCDSFZSYMC-LLVKDONJSA-N 1 3 237.351 0.382 20 0 BCADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](CCO)C1CC1 ZINC000851934172 588645636 /nfs/dbraw/zinc/64/56/36/588645636.db2.gz ZYCGDPXZOWLQFL-QWHCGFSZSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](CCO)C1CC1 ZINC000851934172 588645637 /nfs/dbraw/zinc/64/56/37/588645637.db2.gz ZYCGDPXZOWLQFL-QWHCGFSZSA-N 1 3 244.379 0.438 20 0 BCADHO C[C@@H](O)[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000852562046 588690942 /nfs/dbraw/zinc/69/09/42/588690942.db2.gz ZQLPLMZCLFTMOY-FRRDWIJNSA-N 1 3 242.363 0.288 20 0 BCADHO CC(C)NCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000852827015 588706095 /nfs/dbraw/zinc/70/60/95/588706095.db2.gz YRIUMLAROIHGAJ-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1NCC12CCCC2 ZINC000852825467 588706098 /nfs/dbraw/zinc/70/60/98/588706098.db2.gz KQWOYZPEMVCEIE-LLVKDONJSA-N 1 3 239.363 0.634 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CNCCC1(F)F ZINC000852832543 588706821 /nfs/dbraw/zinc/70/68/21/588706821.db2.gz NDYGIWVRRIJVFH-JGVFFNPUSA-N 1 3 235.278 0.098 20 0 BCADHO C[C@H](CCNC(=O)[C@]1(F)CCNC1)[NH+](C)C ZINC000852846150 588707913 /nfs/dbraw/zinc/70/79/13/588707913.db2.gz DBHHCICTDFIKLQ-KOLCDFICSA-N 1 3 231.315 0.144 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000852859499 588708893 /nfs/dbraw/zinc/70/88/93/588708893.db2.gz VTJSOGKFXRAPGN-QTZUAFFRSA-N 1 3 223.320 0.077 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)NC[C@H]1CCCN1C ZINC000861565083 589168481 /nfs/dbraw/zinc/16/84/81/589168481.db2.gz FJWUICPETYPSJE-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO CN(CCOCC[NH3+])CCOC(F)F ZINC000863556777 589299109 /nfs/dbraw/zinc/29/91/09/589299109.db2.gz HGXYVTNKHDLUOD-UHFFFAOYSA-N 1 3 212.240 0.133 20 0 BCADHO C[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)N1CCCC1 ZINC000864454310 589366083 /nfs/dbraw/zinc/36/60/83/589366083.db2.gz WKJLFLQIVSKUMW-MXWKQRLJSA-N 1 3 224.352 0.993 20 0 BCADHO C[C@H]1C[C@@H]1NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000864462282 589369603 /nfs/dbraw/zinc/36/96/03/589369603.db2.gz LBMPQLMIDSSURE-ONGXEEELSA-N 1 3 222.336 0.771 20 0 BCADHO CC1(C)C[C@H](O)CN(C[C@@H]2CC[NH2+]C2)C1 ZINC000866703655 589513973 /nfs/dbraw/zinc/51/39/73/589513973.db2.gz NNHFCYQDWODYMG-MNOVXSKESA-N 1 3 212.337 0.689 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868007387 589543813 /nfs/dbraw/zinc/54/38/13/589543813.db2.gz MPLOPCROBXBDHU-SNVBAGLBSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)CN1 ZINC000870912405 589696262 /nfs/dbraw/zinc/69/62/62/589696262.db2.gz FWOBVXZMLSNFFR-KXNHARMFSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)CN1 ZINC000870912404 589696516 /nfs/dbraw/zinc/69/65/16/589696516.db2.gz FWOBVXZMLSNFFR-KKOKHZNYSA-N 1 3 239.363 0.713 20 0 BCADHO CC1(C)CN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC000870945210 589700321 /nfs/dbraw/zinc/70/03/21/589700321.db2.gz HGMPYEHZPMJFJX-XYPYZODXSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981475 589702679 /nfs/dbraw/zinc/70/26/79/589702679.db2.gz IXTCKXWOFKATSV-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981475 589702680 /nfs/dbraw/zinc/70/26/80/589702680.db2.gz IXTCKXWOFKATSV-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981476 589702791 /nfs/dbraw/zinc/70/27/91/589702791.db2.gz IXTCKXWOFKATSV-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981476 589702792 /nfs/dbraw/zinc/70/27/92/589702792.db2.gz IXTCKXWOFKATSV-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](NC(=O)[C@H](C)NC1CC1)C1CC[NH2+]CC1 ZINC000870985541 589706176 /nfs/dbraw/zinc/70/61/76/589706176.db2.gz FQXKDLOUYLVATB-ZJUUUORDSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@H](NC(=O)[C@H](N)C1CCC1)C1CC[NH2+]CC1 ZINC000870987596 589706277 /nfs/dbraw/zinc/70/62/77/589706277.db2.gz ODXYBUFKVKUNCV-JOYOIKCWSA-N 1 3 239.363 0.618 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870987561 589706977 /nfs/dbraw/zinc/70/69/77/589706977.db2.gz NHQBHJLVNICZML-ZYHUDNBSSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)(N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870993716 589707475 /nfs/dbraw/zinc/70/74/75/589707475.db2.gz KVYMFBDDUGQVSF-CYBMUJFWSA-N 1 3 241.379 0.947 20 0 BCADHO CC1(C)CCNCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000872290254 589906187 /nfs/dbraw/zinc/90/61/87/589906187.db2.gz KMBDFPBORAEVMA-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CC[NH2+]CCN1C(=O)[C@@H](N)CC(F)F ZINC000872297105 589907282 /nfs/dbraw/zinc/90/72/82/589907282.db2.gz GOZWUGJTCWQDLN-QMMMGPOBSA-N 1 3 249.305 0.569 20 0 BCADHO CCN(CC)CC(=O)N1CC[NH2+]CCC1(C)C ZINC000872297967 589907773 /nfs/dbraw/zinc/90/77/73/589907773.db2.gz ZQPKJLWYJGTFCA-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CCNCCC1(C)C ZINC000872302026 589907906 /nfs/dbraw/zinc/90/79/06/589907906.db2.gz YRPKERXQINRKQO-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCNCCC1(C)C ZINC000872301308 589907984 /nfs/dbraw/zinc/90/79/84/589907984.db2.gz PINCPKXLGWBESU-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N1CCNCCC1(C)C ZINC000872300509 589908121 /nfs/dbraw/zinc/90/81/21/589908121.db2.gz JHEJXVFTRGRNDU-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCNCCC1(C)C ZINC000872298593 589908189 /nfs/dbraw/zinc/90/81/89/589908189.db2.gz NZRUNDVOBQPAMK-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CC1(C)CCNCCN1C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000872302066 589908206 /nfs/dbraw/zinc/90/82/06/589908206.db2.gz ZFKZLVJNVZNDKM-MGCOHNPYSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+][C@H]1CCN(Cc2cc3c(s2)CCNC3)C1 ZINC000873202330 589992863 /nfs/dbraw/zinc/99/28/63/589992863.db2.gz XGFIQQFCIWBSDT-JTQLQIEISA-N 1 3 237.372 0.927 20 0 BCADHO [NH3+][C@@H]1CCN(Cc2cc3c(s2)CCNC3)C1 ZINC000873202331 589993049 /nfs/dbraw/zinc/99/30/49/589993049.db2.gz XGFIQQFCIWBSDT-SNVBAGLBSA-N 1 3 237.372 0.927 20 0 BCADHO c1c(CN[C@@H]2CC[NH2+]C2)sc2c1CNCC2 ZINC000873211379 589996207 /nfs/dbraw/zinc/99/62/07/589996207.db2.gz ZJGJWPXZUPQBOE-SNVBAGLBSA-N 1 3 237.372 0.845 20 0 BCADHO Nc1cnc(CNCCC[C@H]2CCC[NH2+]2)cn1 ZINC000873212962 589996842 /nfs/dbraw/zinc/99/68/42/589996842.db2.gz SFVVEKMQRGVLJN-JTQLQIEISA-N 1 3 235.335 0.681 20 0 BCADHO CC(C)([NH3+])CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873215787 589997929 /nfs/dbraw/zinc/99/79/29/589997929.db2.gz FMYRYOHDGDPTLZ-OGBGREFGSA-N 1 3 210.321 0.737 20 0 BCADHO C[C@H](N[C@H]1CCN(CC(C)(C)O)C1)C1C[NH2+]C1 ZINC000873236416 590004711 /nfs/dbraw/zinc/00/47/11/590004711.db2.gz XLNFKCKCWNLFBE-JQWIXIFHSA-N 1 3 241.379 0.029 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873239382 590005064 /nfs/dbraw/zinc/00/50/64/590005064.db2.gz VGBWDWAKZWSSBL-AIGXORKKSA-N 1 3 222.332 0.879 20 0 BCADHO C[C@@H](NC[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256758 590011446 /nfs/dbraw/zinc/01/14/46/590011446.db2.gz QDGQQLBMDGPWCB-OPRDCNLKSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@@H](NC[C@@H]1Cc2ccccc2CN1)C1C[NH2+]C1 ZINC000873297197 590025039 /nfs/dbraw/zinc/02/50/39/590025039.db2.gz TYCZSNCBDORPSG-ABAIWWIYSA-N 1 3 245.370 0.898 20 0 BCADHO CN1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000874432737 590110130 /nfs/dbraw/zinc/11/01/30/590110130.db2.gz QJEHXOBDKXXSQK-MGCOHNPYSA-N 1 3 240.351 0.117 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCCNCC1 ZINC000876506007 590204706 /nfs/dbraw/zinc/20/47/06/590204706.db2.gz NIAKWXKKODMPSW-VHSXEESVSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H](CNC(=O)/C=C/[C@H]1CCC[NH2+]C1)N(C)C ZINC000876735522 590234259 /nfs/dbraw/zinc/23/42/59/590234259.db2.gz PCKXTTNMXPVDRL-BYAJROORSA-N 1 3 239.363 0.609 20 0 BCADHO C[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)N(C)C ZINC000876736542 590234332 /nfs/dbraw/zinc/23/43/32/590234332.db2.gz VMJFAHGMXRFJNS-UTLUCORTSA-N 1 3 231.315 0.000 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC[NH2+]CC2CC2)[C@H]1C ZINC000876831261 590247548 /nfs/dbraw/zinc/24/75/48/590247548.db2.gz FCQFOPAIGDPKQR-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000876857770 590250290 /nfs/dbraw/zinc/25/02/90/590250290.db2.gz VUIWPWWNRIZTRM-QEYWKRMJSA-N 1 3 243.326 0.176 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000876873114 590251894 /nfs/dbraw/zinc/25/18/94/590251894.db2.gz WCLUZVCPYNWQHA-VHSXEESVSA-N 1 3 239.363 0.570 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925083 590257824 /nfs/dbraw/zinc/25/78/24/590257824.db2.gz SXRVUEYNECVTAT-ZYHUDNBSSA-N 1 3 225.336 0.339 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@]1(F)CCNC1 ZINC000877002454 590267976 /nfs/dbraw/zinc/26/79/76/590267976.db2.gz VHIFVHRNEYSHBZ-GXSJLCMTSA-N 1 3 241.310 0.089 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877095086 590278876 /nfs/dbraw/zinc/27/88/76/590278876.db2.gz INUVSFNMSCEPON-WPRPVWTQSA-N 1 3 201.314 0.310 20 0 BCADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103480 590283671 /nfs/dbraw/zinc/28/36/71/590283671.db2.gz VJUGXGBXXGYCHQ-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH3+] ZINC000877102506 590283674 /nfs/dbraw/zinc/28/36/74/590283674.db2.gz JDSBDKKDOLGIBG-VIFPVBQESA-N 1 3 201.314 0.132 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000877102675 590283815 /nfs/dbraw/zinc/28/38/15/590283815.db2.gz LAORDQKEHWPHND-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)C1CCN(C2CC2)CC1 ZINC000877105709 590284951 /nfs/dbraw/zinc/28/49/51/590284951.db2.gz LVHQIODQRZAOJW-SNVBAGLBSA-N 1 3 239.363 0.666 20 0 BCADHO CC1(C)CC[C@H](CNC(=O)CNC2CC2)[NH2+]C1 ZINC000877153764 590293403 /nfs/dbraw/zinc/29/34/03/590293403.db2.gz YNHHDUATTBQIQN-LLVKDONJSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000877176239 590297299 /nfs/dbraw/zinc/29/72/99/590297299.db2.gz NOYNCVUGURSGGP-XHNCKOQMSA-N 1 3 211.309 0.075 20 0 BCADHO [NH3+]CC12CCC(CC1)N2C(=O)[C@]1(F)CCNC1 ZINC000877191888 590299085 /nfs/dbraw/zinc/29/90/85/590299085.db2.gz BOHPEEIPNCFANG-NHNAUAITSA-N 1 3 241.310 0.170 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243892 590303165 /nfs/dbraw/zinc/30/31/65/590303165.db2.gz RPXXKUQKCZMREM-KYXWUPHJSA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254879 590304239 /nfs/dbraw/zinc/30/42/39/590304239.db2.gz HVXZFNMMNWXVNP-SCVCMEIPSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CN ZINC000877267223 590305253 /nfs/dbraw/zinc/30/52/53/590305253.db2.gz QZQDFWNPJKJSTQ-UHFFFAOYSA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)NCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877274642 590305293 /nfs/dbraw/zinc/30/52/93/590305293.db2.gz MCTFRNPCSXBXLP-MNOVXSKESA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877282723 590306950 /nfs/dbraw/zinc/30/69/50/590306950.db2.gz MUDSKUFPTQAULA-DLOVCJGASA-N 1 3 237.347 0.480 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285355 590307107 /nfs/dbraw/zinc/30/71/07/590307107.db2.gz ZXCGXNPMDVYVDG-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO O=C(N1CCC[C@@H]2[NH2+]CC[C@H]21)[C@]1(F)CCNC1 ZINC000877287117 590307310 /nfs/dbraw/zinc/30/73/10/590307310.db2.gz JEQJPNQXVSOPII-UMNHJUIQSA-N 1 3 241.310 0.041 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877288475 590307362 /nfs/dbraw/zinc/30/73/62/590307362.db2.gz PFBNTBFCBQXQAY-LPEHRKFASA-N 1 3 211.309 0.077 20 0 BCADHO CCN[C@H](C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387406 590321795 /nfs/dbraw/zinc/32/17/95/590321795.db2.gz YMUWRDZKKGQNBV-FOGDFJRCSA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)N(C)CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877393443 590321932 /nfs/dbraw/zinc/32/19/32/590321932.db2.gz XUWBQPXYZCMKCV-AAEUAGOBSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](N)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877399269 590322002 /nfs/dbraw/zinc/32/20/02/590322002.db2.gz LVNOLGBWUGXOLR-IQJOONFLSA-N 1 3 211.309 0.125 20 0 BCADHO CC[C@H](N)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877399270 590322127 /nfs/dbraw/zinc/32/21/27/590322127.db2.gz LVNOLGBWUGXOLR-NGZCFLSTSA-N 1 3 211.309 0.125 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)[C@@H]1OCC[C@@H]1N ZINC000877436762 590328289 /nfs/dbraw/zinc/32/82/89/590328289.db2.gz LWJHNMIFWPHLIH-WDEREUQCSA-N 1 3 243.351 0.080 20 0 BCADHO CN1CC[C@H]2C[N@H+](CCCCO)CC[C@H]21 ZINC000879572448 590811490 /nfs/dbraw/zinc/81/14/90/590811490.db2.gz HJGCDEAIUVZSMP-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CC[C@H]2C[N@@H+](CCCCO)CC[C@H]21 ZINC000879572448 590811493 /nfs/dbraw/zinc/81/14/93/590811493.db2.gz HJGCDEAIUVZSMP-NWDGAFQWSA-N 1 3 212.337 0.785 20 0 BCADHO CNC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879578614 590816532 /nfs/dbraw/zinc/81/65/32/590816532.db2.gz FYWJXZWLSLLNNK-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879578614 590816534 /nfs/dbraw/zinc/81/65/34/590816534.db2.gz FYWJXZWLSLLNNK-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879578615 590819196 /nfs/dbraw/zinc/81/91/96/590819196.db2.gz FYWJXZWLSLLNNK-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879578615 590819198 /nfs/dbraw/zinc/81/91/98/590819198.db2.gz FYWJXZWLSLLNNK-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO COC[C@H](C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1)OC ZINC000879581338 590822006 /nfs/dbraw/zinc/82/20/06/590822006.db2.gz YRCFIYBGUNBIJN-AGIUHOORSA-N 1 3 242.363 0.674 20 0 BCADHO COC[C@H](C[N@H+]1CC[C@H]2[C@H](CCN2C)C1)OC ZINC000879581338 590822008 /nfs/dbraw/zinc/82/20/08/590822008.db2.gz YRCFIYBGUNBIJN-AGIUHOORSA-N 1 3 242.363 0.674 20 0 BCADHO C[C@H](O)CC[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879582065 590822068 /nfs/dbraw/zinc/82/20/68/590822068.db2.gz PNKYQWORZQXYJO-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879582065 590822071 /nfs/dbraw/zinc/82/20/71/590822071.db2.gz PNKYQWORZQXYJO-QJPTWQEYSA-N 1 3 212.337 0.783 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129768391 591402026 /nfs/dbraw/zinc/40/20/26/591402026.db2.gz WFPJUVHCMJNPHN-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO COC[C@@H](NCCC[NH+](C)C)[C@H]1CCCOC1 ZINC000883164786 591558325 /nfs/dbraw/zinc/55/83/25/591558325.db2.gz ODCAMPAVUNWRSS-QWHCGFSZSA-N 1 3 244.379 0.969 20 0 BCADHO Cn1cncc1CCN1CCC[C@H](C[NH3+])C1 ZINC000883416240 591652237 /nfs/dbraw/zinc/65/22/37/591652237.db2.gz PQONNBGJCQIQRH-LLVKDONJSA-N 1 3 222.336 0.633 20 0 BCADHO C[C@](C[NH3+])(NC[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000883418335 591654206 /nfs/dbraw/zinc/65/42/06/591654206.db2.gz FALMBAODYXRTDH-GARJFASQSA-N 1 3 215.316 0.403 20 0 BCADHO FC(F)[C@H]1CNCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883428003 591660305 /nfs/dbraw/zinc/66/03/05/591660305.db2.gz IXVOHLBNPMAROG-XHNCKOQMSA-N 1 3 237.269 0.225 20 0 BCADHO FC(F)[C@@H]1CNCCN1C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883428002 591660649 /nfs/dbraw/zinc/66/06/49/591660649.db2.gz IXVOHLBNPMAROG-CIUDSAMLSA-N 1 3 237.269 0.225 20 0 BCADHO C[C@@H]1CN(CCC[NH3+])CCN1c1ccncc1 ZINC000883447708 591670345 /nfs/dbraw/zinc/67/03/45/591670345.db2.gz JKDYIOQYCAKJNO-GFCCVEGCSA-N 1 3 234.347 0.941 20 0 BCADHO C[C@@H]1CN(CC[NH3+])CCN1c1ccncc1 ZINC000883447485 591670718 /nfs/dbraw/zinc/67/07/18/591670718.db2.gz CWBQCJBRTRGRQO-LLVKDONJSA-N 1 3 220.320 0.551 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC(C[NH3+])CC1 ZINC000884011586 591797736 /nfs/dbraw/zinc/79/77/36/591797736.db2.gz JHVUGLNIGAIFOE-NSHDSACASA-N 1 3 225.336 0.311 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H](N)CC1CC1 ZINC000884013735 591798520 /nfs/dbraw/zinc/79/85/20/591798520.db2.gz QVZSVFRNYUOALN-ZMLRMANQSA-N 1 3 239.363 0.842 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884017514 591800615 /nfs/dbraw/zinc/80/06/15/591800615.db2.gz YVKSORWEYWBRAW-WDEREUQCSA-N 1 3 225.336 0.230 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)CC1CC1 ZINC000884026021 591807308 /nfs/dbraw/zinc/80/73/08/591807308.db2.gz PZOUXEXQSKYSPQ-NSHDSACASA-N 1 3 227.352 0.618 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H](N)CC2CC2)CC1 ZINC000884029840 591813574 /nfs/dbraw/zinc/81/35/74/591813574.db2.gz YPQRUQZYKHNUEZ-NSHDSACASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@@H](N)CC2CC2)[C@@H]1C[NH3+] ZINC000884034402 591816325 /nfs/dbraw/zinc/81/63/25/591816325.db2.gz DGUOMRYFKIJPLJ-ADEWGFFLSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884035204 591817735 /nfs/dbraw/zinc/81/77/35/591817735.db2.gz UPXYPAZWWJSJGN-WCQYABFASA-N 1 3 241.379 0.994 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CC1CC1 ZINC000884039703 591822510 /nfs/dbraw/zinc/82/25/10/591822510.db2.gz XAUOUSKJSCKMEU-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)CC1CC1 ZINC000884040815 591822952 /nfs/dbraw/zinc/82/29/52/591822952.db2.gz DYYCDTFBHLVOIN-JTQLQIEISA-N 1 3 227.352 0.557 20 0 BCADHO C[NH+](C)[C@@H](CNC(=O)[C@H](N)CC1CC1)C1CC1 ZINC000884196529 591872115 /nfs/dbraw/zinc/87/21/15/591872115.db2.gz UFLOSEOEGOAUMM-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884245534 591881633 /nfs/dbraw/zinc/88/16/33/591881633.db2.gz XNXHIFOTJYZLNF-LSJOCFKGSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C)CN1 ZINC000884245123 591882282 /nfs/dbraw/zinc/88/22/82/591882282.db2.gz QHVQAMNTYOVZEB-GMTAPVOTSA-N 1 3 239.363 0.441 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)CN1 ZINC000884245126 591882313 /nfs/dbraw/zinc/88/23/13/591882313.db2.gz QHVQAMNTYOVZEB-VWYCJHECSA-N 1 3 239.363 0.441 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884254360 591884941 /nfs/dbraw/zinc/88/49/41/591884941.db2.gz JWZVRBKQGDHIQX-DVVUODLYSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884254361 591885624 /nfs/dbraw/zinc/88/56/24/591885624.db2.gz JWZVRBKQGDHIQX-FBIMIBRVSA-N 1 3 225.336 0.228 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000884267380 591888650 /nfs/dbraw/zinc/88/86/50/591888650.db2.gz DTLAVHMVPGJWJK-VWYCJHECSA-N 1 3 225.336 0.500 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000884272634 591890151 /nfs/dbraw/zinc/89/01/51/591890151.db2.gz ZPVIZVCUBVYEOD-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000884277403 591892314 /nfs/dbraw/zinc/89/23/14/591892314.db2.gz NTOZMVJXAFPPGR-NWDGAFQWSA-N 1 3 239.363 0.701 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884279557 591892554 /nfs/dbraw/zinc/89/25/54/591892554.db2.gz OEABTESGRLJNHZ-CMPLNLGQSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884286288 591893898 /nfs/dbraw/zinc/89/38/98/591893898.db2.gz AVDDWQQEMAEFTQ-PKZYVASSSA-N 1 3 239.363 0.617 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H](N)CC1CC1 ZINC000884286287 591894031 /nfs/dbraw/zinc/89/40/31/591894031.db2.gz AVDDWQQEMAEFTQ-LSKIRQOJSA-N 1 3 239.363 0.617 20 0 BCADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](N)CC1CC1 ZINC000884282425 591894057 /nfs/dbraw/zinc/89/40/57/591894057.db2.gz HNRXMGQCCOMLGW-GARJFASQSA-N 1 3 243.326 0.272 20 0 BCADHO CC1(C)C[NH2+]C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000884292695 591895901 /nfs/dbraw/zinc/89/59/01/591895901.db2.gz IYEOYKALDJFKKV-LPEHRKFASA-N 1 3 243.326 0.048 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884292233 591896102 /nfs/dbraw/zinc/89/61/02/591896102.db2.gz UCBIERMLFRFETM-ONGXEEELSA-N 1 3 227.352 0.748 20 0 BCADHO CN(C(=O)[C@H](N)CC1CC1)C1CC([NH3+])C1 ZINC000884298435 591898450 /nfs/dbraw/zinc/89/84/50/591898450.db2.gz RJZNAVJXSGVBIJ-UDNWOFFPSA-N 1 3 211.309 0.062 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884347758 591908573 /nfs/dbraw/zinc/90/85/73/591908573.db2.gz DZKRTTBCTHDQJH-XHNCKOQMSA-N 1 3 245.392 0.309 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884344645 591908912 /nfs/dbraw/zinc/90/89/12/591908912.db2.gz LZZMIVRCWLUKKC-WCQYABFASA-N 1 3 237.347 0.468 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884348411 591909767 /nfs/dbraw/zinc/90/97/67/591909767.db2.gz YJEXOFHKGFWFQM-SBMIAAHKSA-N 1 3 227.352 0.746 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000884348081 591909940 /nfs/dbraw/zinc/90/99/40/591909940.db2.gz NSOGEQMIICIYBJ-AEJSXWLSSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884348289 591910120 /nfs/dbraw/zinc/91/01/20/591910120.db2.gz TZHFHYYCHKUXES-DJLDLDEBSA-N 1 3 227.352 0.602 20 0 BCADHO CC1(C)[C@H](NC(=O)C2(N)CCCC2)C[C@@H]1[NH3+] ZINC000884348233 591910183 /nfs/dbraw/zinc/91/01/83/591910183.db2.gz RLSVFWRHQWYXEF-DTWKUNHWSA-N 1 3 225.336 0.500 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H](N)CC(F)F ZINC000884357919 591912486 /nfs/dbraw/zinc/91/24/86/591912486.db2.gz IMIPCDRUWXDAMW-RRKCRQDMSA-N 1 3 235.278 0.211 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000884361431 591914901 /nfs/dbraw/zinc/91/49/01/591914901.db2.gz SHKJQTKVSLFLNA-BBBLOLIVSA-N 1 3 225.336 0.356 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)C1 ZINC000884361559 591914998 /nfs/dbraw/zinc/91/49/98/591914998.db2.gz VAMREUZYMQIANA-YTWAJWBKSA-N 1 3 239.363 0.617 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884363501 591916294 /nfs/dbraw/zinc/91/62/94/591916294.db2.gz DGGJQGUDYZBUGD-ZJUUUORDSA-N 1 3 236.319 0.503 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884363499 591916414 /nfs/dbraw/zinc/91/64/14/591916414.db2.gz DGGJQGUDYZBUGD-UWVGGRQHSA-N 1 3 236.319 0.503 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884363805 591916703 /nfs/dbraw/zinc/91/67/03/591916703.db2.gz JAPUJWFNDNPXNT-GARJFASQSA-N 1 3 241.379 0.992 20 0 BCADHO C([C@H]1C[C@@]12CCOC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885961394 592115442 /nfs/dbraw/zinc/11/54/42/592115442.db2.gz XBFJAIXCPDUXNU-YVECIDJPSA-N 1 3 222.332 0.564 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)N1CCCC1 ZINC000137446811 592183863 /nfs/dbraw/zinc/18/38/63/592183863.db2.gz DUKYHPBQSMCKEU-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251378 592186407 /nfs/dbraw/zinc/18/64/07/592186407.db2.gz BKHXVXANWCMNKY-YFKTTZPYSA-N 1 3 242.363 0.333 20 0 BCADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H](O)[C@@H](O)C2)CC1(C)C ZINC000886251378 592186408 /nfs/dbraw/zinc/18/64/08/592186408.db2.gz BKHXVXANWCMNKY-YFKTTZPYSA-N 1 3 242.363 0.333 20 0 BCADHO C(CN1C[C@@H]2C[C@@H]2C1)OCC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344595 592213040 /nfs/dbraw/zinc/21/30/40/592213040.db2.gz HZIPANJYHISHPC-KPWCQOOUSA-N 1 3 236.359 0.906 20 0 BCADHO C(CN1C[C@@H]2C[C@@H]2C1)OCC[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886344595 592213042 /nfs/dbraw/zinc/21/30/42/592213042.db2.gz HZIPANJYHISHPC-KPWCQOOUSA-N 1 3 236.359 0.906 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)CCOC ZINC000220014324 592273025 /nfs/dbraw/zinc/27/30/25/592273025.db2.gz ISUJIPAJTDJGDS-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)CCOC ZINC000220014324 592273028 /nfs/dbraw/zinc/27/30/28/592273028.db2.gz ISUJIPAJTDJGDS-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO COC(=O)[C@H](C)CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000220366062 592309342 /nfs/dbraw/zinc/30/93/42/592309342.db2.gz BWVILGDTDLKLMI-GHMZBOCLSA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCCNC1 ZINC000220366062 592309346 /nfs/dbraw/zinc/30/93/46/592309346.db2.gz BWVILGDTDLKLMI-GHMZBOCLSA-N 1 3 228.336 0.727 20 0 BCADHO COC(=O)[C@H](C)C[N@@H+](C)C[C@@H]1CCCNC1 ZINC000220366062 592309349 /nfs/dbraw/zinc/30/93/49/592309349.db2.gz BWVILGDTDLKLMI-GHMZBOCLSA-N 1 3 228.336 0.727 20 0 BCADHO CCN(C[C@H]1CCC2(CNC2)O1)[C@@H]1CC[NH2+]C1 ZINC000886847061 592364952 /nfs/dbraw/zinc/36/49/52/592364952.db2.gz YACVRGAIPNPYKB-VXGBXAGGSA-N 1 3 239.363 0.191 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)NCC1CC1 ZINC000887351418 592485377 /nfs/dbraw/zinc/48/53/77/592485377.db2.gz OPCHXYYTJIHCIE-UHFFFAOYSA-N 1 3 233.319 0.439 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300360691 592508790 /nfs/dbraw/zinc/50/87/90/592508790.db2.gz YVSJVXKBBOTJBT-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031924 635153191 /nfs/dbraw/zinc/15/31/91/635153191.db2.gz UMLLOOKTGMSGHU-CYBMUJFWSA-N 1 3 239.363 0.683 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(N)ccn1 ZINC000925767908 635185589 /nfs/dbraw/zinc/18/55/89/635185589.db2.gz RHOBQHHTWYWKHS-CABZTGNLSA-N 1 3 220.320 0.894 20 0 BCADHO CN1CC[C@H](c2nc([C@H]3CCC[NH2+]C3)no2)C1 ZINC000258098134 634565236 /nfs/dbraw/zinc/56/52/36/634565236.db2.gz RXEWJOVHDZXXNO-UWVGGRQHSA-N 1 3 236.319 0.956 20 0 BCADHO CC(C)C[NH+]1CCC(NC(=O)C2(N)CC2)CC1 ZINC000236770756 634609646 /nfs/dbraw/zinc/60/96/46/634609646.db2.gz KKQOSJYQULNDQL-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+]CCC[C@H](N[C@H]1CNOC1)c1ccccc1 ZINC000925866219 635568296 /nfs/dbraw/zinc/56/82/96/635568296.db2.gz UQSQFCYRDIGAJA-STQMWFEESA-N 1 3 235.331 0.960 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2nnn(C)c2C1 ZINC000925892886 635618611 /nfs/dbraw/zinc/61/86/11/635618611.db2.gz HFFGIBINYQCQLZ-IVZWLZJFSA-N 1 3 237.351 0.388 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNc1ccncc1CO ZINC000891458847 631369255 /nfs/dbraw/zinc/36/92/55/631369255.db2.gz GBMDTTVZWAETBG-GFCCVEGCSA-N 1 3 235.331 0.892 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNc1ccncc1CO ZINC000891458847 631369260 /nfs/dbraw/zinc/36/92/60/631369260.db2.gz GBMDTTVZWAETBG-GFCCVEGCSA-N 1 3 235.331 0.892 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC1CC1)[NH+](C)C ZINC000308811971 631666318 /nfs/dbraw/zinc/66/63/18/631666318.db2.gz HMVYUZZIVAEUDO-WCBMZHEXSA-N 1 3 213.325 0.180 20 0 BCADHO CC[NH2+]CC(=O)NCCN1CCCCC1 ZINC000044651598 631818887 /nfs/dbraw/zinc/81/88/87/631818887.db2.gz DTYVUMRMKAMXFX-UHFFFAOYSA-N 1 3 213.325 0.198 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158216309 631836329 /nfs/dbraw/zinc/83/63/29/631836329.db2.gz LLMDNMKGCBRFNT-DTWKUNHWSA-N 1 3 213.325 0.310 20 0 BCADHO CCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919197 632012273 /nfs/dbraw/zinc/01/22/73/632012273.db2.gz MHGWBHNUEMSONU-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CN(CC[C@H]1CCC[NH2+]C1)CC(=O)NC1CC1 ZINC000051919354 632012745 /nfs/dbraw/zinc/01/27/45/632012745.db2.gz FWEJMTNQFMLRTG-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](N)CCOC ZINC000052810347 632497291 /nfs/dbraw/zinc/49/72/91/632497291.db2.gz SPIMLRHMGHQIPD-QWRGUYRKSA-N 1 3 245.367 0.197 20 0 BCADHO CCCN1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000309174013 632662757 /nfs/dbraw/zinc/66/27/57/632662757.db2.gz BIMHGOARUHVUHD-JTQLQIEISA-N 1 3 235.322 0.997 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC1CC1)[N@H+](C)C1CC1 ZINC000310190353 632707152 /nfs/dbraw/zinc/70/71/52/632707152.db2.gz XSKJDSJIUARBSK-JOYOIKCWSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC1CC1)[N@@H+](C)C1CC1 ZINC000310190353 632707155 /nfs/dbraw/zinc/70/71/55/632707155.db2.gz XSKJDSJIUARBSK-JOYOIKCWSA-N 1 3 239.363 0.713 20 0 BCADHO O[C@H](CNC[C@H](O)C1CC1)C[NH+]1CCCCC1 ZINC000310552626 632755350 /nfs/dbraw/zinc/75/53/50/632755350.db2.gz VANFEJNNSSRBGM-OLZOCXBDSA-N 1 3 242.363 0.194 20 0 BCADHO Cn1ncc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000310554227 632755405 /nfs/dbraw/zinc/75/54/05/632755405.db2.gz HKJRLERQLJIFLW-PHIMTYICSA-N 1 3 235.335 0.247 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](CO)CCF ZINC000926655337 632777739 /nfs/dbraw/zinc/77/77/39/632777739.db2.gz MDKLOYHBASBLSP-PSIUFMSWSA-N 1 3 230.327 0.637 20 0 BCADHO C=CCNC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000066245305 632862105 /nfs/dbraw/zinc/86/21/05/632862105.db2.gz ALBXKFUFFUNPGE-SNVBAGLBSA-N 1 3 210.325 0.561 20 0 BCADHO C[C@H]1NCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H]1C ZINC000892549530 632960639 /nfs/dbraw/zinc/96/06/39/632960639.db2.gz VOBARFZEAFFASN-YTWAJWBKSA-N 1 3 240.351 0.116 20 0 BCADHO CCNC(=O)CN(CC)CCCCCC[NH3+] ZINC000309468046 633110366 /nfs/dbraw/zinc/11/03/66/633110366.db2.gz SYAFEDOUGCGLFF-UHFFFAOYSA-N 1 3 229.368 0.964 20 0 BCADHO C[C@H]1CN(CC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000122313414 633214566 /nfs/dbraw/zinc/21/45/66/633214566.db2.gz YBXYSARATSPUSO-NWDGAFQWSA-N 1 3 239.363 0.526 20 0 BCADHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C ZINC000928440028 635937297 /nfs/dbraw/zinc/93/72/97/635937297.db2.gz ZAHAJDMUYVZXPK-OUAUKWLOSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C ZINC000928440028 635937300 /nfs/dbraw/zinc/93/73/00/635937300.db2.gz ZAHAJDMUYVZXPK-OUAUKWLOSA-N 1 3 225.336 0.147 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@@H]2COCO2)CC1(C)C ZINC000894891063 635999622 /nfs/dbraw/zinc/99/96/22/635999622.db2.gz XWBBJIXOWATRQS-GHMZBOCLSA-N 1 3 228.336 0.822 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@@H]2COCO2)CC1(C)C ZINC000894891063 635999627 /nfs/dbraw/zinc/99/96/27/635999627.db2.gz XWBBJIXOWATRQS-GHMZBOCLSA-N 1 3 228.336 0.822 20 0 BCADHO C(CN1CCCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925508896 633845669 /nfs/dbraw/zinc/84/56/69/633845669.db2.gz JUYVNCSZIIIVFW-GFCCVEGCSA-N 1 3 223.364 0.956 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236692102 634092766 /nfs/dbraw/zinc/09/27/66/634092766.db2.gz TXFKHYQAZRRMQC-WDEREUQCSA-N 1 3 227.352 0.557 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCc2nc[nH]c2C1 ZINC000925667159 634242068 /nfs/dbraw/zinc/24/20/68/634242068.db2.gz AEEOZKWAIYFIME-SKDRFNHKSA-N 1 3 234.347 0.997 20 0 BCADHO CC1(C)[NH2+]CC[C@@H]1N[C@@H]1CCc2[nH]cnc2C1 ZINC000925667159 634242071 /nfs/dbraw/zinc/24/20/71/634242071.db2.gz AEEOZKWAIYFIME-SKDRFNHKSA-N 1 3 234.347 0.997 20 0 BCADHO Cn1ncc(CCCN[C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925677401 634269247 /nfs/dbraw/zinc/26/92/47/634269247.db2.gz PHDDCZRPJJHCIX-NEPJUHHUSA-N 1 3 249.362 0.607 20 0 BCADHO Cn1ncc(CCCN[C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925677402 634269714 /nfs/dbraw/zinc/26/97/14/634269714.db2.gz PHDDCZRPJJHCIX-NWDGAFQWSA-N 1 3 249.362 0.607 20 0 BCADHO Cn1ncc(CCCN[C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925677404 634270506 /nfs/dbraw/zinc/27/05/06/634270506.db2.gz PHDDCZRPJJHCIX-VXGBXAGGSA-N 1 3 249.362 0.607 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925685138 634298821 /nfs/dbraw/zinc/29/88/21/634298821.db2.gz GMIMUFXLCGRTPU-FIQHERPVSA-N 1 3 242.363 0.896 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424030639 635153710 /nfs/dbraw/zinc/15/37/10/635153710.db2.gz RGYCXUQRRDVROR-MDZLAQPJSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H]([NH2+][C@@H]1CNC[C@H]1C)[C@H]1CCOC1 ZINC000925782351 635278856 /nfs/dbraw/zinc/27/88/56/635278856.db2.gz JNOLGCZTRIICAX-NOOOWODRSA-N 1 3 212.337 0.999 20 0 BCADHO COC(=O)[C@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220861864 635348721 /nfs/dbraw/zinc/34/87/21/635348721.db2.gz SRLLZVZWKYRTJG-OUAUKWLOSA-N 1 3 226.320 0.751 20 0 BCADHO COC(=O)[C@@H]1CCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000220861795 635348966 /nfs/dbraw/zinc/34/89/66/635348966.db2.gz SRLLZVZWKYRTJG-VWYCJHECSA-N 1 3 226.320 0.751 20 0 BCADHO C[C@H](NCCO[C@@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000925874794 635594744 /nfs/dbraw/zinc/59/47/44/635594744.db2.gz NNTXNWSFSUQBFV-QJPTWQEYSA-N 1 3 228.336 0.380 20 0 BCADHO C[C@H](NCCO[C@H]1CCOC1)[C@@H]1CC[NH2+]C1 ZINC000925874797 635595393 /nfs/dbraw/zinc/59/53/93/635595393.db2.gz NNTXNWSFSUQBFV-TUAOUCFPSA-N 1 3 228.336 0.380 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(CO)CC1 ZINC000925203525 636380384 /nfs/dbraw/zinc/38/03/84/636380384.db2.gz MFCCWJXKPVUSNA-FOSCPWQOSA-N 1 3 224.348 0.689 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987059407 636620502 /nfs/dbraw/zinc/62/05/02/636620502.db2.gz QPEADOSVJCNYPK-ONGXEEELSA-N 1 3 236.319 0.551 20 0 BCADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN1C ZINC000897845445 636837405 /nfs/dbraw/zinc/83/74/05/636837405.db2.gz QJQISWSHBAUOTO-QJPTWQEYSA-N 1 3 239.363 0.632 20 0 BCADHO CON1CCC([NH2+]C[C@H](C)CN(C)C)CC1 ZINC000323043464 636894793 /nfs/dbraw/zinc/89/47/93/636894793.db2.gz CUUHMNGFJFJCKF-NSHDSACASA-N 1 3 229.368 0.800 20 0 BCADHO CCO[C@H](CN[C@H](COC)C1CC1)C[NH+](C)C ZINC000926961183 636972410 /nfs/dbraw/zinc/97/24/10/636972410.db2.gz IFRYEURYYCRWOI-CHWSQXEVSA-N 1 3 244.379 0.968 20 0 BCADHO COC(=O)C12CC(C1)CN2C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903463412 637363825 /nfs/dbraw/zinc/36/38/25/637363825.db2.gz AIIZPQZIBMGGMC-JJOYANBFSA-N 1 3 238.331 0.751 20 0 BCADHO C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)N1CCSCC1 ZINC000903722966 637378316 /nfs/dbraw/zinc/37/83/16/637378316.db2.gz FNHDMYKARHWYGX-NWDGAFQWSA-N 1 3 242.388 0.804 20 0 BCADHO C([C@H]1C[C@]2(CC[NH2+]C2)CO1)N1CCSCC1 ZINC000903722961 637378670 /nfs/dbraw/zinc/37/86/70/637378670.db2.gz FNHDMYKARHWYGX-NEPJUHHUSA-N 1 3 242.388 0.804 20 0 BCADHO CC(C)C[C@@H](N)C[NH2+][C@]1(C)CCNC1=O ZINC000904469279 637422323 /nfs/dbraw/zinc/42/23/23/637422323.db2.gz LANRRQQEUOKYGI-MWLCHTKSSA-N 1 3 213.325 0.228 20 0 BCADHO [NH3+][C@H](CN[C@@H]1COC[C@@H]1C1CC1)CC(F)F ZINC000904474552 637425029 /nfs/dbraw/zinc/42/50/29/637425029.db2.gz GIKFMNJQZIUXOV-IVZWLZJFSA-N 1 3 234.290 0.984 20 0 BCADHO [NH3+][C@H](CN[C@H]1COC[C@H]1C1CC1)CC(F)F ZINC000904474550 637426146 /nfs/dbraw/zinc/42/61/46/637426146.db2.gz GIKFMNJQZIUXOV-GUBZILKMSA-N 1 3 234.290 0.984 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)C2(O)CCC2)CC[N@@H+]1C ZINC000905132579 637644739 /nfs/dbraw/zinc/64/47/39/637644739.db2.gz BKGXLTLZPFUMND-GRYCIOLGSA-N 1 3 242.363 0.335 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H](O)C2(O)CCC2)CC[N@H+]1C ZINC000905132579 637644742 /nfs/dbraw/zinc/64/47/42/637644742.db2.gz BKGXLTLZPFUMND-GRYCIOLGSA-N 1 3 242.363 0.335 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000906091954 638048668 /nfs/dbraw/zinc/04/86/68/638048668.db2.gz QZUDPOONIFWNIC-GARJFASQSA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000906091956 638049114 /nfs/dbraw/zinc/04/91/14/638049114.db2.gz QZUDPOONIFWNIC-HBNTYKKESA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000906092025 638049189 /nfs/dbraw/zinc/04/91/89/638049189.db2.gz SLAVQAYVLWAXJM-GMTAPVOTSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000906097208 638052858 /nfs/dbraw/zinc/05/28/58/638052858.db2.gz MISBGPLCMRCVEX-LOWVWBTDSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)([NH3+])C(=O)NCCN1CCC(C)(C)C1 ZINC000906639825 638226558 /nfs/dbraw/zinc/22/65/58/638226558.db2.gz MGJBLSWEBUPHTC-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC1CC([NH+](C)C)C1 ZINC000908012074 638547049 /nfs/dbraw/zinc/54/70/49/638547049.db2.gz LVHDHPXMPROLGY-UHFFFAOYSA-N 1 3 236.319 0.469 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)N(C)C ZINC000908414514 638699863 /nfs/dbraw/zinc/69/98/63/638699863.db2.gz QARFTAWPPWQJPS-SDDRHHMPSA-N 1 3 241.379 0.878 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672395 639699322 /nfs/dbraw/zinc/69/93/22/639699322.db2.gz DNNVXMWGYUINPT-AXFHLTTASA-N 1 3 227.352 0.618 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H](N)C[C@H](C)CC ZINC000911688990 639729309 /nfs/dbraw/zinc/72/93/09/639729309.db2.gz XVILUTATHHMGNJ-GHMZBOCLSA-N 1 3 229.368 0.866 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737045 639761589 /nfs/dbraw/zinc/76/15/89/639761589.db2.gz QWPDOHIZEWFPTG-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO C[NH2+]CCNC(=O)c1cccc2c1OCCNC2 ZINC000911749046 639774999 /nfs/dbraw/zinc/77/49/99/639774999.db2.gz VHDZNBAYCUYIOB-UHFFFAOYSA-N 1 3 249.314 0.118 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750984 639777535 /nfs/dbraw/zinc/77/75/35/639777535.db2.gz HJUDXEBLCVRYIG-VXGBXAGGSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762066 639789658 /nfs/dbraw/zinc/78/96/58/639789658.db2.gz KVFWWLLLYZSXDQ-IUCAKERBSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911762067 639788936 /nfs/dbraw/zinc/78/89/36/639788936.db2.gz KVFWWLLLYZSXDQ-RKDXNWHRSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787819 639805008 /nfs/dbraw/zinc/80/50/08/639805008.db2.gz VULOJFOBHBKZAL-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CCSC ZINC000911799876 639820355 /nfs/dbraw/zinc/82/03/55/639820355.db2.gz LOHCFFJAJSYXGN-SECBINFHSA-N 1 3 247.408 0.701 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911852137 639858932 /nfs/dbraw/zinc/85/89/32/639858932.db2.gz NGBIWGJRENFLRZ-HBNTYKKESA-N 1 3 227.352 0.700 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@H+](C[C@@](C)(O)C(F)F)C[C@H]21 ZINC000931275839 640124943 /nfs/dbraw/zinc/12/49/43/640124943.db2.gz ALNZMQLSGBQURB-UYAYMFIHSA-N 1 3 234.290 0.494 20 0 BCADHO CN(C)[C@@H]1[C@H]2C[N@@H+](C[C@@](C)(O)C(F)F)C[C@H]21 ZINC000931275839 640124949 /nfs/dbraw/zinc/12/49/49/640124949.db2.gz ALNZMQLSGBQURB-UYAYMFIHSA-N 1 3 234.290 0.494 20 0 BCADHO C[C@H]1C[C@H](NCCN2CCNC2=O)CC[N@@H+]1C ZINC000158110084 640806850 /nfs/dbraw/zinc/80/68/50/640806850.db2.gz GQXVTZVLTGISIL-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H]1C[C@H](NCCN2CCNC2=O)CC[N@H+]1C ZINC000158110084 640806854 /nfs/dbraw/zinc/80/68/54/640806854.db2.gz GQXVTZVLTGISIL-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO Cn1cc(CCN2CC[C@@H](C[NH3+])C2)cn1 ZINC000087766638 641021064 /nfs/dbraw/zinc/02/10/64/641021064.db2.gz WWAFGNRJXFRSIE-JTQLQIEISA-N 1 3 208.309 0.243 20 0 BCADHO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000230386667 641049568 /nfs/dbraw/zinc/04/95/68/641049568.db2.gz ZQIQHPYAWWQGBK-MNOVXSKESA-N 1 3 241.379 0.866 20 0 BCADHO Cn1nccc1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000230772644 641093248 /nfs/dbraw/zinc/09/32/48/641093248.db2.gz OXUNMHZFNFEIOW-MNOVXSKESA-N 1 3 222.336 0.822 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)CCO)C1 ZINC000779339871 641186789 /nfs/dbraw/zinc/18/67/89/641186789.db2.gz GFYUGOIOJQFNEO-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH+](C)CCOCCNCc1c[nH]cn1 ZINC000231675725 641192476 /nfs/dbraw/zinc/19/24/76/641192476.db2.gz AREWTJHMQDGNAR-UHFFFAOYSA-N 1 3 212.297 0.078 20 0 BCADHO C[C@H]([NH3+])CN(C)CCCc1cncn1C ZINC000314862721 641580079 /nfs/dbraw/zinc/58/00/79/641580079.db2.gz JNDIPIDBZDJOLJ-JTQLQIEISA-N 1 3 210.325 0.632 20 0 BCADHO C[C@H](N)C[N@H+](C)CCCc1cncn1C ZINC000314862721 641580087 /nfs/dbraw/zinc/58/00/87/641580087.db2.gz JNDIPIDBZDJOLJ-JTQLQIEISA-N 1 3 210.325 0.632 20 0 BCADHO C[C@H](N)C[N@@H+](C)CCCc1cncn1C ZINC000314862721 641580092 /nfs/dbraw/zinc/58/00/92/641580092.db2.gz JNDIPIDBZDJOLJ-JTQLQIEISA-N 1 3 210.325 0.632 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156151231 641596503 /nfs/dbraw/zinc/59/65/03/641596503.db2.gz CJBNMXFCDQRIMV-IJLUTSLNSA-N 1 3 241.379 0.946 20 0 BCADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833661 641614421 /nfs/dbraw/zinc/61/44/21/641614421.db2.gz BHBUPWOXQVLCFX-WDEREUQCSA-N 1 3 237.347 0.420 20 0 BCADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(N)CC2)C1 ZINC000572833661 641614425 /nfs/dbraw/zinc/61/44/25/641614425.db2.gz BHBUPWOXQVLCFX-WDEREUQCSA-N 1 3 237.347 0.420 20 0 BCADHO CCOC[C@H](O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000068949972 642815240 /nfs/dbraw/zinc/81/52/40/642815240.db2.gz SAEDQINCRXTDAA-GRYCIOLGSA-N 1 3 230.352 0.443 20 0 BCADHO CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC000939207751 642858871 /nfs/dbraw/zinc/85/88/71/642858871.db2.gz ATBCKKVKZWWFAK-MWLCHTKSSA-N 1 3 236.319 0.409 20 0 BCADHO CC(C)N(C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000181285459 642858989 /nfs/dbraw/zinc/85/89/89/642858989.db2.gz YEGYIVVPYQHFGQ-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018630992 643002619 /nfs/dbraw/zinc/00/26/19/643002619.db2.gz CJVBALHJRRXTKT-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018630991 643003140 /nfs/dbraw/zinc/00/31/40/643003140.db2.gz CJVBALHJRRXTKT-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018616253 643003383 /nfs/dbraw/zinc/00/33/83/643003383.db2.gz LQHCUTXHFITOPB-RYUDHWBXSA-N 1 3 239.363 0.680 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000969947151 643254163 /nfs/dbraw/zinc/25/41/63/643254163.db2.gz BEOWUEORTDUQNI-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970103006 643294775 /nfs/dbraw/zinc/29/47/75/643294775.db2.gz KDWQNWXSKUFIMU-SECBINFHSA-N 1 3 222.292 0.163 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H](N)CC1CC1 ZINC000083369811 643440126 /nfs/dbraw/zinc/44/01/26/643440126.db2.gz VZZRHQXUSNJZQD-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCn1cccn1 ZINC000084216443 643651703 /nfs/dbraw/zinc/65/17/03/643651703.db2.gz ZIPRWWDQCIMXOS-NEPJUHHUSA-N 1 3 222.336 0.990 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000086068430 643898582 /nfs/dbraw/zinc/89/85/82/643898582.db2.gz VRFJANZHTJHVPI-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CCO[C@@H](C[NH2+]C1CCN(C)CC1)CN(C)C ZINC000922762598 644089118 /nfs/dbraw/zinc/08/91/18/644089118.db2.gz XNBKDLSXPZSPPJ-ZDUSSCGKSA-N 1 3 243.395 0.637 20 0 BCADHO Cc1cc(N(C)CC[NH+](C)C)nc(N)n1 ZINC000086435951 644131520 /nfs/dbraw/zinc/13/15/20/644131520.db2.gz GBSJGLQOEXTAHS-UHFFFAOYSA-N 1 3 209.297 0.365 20 0 BCADHO CSC[C@@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923279430 644311450 /nfs/dbraw/zinc/31/14/50/644311450.db2.gz AQKBPISKKGCBNM-ZJUUUORDSA-N 1 3 218.366 0.381 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923281785 644315415 /nfs/dbraw/zinc/31/54/15/644315415.db2.gz PPMAFFYJDWXUHF-RYUDHWBXSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000923282767 644316764 /nfs/dbraw/zinc/31/67/64/644316764.db2.gz XQMTUKVHIACEIF-RYUDHWBXSA-N 1 3 230.352 0.445 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923288384 644322404 /nfs/dbraw/zinc/32/24/04/644322404.db2.gz JJBRQVLXUPZPDT-SDDRHHMPSA-N 1 3 230.352 0.443 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923288387 644322940 /nfs/dbraw/zinc/32/29/40/644322940.db2.gz JJBRQVLXUPZPDT-WOPDTQHZSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)OCC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923290207 644324776 /nfs/dbraw/zinc/32/47/76/644324776.db2.gz VVUZPEXRICCANU-AVGNSLFASA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923295849 644331268 /nfs/dbraw/zinc/33/12/68/644331268.db2.gz IXMBYPQMININRO-NEPJUHHUSA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)[C@](C)(CN)[NH2+]C[C@H](O)C(F)(F)F ZINC000923295551 644331413 /nfs/dbraw/zinc/33/14/13/644331413.db2.gz CLCMOYONHGEHHT-YUMQZZPRSA-N 1 3 228.258 0.873 20 0 BCADHO CCOC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923295725 644331825 /nfs/dbraw/zinc/33/18/25/644331825.db2.gz FSZJIUBEKFTBFZ-GHMZBOCLSA-N 1 3 218.341 0.347 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)Cn1cccn1 ZINC000923295800 644332601 /nfs/dbraw/zinc/33/26/01/644332601.db2.gz HSBLRNHVWIOLJO-NEPJUHHUSA-N 1 3 240.351 0.207 20 0 BCADHO CSC[C@@H](O)CN[C@](C)(C[NH3+])C1CC1 ZINC000923297073 644335887 /nfs/dbraw/zinc/33/58/87/644335887.db2.gz XNSPFLVHZVBNGB-VHSXEESVSA-N 1 3 218.366 0.427 20 0 BCADHO CCN(C[C@@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308204 644338297 /nfs/dbraw/zinc/33/82/97/644338297.db2.gz GKMLGDLLUNHATO-BJDJZHNGSA-N 1 3 228.336 0.338 20 0 BCADHO C([C@@H]1CC2(C[NH2+]C2)CO1)N1CCCOCC1 ZINC000923306469 644342177 /nfs/dbraw/zinc/34/21/77/644342177.db2.gz LJOWMLKYHYJNSA-NSHDSACASA-N 1 3 226.320 0.087 20 0 BCADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN3CCCC[C@H]3C2)C1 ZINC000923323489 644351408 /nfs/dbraw/zinc/35/14/08/644351408.db2.gz ZUIHCCIPXDDVNP-CYDGBPFRSA-N 1 3 239.363 0.007 20 0 BCADHO CSC[C@@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000923333997 644355474 /nfs/dbraw/zinc/35/54/74/644355474.db2.gz FBOYKKGLOSSLFQ-QWRGUYRKSA-N 1 3 232.393 0.784 20 0 BCADHO CCOCC[C@H](O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000923334677 644356735 /nfs/dbraw/zinc/35/67/35/644356735.db2.gz JCWDTYODXWZRSN-STQMWFEESA-N 1 3 244.379 0.848 20 0 BCADHO CO[C@@H](C[NH2+]C(CN)CN)C1CCCC1 ZINC000923358399 644366434 /nfs/dbraw/zinc/36/64/34/644366434.db2.gz AFUNFOPGENNCPX-NSHDSACASA-N 1 3 215.341 0.067 20 0 BCADHO NCC(C[NH3+])NCCOc1cccc(F)c1 ZINC000923351118 644366677 /nfs/dbraw/zinc/36/66/77/644366677.db2.gz GUMTYNURFMMIKC-UHFFFAOYSA-N 1 3 227.283 0.080 20 0 BCADHO CC1(C)CC[C@H](C[NH2+]C(CN)CN)OC1 ZINC000923359064 644369035 /nfs/dbraw/zinc/36/90/35/644369035.db2.gz KSNZLDHESSZTIH-SNVBAGLBSA-N 1 3 215.341 0.067 20 0 BCADHO NCC(C[NH3+])NCc1cccc(OC(F)F)c1 ZINC000923352649 644370284 /nfs/dbraw/zinc/37/02/84/644370284.db2.gz ZAVSMWSWLKXACR-UHFFFAOYSA-N 1 3 245.273 0.664 20 0 BCADHO NCC(C[NH3+])NCc1coc(-c2ccccc2)n1 ZINC000923353615 644370332 /nfs/dbraw/zinc/37/03/32/644370332.db2.gz YZIRBUIXXJESTN-UHFFFAOYSA-N 1 3 246.314 0.717 20 0 BCADHO NCC(C[NH3+])NCc1cc(C(F)(F)F)co1 ZINC000923355606 644373766 /nfs/dbraw/zinc/37/37/66/644373766.db2.gz BHLJKZSRYVLMKH-UHFFFAOYSA-N 1 3 237.225 0.674 20 0 BCADHO CCOCC[C@H](O)CN(C)C1CC([NH3+])C1 ZINC000923363312 644376614 /nfs/dbraw/zinc/37/66/14/644376614.db2.gz RNSCQGMWABEBLD-ILDUYXDCSA-N 1 3 216.325 0.195 20 0 BCADHO CCOC[C@@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923367592 644378780 /nfs/dbraw/zinc/37/87/80/644378780.db2.gz IJJDXAZJUWLRQY-UWVGGRQHSA-N 1 3 218.341 0.347 20 0 BCADHO CCOCC[C@H](O)CN[C@@H](C[NH3+])C(C)(C)C ZINC000923371226 644384794 /nfs/dbraw/zinc/38/47/94/644384794.db2.gz VWRKOAGIKOBPNE-QWRGUYRKSA-N 1 3 232.368 0.737 20 0 BCADHO CO[C@@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC[C@@H]1C ZINC000923374589 644388496 /nfs/dbraw/zinc/38/84/96/644388496.db2.gz ZWZQDIOMJFGLJC-UHFZAUJKSA-N 1 3 228.336 0.194 20 0 BCADHO COC[C@@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923372979 644389710 /nfs/dbraw/zinc/38/97/10/644389710.db2.gz KQHLXIGDHVXCKO-RYUDHWBXSA-N 1 3 230.352 0.491 20 0 BCADHO C(C[NH2+]C1CC1)CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000923384782 644396173 /nfs/dbraw/zinc/39/61/73/644396173.db2.gz NBAGBPZDBAYFTA-CHWSQXEVSA-N 1 3 239.363 0.191 20 0 BCADHO C[C@@H]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)O1 ZINC000923388870 644403325 /nfs/dbraw/zinc/40/33/25/644403325.db2.gz LBLPLMVWMROKEJ-DGORSVRFSA-N 1 3 228.336 0.336 20 0 BCADHO COCCC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923399032 644405102 /nfs/dbraw/zinc/40/51/02/644405102.db2.gz PMOOFFMZAIRDDY-AVGNSLFASA-N 1 3 242.363 0.586 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000923410404 644412239 /nfs/dbraw/zinc/41/22/39/644412239.db2.gz GTWPJBFWAHDXBD-QWRGUYRKSA-N 1 3 232.393 0.914 20 0 BCADHO CSC[C@@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000923410404 644412248 /nfs/dbraw/zinc/41/22/48/644412248.db2.gz GTWPJBFWAHDXBD-QWRGUYRKSA-N 1 3 232.393 0.914 20 0 BCADHO CCOCC[C@@H](O)C[N@@H+]1CCCCC[C@@H](N)C1 ZINC000923412642 644415073 /nfs/dbraw/zinc/41/50/73/644415073.db2.gz RYRJGHWVBNMZKV-CHWSQXEVSA-N 1 3 244.379 0.977 20 0 BCADHO CCOCC[C@@H](O)C[N@H+]1CCCCC[C@@H](N)C1 ZINC000923412642 644415076 /nfs/dbraw/zinc/41/50/76/644415076.db2.gz RYRJGHWVBNMZKV-CHWSQXEVSA-N 1 3 244.379 0.977 20 0 BCADHO CSC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923421907 644416846 /nfs/dbraw/zinc/41/68/46/644416846.db2.gz PEFIGNNRHFUZTA-HRDYMLBCSA-N 1 3 218.366 0.426 20 0 BCADHO CSC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923421907 644416851 /nfs/dbraw/zinc/41/68/51/644416851.db2.gz PEFIGNNRHFUZTA-HRDYMLBCSA-N 1 3 218.366 0.426 20 0 BCADHO CCOCC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923422805 644420047 /nfs/dbraw/zinc/42/00/47/644420047.db2.gz SGNIUDSHLROUNN-GARJFASQSA-N 1 3 230.352 0.489 20 0 BCADHO CCOCC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923422805 644420055 /nfs/dbraw/zinc/42/00/55/644420055.db2.gz SGNIUDSHLROUNN-GARJFASQSA-N 1 3 230.352 0.489 20 0 BCADHO CC(C)OCC[C@@H](O)C[N@@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430556 644424967 /nfs/dbraw/zinc/42/49/67/644424967.db2.gz NBRRFGWKNPPOOX-VXGBXAGGSA-N 1 3 244.379 0.832 20 0 BCADHO CC(C)OCC[C@@H](O)C[N@H+]1C[C@@H](N)C(C)(C)C1 ZINC000923430556 644424970 /nfs/dbraw/zinc/42/49/70/644424970.db2.gz NBRRFGWKNPPOOX-VXGBXAGGSA-N 1 3 244.379 0.832 20 0 BCADHO CCCCOC[C@H](O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000923419474 644425286 /nfs/dbraw/zinc/42/52/86/644425286.db2.gz APPFANBUKVWOSJ-UTUOFQBUSA-N 1 3 244.379 0.879 20 0 BCADHO CCCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](N)C1(C)C ZINC000923419474 644425289 /nfs/dbraw/zinc/42/52/89/644425289.db2.gz APPFANBUKVWOSJ-UTUOFQBUSA-N 1 3 244.379 0.879 20 0 BCADHO CC(C)=CCC[NH+]1CCNCCNCC1 ZINC000923460437 644438475 /nfs/dbraw/zinc/43/84/75/644438475.db2.gz NUBPKCBJJROCFG-UHFFFAOYSA-N 1 3 211.353 0.838 20 0 BCADHO c1csc(CCN2CCNCC[NH2+]CC2)c1 ZINC000923461710 644445236 /nfs/dbraw/zinc/44/52/36/644445236.db2.gz SJXIYRXCGBRMGQ-UHFFFAOYSA-N 1 3 239.388 0.785 20 0 BCADHO Cc1nc([C@H](C)N2CC[C@H](CC[NH3+])C2)n[nH]1 ZINC000923480596 644458305 /nfs/dbraw/zinc/45/83/05/644458305.db2.gz JNYGTTAVJSGOBN-WPRPVWTQSA-N 1 3 223.324 0.845 20 0 BCADHO [NH3+]CC[C@H]1CCN(CC(=O)NCC2CCC2)C1 ZINC000923481033 644459967 /nfs/dbraw/zinc/45/99/67/644459967.db2.gz FTHWSVZKXSIZGX-LBPRGKRZSA-N 1 3 239.363 0.573 20 0 BCADHO CON1CC[C@H](N2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923492250 644468046 /nfs/dbraw/zinc/46/80/46/644468046.db2.gz MLLGRVKQUJLQNW-MXWKQRLJSA-N 1 3 241.335 0.065 20 0 BCADHO Cn1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1=O ZINC000923517211 644481316 /nfs/dbraw/zinc/48/13/16/644481316.db2.gz AXQVFWNNMNRYAO-QWHCGFSZSA-N 1 3 247.342 0.427 20 0 BCADHO CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250560243 644765711 /nfs/dbraw/zinc/76/57/11/644765711.db2.gz CIHCTWFUYOYBGE-AGIUHOORSA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000250560243 644765718 /nfs/dbraw/zinc/76/57/18/644765718.db2.gz CIHCTWFUYOYBGE-AGIUHOORSA-N 1 3 223.364 0.907 20 0 BCADHO CC[C@H](O)CNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546945 644860814 /nfs/dbraw/zinc/86/08/14/644860814.db2.gz LBAWTEISVDKCOE-SRVKXCTJSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H](O)CNC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546945 644860815 /nfs/dbraw/zinc/86/08/15/644860815.db2.gz LBAWTEISVDKCOE-SRVKXCTJSA-N 1 3 228.336 0.210 20 0 BCADHO CCOC[C@H](O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000253203208 644943382 /nfs/dbraw/zinc/94/33/82/644943382.db2.gz ZGXHTAFNRKJBLS-SDDRHHMPSA-N 1 3 230.352 0.301 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H](N)CC(F)F)C2 ZINC000877374634 645794301 /nfs/dbraw/zinc/79/43/01/645794301.db2.gz MDLNKPZWIPPQTG-VAOFZXAKSA-N 1 3 247.289 0.037 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637769 646215216 /nfs/dbraw/zinc/21/52/16/646215216.db2.gz ONLBWFUMYNXMNM-QWHCGFSZSA-N 1 3 242.363 0.675 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000929637769 646215222 /nfs/dbraw/zinc/21/52/22/646215222.db2.gz ONLBWFUMYNXMNM-QWHCGFSZSA-N 1 3 242.363 0.675 20 0 BCADHO C(N[C@H]1C[NH2+]CCOC1)C1CCSCC1 ZINC000925485159 646297297 /nfs/dbraw/zinc/29/72/97/646297297.db2.gz BNGLNOJIOGLJBM-NSHDSACASA-N 1 3 230.377 0.708 20 0 BCADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000929779701 646309646 /nfs/dbraw/zinc/30/96/46/646309646.db2.gz HRXHZOXAYYDCMA-CYDGBPFRSA-N 1 3 244.379 0.533 20 0 BCADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000929779701 646309648 /nfs/dbraw/zinc/30/96/48/646309648.db2.gz HRXHZOXAYYDCMA-CYDGBPFRSA-N 1 3 244.379 0.533 20 0 BCADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000925534560 646319762 /nfs/dbraw/zinc/31/97/62/646319762.db2.gz MXGPDVMWYKKBPG-GMTAPVOTSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCOC2)CN1C1CC1 ZINC000925543593 646325153 /nfs/dbraw/zinc/32/51/53/646325153.db2.gz VNFLTJAEJNHVBV-IJLUTSLNSA-N 1 3 239.363 0.190 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925553481 646329846 /nfs/dbraw/zinc/32/98/46/646329846.db2.gz SLKNMBNEYVNIBL-NTZNESFSSA-N 1 3 239.363 0.047 20 0 BCADHO CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C1(C)C ZINC000925565735 646331740 /nfs/dbraw/zinc/33/17/40/646331740.db2.gz XKHSXDNVUZCYFI-GHMZBOCLSA-N 1 3 211.353 0.811 20 0 BCADHO COCCOC[C@H](C)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925576080 646341131 /nfs/dbraw/zinc/34/11/31/646341131.db2.gz VDBVHELJALKJDA-QJPTWQEYSA-N 1 3 242.363 0.897 20 0 BCADHO COCCOC[C@H](C)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925576080 646341135 /nfs/dbraw/zinc/34/11/35/646341135.db2.gz VDBVHELJALKJDA-QJPTWQEYSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCc2n[nH]cc2C1 ZINC000925582221 646347503 /nfs/dbraw/zinc/34/75/03/646347503.db2.gz CYBAHMTYIQSIQS-ZMLRMANQSA-N 1 3 234.347 0.997 20 0 BCADHO C[C@@H](CN[C@@H]1C[NH2+]CCOC1)N1CCCCC1 ZINC000925613871 646361625 /nfs/dbraw/zinc/36/16/25/646361625.db2.gz UFXXNAYYLHYWOQ-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO [NH3+][C@@H]1C[C@H](N[C@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621749 646366905 /nfs/dbraw/zinc/36/69/05/646366905.db2.gz NKCDODAAYVBDOQ-AXFHLTTASA-N 1 3 247.346 0.452 20 0 BCADHO N[C@@H]1C[C@H]([NH2+][C@H]2CCc3ncnn3C2)C12CCC2 ZINC000925621749 646366908 /nfs/dbraw/zinc/36/69/08/646366908.db2.gz NKCDODAAYVBDOQ-AXFHLTTASA-N 1 3 247.346 0.452 20 0 BCADHO Cc1nnc(CCN[C@@H]2CC[NH2+]C2(C)C)[nH]1 ZINC000925630923 646375942 /nfs/dbraw/zinc/37/59/42/646375942.db2.gz FJAWBNNUYUGZJE-SECBINFHSA-N 1 3 223.324 0.386 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](CO)[C@H]1CCOC1 ZINC000925656377 646394554 /nfs/dbraw/zinc/39/45/54/646394554.db2.gz NJNARIUYYAQZPA-RVMXOQNASA-N 1 3 242.363 0.362 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@H](CO)[C@@H]1CCOC1 ZINC000925656373 646395138 /nfs/dbraw/zinc/39/51/38/646395138.db2.gz NJNARIUYYAQZPA-LOWDOPEQSA-N 1 3 242.363 0.362 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686353 646412943 /nfs/dbraw/zinc/41/29/43/646412943.db2.gz UNXGRQFNXGKKBG-YTWAJWBKSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693827 646419386 /nfs/dbraw/zinc/41/93/86/646419386.db2.gz SGJKFXBDENCPDG-PYZHKEBXSA-N 1 3 210.321 0.628 20 0 BCADHO C1[C@@H]2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C[C@H]12 ZINC000925706270 646431452 /nfs/dbraw/zinc/43/14/52/646431452.db2.gz BVWFMQCJIVYJJM-NNYUYHANSA-N 1 3 210.321 0.753 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@@H](N)C23CCC3)C1 ZINC000925719719 646443992 /nfs/dbraw/zinc/44/39/92/646443992.db2.gz CCTHBUCJGSAIHR-IJLUTSLNSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925721011 646445778 /nfs/dbraw/zinc/44/57/78/646445778.db2.gz WMWXJFBXIFYCCR-KYXWUPHJSA-N 1 3 223.320 0.110 20 0 BCADHO Nc1ccnc(CN[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000925765779 646467072 /nfs/dbraw/zinc/46/70/72/646467072.db2.gz FHFWPGLLORQFSN-GHMZBOCLSA-N 1 3 206.293 0.633 20 0 BCADHO OC[C@@H](C[C@@H]1CCCO1)NC1CC[NH2+]CC1 ZINC000925768472 646468732 /nfs/dbraw/zinc/46/87/32/646468732.db2.gz VLJFRLLUQUBNBU-NEPJUHHUSA-N 1 3 228.336 0.258 20 0 BCADHO OC[C@@H](C[C@@H]1CCCO1)[NH2+]C1CCNCC1 ZINC000925768472 646468736 /nfs/dbraw/zinc/46/87/36/646468736.db2.gz VLJFRLLUQUBNBU-NEPJUHHUSA-N 1 3 228.336 0.258 20 0 BCADHO C[C@H](N[C@@H](CO)C[C@H]1CCCO1)C1C[NH2+]C1 ZINC000925767391 646469128 /nfs/dbraw/zinc/46/91/28/646469128.db2.gz OBQFDSZQHYVMNX-MVWJERBFSA-N 1 3 228.336 0.114 20 0 BCADHO C[C@H](N[C@@H](CO)C[C@@H]1CCCO1)C1C[NH2+]C1 ZINC000925767392 646469526 /nfs/dbraw/zinc/46/95/26/646469526.db2.gz OBQFDSZQHYVMNX-WCQGTBRESA-N 1 3 228.336 0.114 20 0 BCADHO Nc1ccnc(CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1 ZINC000925768777 646471484 /nfs/dbraw/zinc/47/14/84/646471484.db2.gz XCPCDNLSNCUPPJ-TUIFDTLZSA-N 1 3 244.342 0.750 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCOCCO ZINC000926120599 646577704 /nfs/dbraw/zinc/57/77/04/646577704.db2.gz FWKYKNKTUAXGSV-FUNVUKJBSA-N 1 3 242.363 0.315 20 0 BCADHO CCOC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000309061088 711586082 /nfs/dbraw/zinc/58/60/82/711586082.db2.gz VXTZSZSVAWWENH-WDEREUQCSA-N 1 3 216.325 0.055 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCC(C(N)=O)CC1 ZINC000396580111 711702292 /nfs/dbraw/zinc/70/22/92/711702292.db2.gz FAUQZFIVOIJVGK-WNYYMSAVSA-N 1 3 239.363 0.761 20 0 BCADHO CC[C@H](CN1CCOCC1)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000925819370 711755678 /nfs/dbraw/zinc/75/56/78/711755678.db2.gz AZZNTYNQSXUVSO-FRRDWIJNSA-N 1 3 243.395 0.813 20 0 BCADHO COC[C@@H](C[N@H+](C)C[C@@H](O)CN)C(C)C ZINC000721911785 711917545 /nfs/dbraw/zinc/91/75/45/711917545.db2.gz KKTWGOMPAIEYSZ-MNOVXSKESA-N 1 3 218.341 0.156 20 0 BCADHO COC[C@@H](C[N@@H+](C)C[C@@H](O)CN)C(C)C ZINC000721911785 711917547 /nfs/dbraw/zinc/91/75/47/711917547.db2.gz KKTWGOMPAIEYSZ-MNOVXSKESA-N 1 3 218.341 0.156 20 0 BCADHO CCN1CCC[C@H](NC(=O)C2CC([NH3+])C2)C1 ZINC000703500053 712077172 /nfs/dbraw/zinc/07/71/72/712077172.db2.gz CMCRPYCHMOTGMG-ILDUYXDCSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1CCN(C)C1)[NH2+]2 ZINC000709430433 712221697 /nfs/dbraw/zinc/22/16/97/712221697.db2.gz AJSODDFUPLXUCR-SJHCENCUSA-N 1 3 223.364 0.809 20 0 BCADHO CN(CCCOC(F)(F)F)C[C@@H](O)C[NH3+] ZINC000713399049 712459026 /nfs/dbraw/zinc/45/90/26/712459026.db2.gz UETSPDSJJNSYNB-ZETCQYMHSA-N 1 3 230.230 0.164 20 0 BCADHO C[C@@H](O)C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715490356 712522854 /nfs/dbraw/zinc/52/28/54/712522854.db2.gz JHFAJDWTFHBEPE-OUAUKWLOSA-N 1 3 200.326 0.830 20 0 BCADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896462 712876952 /nfs/dbraw/zinc/87/69/52/712876952.db2.gz DGHKLVVFSITYJB-ZJUUUORDSA-N 1 3 225.336 0.419 20 0 BCADHO COC(=O)CCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381533283 710651377 /nfs/dbraw/zinc/65/13/77/710651377.db2.gz FRYVSYSUQAVBKB-WDEREUQCSA-N 1 3 226.320 0.433 20 0 BCADHO COC(=O)CCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000381533283 710651381 /nfs/dbraw/zinc/65/13/81/710651381.db2.gz FRYVSYSUQAVBKB-WDEREUQCSA-N 1 3 226.320 0.433 20 0 BCADHO C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CO ZINC000382923936 710974410 /nfs/dbraw/zinc/97/44/10/710974410.db2.gz SUMWKYOZAARMJQ-FRRDWIJNSA-N 1 3 242.363 0.146 20 0 BCADHO [NH3+][C@@H](CC(F)F)CN1CCN(CC2CC2)CC1 ZINC000383338854 710979936 /nfs/dbraw/zinc/97/99/36/710979936.db2.gz JRQBKTWCSWNVHW-NSHDSACASA-N 1 3 247.333 0.997 20 0 BCADHO COCC(COC)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000384891220 710999293 /nfs/dbraw/zinc/99/92/93/710999293.db2.gz YFGQFOJTPZQPNT-MNOVXSKESA-N 1 3 230.352 0.707 20 0 BCADHO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)C(C)(C)C)C[C@H]21 ZINC000385107509 711006117 /nfs/dbraw/zinc/00/61/17/711006117.db2.gz IPACCNHLIVBTLG-KXNHARMFSA-N 1 3 226.364 0.885 20 0 BCADHO CC[C@H]1CN(C[C@H](O)COC)CC[C@@H]1[NH3+] ZINC000147531383 711015256 /nfs/dbraw/zinc/01/52/56/711015256.db2.gz BXYXYMQGJFHTTF-DCAQKATOSA-N 1 3 216.325 0.053 20 0 BCADHO CNC(=O)CN(C)CCCCCC[NH3+] ZINC000389270569 711074604 /nfs/dbraw/zinc/07/46/04/711074604.db2.gz LLULCPYCVANUGD-UHFFFAOYSA-N 1 3 201.314 0.183 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)CC2CC2)C1 ZINC000389664468 711085619 /nfs/dbraw/zinc/08/56/19/711085619.db2.gz STKMIYKSQJWWQN-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)CC2CC2)C1 ZINC000389664468 711085621 /nfs/dbraw/zinc/08/56/21/711085621.db2.gz STKMIYKSQJWWQN-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)CN(C)C ZINC000390299725 711111900 /nfs/dbraw/zinc/11/19/00/711111900.db2.gz CBAATHGAYAVCPX-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)(C)[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000393977327 711180447 /nfs/dbraw/zinc/18/04/47/711180447.db2.gz XTNFHIWPDWMYRZ-NWDGAFQWSA-N 1 3 244.379 0.440 20 0 BCADHO CC(C)(C)[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000393977324 711180640 /nfs/dbraw/zinc/18/06/40/711180640.db2.gz XTNFHIWPDWMYRZ-NEPJUHHUSA-N 1 3 244.379 0.440 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CC[C@@H](O)C1 ZINC000396575726 711355854 /nfs/dbraw/zinc/35/58/54/711355854.db2.gz CGVXGBGBNDYMMC-QCNOEVLYSA-N 1 3 212.337 0.878 20 0 BCADHO CC[C@H](CCO)N[C@H]1CCC[NH2+][C@H]1C ZINC000396562489 711356052 /nfs/dbraw/zinc/35/60/52/711356052.db2.gz ILUMXSWYJNOZEQ-AXFHLTTASA-N 1 3 200.326 0.878 20 0 BCADHO C[C@H](CCO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000396591284 711356573 /nfs/dbraw/zinc/35/65/73/711356573.db2.gz TZNWWCNRHAXCTD-MXWKQRLJSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@H](CCO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000396591286 711357164 /nfs/dbraw/zinc/35/71/64/711357164.db2.gz TZNWWCNRHAXCTD-OUAUKWLOSA-N 1 3 200.326 0.735 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCN1CCCC1 ZINC000396587940 711357514 /nfs/dbraw/zinc/35/75/14/711357514.db2.gz IIKCTHZRXHPHSO-RYUDHWBXSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCCN1C ZINC000396604263 711358989 /nfs/dbraw/zinc/35/89/89/711358989.db2.gz OIMJNYSNROIZNQ-SRVKXCTJSA-N 1 3 211.353 0.811 20 0 BCADHO COC[C@H](CCO)[NH2+][C@H]1CCCN[C@@H]1C ZINC000396619001 711360363 /nfs/dbraw/zinc/36/03/63/711360363.db2.gz HDGHYGPRFSETJM-VWYCJHECSA-N 1 3 216.325 0.114 20 0 BCADHO CO[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397661659 711387355 /nfs/dbraw/zinc/38/73/55/711387355.db2.gz DESIQRQHTPWRAH-VXGBXAGGSA-N 1 3 242.363 0.600 20 0 BCADHO CO[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000397661653 711387769 /nfs/dbraw/zinc/38/77/69/711387769.db2.gz DESIQRQHTPWRAH-NWDGAFQWSA-N 1 3 242.363 0.600 20 0 BCADHO CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044958178 710833787 /nfs/dbraw/zinc/83/37/87/710833787.db2.gz GELJEKLHAHWJQL-NWDGAFQWSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045312086 710837154 /nfs/dbraw/zinc/83/71/54/710837154.db2.gz WAVVBSWIXJGMGI-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO CNC(=O)CCCN[C@@H]1CCC[NH2+][C@H]1C ZINC000398310751 711407742 /nfs/dbraw/zinc/40/77/42/711407742.db2.gz LBHPFQZHILSKLH-VHSXEESVSA-N 1 3 213.325 0.243 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000724562131 711592626 /nfs/dbraw/zinc/59/26/26/711592626.db2.gz FXZOGYNXHQNRFT-QWQWKMKNSA-N 1 3 240.347 0.459 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724621140 711600185 /nfs/dbraw/zinc/60/01/85/711600185.db2.gz RLVOULOZRLTGRY-HGCLJGPKSA-N 1 3 240.347 0.506 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724621140 711600187 /nfs/dbraw/zinc/60/01/87/711600187.db2.gz RLVOULOZRLTGRY-HGCLJGPKSA-N 1 3 240.347 0.506 20 0 BCADHO CN(CCO[C@H]1CCOC1)CC(C)(C)C[NH3+] ZINC000724921820 711628585 /nfs/dbraw/zinc/62/85/85/711628585.db2.gz NHSONHHTXHJTLE-NSHDSACASA-N 1 3 230.352 0.709 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(N)=O)CC1 ZINC000721040326 711687504 /nfs/dbraw/zinc/68/75/04/711687504.db2.gz QUFDTWDSICRCGI-KOLCDFICSA-N 1 3 225.336 0.039 20 0 BCADHO CCOCCOCCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925875547 711761647 /nfs/dbraw/zinc/76/16/47/711761647.db2.gz UMIUSYQXXLPSFQ-RYUDHWBXSA-N 1 3 242.363 0.899 20 0 BCADHO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)nc(N)n1 ZINC000708458410 712195008 /nfs/dbraw/zinc/19/50/08/712195008.db2.gz MYVXPGNCPWZEMB-SNVBAGLBSA-N 1 3 235.335 0.755 20 0 BCADHO CO[C@H]1C[C@@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000708695439 712196956 /nfs/dbraw/zinc/19/69/56/712196956.db2.gz GJXSTCCYDKYBBZ-ISCIKXKRSA-N 1 3 236.359 0.997 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000710868837 712259987 /nfs/dbraw/zinc/25/99/87/712259987.db2.gz DPDJHYZWLALFHX-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1COC[C@@H]1N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000710965444 712269974 /nfs/dbraw/zinc/26/99/74/712269974.db2.gz VDFPCTRYMWNRPW-RCWTZXSCSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000710965444 712269976 /nfs/dbraw/zinc/26/99/76/712269976.db2.gz VDFPCTRYMWNRPW-RCWTZXSCSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@H+](CCn2cnnn2)[C@@H]1C ZINC000712613147 712437949 /nfs/dbraw/zinc/43/79/49/712437949.db2.gz ACBCTHYVRXAICJ-GMTAPVOTSA-N 1 3 238.339 0.121 20 0 BCADHO C[C@@H]1CC[C@H](CN)[N@@H+](CCn2cnnn2)[C@@H]1C ZINC000712613147 712437950 /nfs/dbraw/zinc/43/79/50/712437950.db2.gz ACBCTHYVRXAICJ-GMTAPVOTSA-N 1 3 238.339 0.121 20 0 BCADHO C[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712667794 712439961 /nfs/dbraw/zinc/43/99/61/712439961.db2.gz DBQVSXHNZXIMHB-VIFPVBQESA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712667794 712439962 /nfs/dbraw/zinc/43/99/62/712439962.db2.gz DBQVSXHNZXIMHB-VIFPVBQESA-N 1 3 213.325 0.276 20 0 BCADHO C[N@@H+]1CCN(C(=O)CNC2CC2)CCC1(C)C ZINC000712670012 712440369 /nfs/dbraw/zinc/44/03/69/712440369.db2.gz WEZNXTQRLZPKGD-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[N@H+]1CCN(C(=O)CNC2CC2)CCC1(C)C ZINC000712670012 712440370 /nfs/dbraw/zinc/44/03/70/712440370.db2.gz WEZNXTQRLZPKGD-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CN1CCN(C(=O)C[NH2+]C2CC2)CCC1(C)C ZINC000712670012 712440373 /nfs/dbraw/zinc/44/03/73/712440373.db2.gz WEZNXTQRLZPKGD-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712670106 712440534 /nfs/dbraw/zinc/44/05/34/712440534.db2.gz XWGIBTDMFVIPEY-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712670106 712440535 /nfs/dbraw/zinc/44/05/35/712440535.db2.gz XWGIBTDMFVIPEY-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712670106 712440536 /nfs/dbraw/zinc/44/05/36/712440536.db2.gz XWGIBTDMFVIPEY-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713227366 712455645 /nfs/dbraw/zinc/45/56/45/712455645.db2.gz WHERROYHSMIWCR-XZUYRWCXSA-N 1 3 237.347 0.324 20 0 BCADHO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)CN ZINC000714848087 712501772 /nfs/dbraw/zinc/50/17/72/712501772.db2.gz OSQDRJORONGQFM-WOPDTQHZSA-N 1 3 212.337 0.674 20 0 BCADHO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)CN ZINC000714848087 712501773 /nfs/dbraw/zinc/50/17/73/712501773.db2.gz OSQDRJORONGQFM-WOPDTQHZSA-N 1 3 212.337 0.674 20 0 BCADHO CN(CC[C@@H]1C[C@H]1C1CC1)C[C@@H](O)C[NH3+] ZINC000714848087 712501774 /nfs/dbraw/zinc/50/17/74/712501774.db2.gz OSQDRJORONGQFM-WOPDTQHZSA-N 1 3 212.337 0.674 20 0 BCADHO Cc1cn[nH]c1CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000716454120 712561951 /nfs/dbraw/zinc/56/19/51/712561951.db2.gz VAYXMWBKZBVKIU-UWVGGRQHSA-N 1 3 208.309 0.934 20 0 BCADHO CC1(CN[C@@H]2CCC[C@@H]([NH3+])C2)OCCO1 ZINC000716819647 712576910 /nfs/dbraw/zinc/57/69/10/712576910.db2.gz NUHVFPKZMZHNCL-NXEZZACHSA-N 1 3 214.309 0.609 20 0 BCADHO COCC(COC)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000384910211 712704787 /nfs/dbraw/zinc/70/47/87/712704787.db2.gz DEEOMFLBUPLJHR-ZJUUUORDSA-N 1 3 216.325 0.317 20 0 BCADHO CC[C@H]1C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000717973175 712735797 /nfs/dbraw/zinc/73/57/97/712735797.db2.gz DNMWOKHXXWJMMF-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO NC(=O)CC1CC(N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000718554178 712769287 /nfs/dbraw/zinc/76/92/87/712769287.db2.gz STNYQWITBKZZHO-LXKPXOPUSA-N 1 3 237.347 0.500 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)[NH+]1CCCCC1 ZINC000038029467 712800373 /nfs/dbraw/zinc/80/03/73/712800373.db2.gz ACBMTIJIOPACQO-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]1[C@@H](NC[C@H](O)C[NH+]2CCCC2)CCN1C ZINC000719640687 712818818 /nfs/dbraw/zinc/81/88/18/712818818.db2.gz KYFVFYGXQDJKKD-AGIUHOORSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[NH2+]1 ZINC000720903836 712875086 /nfs/dbraw/zinc/87/50/86/712875086.db2.gz VVXRJURUSZHLFI-WOPDTQHZSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904084 712875952 /nfs/dbraw/zinc/87/59/52/712875952.db2.gz WOYQZWDYQAPBGX-VXGBXAGGSA-N 1 3 237.347 0.434 20 0 BCADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C[NH2+]C1CC1 ZINC000720904083 712876142 /nfs/dbraw/zinc/87/61/42/712876142.db2.gz WOYQZWDYQAPBGX-RYUDHWBXSA-N 1 3 237.347 0.434 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H]1NCC1(C)C ZINC000649276635 398135532 /nfs/dbraw/zinc/13/55/32/398135532.db2.gz UUEBTDGIKXSCPI-LLVKDONJSA-N 1 3 241.379 0.833 20 0 BCADHO CCN(CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000649318484 398141826 /nfs/dbraw/zinc/14/18/26/398141826.db2.gz OPFBECAGFIRAIG-GDNZZTSVSA-N 1 3 237.347 0.052 20 0 BCADHO CCC(CC)(C[NH3+])C(=O)NCCN(C)C1CC1 ZINC000061995907 168321646 /nfs/dbraw/zinc/32/16/46/168321646.db2.gz FSURCMKAFXWDPQ-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C)C1CC1 ZINC000649319491 398142729 /nfs/dbraw/zinc/14/27/29/398142729.db2.gz BRBOYJMQWVULKA-OHBODLIOSA-N 1 3 237.347 0.051 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NCCC[NH3+] ZINC000418350198 192026707 /nfs/dbraw/zinc/02/67/07/192026707.db2.gz LBRFRWSXVIJRNY-UHFFFAOYSA-N 1 3 230.356 0.317 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000062889455 349495145 /nfs/dbraw/zinc/49/51/45/349495145.db2.gz SJCAHVFPEPQXLA-DGCLKSJQSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CCN1C ZINC000649333345 398150045 /nfs/dbraw/zinc/15/00/45/398150045.db2.gz NQNHGZLCUPKNKP-LVEVGFFFSA-N 1 3 237.347 0.051 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000649335038 398152134 /nfs/dbraw/zinc/15/21/34/398152134.db2.gz AJWOPASRQJASKX-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)[NH3+])N(CC)CC ZINC000649359829 398171844 /nfs/dbraw/zinc/17/18/44/398171844.db2.gz FAYPPYYHYICXGL-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)CN(CC[C@H]1CC[NH2+]C1)CC(N)=O ZINC000396740385 398167198 /nfs/dbraw/zinc/16/71/98/398167198.db2.gz OWMSCBRZKHVKIC-LLVKDONJSA-N 1 3 227.352 0.429 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366493857 398167385 /nfs/dbraw/zinc/16/73/85/398167385.db2.gz BDPVJKYQXLQYDU-VWYCJHECSA-N 1 3 225.336 0.324 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649375063 398187524 /nfs/dbraw/zinc/18/75/24/398187524.db2.gz LYLRMBHSCFANIC-GDNZZTSVSA-N 1 3 239.363 0.252 20 0 BCADHO CNCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000083884186 398187638 /nfs/dbraw/zinc/18/76/38/398187638.db2.gz SBRKKMVOOYPUJI-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000336746187 398188257 /nfs/dbraw/zinc/18/82/57/398188257.db2.gz RECZLESZQVFPKN-IVZWLZJFSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000576228256 365529440 /nfs/dbraw/zinc/52/94/40/365529440.db2.gz CVRJMLBFWIQYJT-MXWKQRLJSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H](N)CC(F)F)C1 ZINC000576230839 365531348 /nfs/dbraw/zinc/53/13/48/365531348.db2.gz PUYBNMRNVPZTRZ-DTWKUNHWSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H](N)CC(F)F)C1 ZINC000576230839 365531351 /nfs/dbraw/zinc/53/13/51/365531351.db2.gz PUYBNMRNVPZTRZ-DTWKUNHWSA-N 1 3 249.305 0.427 20 0 BCADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncnn1C ZINC000647795787 398194488 /nfs/dbraw/zinc/19/44/88/398194488.db2.gz WDNLUYIYVNEHOW-FIQHERPVSA-N 1 3 249.362 0.854 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000390669965 398200947 /nfs/dbraw/zinc/20/09/47/398200947.db2.gz SOUCXRMSIYXURL-ONGXEEELSA-N 1 3 225.336 0.134 20 0 BCADHO C[C@@H](C(=O)N1CCC[C@H](N(C)C)C1)C1C[NH2+]C1 ZINC000164624995 398209263 /nfs/dbraw/zinc/20/92/63/398209263.db2.gz NCWAWMUEDQAAQF-PWSUYJOCSA-N 1 3 239.363 0.395 20 0 BCADHO CNCc1cccc(NC(=O)CC[NH2+]C)c1 ZINC000576278248 365548333 /nfs/dbraw/zinc/54/83/33/365548333.db2.gz UULNHZADBBHKKD-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382948113 398205939 /nfs/dbraw/zinc/20/59/39/398205939.db2.gz KVJLGYPCAOBRGN-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)N(C)C ZINC000576280346 365549511 /nfs/dbraw/zinc/54/95/11/365549511.db2.gz NFYKZVIHNQHGAZ-NSHDSACASA-N 1 3 215.341 0.428 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000192105901 136220953 /nfs/dbraw/zinc/22/09/53/136220953.db2.gz WANAKIFZQQNHHY-GHMZBOCLSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418396191 192032913 /nfs/dbraw/zinc/03/29/13/192032913.db2.gz ZKYUDCXILVGZJN-NSHDSACASA-N 1 3 242.367 0.330 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)NC(C)(C)CN(C)C ZINC000418386447 192031507 /nfs/dbraw/zinc/03/15/07/192031507.db2.gz LQPNHHZZTKRLDV-SNVBAGLBSA-N 1 3 244.383 0.481 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)CCN1C ZINC000132972987 398232177 /nfs/dbraw/zinc/23/21/77/398232177.db2.gz OQVMXYUGNLLGJF-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418405261 192033657 /nfs/dbraw/zinc/03/36/57/192033657.db2.gz KWENVCSMPPGBJN-OUAUKWLOSA-N 1 3 242.367 0.362 20 0 BCADHO CCN1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000092630018 398235570 /nfs/dbraw/zinc/23/55/70/398235570.db2.gz KGMQEKAFIZDBLW-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000576463481 365602507 /nfs/dbraw/zinc/60/25/07/365602507.db2.gz SBVYTCNIRLKRCC-GARJFASQSA-N 1 3 239.363 0.631 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000576516459 365614591 /nfs/dbraw/zinc/61/45/91/365614591.db2.gz CTODWBIGLVNCJJ-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000576516460 365614817 /nfs/dbraw/zinc/61/48/17/365614817.db2.gz CTODWBIGLVNCJJ-WDEREUQCSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CCN(C2CC2)CC1 ZINC000134102665 398240579 /nfs/dbraw/zinc/24/05/79/398240579.db2.gz QYEVCICQNHDDPN-NXEZZACHSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000381282194 398247696 /nfs/dbraw/zinc/24/76/96/398247696.db2.gz YMWJYKWQLNLLLK-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO CO[C@H](C[NH3+])CC(=O)Nc1ccc2c(c1)CNC2 ZINC000576635882 365645112 /nfs/dbraw/zinc/64/51/12/365645112.db2.gz ICHLBZJKVCLLIJ-LBPRGKRZSA-N 1 3 249.314 0.592 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)CC(C)C)C1 ZINC000381305313 398253220 /nfs/dbraw/zinc/25/32/20/398253220.db2.gz JRMBQCPCBDCADV-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H]1CCC[C@@]1(C)CO ZINC000576644438 365647916 /nfs/dbraw/zinc/64/79/16/365647916.db2.gz FUZHMGNNXHJVHF-AGIUHOORSA-N 1 3 244.379 0.440 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H]1CCC[C@@]1(C)CO ZINC000576644438 365647918 /nfs/dbraw/zinc/64/79/18/365647918.db2.gz FUZHMGNNXHJVHF-AGIUHOORSA-N 1 3 244.379 0.440 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000381492870 398257205 /nfs/dbraw/zinc/25/72/05/398257205.db2.gz YWEZJXWSJPGVPV-KXUCPTDWSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000576701627 365663457 /nfs/dbraw/zinc/66/34/57/365663457.db2.gz LDNWKMHRUQEXEM-BDAKNGLRSA-N 1 3 213.325 0.371 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN1CC[C@@H](C)C1 ZINC000576707466 365665705 /nfs/dbraw/zinc/66/57/05/365665705.db2.gz PHUUBPDOMUWFTJ-GFCCVEGCSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NC[C@H](C)C[NH3+] ZINC000418468342 192038254 /nfs/dbraw/zinc/03/82/54/192038254.db2.gz JAZWQWXXLRNMDG-LLVKDONJSA-N 1 3 244.383 0.563 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1NCC1(C)C ZINC000381566317 398264128 /nfs/dbraw/zinc/26/41/28/398264128.db2.gz SQIZFXIZKCUPOT-BDAKNGLRSA-N 1 3 213.325 0.084 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000130529863 398269320 /nfs/dbraw/zinc/26/93/20/398269320.db2.gz NOBNJLNNGAMAKA-GARJFASQSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CCSC ZINC000602544551 349588810 /nfs/dbraw/zinc/58/88/10/349588810.db2.gz LLTKRJOCVWFHFS-KXUCPTDWSA-N 1 3 245.392 0.324 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000335388717 136235002 /nfs/dbraw/zinc/23/50/02/136235002.db2.gz KJZGAAWFPDHKSM-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000334925561 398274115 /nfs/dbraw/zinc/27/41/15/398274115.db2.gz LPKCEHZERVMQOS-MNOVXSKESA-N 1 3 240.351 0.084 20 0 BCADHO CCC[NH2+]CCNC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000418489280 192041959 /nfs/dbraw/zinc/04/19/59/192041959.db2.gz NCIOLSZJTNLBIE-QWRGUYRKSA-N 1 3 242.367 0.378 20 0 BCADHO O[C@H](CN[C@H]1CCSC1)C[NH+]1CCCC1 ZINC000166814038 361857676 /nfs/dbraw/zinc/85/76/76/361857676.db2.gz UXLPJMGKDSMZBV-WDEREUQCSA-N 1 3 230.377 0.538 20 0 BCADHO CCC[NH2+]CCNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418493549 192042310 /nfs/dbraw/zinc/04/23/10/192042310.db2.gz YSHKHDJSAKCTOU-WDEREUQCSA-N 1 3 242.367 0.378 20 0 BCADHO [NH3+]CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000335606321 136236333 /nfs/dbraw/zinc/23/63/33/136236333.db2.gz MZZDDEKBKFYKSZ-NSHDSACASA-N 1 3 240.351 0.215 20 0 BCADHO CC(C)NCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000583946028 342730789 /nfs/dbraw/zinc/73/07/89/342730789.db2.gz NKLKNJYNTLIBBB-SNVBAGLBSA-N 1 3 213.325 0.243 20 0 BCADHO C[C@H](CNC(=O)N(C)CCC[NH3+])N(C)C1CC1 ZINC000580293108 346861157 /nfs/dbraw/zinc/86/11/57/346861157.db2.gz BOUTYLLSOYGPNZ-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N(C)CCN1CCCC1 ZINC000418500839 192043920 /nfs/dbraw/zinc/04/39/20/192043920.db2.gz ZOYIEUGJVFXYPD-NSHDSACASA-N 1 3 242.367 0.318 20 0 BCADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH+](C)C ZINC000630019138 361901122 /nfs/dbraw/zinc/90/11/22/361901122.db2.gz SZENQRNAHXDOTH-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN2CCC1CC2 ZINC000335464334 398288764 /nfs/dbraw/zinc/28/87/64/398288764.db2.gz PQKLULLWKZDSDP-TZMCWYRMSA-N 1 3 249.358 0.293 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCNC(C)(C)C2)C1 ZINC000335621916 136239858 /nfs/dbraw/zinc/23/98/58/136239858.db2.gz CAXPFVUSIMEODD-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCNC(C)(C)C1 ZINC000335621942 136240149 /nfs/dbraw/zinc/24/01/49/136240149.db2.gz CMNGCOSXDYTLKJ-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N(C)CCN1CCCC1 ZINC000418517457 192046321 /nfs/dbraw/zinc/04/63/21/192046321.db2.gz DLCJHZHQVGJJMN-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CCN(CC)CCC[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000191895268 538993440 /nfs/dbraw/zinc/99/34/40/538993440.db2.gz FPABELPOAZCBPY-QWHCGFSZSA-N 1 3 246.395 0.782 20 0 BCADHO CCN(CC)CCC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000191895268 538993441 /nfs/dbraw/zinc/99/34/41/538993441.db2.gz FPABELPOAZCBPY-QWHCGFSZSA-N 1 3 246.395 0.782 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N(C)CCN1CCCC1 ZINC000418517155 192045977 /nfs/dbraw/zinc/04/59/77/192045977.db2.gz DLCJHZHQVGJJMN-LLVKDONJSA-N 1 3 242.367 0.461 20 0 BCADHO COCC(C)(C)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000379982911 538983322 /nfs/dbraw/zinc/98/33/22/538983322.db2.gz IKEBTPXFPMIZBI-QWRGUYRKSA-N 1 3 212.337 0.810 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCNC(C)(C)C1 ZINC000335628243 136241319 /nfs/dbraw/zinc/24/13/19/136241319.db2.gz ZEJFGJNAILEDNU-IUCAKERBSA-N 1 3 213.325 0.180 20 0 BCADHO NC1(C(=O)N2CCC3(CC[NH2+]3)CC2)CCCC1 ZINC000335634328 136241934 /nfs/dbraw/zinc/24/19/34/136241934.db2.gz ZEZDJKBUPFNKTL-UHFFFAOYSA-N 1 3 237.347 0.612 20 0 BCADHO CN(C)CCN(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418558912 192050213 /nfs/dbraw/zinc/05/02/13/192050213.db2.gz CDCMYDDMGKLORP-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO CN(C)CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418572182 192052202 /nfs/dbraw/zinc/05/22/02/192052202.db2.gz SHKLPYXZDVJACZ-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO C[NH+]1CCC2(CCN(Cc3c[nH]nn3)C2)CC1 ZINC000639756431 398326070 /nfs/dbraw/zinc/32/60/70/398326070.db2.gz VEHNHYHAXGZQKZ-UHFFFAOYSA-N 1 3 235.335 0.722 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023805 342916425 /nfs/dbraw/zinc/91/64/25/342916425.db2.gz SZPAPAYGOCOIHD-LPEHRKFASA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023805 342916426 /nfs/dbraw/zinc/91/64/26/342916426.db2.gz SZPAPAYGOCOIHD-LPEHRKFASA-N 1 3 211.309 0.077 20 0 BCADHO CN(C)CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418572183 192052039 /nfs/dbraw/zinc/05/20/39/192052039.db2.gz SHKLPYXZDVJACZ-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO [NH3+]C1(C(=O)Nc2cnc3c(c2)CNCC3)CCC1 ZINC000648106693 398327271 /nfs/dbraw/zinc/32/72/71/398327271.db2.gz NJDURCZLOAEKLM-UHFFFAOYSA-N 1 3 246.314 0.547 20 0 BCADHO C[C@@H]1CN(C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1CO ZINC000351650488 136249125 /nfs/dbraw/zinc/24/91/25/136249125.db2.gz OUZKHVKZMJSGSF-MDZLAQPJSA-N 1 3 242.363 0.002 20 0 BCADHO C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1CO ZINC000351650488 136249126 /nfs/dbraw/zinc/24/91/26/136249126.db2.gz OUZKHVKZMJSGSF-MDZLAQPJSA-N 1 3 242.363 0.002 20 0 BCADHO CC(C)[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000167786520 488188029 /nfs/dbraw/zinc/18/80/29/488188029.db2.gz DIQPVAQWDDUPCS-LBPRGKRZSA-N 1 3 212.337 0.926 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418602710 192054826 /nfs/dbraw/zinc/05/48/26/192054826.db2.gz NUXPSJBYMLRSAL-OUAUKWLOSA-N 1 3 242.367 0.376 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCC[NH+](C)C ZINC000037481261 342937956 /nfs/dbraw/zinc/93/79/56/342937956.db2.gz QDVJUMFKMIOKBN-NSHDSACASA-N 1 3 215.341 0.572 20 0 BCADHO C[C@H](C(=O)NCC[NH3+])N1CCCCCC1 ZINC000237391623 398333873 /nfs/dbraw/zinc/33/38/73/398333873.db2.gz NYXFSUYLJGMNNG-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000580312930 346896836 /nfs/dbraw/zinc/89/68/36/346896836.db2.gz PBDNUUOFFOUJLK-MMWGEVLESA-N 1 3 227.352 0.603 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351856800 136258161 /nfs/dbraw/zinc/25/81/61/136258161.db2.gz WKXDBNUEMFNMKP-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO COC[C@H](C)CN(C)C1CC[NH2+]CC1 ZINC000308510938 259340048 /nfs/dbraw/zinc/34/00/48/259340048.db2.gz KUIAIYWSZZIUFT-SNVBAGLBSA-N 1 3 200.326 0.953 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000518345597 259339587 /nfs/dbraw/zinc/33/95/87/259339587.db2.gz LWYVKVFUQAIRQO-YNEHKIRRSA-N 1 3 247.342 0.596 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000050456584 343021966 /nfs/dbraw/zinc/02/19/66/343021966.db2.gz NIWCMYWJJLEFMT-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO NC(C(=O)N1CCC[C@H](C[NH3+])C1)C(F)(F)F ZINC000336003907 136263401 /nfs/dbraw/zinc/26/34/01/136263401.db2.gz YVRXXYHCWCBIKD-RNFRBKRXSA-N 1 3 239.241 0.073 20 0 BCADHO CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000224046731 259345007 /nfs/dbraw/zinc/34/50/07/259345007.db2.gz OQQQKSNVYKXHSN-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](CN)c1ccccc1 ZINC000237075933 343121255 /nfs/dbraw/zinc/12/12/55/343121255.db2.gz ATOQIBKTABWNAX-LLVKDONJSA-N 1 3 221.304 0.065 20 0 BCADHO CCCN(C(=O)[C@@H](C)N)C1CC[NH2+]CC1 ZINC000236809211 343112967 /nfs/dbraw/zinc/11/29/67/343112967.db2.gz KRKUFXLYFAWMBK-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236888679 343113532 /nfs/dbraw/zinc/11/35/32/343113532.db2.gz YAQQAZLSDNSLLH-VWYCJHECSA-N 1 3 227.352 0.557 20 0 BCADHO CCC[C@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000236864627 343113568 /nfs/dbraw/zinc/11/35/68/343113568.db2.gz IIAQBNZFNSOVCI-IUCAKERBSA-N 1 3 201.314 0.086 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000236938702 343115749 /nfs/dbraw/zinc/11/57/49/343115749.db2.gz GRJVHGSTRUIJHY-MXWKQRLJSA-N 1 3 227.352 0.476 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)C(C)(C)N)CC1 ZINC000236990222 343117293 /nfs/dbraw/zinc/11/72/93/343117293.db2.gz BQZKZMCXJKDDOJ-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH2+]CC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000569692112 323037077 /nfs/dbraw/zinc/03/70/77/323037077.db2.gz YYDCIUSUADWWOA-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000370778925 343125729 /nfs/dbraw/zinc/12/57/29/343125729.db2.gz IMKVQKUGBBHIJA-JQWIXIFHSA-N 1 3 243.326 0.289 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000120575622 343126961 /nfs/dbraw/zinc/12/69/61/343126961.db2.gz ICHOFLCVMUKLSM-SNVBAGLBSA-N 1 3 227.352 0.476 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000237406950 343138228 /nfs/dbraw/zinc/13/82/28/343138228.db2.gz QKVXIASCOQQOPB-GARJFASQSA-N 1 3 241.379 0.946 20 0 BCADHO c1ccn2c(c1)nnc2CNCC1CC[NH2+]CC1 ZINC000094009621 343151918 /nfs/dbraw/zinc/15/19/18/343151918.db2.gz LMDHUUDOECDASF-UHFFFAOYSA-N 1 3 245.330 0.819 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000126466474 343170074 /nfs/dbraw/zinc/17/00/74/343170074.db2.gz YJWSOEKJMZMPQH-GRYCIOLGSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000126466474 343170075 /nfs/dbraw/zinc/17/00/75/343170075.db2.gz YJWSOEKJMZMPQH-GRYCIOLGSA-N 1 3 239.363 0.442 20 0 BCADHO [NH3+]C1(CC(=O)NCCN2CCCC2)CC1 ZINC000398061903 488206317 /nfs/dbraw/zinc/20/63/17/488206317.db2.gz HOHBZCLFQMEXGP-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CCCCCC1 ZINC000156740234 343198930 /nfs/dbraw/zinc/19/89/30/343198930.db2.gz KKXFUMLQMSVJDM-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CO[C@@H]1CC[N@H+](CCCF)[C@H](CN)C1 ZINC000159323715 343201806 /nfs/dbraw/zinc/20/18/06/343201806.db2.gz QOZAQORMZCDYCW-VHSXEESVSA-N 1 3 204.289 0.784 20 0 BCADHO CO[C@@H]1CC[N@@H+](CCCF)[C@H](CN)C1 ZINC000159323715 343201809 /nfs/dbraw/zinc/20/18/09/343201809.db2.gz QOZAQORMZCDYCW-VHSXEESVSA-N 1 3 204.289 0.784 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161019190 343204243 /nfs/dbraw/zinc/20/42/43/343204243.db2.gz IZAWSQWZDAUOGW-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](C(=O)NC[C@@H]1CCCN(C)C1)[C@H](C)[NH3+] ZINC000165391489 343211386 /nfs/dbraw/zinc/21/13/86/343211386.db2.gz JUDJUOCBIVYZMH-VWYCJHECSA-N 1 3 227.352 0.428 20 0 BCADHO N[C@H](CNC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000237959288 343220571 /nfs/dbraw/zinc/22/05/71/343220571.db2.gz FDXULIYFYJGCEQ-CYBMUJFWSA-N 1 3 247.342 0.802 20 0 BCADHO CCC[C@](C)(N)C(=O)N(C)CCC[NH2+]C ZINC000087471788 136281490 /nfs/dbraw/zinc/28/14/90/136281490.db2.gz QBZWUOWSPZRTBV-NSHDSACASA-N 1 3 215.341 0.572 20 0 BCADHO Cn1nccc1CCN[C@H](C[NH3+])C(C)(C)C ZINC000634687997 343245361 /nfs/dbraw/zinc/24/53/61/343245361.db2.gz FDCVPKBGOYSOII-LLVKDONJSA-N 1 3 224.352 0.926 20 0 BCADHO C[C@@H]1CC[C@H](C[NH2+]C2(CO)CCNCC2)O1 ZINC000634688309 343247104 /nfs/dbraw/zinc/24/71/04/343247104.db2.gz PBLYUSRGQZSHNI-GHMZBOCLSA-N 1 3 228.336 0.258 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000418703078 192062012 /nfs/dbraw/zinc/06/20/12/192062012.db2.gz BENWIVWUXIQQKN-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000418703080 192062094 /nfs/dbraw/zinc/06/20/94/192062094.db2.gz BENWIVWUXIQQKN-QWRGUYRKSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NC1CCN(C)CC1 ZINC000069839111 343292366 /nfs/dbraw/zinc/29/23/66/343292366.db2.gz KLPDCSAUXRTKOX-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN(C)C1CC1 ZINC000069840280 343292497 /nfs/dbraw/zinc/29/24/97/343292497.db2.gz WCJPFNHLONEAKM-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H](C)CN(C)C ZINC000584051625 343306799 /nfs/dbraw/zinc/30/67/99/343306799.db2.gz ITJGETIMAZNMRN-BBBLOLIVSA-N 1 3 230.356 0.362 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000335613221 136295538 /nfs/dbraw/zinc/29/55/38/136295538.db2.gz TWICHOCDOZZTIA-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000335626884 136299775 /nfs/dbraw/zinc/29/97/75/136299775.db2.gz KXUJQRXNHIROJY-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](N)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335638361 136303049 /nfs/dbraw/zinc/30/30/49/136303049.db2.gz KJBSXULNJMXPBQ-KOLCDFICSA-N 1 3 239.363 0.570 20 0 BCADHO O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CNCCC1(F)F ZINC000335652782 136305660 /nfs/dbraw/zinc/30/56/60/136305660.db2.gz BBBQZENWAVTRSK-BDAKNGLRSA-N 1 3 247.289 0.099 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000335658640 136307445 /nfs/dbraw/zinc/30/74/45/136307445.db2.gz AAPKITKLKQOXCC-QWRGUYRKSA-N 1 3 237.347 0.291 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000335658640 136307446 /nfs/dbraw/zinc/30/74/46/136307446.db2.gz AAPKITKLKQOXCC-QWRGUYRKSA-N 1 3 237.347 0.291 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCCC1 ZINC000335662258 136315325 /nfs/dbraw/zinc/31/53/25/136315325.db2.gz IFNAFCJNOQFLJO-GHMZBOCLSA-N 1 3 239.363 0.892 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000335662883 136315747 /nfs/dbraw/zinc/31/57/47/136315747.db2.gz POWSHCCYEDTQIO-JGZJWPJOSA-N 1 3 231.299 0.966 20 0 BCADHO C[N@H+](CCCO)CCCN1CCCC1 ZINC000196210217 346936228 /nfs/dbraw/zinc/93/62/28/346936228.db2.gz KSOHFHMLCPGCIZ-UHFFFAOYSA-N 1 3 200.326 0.787 20 0 BCADHO C[N@@H+](CCCO)CCCN1CCCC1 ZINC000196210217 346936231 /nfs/dbraw/zinc/93/62/31/346936231.db2.gz KSOHFHMLCPGCIZ-UHFFFAOYSA-N 1 3 200.326 0.787 20 0 BCADHO CCN1C[C@@H](C)[C@H]([NH2+]CCOCCN(C)C)C1 ZINC000349189140 136330931 /nfs/dbraw/zinc/33/09/31/136330931.db2.gz FEWZOYQLRVOSCX-CHWSQXEVSA-N 1 3 243.395 0.494 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335718450 136340312 /nfs/dbraw/zinc/34/03/12/136340312.db2.gz JTWXPUXKMXZDHF-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[N@@H+]1CC[C@H](CNCCC(N)=O)C1 ZINC000570037685 323047835 /nfs/dbraw/zinc/04/78/35/323047835.db2.gz VOCYBUZDYGAHAW-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CCC[N@H+]1CC[C@H](CNCCC(N)=O)C1 ZINC000570037685 323047836 /nfs/dbraw/zinc/04/78/36/323047836.db2.gz VOCYBUZDYGAHAW-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO CCCN1CC[C@H](C[NH2+]CCC(N)=O)C1 ZINC000570037685 323047837 /nfs/dbraw/zinc/04/78/37/323047837.db2.gz VOCYBUZDYGAHAW-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC000616489212 343475061 /nfs/dbraw/zinc/47/50/61/343475061.db2.gz RTAJQCKFFCHFBT-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO COC[C@H](C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000379941974 365756255 /nfs/dbraw/zinc/75/62/55/365756255.db2.gz ZEXVHYUWKDVWPG-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CC[NH+]1CCC(NC(=O)C2(N)CC2)CC1 ZINC000083835099 343503856 /nfs/dbraw/zinc/50/38/56/343503856.db2.gz JKFCNAXQHWRVHD-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CC(C)[C@@H](C(=O)N(C)CC1CN(C)C1)[NH+](C)C ZINC000618192173 343583040 /nfs/dbraw/zinc/58/30/40/343583040.db2.gz FJKLGSDUFVQQDB-LBPRGKRZSA-N 1 3 241.379 0.593 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)C1(N)CCC1 ZINC000088051036 343698197 /nfs/dbraw/zinc/69/81/97/343698197.db2.gz BVZWNPWQEHTCBN-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)C1(N)CCC1 ZINC000088051036 343698198 /nfs/dbraw/zinc/69/81/98/343698198.db2.gz BVZWNPWQEHTCBN-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)CNC1CC1 ZINC000153922339 343706033 /nfs/dbraw/zinc/70/60/33/343706033.db2.gz NPEWLLPBPWVEGZ-UHFFFAOYSA-N 1 3 213.325 0.372 20 0 BCADHO O=C(CNC1CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000153920766 343706281 /nfs/dbraw/zinc/70/62/81/343706281.db2.gz OSKAWNQSBDVEGU-SNVBAGLBSA-N 1 3 225.336 0.244 20 0 BCADHO CCO[C@@H]1C[C@@H]1N[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000576099225 343708157 /nfs/dbraw/zinc/70/81/57/343708157.db2.gz LHVYSLIYAJAWSB-PZWNZHSQSA-N 1 3 228.336 0.506 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)CN1CC[C@H](C)C1 ZINC000557633995 343715212 /nfs/dbraw/zinc/71/52/12/343715212.db2.gz QTKQBYXIDGRDLY-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO N[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCC1 ZINC000577059939 365797733 /nfs/dbraw/zinc/79/77/33/365797733.db2.gz DBKZXGPBVIVYTR-GRYCIOLGSA-N 1 3 237.347 0.467 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000178867142 346968198 /nfs/dbraw/zinc/96/81/98/346968198.db2.gz GXZMZFMCLFEAIP-GARJFASQSA-N 1 3 239.363 0.583 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(N)CCC1 ZINC000584231076 343775997 /nfs/dbraw/zinc/77/59/97/343775997.db2.gz WQTXTEVWBOZFLF-DTWKUNHWSA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418731260 192065393 /nfs/dbraw/zinc/06/53/93/192065393.db2.gz PTDMTUFHDTXSRB-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261972884 349857546 /nfs/dbraw/zinc/85/75/46/349857546.db2.gz UOVRGKJYXDANQZ-NWDGAFQWSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418738168 192065479 /nfs/dbraw/zinc/06/54/79/192065479.db2.gz WUSAVLIAKPMMAO-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@H]1CCCN(C)C1 ZINC000069840026 343943639 /nfs/dbraw/zinc/94/36/39/343943639.db2.gz KHXXMVWCDNFTLB-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]1CN(C(=O)C2(N)CCCC2)CC[C@@H]1[NH3+] ZINC000335892271 344044710 /nfs/dbraw/zinc/04/47/10/344044710.db2.gz CLYKYTMNVYXLMZ-UWVGGRQHSA-N 1 3 225.336 0.454 20 0 BCADHO CC[C@H](N)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232695 362285233 /nfs/dbraw/zinc/28/52/33/362285233.db2.gz JKEKRCDUKLFICK-JTQLQIEISA-N 1 3 223.324 0.688 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000129072227 343961885 /nfs/dbraw/zinc/96/18/85/343961885.db2.gz KOROXIAVZOAAGT-OPRDCNLKSA-N 1 3 213.325 0.452 20 0 BCADHO c1ncn(CCN2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000381185606 344133310 /nfs/dbraw/zinc/13/33/10/344133310.db2.gz MCMHJZSQFQQMAW-CYBMUJFWSA-N 1 3 249.362 0.742 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000130356092 344134358 /nfs/dbraw/zinc/13/43/58/344134358.db2.gz YUSDQYLSNVRRIO-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000130356092 344134361 /nfs/dbraw/zinc/13/43/61/344134361.db2.gz YUSDQYLSNVRRIO-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000130509446 344143287 /nfs/dbraw/zinc/14/32/87/344143287.db2.gz LUXVWMSKEUONJL-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000130509446 344143289 /nfs/dbraw/zinc/14/32/89/344143289.db2.gz LUXVWMSKEUONJL-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CN[C@H](C)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000570738711 323068832 /nfs/dbraw/zinc/06/88/32/323068832.db2.gz KYTMKUSYBVSMBA-ZJUUUORDSA-N 1 3 227.352 0.489 20 0 BCADHO [NH3+]Cc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1 ZINC000131096901 344238968 /nfs/dbraw/zinc/23/89/68/344238968.db2.gz SQRXTQOQOHDIOD-GFCCVEGCSA-N 1 3 249.314 0.462 20 0 BCADHO C[C@@H]1C[C@H](NCCOCCO)CC[N@@H+]1C ZINC000129749031 344214373 /nfs/dbraw/zinc/21/43/73/344214373.db2.gz SXKWBEVMVLZQQE-GHMZBOCLSA-N 1 3 216.325 0.068 20 0 BCADHO C[C@@H]1C[C@H](NCCOCCO)CC[N@H+]1C ZINC000129749031 344214375 /nfs/dbraw/zinc/21/43/75/344214375.db2.gz SXKWBEVMVLZQQE-GHMZBOCLSA-N 1 3 216.325 0.068 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000130463893 344221956 /nfs/dbraw/zinc/22/19/56/344221956.db2.gz BHULJQABRSTKKV-WCBMZHEXSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000130463893 344221958 /nfs/dbraw/zinc/22/19/58/344221958.db2.gz BHULJQABRSTKKV-WCBMZHEXSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](N)CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000622045176 344230110 /nfs/dbraw/zinc/23/01/10/344230110.db2.gz FUEDOENLQNJRFQ-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634750141 344193062 /nfs/dbraw/zinc/19/30/62/344193062.db2.gz OEGBFHSZHDGHJQ-WCFLWFBJSA-N 1 3 239.363 0.428 20 0 BCADHO CCCN(C)CC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634768216 344280168 /nfs/dbraw/zinc/28/01/68/344280168.db2.gz ALVFKRYZJYNHHS-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000092137591 344289375 /nfs/dbraw/zinc/28/93/75/344289375.db2.gz MRXVSVFPOYNPPK-UTUOFQBUSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000573605422 344326406 /nfs/dbraw/zinc/32/64/06/344326406.db2.gz QNBQAFMDGFZTTL-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CCSC)C1 ZINC000131774647 344334156 /nfs/dbraw/zinc/33/41/56/344334156.db2.gz FHYGREVZVFTNOS-NXEZZACHSA-N 1 3 245.392 0.277 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)C(C)C ZINC000131816483 344334869 /nfs/dbraw/zinc/33/48/69/344334869.db2.gz LBTPUQWVCRZNHC-JTQLQIEISA-N 1 3 215.341 0.474 20 0 BCADHO CSCC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000131851134 344353151 /nfs/dbraw/zinc/35/31/51/344353151.db2.gz CVMQUVZGLISJAB-GUBZILKMSA-N 1 3 245.392 0.276 20 0 BCADHO COC(=O)CCCCNC1(CO)CC[NH2+]CC1 ZINC000600712144 344361781 /nfs/dbraw/zinc/36/17/81/344361781.db2.gz WZDBERXHNCSAFK-UHFFFAOYSA-N 1 3 244.335 0.034 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000131535387 344299234 /nfs/dbraw/zinc/29/92/34/344299234.db2.gz DLWBOECOZXNZAN-CHWSQXEVSA-N 1 3 247.342 0.377 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CCC[NH3+])CCN1C ZINC000132972143 344310120 /nfs/dbraw/zinc/31/01/20/344310120.db2.gz AITRGLNQLWBZBM-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000236789161 344403016 /nfs/dbraw/zinc/40/30/16/344403016.db2.gz CUHPAMXAUSNYCF-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000236789161 344403018 /nfs/dbraw/zinc/40/30/18/344403018.db2.gz CUHPAMXAUSNYCF-LLVKDONJSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000236826421 344406873 /nfs/dbraw/zinc/40/68/73/344406873.db2.gz ORIHFUPZTXAHHN-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CN(C[C@H](O)C[NH3+])CC1CCCCC1 ZINC000042492698 344455249 /nfs/dbraw/zinc/45/52/49/344455249.db2.gz RZHZBNNOUGMLQL-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO CCN1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000043327422 344489403 /nfs/dbraw/zinc/48/94/03/344489403.db2.gz AJGMAYAJTPBQSW-GFCCVEGCSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)C[NH3+])N(C)C ZINC000045108016 344558801 /nfs/dbraw/zinc/55/88/01/344558801.db2.gz PROBTVHUIHZLKD-MRVPVSSYSA-N 1 3 201.314 0.038 20 0 BCADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000037826225 344593493 /nfs/dbraw/zinc/59/34/93/344593493.db2.gz ZBBGEDIFJXLUGD-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@@H](N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000037826164 344593549 /nfs/dbraw/zinc/59/35/49/344593549.db2.gz DPNSYNAYWUKCBK-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H](C)[NH3+])C1 ZINC000641423670 362407894 /nfs/dbraw/zinc/40/78/94/362407894.db2.gz DNRIWVRFLPEXGX-GHMZBOCLSA-N 1 3 242.367 0.458 20 0 BCADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H](C)[NH3+])C1 ZINC000641423673 362408075 /nfs/dbraw/zinc/40/80/75/362408075.db2.gz DNRIWVRFLPEXGX-WDEREUQCSA-N 1 3 242.367 0.458 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C[NH2+]C ZINC000237066940 344587946 /nfs/dbraw/zinc/58/79/46/344587946.db2.gz OQJPNVZWFPXKID-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CNC1CC1 ZINC000309426960 347059923 /nfs/dbraw/zinc/05/99/23/347059923.db2.gz KLGBQOKYNLBZCJ-IUCAKERBSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000574204924 344708046 /nfs/dbraw/zinc/70/80/46/344708046.db2.gz KVVDKKZURRYZIL-MXWKQRLJSA-N 1 3 225.336 0.324 20 0 BCADHO CN1CCC(O)(C[NH2+]C2CCSCC2)CC1 ZINC000077450534 344824669 /nfs/dbraw/zinc/82/46/69/344824669.db2.gz UYJFGSGOQZCLRG-UHFFFAOYSA-N 1 3 244.404 0.928 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)Nc2cnc3c(c2)CNCC3)C1 ZINC000648107129 537866193 /nfs/dbraw/zinc/86/61/93/537866193.db2.gz ZRYUPQLGRNIKQR-WAAGHKOSSA-N 1 3 246.314 0.403 20 0 BCADHO CC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000563014474 323079916 /nfs/dbraw/zinc/07/99/16/323079916.db2.gz WTEWEVHOTQBGRR-PWSUYJOCSA-N 1 3 212.337 0.997 20 0 BCADHO CO[C@H](CN)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000574683968 344959030 /nfs/dbraw/zinc/95/90/30/344959030.db2.gz PVULTBSSIUFGGD-GFCCVEGCSA-N 1 3 249.314 0.245 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000583447994 344993350 /nfs/dbraw/zinc/99/33/50/344993350.db2.gz TYCOFNCKZBHBFV-AKJDGMEZSA-N 1 3 239.363 0.700 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CC2(O)CCOCC2)C1 ZINC000153900917 344998687 /nfs/dbraw/zinc/99/86/87/344998687.db2.gz KBEBHGXFKRDLLB-GFCCVEGCSA-N 1 3 242.363 0.411 20 0 BCADHO CC(C)[C@@H](C)NC[C@H]1C[NH2+]CCCO1 ZINC000319009603 259381837 /nfs/dbraw/zinc/38/18/37/259381837.db2.gz OXNVPPGTRIDUQM-GHMZBOCLSA-N 1 3 200.326 0.999 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)CN(C)C(C)C ZINC000154418571 345034665 /nfs/dbraw/zinc/03/46/65/345034665.db2.gz SQCUOUGCCCKCKH-UHFFFAOYSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N(C)C ZINC000044428439 345061613 /nfs/dbraw/zinc/06/16/13/345061613.db2.gz PKPAKTWPIZXGLS-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@H+](CC)C1CC1 ZINC000155692552 345096898 /nfs/dbraw/zinc/09/68/98/345096898.db2.gz RGZVHDIDRCORHI-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000155692552 345096900 /nfs/dbraw/zinc/09/69/00/345096900.db2.gz RGZVHDIDRCORHI-JQWIXIFHSA-N 1 3 241.379 0.960 20 0 BCADHO COC[C@H](C)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000151000348 345165093 /nfs/dbraw/zinc/16/50/93/345165093.db2.gz QEHUXXWSAHYMOI-LBPRGKRZSA-N 1 3 243.395 0.637 20 0 BCADHO CC1([NH2+]CC23CC(C2)CN3)CCOCC1 ZINC000634993442 345190403 /nfs/dbraw/zinc/19/04/03/345190403.db2.gz UUWCPHXEAMBDSK-UHFFFAOYSA-N 1 3 210.321 0.897 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000310483928 259383001 /nfs/dbraw/zinc/38/30/01/259383001.db2.gz DNZRNGMKVKKVCT-IJLUTSLNSA-N 1 3 244.379 0.702 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1C[C@@H](OC)C1(C)C ZINC000310483928 259383002 /nfs/dbraw/zinc/38/30/02/259383002.db2.gz DNZRNGMKVKKVCT-IJLUTSLNSA-N 1 3 244.379 0.702 20 0 BCADHO CN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635078130 345242311 /nfs/dbraw/zinc/24/23/11/345242311.db2.gz OSEMRIHUIZXMHX-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO CN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635078130 345242313 /nfs/dbraw/zinc/24/23/13/345242313.db2.gz OSEMRIHUIZXMHX-GFCCVEGCSA-N 1 3 239.363 0.492 20 0 BCADHO CCC[C@@H](CCO)[NH2+][C@@H](C)C1CNC1 ZINC000635005310 345209444 /nfs/dbraw/zinc/20/94/44/345209444.db2.gz UFSORBLVWFQXEW-ONGXEEELSA-N 1 3 200.326 0.735 20 0 BCADHO CCC[C@@H](CCO)N[C@@H](C)C1C[NH2+]C1 ZINC000635005310 345209445 /nfs/dbraw/zinc/20/94/45/345209445.db2.gz UFSORBLVWFQXEW-ONGXEEELSA-N 1 3 200.326 0.735 20 0 BCADHO CN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635131009 345255048 /nfs/dbraw/zinc/25/50/48/345255048.db2.gz MXLKVHWNJKEJIG-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000635008085 345215732 /nfs/dbraw/zinc/21/57/32/345215732.db2.gz ZHSRGJVCSYDDGE-KALVJPODSA-N 1 3 242.363 0.894 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1N[C@H]1C[C@@H](C)O[C@H]1C ZINC000635008087 345216249 /nfs/dbraw/zinc/21/62/49/345216249.db2.gz ZHSRGJVCSYDDGE-YERPJTIDSA-N 1 3 242.363 0.894 20 0 BCADHO C[NH2+]C[C@H]1CCN(C[C@H](C)COC)C1 ZINC000053034517 345338723 /nfs/dbraw/zinc/33/87/23/345338723.db2.gz UZTBHLPWMZOPCH-WDEREUQCSA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@H]1CC[N@H+](C[C@H](C)COC)C1 ZINC000053034517 345338724 /nfs/dbraw/zinc/33/87/24/345338724.db2.gz UZTBHLPWMZOPCH-WDEREUQCSA-N 1 3 200.326 0.810 20 0 BCADHO CNC[C@H]1CC[N@@H+](C[C@H](C)COC)C1 ZINC000053034517 345338726 /nfs/dbraw/zinc/33/87/26/345338726.db2.gz UZTBHLPWMZOPCH-WDEREUQCSA-N 1 3 200.326 0.810 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000158527586 345345543 /nfs/dbraw/zinc/34/55/43/345345543.db2.gz KGDOZCRMSMHDNF-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000158879234 345383877 /nfs/dbraw/zinc/38/38/77/345383877.db2.gz HAMQOTOGNLLLBM-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)N(C)C ZINC000133732815 345385210 /nfs/dbraw/zinc/38/52/10/345385210.db2.gz SSNLCPWSBWCMLK-VXGBXAGGSA-N 1 3 241.379 0.737 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000635506582 345406080 /nfs/dbraw/zinc/40/60/80/345406080.db2.gz CRWNZKCJNRBOLB-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635506582 345406081 /nfs/dbraw/zinc/40/60/81/345406081.db2.gz CRWNZKCJNRBOLB-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000159107098 345409785 /nfs/dbraw/zinc/40/97/85/345409785.db2.gz QUNPQWYMFJZIOM-CMPLNLGQSA-N 1 3 243.326 0.146 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342723855 534996903 /nfs/dbraw/zinc/99/69/03/534996903.db2.gz UGWMMTYFOXNVQA-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH3+] ZINC000178618532 534998555 /nfs/dbraw/zinc/99/85/55/534998555.db2.gz DSRBCHQOUNTYKS-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140252 345645676 /nfs/dbraw/zinc/64/56/76/345645676.db2.gz UHSRZMRIRHIOIN-WUHRBBMRSA-N 1 3 242.363 0.144 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626140252 345645679 /nfs/dbraw/zinc/64/56/79/345645679.db2.gz UHSRZMRIRHIOIN-WUHRBBMRSA-N 1 3 242.363 0.144 20 0 BCADHO N[C@@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCC1 ZINC000563116565 323093295 /nfs/dbraw/zinc/09/32/95/323093295.db2.gz JFWBVAGWQHWYPV-FBIMIBRVSA-N 1 3 225.336 0.357 20 0 BCADHO Cn1nccc1CCN1CC[C@@](C)(C[NH3+])C1 ZINC000236080852 537910084 /nfs/dbraw/zinc/91/00/84/537910084.db2.gz NQIQYZHRYONNRM-LBPRGKRZSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1nccc1CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000236080852 537910087 /nfs/dbraw/zinc/91/00/87/537910087.db2.gz NQIQYZHRYONNRM-LBPRGKRZSA-N 1 3 222.336 0.633 20 0 BCADHO Cn1nccc1CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000236080852 537910094 /nfs/dbraw/zinc/91/00/94/537910094.db2.gz NQIQYZHRYONNRM-LBPRGKRZSA-N 1 3 222.336 0.633 20 0 BCADHO CC1(CNC(=O)CNC2CC2)CC[NH2+]CC1 ZINC000183373797 345937986 /nfs/dbraw/zinc/93/79/86/345937986.db2.gz UYIFCCGYNHSTLY-UHFFFAOYSA-N 1 3 225.336 0.244 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567925301 323101478 /nfs/dbraw/zinc/10/14/78/323101478.db2.gz ITMDTTRVCJPGQB-HLTSFMKQSA-N 1 3 233.381 0.309 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000375426973 537936898 /nfs/dbraw/zinc/93/68/98/537936898.db2.gz JTSUUIRGGNFMHE-VHSXEESVSA-N 1 3 247.342 0.889 20 0 BCADHO CCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000636028900 346164994 /nfs/dbraw/zinc/16/49/94/346164994.db2.gz GZJGMIFGCRCWCE-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CCN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000636028900 346164996 /nfs/dbraw/zinc/16/49/96/346164996.db2.gz GZJGMIFGCRCWCE-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000636034046 346170668 /nfs/dbraw/zinc/17/06/68/346170668.db2.gz GDCLKEDGJNNFJH-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000636034046 346170671 /nfs/dbraw/zinc/17/06/71/346170671.db2.gz GDCLKEDGJNNFJH-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCOC[C@H](O)CNC[C@H](C)C[NH+]1CCCC1 ZINC000069278666 349944200 /nfs/dbraw/zinc/94/42/00/349944200.db2.gz ZNSGGQOKJAVCRC-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CCOC[C@H](O)C[NH2+]C[C@H](C)CN1CCCC1 ZINC000069278666 349944201 /nfs/dbraw/zinc/94/42/01/349944201.db2.gz ZNSGGQOKJAVCRC-QWHCGFSZSA-N 1 3 244.379 0.705 20 0 BCADHO CN(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000069626541 349951075 /nfs/dbraw/zinc/95/10/75/349951075.db2.gz DTXJQIBRVINGJJ-JTQLQIEISA-N 1 3 213.325 0.135 20 0 BCADHO CN1CCC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000069733998 349956346 /nfs/dbraw/zinc/95/63/46/349956346.db2.gz KSXVXISEDOBXDR-LLVKDONJSA-N 1 3 227.352 0.573 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)NC ZINC000574926782 346415959 /nfs/dbraw/zinc/41/59/59/346415959.db2.gz MXXMTJLKEGDUGN-DTWKUNHWSA-N 1 3 201.314 0.228 20 0 BCADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCCC2)C1 ZINC000070074107 349965150 /nfs/dbraw/zinc/96/51/50/349965150.db2.gz KOXDFQVZJCEPSI-GFCCVEGCSA-N 1 3 239.363 0.670 20 0 BCADHO Cn1ccc(CN[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1=O ZINC000641807736 362766426 /nfs/dbraw/zinc/76/64/26/362766426.db2.gz RNFCDGHOUCZAJA-GHMZBOCLSA-N 1 3 235.331 0.601 20 0 BCADHO Cn1ccc(C[NH2+][C@@H]2C[C@@H](N)C2(C)C)cc1=O ZINC000641807736 362766431 /nfs/dbraw/zinc/76/64/31/362766431.db2.gz RNFCDGHOUCZAJA-GHMZBOCLSA-N 1 3 235.331 0.601 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)N(CC)CC ZINC000580201524 346658385 /nfs/dbraw/zinc/65/83/85/346658385.db2.gz RNGJJBOMJXRWFV-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000580646881 365841931 /nfs/dbraw/zinc/84/19/31/365841931.db2.gz QMKMKTDLNGNBKF-ONGXEEELSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 ZINC000563622985 323132157 /nfs/dbraw/zinc/13/21/57/323132157.db2.gz IHNOWMBEZRCVLN-LSJOCFKGSA-N 1 3 225.336 0.310 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000300419968 346672927 /nfs/dbraw/zinc/67/29/27/346672927.db2.gz BIHCHFYVRFRIFT-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@H](C)[NH2+]C ZINC000580215751 346699457 /nfs/dbraw/zinc/69/94/57/346699457.db2.gz CFTNULTVXQAJBR-GWCFXTLKSA-N 1 3 249.358 0.973 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)[NH2+]C ZINC000580215753 346699497 /nfs/dbraw/zinc/69/94/97/346699497.db2.gz CFTNULTVXQAJBR-MFKMUULPSA-N 1 3 249.358 0.973 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)COCC2CC2)C1 ZINC000580216274 346699621 /nfs/dbraw/zinc/69/96/21/346699621.db2.gz SYLXOASXPDNPBP-UPJWGTAASA-N 1 3 242.363 0.633 20 0 BCADHO CC(C)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000179068835 346735398 /nfs/dbraw/zinc/73/53/98/346735398.db2.gz UNNJJFVGSSRGLQ-NSHDSACASA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1CC[N@H+](CC(C)(C)N)C[C@H]1CO ZINC000622003595 370653944 /nfs/dbraw/zinc/65/39/44/370653944.db2.gz BZPDBNPLRXYQQT-ZJUUUORDSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H]1CC[N@@H+](CC(C)(C)N)C[C@H]1CO ZINC000622003595 370653948 /nfs/dbraw/zinc/65/39/48/370653948.db2.gz BZPDBNPLRXYQQT-ZJUUUORDSA-N 1 3 200.326 0.674 20 0 BCADHO C[C@@H](CN1CCOCC1)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000582063285 347157503 /nfs/dbraw/zinc/15/75/03/347157503.db2.gz WKTOBCSUMVWJBX-FRRDWIJNSA-N 1 3 241.379 0.376 20 0 BCADHO C[C@@H](CN1CCOCC1)N1C[C@H](C[NH3+])C[C@H]1C ZINC000582063284 347157594 /nfs/dbraw/zinc/15/75/94/347157594.db2.gz WKTOBCSUMVWJBX-AGIUHOORSA-N 1 3 241.379 0.376 20 0 BCADHO N[C@H](CC(F)F)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582062088 347159049 /nfs/dbraw/zinc/15/90/49/347159049.db2.gz QBFLQEJOPMNKNT-IWSPIJDZSA-N 1 3 249.305 0.603 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000580328423 347162231 /nfs/dbraw/zinc/16/22/31/347162231.db2.gz URIVDHNKKPXBLQ-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO C[NH+](C)CC1CCC(NC(=O)CN)CC1 ZINC000571167063 323137234 /nfs/dbraw/zinc/13/72/34/323137234.db2.gz KPXQFTVBQSMPKN-UHFFFAOYSA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+](C)C1(CO)CC1 ZINC000353021010 187371932 /nfs/dbraw/zinc/37/19/32/187371932.db2.gz JENVSJGRHQUOJQ-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+](C)C1(CO)CC1 ZINC000353021010 187371934 /nfs/dbraw/zinc/37/19/34/187371934.db2.gz JENVSJGRHQUOJQ-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261548681 535057045 /nfs/dbraw/zinc/05/70/45/535057045.db2.gz NVMXCCLTTKETMI-BBBLOLIVSA-N 1 3 213.325 0.356 20 0 BCADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000310307301 347261420 /nfs/dbraw/zinc/26/14/20/347261420.db2.gz SAFWZIWLTPRPCN-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)CC(F)F ZINC000310307301 347261422 /nfs/dbraw/zinc/26/14/22/347261422.db2.gz SAFWZIWLTPRPCN-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000019438563 347323971 /nfs/dbraw/zinc/32/39/71/347323971.db2.gz SFAPKWORBPQQGO-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@@H](N)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000019438563 347323975 /nfs/dbraw/zinc/32/39/75/347323975.db2.gz SFAPKWORBPQQGO-GFCCVEGCSA-N 1 3 249.358 0.972 20 0 BCADHO FC(F)[C@@H]1CNCCN1CCC1CC[NH2+]CC1 ZINC000571404698 323143697 /nfs/dbraw/zinc/14/36/97/323143697.db2.gz WITPGXPVRPXATM-NSHDSACASA-N 1 3 247.333 0.915 20 0 BCADHO COCC(COC)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000388423784 347398361 /nfs/dbraw/zinc/39/83/61/347398361.db2.gz JBZXOIDINYPHSH-ZJUUUORDSA-N 1 3 216.325 0.507 20 0 BCADHO COCC(COC)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000388423781 347398593 /nfs/dbraw/zinc/39/85/93/347398593.db2.gz JBZXOIDINYPHSH-UWVGGRQHSA-N 1 3 216.325 0.507 20 0 BCADHO C[C@H](CNC(=O)CCCC[NH3+])N1CCCC1 ZINC000161079109 323145853 /nfs/dbraw/zinc/14/58/53/323145853.db2.gz PLAJMZAFECPFGP-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CC[NH2+]1 ZINC000577215821 365885905 /nfs/dbraw/zinc/88/59/05/365885905.db2.gz TYYUDSUDRRLUOP-AXFHLTTASA-N 1 3 225.336 0.147 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[N@H+](C)CC ZINC000054133340 347469011 /nfs/dbraw/zinc/46/90/11/347469011.db2.gz RMVLIUYOWRDXKN-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054133340 347469014 /nfs/dbraw/zinc/46/90/14/347469014.db2.gz RMVLIUYOWRDXKN-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000356392450 187377283 /nfs/dbraw/zinc/37/72/83/187377283.db2.gz QLBZGAMJKGFWJE-KXNHARMFSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CCN(C(=O)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000616569113 347575848 /nfs/dbraw/zinc/57/58/48/347575848.db2.gz HXWMNRMOKLVQMG-PWSUYJOCSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N(C)C ZINC000591429792 347655341 /nfs/dbraw/zinc/65/53/41/347655341.db2.gz LTRQCJQMWKRNFK-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N(C)C)CC1 ZINC000082475062 347614653 /nfs/dbraw/zinc/61/46/53/347614653.db2.gz WUUSZLBILMRJOJ-UWVGGRQHSA-N 1 3 227.352 0.522 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333390278 537992088 /nfs/dbraw/zinc/99/20/88/537992088.db2.gz OSKFXMYUQHZAJA-GHMZBOCLSA-N 1 3 239.363 0.490 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C1CC1 ZINC000591456797 347665192 /nfs/dbraw/zinc/66/51/92/347665192.db2.gz YGECWXNEVFFUGQ-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C1CC1 ZINC000591456797 347665194 /nfs/dbraw/zinc/66/51/94/347665194.db2.gz YGECWXNEVFFUGQ-MNOVXSKESA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCN(C)C1CC1 ZINC000577392123 365944326 /nfs/dbraw/zinc/94/43/26/365944326.db2.gz OQOPVWAUIDSSIC-ZYHUDNBSSA-N 1 3 239.363 0.537 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000368687387 187384270 /nfs/dbraw/zinc/38/42/70/187384270.db2.gz KLTBYFYAYIRFAK-GMTAPVOTSA-N 1 3 239.363 0.428 20 0 BCADHO [NH3+]C1(C(=O)NCCN2CCCC2)CCC1 ZINC000088050317 490118302 /nfs/dbraw/zinc/11/83/02/490118302.db2.gz ADZPNKFAVSVJFO-UHFFFAOYSA-N 1 3 211.309 0.080 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)CC(C)C ZINC000308478284 323174974 /nfs/dbraw/zinc/17/49/74/323174974.db2.gz KJKORELOJSWJCW-LLVKDONJSA-N 1 3 202.342 0.887 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)CC(C)C ZINC000308478284 323174975 /nfs/dbraw/zinc/17/49/75/323174975.db2.gz KJKORELOJSWJCW-LLVKDONJSA-N 1 3 202.342 0.887 20 0 BCADHO CCN1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000038098242 348053067 /nfs/dbraw/zinc/05/30/67/348053067.db2.gz KVGHKMFNVQEYGF-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCCC[NH+](C)C ZINC000594920697 348155262 /nfs/dbraw/zinc/15/52/62/348155262.db2.gz HHGBHLGVLBTNMV-GMTAPVOTSA-N 1 3 228.336 0.725 20 0 BCADHO C[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)CS1 ZINC000397738549 362903488 /nfs/dbraw/zinc/90/34/88/362903488.db2.gz URWDUYDPYKKZPN-WOPDTQHZSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)CC1CCN(C)CC1 ZINC000070318107 349993800 /nfs/dbraw/zinc/99/38/00/349993800.db2.gz CGVSQIGUIMUDQX-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CSCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000596649161 348604508 /nfs/dbraw/zinc/60/45/08/348604508.db2.gz CCUJGDJJJHABJX-IVZWLZJFSA-N 1 3 218.366 0.691 20 0 BCADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+][C@H]2CCNC2)[C@@H]1C ZINC000596649021 348605319 /nfs/dbraw/zinc/60/53/19/348605319.db2.gz XDIDNJGTCLNWHS-NOOOWODRSA-N 1 3 240.347 0.916 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000308841474 348772609 /nfs/dbraw/zinc/77/26/09/348772609.db2.gz KHOLBUFKBKWUMA-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO CN(C[C@H]1CCCC[C@H]1O)C1CC([NH3+])C1 ZINC000384812260 490191125 /nfs/dbraw/zinc/19/11/25/490191125.db2.gz CNLNLCKPYDOTJH-HBIQZDMRSA-N 1 3 212.337 0.959 20 0 BCADHO COC(=O)CCCCN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000599268754 349136512 /nfs/dbraw/zinc/13/65/12/349136512.db2.gz ICJABZQKJIJFLA-GHMZBOCLSA-N 1 3 226.320 0.481 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000381784968 349189241 /nfs/dbraw/zinc/18/92/41/349189241.db2.gz YQELTNROUAZZPB-AEJSXWLSSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000252614749 349207014 /nfs/dbraw/zinc/20/70/14/349207014.db2.gz YKLFXWJVHLNYSK-JBLDHEPKSA-N 1 3 237.347 0.337 20 0 BCADHO NC[C@H](C(=O)NCCC[NH3+])c1ccccc1 ZINC000061612674 349375850 /nfs/dbraw/zinc/37/58/50/349375850.db2.gz TYKCCZBZSYSISV-NSHDSACASA-N 1 3 221.304 0.194 20 0 BCADHO COCC[C@H](CO)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000300898432 349419013 /nfs/dbraw/zinc/41/90/13/349419013.db2.gz QPBUXUQZJBPZEJ-OUAUKWLOSA-N 1 3 216.325 0.243 20 0 BCADHO CC[NH+]1CCC(NC[C@H]2COCCN2C)CC1 ZINC000624171692 350052016 /nfs/dbraw/zinc/05/20/16/350052016.db2.gz AQLUPQFWGXQCMO-ZDUSSCGKSA-N 1 3 241.379 0.391 20 0 BCADHO CC[NH+](CC)C[C@@H](C)NC(=O)NCCN(C)C ZINC000342669201 538048634 /nfs/dbraw/zinc/04/86/34/538048634.db2.gz WTAUQTQDJZMKDU-LLVKDONJSA-N 1 3 244.383 0.578 20 0 BCADHO CC1(C)CN(C(=O)CC[NH2+]C2CC2)CCN1 ZINC000518794714 259410263 /nfs/dbraw/zinc/41/02/63/259410263.db2.gz MZWBKLAMJDVSNK-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO CCC[C@H](C(=O)N1CCC(C[NH3+])CC1)N(C)C ZINC000422728826 192443996 /nfs/dbraw/zinc/44/39/96/192443996.db2.gz JQKAJRHTESAHRE-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO Cc1cnn(CCN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000304430406 350156984 /nfs/dbraw/zinc/15/69/84/350156984.db2.gz SQHXTHHTMCZOFX-VXGBXAGGSA-N 1 3 222.336 0.861 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000309802445 191066459 /nfs/dbraw/zinc/06/64/59/191066459.db2.gz RLSGNPLHOVOIOA-SECBINFHSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000037467317 191069442 /nfs/dbraw/zinc/06/94/42/191069442.db2.gz YAHCPCNXXNYGKM-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000309303515 350276076 /nfs/dbraw/zinc/27/60/76/350276076.db2.gz UUAOILRZBOSUNN-VHSXEESVSA-N 1 3 213.325 0.086 20 0 BCADHO CN(C)CCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000068940310 350314165 /nfs/dbraw/zinc/31/41/65/350314165.db2.gz QEJZVZMGWJENNB-NSHDSACASA-N 1 3 248.392 0.495 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000309412107 350372202 /nfs/dbraw/zinc/37/22/02/350372202.db2.gz IRCVHHXVKUNPPO-NXEZZACHSA-N 1 3 213.325 0.311 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 ZINC000521434420 259413271 /nfs/dbraw/zinc/41/32/71/259413271.db2.gz XNKBIOONMUIGPB-KXUCPTDWSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1CN(C(=O)NCC[NH2+]C2CC2)[C@H](C)CN1 ZINC000637340007 350465812 /nfs/dbraw/zinc/46/58/12/350465812.db2.gz NMPDGDKOMBCEHI-NXEZZACHSA-N 1 3 240.351 0.130 20 0 BCADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623542981 362960936 /nfs/dbraw/zinc/96/09/36/362960936.db2.gz ZFKRZOHUVZVMKH-GARJFASQSA-N 1 3 212.337 0.972 20 0 BCADHO C[N@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2)CC1(C)C ZINC000623542981 362960940 /nfs/dbraw/zinc/96/09/40/362960940.db2.gz ZFKRZOHUVZVMKH-GARJFASQSA-N 1 3 212.337 0.972 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000228005445 350523705 /nfs/dbraw/zinc/52/37/05/350523705.db2.gz RKTASHQZCMEGAF-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000309505656 350679743 /nfs/dbraw/zinc/67/97/43/350679743.db2.gz VVQPMRDURUPSFS-SNVBAGLBSA-N 1 3 213.325 0.086 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000571402552 350974955 /nfs/dbraw/zinc/97/49/55/350974955.db2.gz RFRSUKMKCCNZCR-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO C[N@@H+]1CC[C@@H](NC[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571505 363001459 /nfs/dbraw/zinc/00/14/59/363001459.db2.gz YUQQBDGLKCFYBS-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO C[N@H+]1CC[C@@H](NC[C@@H]2CCC(=O)N2)CC1(C)C ZINC000623571505 363001463 /nfs/dbraw/zinc/00/14/63/363001463.db2.gz YUQQBDGLKCFYBS-MNOVXSKESA-N 1 3 239.363 0.727 20 0 BCADHO C[N@@H+]1CC[C@H](N[C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575408 363004611 /nfs/dbraw/zinc/00/46/11/363004611.db2.gz ZFKRZOHUVZVMKH-DCAQKATOSA-N 1 3 212.337 0.972 20 0 BCADHO C[N@H+]1CC[C@H](N[C@H]2C[C@H](O)C2)CC1(C)C ZINC000623575408 363004617 /nfs/dbraw/zinc/00/46/17/363004617.db2.gz ZFKRZOHUVZVMKH-DCAQKATOSA-N 1 3 212.337 0.972 20 0 BCADHO C[NH+]1CCC(CNC(=O)C2(N)CCC2)CC1 ZINC000088050908 351539503 /nfs/dbraw/zinc/53/95/03/351539503.db2.gz ZPADBWDRWAIEJS-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000577620868 366021256 /nfs/dbraw/zinc/02/12/56/366021256.db2.gz DLLHQECPCATCSD-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](N)CCC(C)C)C1 ZINC000637802727 351634234 /nfs/dbraw/zinc/63/42/34/351634234.db2.gz UBCPXUBNRWEICV-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637815812 351655103 /nfs/dbraw/zinc/65/51/03/351655103.db2.gz XVCLJDAFGOZTBT-VXGBXAGGSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000637797171 351622071 /nfs/dbraw/zinc/62/20/71/351622071.db2.gz MAKNGEGARGINBT-LLVKDONJSA-N 1 3 227.352 0.618 20 0 BCADHO N[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637834428 351688883 /nfs/dbraw/zinc/68/88/83/351688883.db2.gz ZAQDMUQMICNMDY-STQMWFEESA-N 1 3 245.326 0.850 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000637838801 351694038 /nfs/dbraw/zinc/69/40/38/351694038.db2.gz CGAYZHVROINPLE-OPRDCNLKSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N(C)C ZINC000637839890 351694898 /nfs/dbraw/zinc/69/48/98/351694898.db2.gz CHVVDDAPVQUTCD-ZYHUDNBSSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])N(C)C ZINC000637847188 351705528 /nfs/dbraw/zinc/70/55/28/351705528.db2.gz LWEPKVFGZXPKRG-IJLUTSLNSA-N 1 3 241.379 0.912 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](N)CCC(C)C ZINC000637823684 351668884 /nfs/dbraw/zinc/66/88/84/351668884.db2.gz IFCGLYRUCVUKNY-VIFPVBQESA-N 1 3 201.314 0.086 20 0 BCADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827895 351670578 /nfs/dbraw/zinc/67/05/78/351670578.db2.gz VRXMMCFBCWNLBL-SECBINFHSA-N 1 3 222.292 0.129 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)CCC(C)C ZINC000637826646 351674297 /nfs/dbraw/zinc/67/42/97/351674297.db2.gz VTTVAEQNKXYMHM-SNVBAGLBSA-N 1 3 215.341 0.476 20 0 BCADHO CN(CC(=O)NC[C@@H]1CCC[NH2+]1)CC(C)(C)C ZINC000637827247 351675882 /nfs/dbraw/zinc/67/58/82/351675882.db2.gz OIKZELJQVTZNSJ-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000637827249 351675931 /nfs/dbraw/zinc/67/59/31/351675931.db2.gz OILSMQLDMDMKFD-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000577731781 366046722 /nfs/dbraw/zinc/04/67/22/366046722.db2.gz SHNJXIZLPIGXKQ-BDAKNGLRSA-N 1 3 249.305 0.699 20 0 BCADHO CN1CCCC[C@H]1C(=O)N1CC[NH2+]CC1(C)C ZINC000637857188 351717845 /nfs/dbraw/zinc/71/78/45/351717845.db2.gz NDEGJPZHMYYEIF-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC(C)(C)[NH3+] ZINC000637857660 351718807 /nfs/dbraw/zinc/71/88/07/351718807.db2.gz MXXPLGLNZMBISW-UHFFFAOYSA-N 1 3 210.281 0.114 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(C)C ZINC000637861303 351722294 /nfs/dbraw/zinc/72/22/94/351722294.db2.gz FBZPXJLQSCRBQA-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000637855854 351715642 /nfs/dbraw/zinc/71/56/42/351715642.db2.gz ZDLVQJSVXTZBOE-WDEREUQCSA-N 1 3 227.352 0.603 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CCC(C[NH3+])CC1 ZINC000577848197 366082288 /nfs/dbraw/zinc/08/22/88/366082288.db2.gz DQVAWLHREASXCV-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO CC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1C ZINC000638075247 351947256 /nfs/dbraw/zinc/94/72/56/351947256.db2.gz DAMYKDZEXGMUMD-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000638046702 351925995 /nfs/dbraw/zinc/92/59/95/351925995.db2.gz DTRDVHQLBQCTTP-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CN1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638051300 351928468 /nfs/dbraw/zinc/92/84/68/351928468.db2.gz ZYKOHRVMZKBJNL-JTQLQIEISA-N 1 3 223.320 0.244 20 0 BCADHO CN1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638051302 351928649 /nfs/dbraw/zinc/92/86/49/351928649.db2.gz ZYKOHRVMZKBJNL-SNVBAGLBSA-N 1 3 223.320 0.244 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638072546 351944482 /nfs/dbraw/zinc/94/44/82/351944482.db2.gz NXAWVUQVRHMDDN-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638072546 351944483 /nfs/dbraw/zinc/94/44/83/351944483.db2.gz NXAWVUQVRHMDDN-UTUOFQBUSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638072230 351944994 /nfs/dbraw/zinc/94/49/94/351944994.db2.gz KZRPSAOEYDVWBZ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638072230 351944997 /nfs/dbraw/zinc/94/49/97/351944997.db2.gz KZRPSAOEYDVWBZ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H](N)CCC(C)C ZINC000638147869 352009910 /nfs/dbraw/zinc/00/99/10/352009910.db2.gz POXCKLNNZIJDFL-NSHDSACASA-N 1 3 229.368 0.866 20 0 BCADHO [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000638082002 351955171 /nfs/dbraw/zinc/95/51/71/351955171.db2.gz RPUDUBBZLCHYJQ-WDEREUQCSA-N 1 3 235.331 0.387 20 0 BCADHO CN(CCNC(=O)C1=CC[C@H]([NH3+])C1)C1CC1 ZINC000638082220 351955651 /nfs/dbraw/zinc/95/56/51/351955651.db2.gz GFTCFOMRDUYBNV-JTQLQIEISA-N 1 3 223.320 0.244 20 0 BCADHO O=C(CCC1C[NH2+]C1)N[C@@H]1CCN(C2CC2)C1 ZINC000638086473 351963922 /nfs/dbraw/zinc/96/39/22/351963922.db2.gz ZLHUWFXNPRWABT-LLVKDONJSA-N 1 3 237.347 0.339 20 0 BCADHO CN(C(=O)C1=CC[C@@H]([NH3+])C1)[C@H]1CCN(C2CC2)C1 ZINC000638102220 351983513 /nfs/dbraw/zinc/98/35/13/351983513.db2.gz UCQOPOZCGBAZCS-YPMHNXCESA-N 1 3 249.358 0.729 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638127660 351999222 /nfs/dbraw/zinc/99/92/22/351999222.db2.gz XEVBAFJIMOLIGD-CMPLNLGQSA-N 1 3 237.347 0.492 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCN(c2ccncc2)CC1 ZINC000638132411 352000634 /nfs/dbraw/zinc/00/06/34/352000634.db2.gz DNEVADHEJTWTRB-NSHDSACASA-N 1 3 248.330 0.468 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000638133515 352000804 /nfs/dbraw/zinc/00/08/04/352000804.db2.gz IIGXRRQEFNXQPG-CKYFFXLPSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000638140369 352003613 /nfs/dbraw/zinc/00/36/13/352003613.db2.gz AIOVEIDEVUMMIS-UWVGGRQHSA-N 1 3 215.341 0.461 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000638140371 352003983 /nfs/dbraw/zinc/00/39/83/352003983.db2.gz AIOVEIDEVUMMIS-ZJUUUORDSA-N 1 3 215.341 0.461 20 0 BCADHO CC[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)N(C)C ZINC000638139012 352005384 /nfs/dbraw/zinc/00/53/84/352005384.db2.gz RYULSHCFWYMGOL-NWDGAFQWSA-N 1 3 239.363 0.680 20 0 BCADHO C(C[C@H]1CCO1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186108 352050728 /nfs/dbraw/zinc/05/07/28/352050728.db2.gz LGHFWJYIULMBPQ-TUAOUCFPSA-N 1 3 210.321 0.707 20 0 BCADHO C(C[C@@H]1CCO1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000638186107 352051248 /nfs/dbraw/zinc/05/12/48/352051248.db2.gz LGHFWJYIULMBPQ-SDDRHHMPSA-N 1 3 210.321 0.707 20 0 BCADHO CO[C@](C)(CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000638186365 352052944 /nfs/dbraw/zinc/05/29/44/352052944.db2.gz ROHWYWVASVZSBL-NTZNESFSSA-N 1 3 224.348 0.953 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000638196142 352060528 /nfs/dbraw/zinc/06/05/28/352060528.db2.gz WEUOYLNWMJBZJE-VHSXEESVSA-N 1 3 213.325 0.243 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000638199099 352062596 /nfs/dbraw/zinc/06/25/96/352062596.db2.gz HCNOWGWUWFHSOV-VHSXEESVSA-N 1 3 236.319 0.647 20 0 BCADHO CC[C@@H](C(=O)NC1(C)CC[NH2+]CC1)N(C)C ZINC000638207261 352066688 /nfs/dbraw/zinc/06/66/88/352066688.db2.gz YRXNUFUOEXRCOT-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1CN(C(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C)CN1 ZINC000638159511 352023987 /nfs/dbraw/zinc/02/39/87/352023987.db2.gz XPZUAEXRMJUUNS-WCABBAIRSA-N 1 3 223.320 0.243 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000638160208 352024928 /nfs/dbraw/zinc/02/49/28/352024928.db2.gz HPCCENDLZVJUFV-NWDGAFQWSA-N 1 3 241.379 0.927 20 0 BCADHO CN1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638168275 352036021 /nfs/dbraw/zinc/03/60/21/352036021.db2.gz CRXOWGRSABFKRD-LLVKDONJSA-N 1 3 223.320 0.198 20 0 BCADHO C[C@H](C[NH3+])NC(=O)CN(C)CC(C)(C)C ZINC000638172811 352040394 /nfs/dbraw/zinc/04/03/94/352040394.db2.gz QWJMOMZWPVYAPB-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@@H](Cc1cnccn1)NCCC[NH+](C)C ZINC000638289531 352124934 /nfs/dbraw/zinc/12/49/34/352124934.db2.gz RLXXMHQDAWKPQW-NSHDSACASA-N 1 3 222.336 0.949 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H](C)[NH3+] ZINC000638211310 352077089 /nfs/dbraw/zinc/07/70/89/352077089.db2.gz PRSXNGKMNKLIBK-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000638304506 352134561 /nfs/dbraw/zinc/13/45/61/352134561.db2.gz QNAKJSGSCCVJMO-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C)N(C)C ZINC000638229190 352084967 /nfs/dbraw/zinc/08/49/67/352084967.db2.gz DHNCTXAJYXSUFH-NNYUYHANSA-N 1 3 241.379 0.829 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000638243570 352094099 /nfs/dbraw/zinc/09/40/99/352094099.db2.gz BHDHVQDWPIIOJM-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000638248951 352094747 /nfs/dbraw/zinc/09/47/47/352094747.db2.gz WGCAICKFXLAEPV-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249904 352095319 /nfs/dbraw/zinc/09/53/19/352095319.db2.gz ZQYANABKRYXKJL-UTUOFQBUSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000638252113 352095486 /nfs/dbraw/zinc/09/54/86/352095486.db2.gz PDKMXZQGUWAPLD-WDEREUQCSA-N 1 3 229.368 0.994 20 0 BCADHO CCN[C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638261433 352103596 /nfs/dbraw/zinc/10/35/96/352103596.db2.gz GJWYNQWAPOZSGW-GHMZBOCLSA-N 1 3 227.352 0.633 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638261279 352103674 /nfs/dbraw/zinc/10/36/74/352103674.db2.gz DJYWHEUZKRWTSI-ZJUUUORDSA-N 1 3 227.352 0.489 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CCC(C)C ZINC000638260251 352104481 /nfs/dbraw/zinc/10/44/81/352104481.db2.gz XJXDGNQKPACVCJ-ZJUUUORDSA-N 1 3 215.341 0.603 20 0 BCADHO CNCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000083960732 352105572 /nfs/dbraw/zinc/10/55/72/352105572.db2.gz ULCXXQQAGMELHC-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000083960732 352105576 /nfs/dbraw/zinc/10/55/76/352105576.db2.gz ULCXXQQAGMELHC-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638276221 352112875 /nfs/dbraw/zinc/11/28/75/352112875.db2.gz RPEAPLIEWRWZQF-RYUDHWBXSA-N 1 3 237.347 0.587 20 0 BCADHO CN(CC(=O)N(C)CC[NH3+])CC(C)(C)C ZINC000638343015 352161740 /nfs/dbraw/zinc/16/17/40/352161740.db2.gz JSTIUTDZVIRAJD-UHFFFAOYSA-N 1 3 215.341 0.381 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2OCC[C@@H]2N)c1 ZINC000638367444 352178493 /nfs/dbraw/zinc/17/84/93/352178493.db2.gz VDKZVIXIGWFJKM-NWDGAFQWSA-N 1 3 249.314 0.508 20 0 BCADHO CC[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C ZINC000638369336 352182161 /nfs/dbraw/zinc/18/21/61/352182161.db2.gz GEDAZVMVLUEZME-LPEHRKFASA-N 1 3 215.341 0.569 20 0 BCADHO CC[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)N(C)C ZINC000638435596 352245730 /nfs/dbraw/zinc/24/57/30/352245730.db2.gz DBLAERITDABZOQ-GXSJLCMTSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)N(C)C ZINC000638435601 352245957 /nfs/dbraw/zinc/24/59/57/352245957.db2.gz DBLAERITDABZOQ-ONGXEEELSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)[C@@H]1CNCCN1C(=O)C[N@H+](C)C(C)C ZINC000638490262 352299441 /nfs/dbraw/zinc/29/94/41/352299441.db2.gz TYVTZBBAHNKAPQ-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@@H]1CNCCN1C(=O)C[N@@H+](C)C(C)C ZINC000638490262 352299444 /nfs/dbraw/zinc/29/94/44/352299444.db2.gz TYVTZBBAHNKAPQ-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CCNC[C@H]1C(C)C ZINC000638489739 352301392 /nfs/dbraw/zinc/30/13/92/352301392.db2.gz POMRHPKWEWHLAV-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1C(C)C ZINC000638489738 352301528 /nfs/dbraw/zinc/30/15/28/352301528.db2.gz POMRHPKWEWHLAV-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C(=O)N1CCNC[C@@H]1C(C)C)[NH+](C)C ZINC000638491413 352302600 /nfs/dbraw/zinc/30/26/00/352302600.db2.gz IDYOOALJGJLUJD-VXGBXAGGSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638495043 352309906 /nfs/dbraw/zinc/30/99/06/352309906.db2.gz DVMVLQOTEXSNFM-UWVGGRQHSA-N 1 3 225.336 0.371 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638495044 352310154 /nfs/dbraw/zinc/31/01/54/352310154.db2.gz DVMVLQOTEXSNFM-ZJUUUORDSA-N 1 3 225.336 0.371 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638511119 352335596 /nfs/dbraw/zinc/33/55/96/352335596.db2.gz ZOJDKZWMPMWJIG-VHSXEESVSA-N 1 3 237.347 0.385 20 0 BCADHO CCN(CC[NH3+])C(=O)c1cccc2c1CCNC2 ZINC000638513676 352337021 /nfs/dbraw/zinc/33/70/21/352337021.db2.gz UYKMQJZVLUEFRH-UHFFFAOYSA-N 1 3 247.342 0.753 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638572450 352401248 /nfs/dbraw/zinc/40/12/48/352401248.db2.gz LOMQMRZYQFJJNR-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000638566657 352393430 /nfs/dbraw/zinc/39/34/30/352393430.db2.gz BXZXNFYSLYAVFL-WDEREUQCSA-N 1 3 239.363 0.905 20 0 BCADHO CCN(CC[NH3+])C(=O)C1(N)Cc2ccccc2C1 ZINC000638522713 352357034 /nfs/dbraw/zinc/35/70/34/352357034.db2.gz PCORRWWWBJRQNR-UHFFFAOYSA-N 1 3 247.342 0.290 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCOCC[NH2+]C ZINC000638586133 352415860 /nfs/dbraw/zinc/41/58/60/352415860.db2.gz IGGRNUCCOXWQEP-QWRGUYRKSA-N 1 3 245.367 0.054 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638577402 352405867 /nfs/dbraw/zinc/40/58/67/352405867.db2.gz YTIIPMHFUQWDDK-KXUCPTDWSA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000638641189 352483210 /nfs/dbraw/zinc/48/32/10/352483210.db2.gz DGDAFGOTEZSABI-UTUOFQBUSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000638641165 352483296 /nfs/dbraw/zinc/48/32/96/352483296.db2.gz BXULFSJYAKDKSE-KXNHARMFSA-N 1 3 239.363 0.631 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638641145 352483370 /nfs/dbraw/zinc/48/33/70/352483370.db2.gz DDIXUCBAPJZQPY-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000638641190 352483457 /nfs/dbraw/zinc/48/34/57/352483457.db2.gz DGDAFGOTEZSABI-WOPDTQHZSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H]1CC[C@@H](NC(=O)[C@H](N)CC(F)F)C[NH2+]1 ZINC000638643625 352485996 /nfs/dbraw/zinc/48/59/96/352485996.db2.gz MQDAEZCKOBFLEO-BWZBUEFSSA-N 1 3 235.278 0.226 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638643910 352486231 /nfs/dbraw/zinc/48/62/31/352486231.db2.gz NEBOGDGGOBIUDU-ZDCRXTMVSA-N 1 3 227.352 0.617 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2)C[NH2+]1 ZINC000638653767 352494701 /nfs/dbraw/zinc/49/47/01/352494701.db2.gz HBRNITLEMYCTBK-HBNTYKKESA-N 1 3 225.336 0.385 20 0 BCADHO C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638668962 352511097 /nfs/dbraw/zinc/51/10/97/352511097.db2.gz UGUDQQXUSNRXPK-SECBINFHSA-N 1 3 249.314 0.702 20 0 BCADHO C[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670651 352603944 /nfs/dbraw/zinc/60/39/44/352603944.db2.gz UFAYGOWCKXXSTQ-MDZLAQPJSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807276 352604541 /nfs/dbraw/zinc/60/45/41/352604541.db2.gz ONSMXSGONYBGCX-LBPRGKRZSA-N 1 3 229.368 0.960 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H](C)C[NH3+])CC1 ZINC000044807939 352657348 /nfs/dbraw/zinc/65/73/48/352657348.db2.gz ZSHQYFRYKZTBJE-SNVBAGLBSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679554 187803906 /nfs/dbraw/zinc/80/39/06/187803906.db2.gz VNEFIDJBSSLNBM-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@H](N)c1ccccc1 ZINC000638768001 352708960 /nfs/dbraw/zinc/70/89/60/352708960.db2.gz PBEDYYRVCWSTAD-WCFLWFBJSA-N 1 3 247.342 0.943 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](CN)c1ccccc1 ZINC000638774198 352716305 /nfs/dbraw/zinc/71/63/05/352716305.db2.gz XRYIBOKYHPHIJS-CYZMBNFOSA-N 1 3 247.342 0.596 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638775321 352722305 /nfs/dbraw/zinc/72/23/05/352722305.db2.gz BQZNLZWULJLILG-WISYIIOYSA-N 1 3 239.363 0.726 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638781154 352734276 /nfs/dbraw/zinc/73/42/76/352734276.db2.gz WOYALTXHBUQTKE-TUAOUCFPSA-N 1 3 239.363 0.727 20 0 BCADHO CCC[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N(C)C ZINC000422804706 192474856 /nfs/dbraw/zinc/47/48/56/192474856.db2.gz KXZXPJHMEDRFNC-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO N[C@H](C(=O)N1CCCCC[C@H]([NH3+])C1)C1CCC1 ZINC000638816522 352997183 /nfs/dbraw/zinc/99/71/83/352997183.db2.gz NRRXDZUJWJNEIA-RYUDHWBXSA-N 1 3 239.363 0.844 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638819292 352999706 /nfs/dbraw/zinc/99/97/06/352999706.db2.gz ISQNIKNUDMMQIV-WDEREUQCSA-N 1 3 227.352 0.700 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822326 353003731 /nfs/dbraw/zinc/00/37/31/353003731.db2.gz ISQNIKNUDMMQIV-QWRGUYRKSA-N 1 3 227.352 0.700 20 0 BCADHO CC(C)(O)C[NH+]1CCC(NC2(CO)CC2)CC1 ZINC000638898147 353061117 /nfs/dbraw/zinc/06/11/17/353061117.db2.gz ILWZVFATZOWFHG-UHFFFAOYSA-N 1 3 242.363 0.336 20 0 BCADHO C[NH2+]CCOCCN[C@H](C)c1cnccc1N ZINC000629531121 538107753 /nfs/dbraw/zinc/10/77/53/538107753.db2.gz ARXQXHSNEAUWAQ-SNVBAGLBSA-N 1 3 238.335 0.381 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913653 353072131 /nfs/dbraw/zinc/07/21/31/353072131.db2.gz BADWNXUPZHMXMS-BJDJZHNGSA-N 1 3 237.347 0.432 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(C)C ZINC000638914215 353072754 /nfs/dbraw/zinc/07/27/54/353072754.db2.gz PDAAGUGGAGHVKH-DCAQKATOSA-N 1 3 225.336 0.145 20 0 BCADHO CC1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000638915269 353074292 /nfs/dbraw/zinc/07/42/92/353074292.db2.gz KKYNJDPQHMULIC-RYUDHWBXSA-N 1 3 237.347 0.291 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638911131 353075570 /nfs/dbraw/zinc/07/55/70/353075570.db2.gz ZKPPPJGQJRBKIC-QXEWZRGKSA-N 1 3 211.309 0.077 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638937266 353111465 /nfs/dbraw/zinc/11/14/65/353111465.db2.gz SHYVGPAALKXSPL-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638919972 353078087 /nfs/dbraw/zinc/07/80/87/353078087.db2.gz WROKDWFMDKELAH-KXUCPTDWSA-N 1 3 225.336 0.323 20 0 BCADHO CN(CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)CC(C)(C)C ZINC000638919080 353083691 /nfs/dbraw/zinc/08/36/91/353083691.db2.gz XKRBBVQIUIUDMR-QWRGUYRKSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000638926666 353087282 /nfs/dbraw/zinc/08/72/82/353087282.db2.gz KEJRXUWZZWVSQC-AXFHLTTASA-N 1 3 225.336 0.289 20 0 BCADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCC(C)CC1 ZINC000638930938 353092097 /nfs/dbraw/zinc/09/20/97/353092097.db2.gz ISMCOZXTWFBMMP-NWDGAFQWSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638942826 353139525 /nfs/dbraw/zinc/13/95/25/353139525.db2.gz LVKLESJCJSVOIV-GUBZILKMSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+]CCOCCN1CCC(n2ccnc2)CC1 ZINC000357091718 188066221 /nfs/dbraw/zinc/06/62/21/188066221.db2.gz WJKQMIHCHXSBIQ-UHFFFAOYSA-N 1 3 238.335 0.495 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368368344 188072408 /nfs/dbraw/zinc/07/24/08/188072408.db2.gz BRKMBACWOUBSHA-GMTAPVOTSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000376384111 188077454 /nfs/dbraw/zinc/07/74/54/188077454.db2.gz IUIVTQMBUFMHDV-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950654 353153849 /nfs/dbraw/zinc/15/38/49/353153849.db2.gz LGJSOPUIJRKOOO-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000186718663 188100981 /nfs/dbraw/zinc/10/09/81/188100981.db2.gz WNMHTWXDLAOTFN-VWYCJHECSA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217805781 535207333 /nfs/dbraw/zinc/20/73/33/535207333.db2.gz ZAMSGQAZDDQKKC-SDDRHHMPSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217805781 535207337 /nfs/dbraw/zinc/20/73/37/535207337.db2.gz ZAMSGQAZDDQKKC-SDDRHHMPSA-N 1 3 239.363 0.713 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000044538753 188123449 /nfs/dbraw/zinc/12/34/49/188123449.db2.gz XLJGAGCAHJFARF-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@@H](CNC(=O)[C@@H](C)N)[NH+](C)C ZINC000040831277 188148634 /nfs/dbraw/zinc/14/86/34/188148634.db2.gz MRYHWMRBNKOEGZ-ZJUUUORDSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)N(C)C ZINC000365504777 188180559 /nfs/dbraw/zinc/18/05/59/188180559.db2.gz CGBUAJZVWRSNII-TUAOUCFPSA-N 1 3 239.363 0.347 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)N(C)C ZINC000365504777 188180561 /nfs/dbraw/zinc/18/05/61/188180561.db2.gz CGBUAJZVWRSNII-TUAOUCFPSA-N 1 3 239.363 0.347 20 0 BCADHO CC[C@@H](N)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638996161 353239812 /nfs/dbraw/zinc/23/98/12/353239812.db2.gz ATYJDKOWAYDUHT-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251020285 188221566 /nfs/dbraw/zinc/22/15/66/188221566.db2.gz CRUZKQQMAWLECE-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251020285 188221568 /nfs/dbraw/zinc/22/15/68/188221568.db2.gz CRUZKQQMAWLECE-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639021766 353280288 /nfs/dbraw/zinc/28/02/88/353280288.db2.gz IXFWROWVOJYZIE-DCAQKATOSA-N 1 3 227.352 0.746 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000336374993 188229490 /nfs/dbraw/zinc/22/94/90/188229490.db2.gz KZLRZZUSWDROLT-SECBINFHSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N(C)C ZINC000639030696 353303109 /nfs/dbraw/zinc/30/31/09/353303109.db2.gz VDCRIBFIBWSSND-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000253232418 353327431 /nfs/dbraw/zinc/32/74/31/353327431.db2.gz FERDSJRTCNHISX-NAKRPEOUSA-N 1 3 227.352 0.474 20 0 BCADHO c1cn(CCCN2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283257 538116130 /nfs/dbraw/zinc/11/61/30/538116130.db2.gz FZNNXRSMZWIPIG-RYUDHWBXSA-N 1 3 220.320 0.424 20 0 BCADHO [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCN2)c2ccccc21 ZINC000639067687 353382133 /nfs/dbraw/zinc/38/21/33/353382133.db2.gz LEQLDTJLMHBYKF-CMPLNLGQSA-N 1 3 245.326 0.828 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000165687897 353452910 /nfs/dbraw/zinc/45/29/10/353452910.db2.gz CBQHFVYONRBHMQ-RYUDHWBXSA-N 1 3 239.363 0.811 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000230174341 353471854 /nfs/dbraw/zinc/47/18/54/353471854.db2.gz DCOLRPRIGZQOBA-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO N[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC1 ZINC000563809138 353535968 /nfs/dbraw/zinc/53/59/68/353535968.db2.gz NUJKOVIOINJHAC-UTUOFQBUSA-N 1 3 237.347 0.182 20 0 BCADHO COCCN(C)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192098195 353541678 /nfs/dbraw/zinc/54/16/78/353541678.db2.gz CUTHTIWRNSBMQE-MNOVXSKESA-N 1 3 245.367 0.054 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373052892 188430578 /nfs/dbraw/zinc/43/05/78/188430578.db2.gz DGAICUFEZGBEQA-GARJFASQSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000193593360 353602033 /nfs/dbraw/zinc/60/20/33/353602033.db2.gz GLAZHERFFHNEFP-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO CO[C@@]1(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CCOC1 ZINC000639113705 353706963 /nfs/dbraw/zinc/70/69/63/353706963.db2.gz SFQOROPIYDSMST-FRRDWIJNSA-N 1 3 240.347 0.285 20 0 BCADHO CO[C@@]1(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CCOC1 ZINC000639113705 353706964 /nfs/dbraw/zinc/70/69/64/353706964.db2.gz SFQOROPIYDSMST-FRRDWIJNSA-N 1 3 240.347 0.285 20 0 BCADHO CC[C@H](C(=O)NCC1=CC[N@H+](C)CC1)N(C)C ZINC000343331862 353744697 /nfs/dbraw/zinc/74/46/97/353744697.db2.gz FTLQRUWYIWZYAS-GFCCVEGCSA-N 1 3 239.363 0.705 20 0 BCADHO CC[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)N(C)C ZINC000343331862 353744701 /nfs/dbraw/zinc/74/47/01/353744701.db2.gz FTLQRUWYIWZYAS-GFCCVEGCSA-N 1 3 239.363 0.705 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCNC[C@H]1C ZINC000262056931 535247588 /nfs/dbraw/zinc/24/75/88/535247588.db2.gz XMXHADZKHKFJOV-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCNC[C@H]1C ZINC000262056931 535247592 /nfs/dbraw/zinc/24/75/92/535247592.db2.gz XMXHADZKHKFJOV-SNVBAGLBSA-N 1 3 213.325 0.149 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000233427196 353818753 /nfs/dbraw/zinc/81/87/53/353818753.db2.gz PRPYOHHASBFSJI-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCNC(C)(C)C1 ZINC000261540001 535248224 /nfs/dbraw/zinc/24/82/24/535248224.db2.gz DMNWRIOROGESDE-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCNC(C)(C)C1 ZINC000261540001 535248227 /nfs/dbraw/zinc/24/82/27/535248227.db2.gz DMNWRIOROGESDE-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@H]1CSCCN1 ZINC000343587735 353941063 /nfs/dbraw/zinc/94/10/63/353941063.db2.gz DQTONIZYRCUWTG-KXUCPTDWSA-N 1 3 243.376 0.030 20 0 BCADHO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@H]1CSCCN1 ZINC000343587721 353941129 /nfs/dbraw/zinc/94/11/29/353941129.db2.gz DQTONIZYRCUWTG-BBBLOLIVSA-N 1 3 243.376 0.030 20 0 BCADHO COC[C@@H](C)[N@H+](C)CCCN(C)CCN(C)C ZINC000344044225 354110532 /nfs/dbraw/zinc/11/05/32/354110532.db2.gz JBWVHANGBUWTGB-CYBMUJFWSA-N 1 3 245.411 0.837 20 0 BCADHO COC[C@@H](C)[N@@H+](C)CCCN(C)CCN(C)C ZINC000344044225 354110535 /nfs/dbraw/zinc/11/05/35/354110535.db2.gz JBWVHANGBUWTGB-CYBMUJFWSA-N 1 3 245.411 0.837 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000449668848 202000446 /nfs/dbraw/zinc/00/04/46/202000446.db2.gz USIRTMIPCSVCRE-BDAKNGLRSA-N 1 3 249.305 0.488 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CNCCC1(F)F ZINC000449668100 202000811 /nfs/dbraw/zinc/00/08/11/202000811.db2.gz SJYLOSAFWNOZII-APPZFPTMSA-N 1 3 247.289 0.240 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449733760 202012300 /nfs/dbraw/zinc/01/23/00/202012300.db2.gz JQLVBBMQMHCERT-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CCCC[NH2+]1 ZINC000334581135 354199159 /nfs/dbraw/zinc/19/91/59/354199159.db2.gz LXYXRPLUQMIVPS-RKDXNWHRSA-N 1 3 247.289 0.242 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000334583862 354205431 /nfs/dbraw/zinc/20/54/31/354205431.db2.gz SOEMOJRDHJFJNP-DTWKUNHWSA-N 1 3 247.289 0.242 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000334697944 354489828 /nfs/dbraw/zinc/48/98/28/354489828.db2.gz DHNHQCWYVKZNFN-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1CC1 ZINC000617503779 354600680 /nfs/dbraw/zinc/60/06/80/354600680.db2.gz YVWQOROLVKTGEV-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1CC1 ZINC000617503779 354600682 /nfs/dbraw/zinc/60/06/82/354600682.db2.gz YVWQOROLVKTGEV-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CN(CCCCO)C[C@H]1CCC[NH2+]C1 ZINC000234276211 363418363 /nfs/dbraw/zinc/41/83/63/363418363.db2.gz OGUWLQCNGPCDIQ-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO C[N@H+](CCCCO)C[C@H]1CCCNC1 ZINC000234276211 363418367 /nfs/dbraw/zinc/41/83/67/363418367.db2.gz OGUWLQCNGPCDIQ-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO C[N@@H+](CCCCO)C[C@H]1CCCNC1 ZINC000234276211 363418373 /nfs/dbraw/zinc/41/83/73/363418373.db2.gz OGUWLQCNGPCDIQ-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO CC[C@H](C(=O)NCCOCC[NH+](C)C)N(C)C ZINC000346004738 354837803 /nfs/dbraw/zinc/83/78/03/354837803.db2.gz LGFNSHYBJQSJJD-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449750570 202021309 /nfs/dbraw/zinc/02/13/09/202021309.db2.gz VOHHKVRNVWUMHX-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCNCC1 ZINC000335185575 355083878 /nfs/dbraw/zinc/08/38/78/355083878.db2.gz BXYCOEDQMKZPBS-VXGBXAGGSA-N 1 3 239.363 0.442 20 0 BCADHO CCN(CCn1cncn1)[C@@H]1CCC[NH2+]CC1 ZINC000435629755 191324578 /nfs/dbraw/zinc/32/45/78/191324578.db2.gz YDYLKPXMRPRRGT-GFCCVEGCSA-N 1 3 237.351 0.742 20 0 BCADHO CC(C)[C@@H](C(=O)N1CCNC(C)(C)C1)[C@H](C)[NH3+] ZINC000335231301 355091748 /nfs/dbraw/zinc/09/17/48/355091748.db2.gz JBPAPPIPYILXPV-WDEREUQCSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)([NH3+])CN1CCN(C[C@H]2CCOC2)CC1 ZINC000346969922 355174804 /nfs/dbraw/zinc/17/48/04/355174804.db2.gz GLWFDJAYNCMKLY-GFCCVEGCSA-N 1 3 241.379 0.378 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)N)c1 ZINC000335241919 355177360 /nfs/dbraw/zinc/17/73/60/355177360.db2.gz RGVKBJQJHFUCMD-MRVPVSSYSA-N 1 3 207.277 0.739 20 0 BCADHO CCN1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000040503605 358494370 /nfs/dbraw/zinc/49/43/70/358494370.db2.gz GHTHKXZUQYQZOI-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CNCC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347605454 355232904 /nfs/dbraw/zinc/23/29/04/355232904.db2.gz AIODWEPKJWIEOA-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CNC(=O)CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000113516239 355233680 /nfs/dbraw/zinc/23/36/80/355233680.db2.gz LSHJEPWZEVYLHD-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CC(=O)NCCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000113512594 355247794 /nfs/dbraw/zinc/24/77/94/355247794.db2.gz SNLKBGWBEMBDIT-LBPRGKRZSA-N 1 3 227.352 0.396 20 0 BCADHO CC(=O)NCCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000113512594 355247798 /nfs/dbraw/zinc/24/77/98/355247798.db2.gz SNLKBGWBEMBDIT-LBPRGKRZSA-N 1 3 227.352 0.396 20 0 BCADHO CNCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000166352764 355387470 /nfs/dbraw/zinc/38/74/70/355387470.db2.gz BGRRBABUWNUUHP-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000166352764 355387474 /nfs/dbraw/zinc/38/74/74/355387474.db2.gz BGRRBABUWNUUHP-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO C(CN1CCN(C2CC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000084385217 355360853 /nfs/dbraw/zinc/36/08/53/355360853.db2.gz WLCDPDZNURGOMQ-LBPRGKRZSA-N 1 3 223.364 0.766 20 0 BCADHO NC(=[NH2+])NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000356051200 181188899 /nfs/dbraw/zinc/18/88/99/181188899.db2.gz KCOGINFUVUYWJK-ZDUSSCGKSA-N 1 3 248.330 0.106 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH3+])N(CC)CC ZINC000349967551 355546945 /nfs/dbraw/zinc/54/69/45/355546945.db2.gz UGJKGCJQWUQUDY-QWRGUYRKSA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000583563781 355614623 /nfs/dbraw/zinc/61/46/23/355614623.db2.gz ATBIWUYFPLIHKJ-CKYFFXLPSA-N 1 3 227.352 0.413 20 0 BCADHO CCC[NH2+]CCNC(=O)NC[C@H]1CCCN1C ZINC000417287362 191786168 /nfs/dbraw/zinc/78/61/68/191786168.db2.gz OOYSYEDEZJLXTM-LLVKDONJSA-N 1 3 242.367 0.379 20 0 BCADHO CN1CCC[C@H](CNC(=O)C2(C)C[NH2+]C2)C1 ZINC000399146681 355768184 /nfs/dbraw/zinc/76/81/84/355768184.db2.gz FABGSVIRLACLBH-SNVBAGLBSA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000351746865 356079173 /nfs/dbraw/zinc/07/91/73/356079173.db2.gz HWMLFGWYIYLFQT-SDDRHHMPSA-N 1 3 241.379 0.768 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351745964 356079444 /nfs/dbraw/zinc/07/94/44/356079444.db2.gz DESLHMPHWOMHPE-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351771644 356082966 /nfs/dbraw/zinc/08/29/66/356082966.db2.gz VTKWCRZHPKLIGK-VWYCJHECSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]1CN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000351807792 356088337 /nfs/dbraw/zinc/08/83/37/356088337.db2.gz HYFINKDLXNBLTO-WOPDTQHZSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000351807792 356088343 /nfs/dbraw/zinc/08/83/43/356088343.db2.gz HYFINKDLXNBLTO-WOPDTQHZSA-N 1 3 212.337 0.783 20 0 BCADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](C)N(C)C ZINC000418254913 192005574 /nfs/dbraw/zinc/00/55/74/192005574.db2.gz LDVCVLCCQPHHAM-WDEREUQCSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)[NH+](C)C ZINC000418248979 192006601 /nfs/dbraw/zinc/00/66/01/192006601.db2.gz FWDXHKAQXBUNSA-DCAQKATOSA-N 1 3 242.367 0.328 20 0 BCADHO C[NH2+]CCCNC(=O)N1CCN(C)CC[C@@H]1C ZINC000418306611 192021087 /nfs/dbraw/zinc/02/10/87/192021087.db2.gz KOMGZUURSWXACM-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[NH3+])C1 ZINC000418307622 192021464 /nfs/dbraw/zinc/02/14/64/192021464.db2.gz DPWXDYSWTQVBDG-LLVKDONJSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617750319 356308786 /nfs/dbraw/zinc/30/87/86/356308786.db2.gz AXJHRQOEEGOSEP-NSHDSACASA-N 1 3 229.368 0.783 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617757885 356318302 /nfs/dbraw/zinc/31/83/02/356318302.db2.gz CRGWKYJCJPCPGF-VIFPVBQESA-N 1 3 238.335 0.717 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617757884 356318425 /nfs/dbraw/zinc/31/84/25/356318425.db2.gz CRGWKYJCJPCPGF-SECBINFHSA-N 1 3 238.335 0.717 20 0 BCADHO CC[C@H](C(N)=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337960 192215677 /nfs/dbraw/zinc/21/56/77/192215677.db2.gz XNGFBNQYWAVMRA-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](C(N)=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338209 192216688 /nfs/dbraw/zinc/21/66/88/192216688.db2.gz XNGFBNQYWAVMRA-QJPTWQEYSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420303131 192207657 /nfs/dbraw/zinc/20/76/57/192207657.db2.gz HCVVTUOMCYUUJS-WDEREUQCSA-N 1 3 227.352 0.524 20 0 BCADHO NC(=O)[C@@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000043497672 181267970 /nfs/dbraw/zinc/26/79/70/181267970.db2.gz VSHBJSIEWVJBPC-NSHDSACASA-N 1 3 225.336 0.326 20 0 BCADHO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](C)N ZINC000420363676 192223245 /nfs/dbraw/zinc/22/32/45/192223245.db2.gz PTPUQRDOOWBGRS-IUCAKERBSA-N 1 3 200.282 0.361 20 0 BCADHO COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](C)N ZINC000420363676 192223246 /nfs/dbraw/zinc/22/32/46/192223246.db2.gz PTPUQRDOOWBGRS-IUCAKERBSA-N 1 3 200.282 0.361 20 0 BCADHO COCCCN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420365675 192223654 /nfs/dbraw/zinc/22/36/54/192223654.db2.gz LKIHDHNCILUKQU-OUAUKWLOSA-N 1 3 200.326 0.999 20 0 BCADHO CN(C)C(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420373197 192231594 /nfs/dbraw/zinc/23/15/94/192231594.db2.gz QWYPJYHZCPMBEA-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO Cc1nccn1CCC[N@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420378378 192233440 /nfs/dbraw/zinc/23/34/40/192233440.db2.gz QKOZWEIRPUFKBU-ZYHUDNBSSA-N 1 3 222.336 0.861 20 0 BCADHO Cc1nccn1CCC[N@@H+]1C[C@@H](C)[C@H](N)C1 ZINC000420378378 192233441 /nfs/dbraw/zinc/23/34/41/192233441.db2.gz QKOZWEIRPUFKBU-ZYHUDNBSSA-N 1 3 222.336 0.861 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@@H](N)CC(C)C ZINC000019512411 356484283 /nfs/dbraw/zinc/48/42/83/356484283.db2.gz PRSDSRSMKXMODF-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO NC(=O)[C@H]1CCCCN1CC1CC[NH2+]CC1 ZINC000043497674 181279115 /nfs/dbraw/zinc/27/91/15/181279115.db2.gz VSHBJSIEWVJBPC-LLVKDONJSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)N2CCCNCC2)C[NH2+]1 ZINC000627205540 363502114 /nfs/dbraw/zinc/50/21/14/363502114.db2.gz BSGNVFAJODOUGV-QWRGUYRKSA-N 1 3 240.351 0.132 20 0 BCADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(N)CCC1 ZINC000336215750 134136578 /nfs/dbraw/zinc/13/65/78/134136578.db2.gz HJQQFBZRUUFKHM-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1(N)CCC1 ZINC000336215750 134136579 /nfs/dbraw/zinc/13/65/79/134136579.db2.gz HJQQFBZRUUFKHM-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC[NH+]1CCC(N[C@H](CCO)COC)CC1 ZINC000168057321 134155916 /nfs/dbraw/zinc/15/59/16/134155916.db2.gz QLYLEDSZHYQLRF-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CC[NH+](CC)CCN(CCOC)C(=O)[C@H](C)N ZINC000167674355 134153823 /nfs/dbraw/zinc/15/38/23/134153823.db2.gz YMIAJCLSDSOOEE-NSHDSACASA-N 1 3 245.367 0.150 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000582248205 356679073 /nfs/dbraw/zinc/67/90/73/356679073.db2.gz OYOJCKPYTWWGAL-QWRGUYRKSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632881191 356665415 /nfs/dbraw/zinc/66/54/15/356665415.db2.gz ZAKMZEVQADUWKE-ZJUUUORDSA-N 1 3 233.315 0.498 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036192233 356707052 /nfs/dbraw/zinc/70/70/52/356707052.db2.gz SDFARXHROFNTKZ-PWSUYJOCSA-N 1 3 241.379 0.912 20 0 BCADHO CCN1C[C@@H](C)N(CCOCC[NH3+])C[C@@H]1C ZINC000578193718 366379652 /nfs/dbraw/zinc/37/96/52/366379652.db2.gz KRWWQJQZISOVAA-NWDGAFQWSA-N 1 3 229.368 0.376 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)CC[NH2+]C ZINC000357240639 356820173 /nfs/dbraw/zinc/82/01/73/356820173.db2.gz MIJSVULKRYNKQJ-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H](C)C[NH3+] ZINC000357254083 356820196 /nfs/dbraw/zinc/82/01/96/356820196.db2.gz YQTHLZPKDBWYJU-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@]1(C)CO ZINC000639850466 356853251 /nfs/dbraw/zinc/85/32/51/356853251.db2.gz VRTGCOLOWDKMDW-FRRDWIJNSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@]1(C)CO ZINC000639850466 356853253 /nfs/dbraw/zinc/85/32/53/356853253.db2.gz VRTGCOLOWDKMDW-FRRDWIJNSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@]1(C)CO ZINC000639850468 356853299 /nfs/dbraw/zinc/85/32/99/356853299.db2.gz VRTGCOLOWDKMDW-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@]1(C)CO ZINC000639850468 356853301 /nfs/dbraw/zinc/85/33/01/356853301.db2.gz VRTGCOLOWDKMDW-JHJVBQTASA-N 1 3 242.363 0.288 20 0 BCADHO CCC[C@](C)(N)C(=O)NCCCC[NH+](C)C ZINC000041679626 358513298 /nfs/dbraw/zinc/51/32/98/358513298.db2.gz GKVRHCVBNMYMPR-LBPRGKRZSA-N 1 3 229.368 0.962 20 0 BCADHO C[C@@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156114136 538768731 /nfs/dbraw/zinc/76/87/31/538768731.db2.gz KFNZBTPDCRCACF-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H](O)CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000156114136 538768739 /nfs/dbraw/zinc/76/87/39/538768739.db2.gz KFNZBTPDCRCACF-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000390614817 357107350 /nfs/dbraw/zinc/10/73/50/357107350.db2.gz GNVWMHMPTFNPOZ-KXUCPTDWSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000390614821 357107386 /nfs/dbraw/zinc/10/73/86/357107386.db2.gz GNVWMHMPTFNPOZ-OPRDCNLKSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000389942456 357070517 /nfs/dbraw/zinc/07/05/17/357070517.db2.gz PFIZNFTVLGIJMH-YIZRAAEISA-N 1 3 201.314 0.071 20 0 BCADHO CC(C)[NH2+]CCN1CCO[C@@H](CN(C)C)C1 ZINC000193439949 357072985 /nfs/dbraw/zinc/07/29/85/357072985.db2.gz AAAHTLATGGUOGM-LBPRGKRZSA-N 1 3 229.368 0.247 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000389945578 357073273 /nfs/dbraw/zinc/07/32/73/357073273.db2.gz QMTNWGNVYQRVOM-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](CC(N)=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000389945578 357073275 /nfs/dbraw/zinc/07/32/75/357073275.db2.gz QMTNWGNVYQRVOM-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000377150264 357225994 /nfs/dbraw/zinc/22/59/94/357225994.db2.gz FGHSMFNHYRMHOO-GXSJLCMTSA-N 1 3 231.315 0.322 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CO)CC1 ZINC000393564978 357287670 /nfs/dbraw/zinc/28/76/70/357287670.db2.gz QBXUWYUQWFJHNK-STQMWFEESA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1CCC[C@H](CO)CC1 ZINC000393564978 357287671 /nfs/dbraw/zinc/28/76/71/357287671.db2.gz QBXUWYUQWFJHNK-STQMWFEESA-N 1 3 244.379 0.393 20 0 BCADHO C[N@H+](C[C@H](O)CNCCC(C)(C)O)C1CC1 ZINC000393759473 357296736 /nfs/dbraw/zinc/29/67/36/357296736.db2.gz VJNMCGUJQMXNLL-LLVKDONJSA-N 1 3 230.352 0.192 20 0 BCADHO C[N@@H+](C[C@H](O)CNCCC(C)(C)O)C1CC1 ZINC000393759473 357296737 /nfs/dbraw/zinc/29/67/37/357296737.db2.gz VJNMCGUJQMXNLL-LLVKDONJSA-N 1 3 230.352 0.192 20 0 BCADHO CN(CC[NH3+])C(=O)[C@@H](CN)c1ccccc1 ZINC000582486318 357318448 /nfs/dbraw/zinc/31/84/48/357318448.db2.gz GUQSUPBCTUZZOW-NSHDSACASA-N 1 3 221.304 0.146 20 0 BCADHO [NH3+]C1(CNCCN2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000582546922 357332143 /nfs/dbraw/zinc/33/21/43/357332143.db2.gz TZGQLPUJNBPEJO-TXEJJXNPSA-N 1 3 239.363 0.321 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000582605314 357349303 /nfs/dbraw/zinc/34/93/03/357349303.db2.gz PJNKCHMXJJABAM-PWSUYJOCSA-N 1 3 235.331 0.582 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000582617382 357354454 /nfs/dbraw/zinc/35/44/54/357354454.db2.gz VGLPPFYZNIJRJG-GXSJLCMTSA-N 1 3 225.336 0.289 20 0 BCADHO CN(C)C[C@H](O)C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623408516 357405797 /nfs/dbraw/zinc/40/57/97/357405797.db2.gz YVTXJHWIHXAAGY-NWDGAFQWSA-N 1 3 243.395 0.371 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C1CC[NH2+]CC1 ZINC000582962555 357439089 /nfs/dbraw/zinc/43/90/89/357439089.db2.gz HWDDLWVFMVEERQ-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000583024251 357452507 /nfs/dbraw/zinc/45/25/07/357452507.db2.gz ROBLEYROIKGUNM-GXSJLCMTSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@@H](O)[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000583079825 357473811 /nfs/dbraw/zinc/47/38/11/357473811.db2.gz NIZKBAUJMVBVST-NWDGAFQWSA-N 1 3 243.395 0.371 20 0 BCADHO C[NH2+]CCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000583082923 357474600 /nfs/dbraw/zinc/47/46/00/357474600.db2.gz RBIVSLREDIIVTE-ZDUSSCGKSA-N 1 3 247.342 0.599 20 0 BCADHO COC[C@H](C)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396554966 357480998 /nfs/dbraw/zinc/48/09/98/357480998.db2.gz GFDPPAONRXSFPA-GMTAPVOTSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@@H](c1ccccn1)N1CCC(O)(C[NH3+])CC1 ZINC000397028461 357490044 /nfs/dbraw/zinc/49/00/44/357490044.db2.gz NWTPDRDSOGMGCG-NSHDSACASA-N 1 3 235.331 0.928 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000188705826 357565875 /nfs/dbraw/zinc/56/58/75/357565875.db2.gz SRARWELIYOMNRE-SNVBAGLBSA-N 1 3 247.342 0.762 20 0 BCADHO O=C(NCc1ccc2c(c1)CNC2)[C@@H]1CCC[NH2+]1 ZINC000188723521 357565897 /nfs/dbraw/zinc/56/58/97/357565897.db2.gz QUGWIYDIFSPSPI-ZDUSSCGKSA-N 1 3 245.326 0.658 20 0 BCADHO CCCC[C@H](N)C(=O)NCCOCC[NH+](C)C ZINC000232988637 357688497 /nfs/dbraw/zinc/68/84/97/357688497.db2.gz FOQZVKWSBWQQEC-NSHDSACASA-N 1 3 245.367 0.198 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H]1NCCCC1(C)C ZINC000234361417 357792883 /nfs/dbraw/zinc/79/28/83/357792883.db2.gz WODPGGOGKZBLAK-NSHDSACASA-N 1 3 241.379 0.833 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000086065019 357808578 /nfs/dbraw/zinc/80/85/78/357808578.db2.gz PKPCVGPWLQINQB-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000086070269 357817722 /nfs/dbraw/zinc/81/77/22/357817722.db2.gz NFRFNQJPOZEVNJ-QWRGUYRKSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CC[N@@H+]1C ZINC000399068237 357895300 /nfs/dbraw/zinc/89/53/00/357895300.db2.gz MZBKUDXFLSFRLO-JLLWLGSASA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H](N)C2CCC2)CC[N@H+]1C ZINC000399068237 357895302 /nfs/dbraw/zinc/89/53/02/357895302.db2.gz MZBKUDXFLSFRLO-JLLWLGSASA-N 1 3 239.363 0.713 20 0 BCADHO CCCN(CCN(C)C)C(=O)C1(C)C[NH2+]C1 ZINC000399168410 357897952 /nfs/dbraw/zinc/89/79/52/357897952.db2.gz BZNBPANFPLYVEQ-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO CC1(C(=O)N2CC[C@H](N3CCCC3)C2)C[NH2+]C1 ZINC000399302255 357902033 /nfs/dbraw/zinc/90/20/33/357902033.db2.gz PGTWRLTVRWHYCK-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO C[NH+](C)CC1(CNCCC(N)=O)CCCC1 ZINC000584525339 358038850 /nfs/dbraw/zinc/03/88/50/358038850.db2.gz CKTGUWNLJBODRY-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2(N)CC2)C1 ZINC000169026843 134248855 /nfs/dbraw/zinc/24/88/55/134248855.db2.gz AQJGYHUARXRVER-VHSXEESVSA-N 1 3 225.336 0.467 20 0 BCADHO O=C(CNC1CC1)NCCC[NH+]1CCCCC1 ZINC000037609160 358083580 /nfs/dbraw/zinc/08/35/80/358083580.db2.gz HRTPVSXRUHSPDB-UHFFFAOYSA-N 1 3 239.363 0.731 20 0 BCADHO Cc1cnn(CCN[C@](C)(C[NH3+])C2CC2)c1 ZINC000584604432 358104924 /nfs/dbraw/zinc/10/49/24/358104924.db2.gz SKSUWGHKKMRNFB-GFCCVEGCSA-N 1 3 222.336 0.909 20 0 BCADHO CC(C)[NH2+]CCC(=O)NC[C@H]1CCCN1C ZINC000224048454 358231273 /nfs/dbraw/zinc/23/12/73/358231273.db2.gz NFYLOMHXYHSCDJ-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)CNC2CC2)C1 ZINC000040624520 358244207 /nfs/dbraw/zinc/24/42/07/358244207.db2.gz SVKFRZZPTLHQFQ-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[N@H+]1CC[C@H](CNC(=O)CNC2CC2)C1 ZINC000040624520 358244211 /nfs/dbraw/zinc/24/42/11/358244211.db2.gz SVKFRZZPTLHQFQ-LLVKDONJSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768293 358245905 /nfs/dbraw/zinc/24/59/05/358245905.db2.gz SVTSVCGZRJTUDH-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[NH2+]C ZINC000041680295 358334100 /nfs/dbraw/zinc/33/41/00/358334100.db2.gz KCOZHTHEZRYMCY-UHFFFAOYSA-N 1 3 201.314 0.006 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653215033 491128387 /nfs/dbraw/zinc/12/83/87/491128387.db2.gz MFSDBVRXVNVGDW-ZJUUUORDSA-N 1 3 227.352 0.605 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)CNC1CC1 ZINC000229094528 358345009 /nfs/dbraw/zinc/34/50/09/358345009.db2.gz FHVDANAHPWOUTJ-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)CNC1CC1 ZINC000229094528 358345012 /nfs/dbraw/zinc/34/50/12/358345012.db2.gz FHVDANAHPWOUTJ-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CCC[NH3+])C1 ZINC000044538894 358389636 /nfs/dbraw/zinc/38/96/36/358389636.db2.gz QJVIIWQMZRPEDV-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCSCCCO)C1 ZINC000230784303 358410968 /nfs/dbraw/zinc/41/09/68/358410968.db2.gz OLEXZZKNSGABOU-MNOVXSKESA-N 1 3 232.393 0.962 20 0 BCADHO CO[C@@H]1CCCN(CCN2CC[NH2+]CC2)C1 ZINC000230316188 358397589 /nfs/dbraw/zinc/39/75/89/358397589.db2.gz KJXZPWAMAMHHED-GFCCVEGCSA-N 1 3 227.352 0.002 20 0 BCADHO CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)C(N)=O ZINC000230382136 358397763 /nfs/dbraw/zinc/39/77/63/358397763.db2.gz OZDGVPANFKEEGR-DTWKUNHWSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)(C[NH2+][C@@H]1CCC[C@H](N)C1)C(N)=O ZINC000230382136 358397768 /nfs/dbraw/zinc/39/77/68/358397768.db2.gz OZDGVPANFKEEGR-DTWKUNHWSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)([NH3+])CNCCCOC[C@H]1CCCO1 ZINC000309420349 358449780 /nfs/dbraw/zinc/44/97/80/358449780.db2.gz WPUYAZJGXQXYAX-LLVKDONJSA-N 1 3 230.352 0.899 20 0 BCADHO CN(C)CCOCC[NH2+][C@@H]1CCCOCC1 ZINC000219314351 134281138 /nfs/dbraw/zinc/28/11/38/134281138.db2.gz AEECGAXMZHSIBZ-GFCCVEGCSA-N 1 3 230.352 0.723 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(C)=O ZINC000125554584 358541917 /nfs/dbraw/zinc/54/19/17/358541917.db2.gz DEDALUOAGAOXES-ZDUSSCGKSA-N 1 3 241.379 0.881 20 0 BCADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(C)=O ZINC000125554584 358541921 /nfs/dbraw/zinc/54/19/21/358541921.db2.gz DEDALUOAGAOXES-ZDUSSCGKSA-N 1 3 241.379 0.881 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN(C)CC1 ZINC000086270940 358566084 /nfs/dbraw/zinc/56/60/84/358566084.db2.gz NKXAOXKRVZWAIE-KOLCDFICSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)C1CC1 ZINC000086271921 358573603 /nfs/dbraw/zinc/57/36/03/358573603.db2.gz GFBFLVOYQARZMK-GXSJLCMTSA-N 1 3 225.336 0.195 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000133783504 358767706 /nfs/dbraw/zinc/76/77/06/358767706.db2.gz JWYREZNXSUNHOW-WDEREUQCSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C1)N(C)C ZINC000132324431 358718850 /nfs/dbraw/zinc/71/88/50/358718850.db2.gz QYGIULZZLMPCDX-VHSXEESVSA-N 1 3 213.325 0.132 20 0 BCADHO CC[NH+](CC)CCNC(=O)N(C)CCN(C)C ZINC000176130535 134290387 /nfs/dbraw/zinc/29/03/87/134290387.db2.gz NUOUHGAENKQRCY-UHFFFAOYSA-N 1 3 244.383 0.531 20 0 BCADHO C[NH2+]CCCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000132927088 358739441 /nfs/dbraw/zinc/73/94/41/358739441.db2.gz OUZCBRTVRAXPCX-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H](N)C(C)C ZINC000220073790 134299159 /nfs/dbraw/zinc/29/91/59/134299159.db2.gz BFSFJXYBRDPNOU-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H](N)C(C)C ZINC000220073790 134299160 /nfs/dbraw/zinc/29/91/60/134299160.db2.gz BFSFJXYBRDPNOU-LLVKDONJSA-N 1 3 229.368 0.818 20 0 BCADHO CS(=O)(=O)CCCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000086403384 358967976 /nfs/dbraw/zinc/96/79/76/358967976.db2.gz HFGPNBVYGRZNFA-ZJUUUORDSA-N 1 3 234.365 0.281 20 0 BCADHO CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000086403384 358967979 /nfs/dbraw/zinc/96/79/79/358967979.db2.gz HFGPNBVYGRZNFA-ZJUUUORDSA-N 1 3 234.365 0.281 20 0 BCADHO C[C@@H]1COCCN1CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000578337745 366528358 /nfs/dbraw/zinc/52/83/58/366528358.db2.gz PSTNUMVVLQSKEA-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]1COCCN1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000578337743 366528435 /nfs/dbraw/zinc/52/84/35/366528435.db2.gz PSTNUMVVLQSKEA-FRRDWIJNSA-N 1 3 241.379 0.567 20 0 BCADHO CC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC000070944672 359066537 /nfs/dbraw/zinc/06/65/37/359066537.db2.gz UYULLBAZWHOWEH-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246489952 359121025 /nfs/dbraw/zinc/12/10/25/359121025.db2.gz HBLRCYCVDMDGMP-WCQYABFASA-N 1 3 224.348 0.927 20 0 BCADHO OCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246489952 359121028 /nfs/dbraw/zinc/12/10/28/359121028.db2.gz HBLRCYCVDMDGMP-WCQYABFASA-N 1 3 224.348 0.927 20 0 BCADHO CCC[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N(C)C ZINC000423611893 192818732 /nfs/dbraw/zinc/81/87/32/192818732.db2.gz ORZFXTZULBWUQB-WCQYABFASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623454904 359616277 /nfs/dbraw/zinc/61/62/77/359616277.db2.gz SZUJMUSPYWWFGH-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623454904 359616278 /nfs/dbraw/zinc/61/62/78/359616278.db2.gz SZUJMUSPYWWFGH-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000578356908 366537122 /nfs/dbraw/zinc/53/71/22/366537122.db2.gz JXUMPUYWKUQKIM-FXQIFTODSA-N 1 3 235.278 0.226 20 0 BCADHO C[C@@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309075728 491144159 /nfs/dbraw/zinc/14/41/59/491144159.db2.gz KFNZBTPDCRCACF-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H](O)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309075728 491144160 /nfs/dbraw/zinc/14/41/60/491144160.db2.gz KFNZBTPDCRCACF-WOPDTQHZSA-N 1 3 212.337 0.974 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000578360326 366538807 /nfs/dbraw/zinc/53/88/07/366538807.db2.gz AYQSIVIZTGHBOL-OUAUKWLOSA-N 1 3 225.336 0.276 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578364848 366539504 /nfs/dbraw/zinc/53/95/04/366539504.db2.gz KUZCANZJRPBDQN-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000578444061 366569621 /nfs/dbraw/zinc/56/96/21/366569621.db2.gz KEBSYUXPBKEIFC-HBNTYKKESA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(CCN2CCO[C@H](C)C2)C1 ZINC000578868057 366661336 /nfs/dbraw/zinc/66/13/36/366661336.db2.gz OBDSILKYCFJVMO-JHJVBQTASA-N 1 3 241.379 0.376 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2CN(C)CCO2)CC1 ZINC000091666841 360122092 /nfs/dbraw/zinc/12/20/92/360122092.db2.gz HVEAXHKPISMNKE-CYBMUJFWSA-N 1 3 241.379 0.391 20 0 BCADHO CN(CCNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000612879843 360151933 /nfs/dbraw/zinc/15/19/33/360151933.db2.gz DMDBPDDLDNKJCX-LBPRGKRZSA-N 1 3 240.351 0.132 20 0 BCADHO C[C@H](O)C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000306588953 360494427 /nfs/dbraw/zinc/49/44/27/360494427.db2.gz WGPXBAIVRMIXDW-ZNSHCXBVSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@H](O)C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000306588953 360494434 /nfs/dbraw/zinc/49/44/34/360494434.db2.gz WGPXBAIVRMIXDW-ZNSHCXBVSA-N 1 3 200.326 0.672 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C)CC[N@@H+]1C ZINC000629450833 361076628 /nfs/dbraw/zinc/07/66/28/361076628.db2.gz DPKXTAZHBUJZEK-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2C)CC[N@H+]1C ZINC000629450833 361076634 /nfs/dbraw/zinc/07/66/34/361076634.db2.gz DPKXTAZHBUJZEK-GRYCIOLGSA-N 1 3 239.363 0.537 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCCC1 ZINC000375940833 181324645 /nfs/dbraw/zinc/32/46/45/181324645.db2.gz IGHIOLGIAYTSJV-WDEREUQCSA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)CC[C@H](CO)N[C@@H](C)C1C[NH2+]C1 ZINC000629523296 361124054 /nfs/dbraw/zinc/12/40/54/361124054.db2.gz LDJDFDLIRVHZPB-CMPLNLGQSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)CC[C@H](CO)[NH2+][C@@H](C)C1CNC1 ZINC000629523296 361124057 /nfs/dbraw/zinc/12/40/57/361124057.db2.gz LDJDFDLIRVHZPB-CMPLNLGQSA-N 1 3 214.353 0.981 20 0 BCADHO NC1(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000237788313 181325717 /nfs/dbraw/zinc/32/57/17/181325717.db2.gz UXXUOIKELJSAHU-UHFFFAOYSA-N 1 3 239.363 0.860 20 0 BCADHO NC1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCCC1 ZINC000368644351 181327069 /nfs/dbraw/zinc/32/70/69/181327069.db2.gz CVWSPJWORUPDER-SNVBAGLBSA-N 1 3 237.347 0.516 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000250940021 181328453 /nfs/dbraw/zinc/32/84/53/181328453.db2.gz ZECYPNUATXVLCZ-GHMZBOCLSA-N 1 3 237.347 0.611 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC1 ZINC000250940021 181328455 /nfs/dbraw/zinc/32/84/55/181328455.db2.gz ZECYPNUATXVLCZ-GHMZBOCLSA-N 1 3 237.347 0.611 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000428195256 201001640 /nfs/dbraw/zinc/00/16/40/201001640.db2.gz HNJAUJLZAJBEEV-GMTAPVOTSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000428363624 201011635 /nfs/dbraw/zinc/01/16/35/201011635.db2.gz ZNONNEOFXVWFCN-GARJFASQSA-N 1 3 225.336 0.419 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000428426339 201016298 /nfs/dbraw/zinc/01/62/98/201016298.db2.gz ZIVSPINIJFUOTN-MNOVXSKESA-N 1 3 227.352 0.393 20 0 BCADHO C[C@H]([NH3+])CCN[C@@H](C1CC1)[C@H]1CNCCO1 ZINC000622044481 370677276 /nfs/dbraw/zinc/67/72/76/370677276.db2.gz HPPGHLYDAIBBNI-WCQGTBRESA-N 1 3 227.352 0.080 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000428518750 201026202 /nfs/dbraw/zinc/02/62/02/201026202.db2.gz SINLHUBJVCZDLZ-NSHDSACASA-N 1 3 227.352 0.526 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH3+])N(CC)CC ZINC000428491722 201026729 /nfs/dbraw/zinc/02/67/29/201026729.db2.gz ZJUWWOHJPQEFEL-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428950104 201051093 /nfs/dbraw/zinc/05/10/93/201051093.db2.gz DDVVLYLHULQPSB-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000429132792 201070302 /nfs/dbraw/zinc/07/03/02/201070302.db2.gz FMIUTMAJBGWRJN-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000429156113 201073807 /nfs/dbraw/zinc/07/38/07/201073807.db2.gz DSVIABNYWCJSCU-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428954364 201052213 /nfs/dbraw/zinc/05/22/13/201052213.db2.gz IIEKNKOSGXTBCU-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CCCN(C)CC(=O)NC1CCC([NH3+])CC1 ZINC000428977466 201054655 /nfs/dbraw/zinc/05/46/55/201054655.db2.gz NFZLBKUDNHSJBR-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](NC(=O)[C@@H]1CCCCN1)[C@H]1CCC[NH2+]C1 ZINC000428981506 201055031 /nfs/dbraw/zinc/05/50/31/201055031.db2.gz QQONYHHDGJDOCX-SRVKXCTJSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@H](NC(=O)[C@@H]1CCCCN1)[C@@H]1CCC[NH2+]C1 ZINC000428981507 201055397 /nfs/dbraw/zinc/05/53/97/201055397.db2.gz QQONYHHDGJDOCX-TUAOUCFPSA-N 1 3 239.363 0.633 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428975275 201055457 /nfs/dbraw/zinc/05/54/57/201055457.db2.gz HENVMAJQPWKKOZ-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000429030684 201061738 /nfs/dbraw/zinc/06/17/38/201061738.db2.gz RVPQVZXHTBYWED-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429069030 201065783 /nfs/dbraw/zinc/06/57/83/201065783.db2.gz OURVRJBHQNGTKW-TUAOUCFPSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000429069028 201066850 /nfs/dbraw/zinc/06/68/50/201066850.db2.gz OURVRJBHQNGTKW-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000429393399 201106994 /nfs/dbraw/zinc/10/69/94/201106994.db2.gz KFESKPJJYQUWNH-NHCYSSNCSA-N 1 3 227.352 0.713 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000429289535 201096937 /nfs/dbraw/zinc/09/69/37/201096937.db2.gz BZEWFNDIAVBHGW-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000429324019 201102630 /nfs/dbraw/zinc/10/26/30/201102630.db2.gz YYJCXJMKNVZBQM-GARJFASQSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429554773 201116128 /nfs/dbraw/zinc/11/61/28/201116128.db2.gz CGMVEMKBCXYAJZ-UMNHJUIQSA-N 1 3 239.363 0.713 20 0 BCADHO CN(CCNC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000579452070 366805337 /nfs/dbraw/zinc/80/53/37/366805337.db2.gz OTQIGUYHKYJDKU-JTQLQIEISA-N 1 3 240.351 0.132 20 0 BCADHO CN(CCN[C@H]1CCC[C@H]1[NH3+])CC(F)F ZINC000629555952 361448833 /nfs/dbraw/zinc/44/88/33/361448833.db2.gz JTIMRAPPSGDLQV-BDAKNGLRSA-N 1 3 221.295 0.653 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000579475456 366823640 /nfs/dbraw/zinc/82/36/40/366823640.db2.gz VTYPWSVMABGRHO-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000579475456 366823646 /nfs/dbraw/zinc/82/36/46/366823646.db2.gz VTYPWSVMABGRHO-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO N[C@H]1CCCCC[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000629555708 361449094 /nfs/dbraw/zinc/44/90/94/361449094.db2.gz BECVGFBLDWRCDW-RWMBFGLXSA-N 1 3 241.379 0.303 20 0 BCADHO [NH3+][C@H]1CCCCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000629555708 361449099 /nfs/dbraw/zinc/44/90/99/361449099.db2.gz BECVGFBLDWRCDW-RWMBFGLXSA-N 1 3 241.379 0.303 20 0 BCADHO CN(CCN[C@H]1CCC[C@@H]1[NH3+])CC(F)F ZINC000629555954 361449227 /nfs/dbraw/zinc/44/92/27/361449227.db2.gz JTIMRAPPSGDLQV-IUCAKERBSA-N 1 3 221.295 0.653 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCN1C ZINC000629551965 361444277 /nfs/dbraw/zinc/44/42/77/361444277.db2.gz YQJDENBXVDVLJQ-SDDRHHMPSA-N 1 3 211.353 0.668 20 0 BCADHO O[C@@H](CN[C@@H]1[C@@H]2CCC[C@@H]21)C[NH+]1CCCC1 ZINC000629579682 361466540 /nfs/dbraw/zinc/46/65/40/361466540.db2.gz OZFVHXOOVZCCDU-RVMXOQNASA-N 1 3 224.348 0.831 20 0 BCADHO CO[C@@H](CN(C)CCOCC[NH3+])C1CCC1 ZINC000629581348 361470817 /nfs/dbraw/zinc/47/08/17/361470817.db2.gz XERVYMXUZSHGAN-LBPRGKRZSA-N 1 3 230.352 0.709 20 0 BCADHO C[C@@H]([NH3+])C1CCN(CCN2CCCC2=O)CC1 ZINC000430947332 201160244 /nfs/dbraw/zinc/16/02/44/201160244.db2.gz DGGMOXNKJWBLFI-LLVKDONJSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000433172922 201162790 /nfs/dbraw/zinc/16/27/90/201162790.db2.gz DTCHHFAMMSEIJK-VWYCJHECSA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)N(C)C ZINC000629612500 361499526 /nfs/dbraw/zinc/49/95/26/361499526.db2.gz DLPULAFFFLUOKT-VHSXEESVSA-N 1 3 213.325 0.147 20 0 BCADHO CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)N(C)C ZINC000629610422 361500500 /nfs/dbraw/zinc/50/05/00/361500500.db2.gz CPBFLSMJDXCROP-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)N(C)C ZINC000629610421 361500707 /nfs/dbraw/zinc/50/07/07/361500707.db2.gz CPBFLSMJDXCROP-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)N(C)C ZINC000629611734 361501034 /nfs/dbraw/zinc/50/10/34/361501034.db2.gz CXRHNIXTXZXWOW-DGCLKSJQSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H]([NH3+])C1)N(C)C ZINC000629611337 361501559 /nfs/dbraw/zinc/50/15/59/361501559.db2.gz RKNJNLRVQRWISC-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)N(C)C ZINC000629611334 361501775 /nfs/dbraw/zinc/50/17/75/361501775.db2.gz RKNJNLRVQRWISC-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](C(=O)NCC([NH3+])(CC)CC)N(C)C ZINC000629612244 361502056 /nfs/dbraw/zinc/50/20/56/361502056.db2.gz YVFZSVZTIDNJAJ-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N(C)C ZINC000629612233 361502144 /nfs/dbraw/zinc/50/21/44/361502144.db2.gz YLXUINAYXMTUNS-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000629612040 361502280 /nfs/dbraw/zinc/50/22/80/361502280.db2.gz PVSKETONHJXMPU-OUAUKWLOSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@@H](C(=O)NCC([NH3+])(CC)CC)N(C)C ZINC000629612243 361502595 /nfs/dbraw/zinc/50/25/95/361502595.db2.gz YVFZSVZTIDNJAJ-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@H](C(=O)NCC[NH2+]C1CC1)N(C)C ZINC000629615240 361503993 /nfs/dbraw/zinc/50/39/93/361503993.db2.gz TUIPPAJZBHSCIY-SNVBAGLBSA-N 1 3 213.325 0.195 20 0 BCADHO CO[C@H]1C[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629614668 361504037 /nfs/dbraw/zinc/50/40/37/361504037.db2.gz BHXHYJPWRNSUMI-SRVKXCTJSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N(C)C ZINC000629615390 361504232 /nfs/dbraw/zinc/50/42/32/361504232.db2.gz OMKTULVUTOZJSH-IJLUTSLNSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@H](C(=O)N1CCC(CC[NH3+])CC1)N(C)C ZINC000629615963 361504970 /nfs/dbraw/zinc/50/49/70/361504970.db2.gz USVDIPPCGQSGCN-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H](C(=O)N1CC2CC1(C[NH3+])C2)N(C)C ZINC000629613653 361507675 /nfs/dbraw/zinc/50/76/75/361507675.db2.gz QFIDNHYWKXBZPA-YZRBJQDESA-N 1 3 225.336 0.276 20 0 BCADHO Cc1ccc(O)c(CN(C)CCOCC[NH3+])n1 ZINC000629665945 361587752 /nfs/dbraw/zinc/58/77/52/361587752.db2.gz YRIPSFYLGYZICU-UHFFFAOYSA-N 1 3 239.319 0.503 20 0 BCADHO CN(CCOCC[NH3+])Cc1ccn(C)c1 ZINC000629667194 361588977 /nfs/dbraw/zinc/58/89/77/361588977.db2.gz VMZNFUJXZICIPR-UHFFFAOYSA-N 1 3 211.309 0.432 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000434697416 201233204 /nfs/dbraw/zinc/23/32/04/201233204.db2.gz ONEBIJKOORCXIB-NHCYSSNCSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000434682311 201234030 /nfs/dbraw/zinc/23/40/30/201234030.db2.gz VUJQZIQAQDETFM-PWSUYJOCSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N(C)C ZINC000434708094 201237418 /nfs/dbraw/zinc/23/74/18/201237418.db2.gz UISCCZSTPGPNRC-TUAOUCFPSA-N 1 3 241.379 0.829 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000434712118 201237640 /nfs/dbraw/zinc/23/76/40/201237640.db2.gz UEDDKRYXIAPOLE-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000434712118 201237644 /nfs/dbraw/zinc/23/76/44/201237644.db2.gz UEDDKRYXIAPOLE-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000434712118 201237646 /nfs/dbraw/zinc/23/76/46/201237646.db2.gz UEDDKRYXIAPOLE-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000154618756 201285268 /nfs/dbraw/zinc/28/52/68/201285268.db2.gz JMJYSXAICQQBOT-QWRGUYRKSA-N 1 3 229.368 0.544 20 0 BCADHO CCCN(C)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000435756989 201286532 /nfs/dbraw/zinc/28/65/32/201286532.db2.gz WSDSSRIELTZZQG-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)C[NH2+]C ZINC000154731735 201291023 /nfs/dbraw/zinc/29/10/23/201291023.db2.gz KQJBUGZYMYKUAD-AEJSXWLSSA-N 1 3 215.341 0.332 20 0 BCADHO C[C@@H](C(=O)NCCN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000155346392 201324640 /nfs/dbraw/zinc/32/46/40/201324640.db2.gz OFJWXRJFGFFQKU-UTUOFQBUSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000155695325 201345060 /nfs/dbraw/zinc/34/50/60/201345060.db2.gz PVXFZGHFFQRGIC-FOGDFJRCSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000155695325 201345063 /nfs/dbraw/zinc/34/50/63/201345063.db2.gz PVXFZGHFFQRGIC-FOGDFJRCSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000627245622 363849335 /nfs/dbraw/zinc/84/93/35/363849335.db2.gz QVTUWKPORSIIAV-XWLWVQCSSA-N 1 3 240.351 0.129 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC000094295365 487527819 /nfs/dbraw/zinc/52/78/19/487527819.db2.gz PZKVHMFLOOFNQG-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO NC(=[NH2+])NC[C@@H]1CCN1C1CCCCC1 ZINC000630387063 364101405 /nfs/dbraw/zinc/10/14/05/364101405.db2.gz GFNBLNUVTOTTLD-JTQLQIEISA-N 1 3 210.325 0.876 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615310746 364685438 /nfs/dbraw/zinc/68/54/38/364685438.db2.gz XUXYPARZLJGXNB-NWDGAFQWSA-N 1 3 241.379 0.879 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615310747 364685455 /nfs/dbraw/zinc/68/54/55/364685455.db2.gz XUXYPARZLJGXNB-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000573325822 364800569 /nfs/dbraw/zinc/80/05/69/364800569.db2.gz SZYVWNYPVLHXAI-LPEHRKFASA-N 1 3 227.352 0.603 20 0 BCADHO [NH3+]CCCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000037812625 181371194 /nfs/dbraw/zinc/37/11/94/181371194.db2.gz XNYJLDFKTGFSTE-SNVBAGLBSA-N 1 3 211.309 0.032 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328187967 364816580 /nfs/dbraw/zinc/81/65/80/364816580.db2.gz OPDRJIUDXFFHGY-UTUOFQBUSA-N 1 3 212.337 0.961 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000328187967 364816583 /nfs/dbraw/zinc/81/65/83/364816583.db2.gz OPDRJIUDXFFHGY-UTUOFQBUSA-N 1 3 212.337 0.961 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000573488003 364845598 /nfs/dbraw/zinc/84/55/98/364845598.db2.gz MCPMLMIFBOKFJX-XKSSXDPKSA-N 1 3 201.314 0.356 20 0 BCADHO [NH3+]CCCC(=O)NC1CCN(C2CC2)CC1 ZINC000037042460 181371394 /nfs/dbraw/zinc/37/13/94/181371394.db2.gz NUNWBQJELUNCLT-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO [NH3+]CCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726748 181372855 /nfs/dbraw/zinc/37/28/55/181372855.db2.gz SUOAUHSTMZGWGL-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000573699576 364896497 /nfs/dbraw/zinc/89/64/97/364896497.db2.gz SRVRUPUOVWGWEN-WDEREUQCSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H]([NH3+])c1ccc(CNC(=O)C2(N)CC2)cc1 ZINC000573913110 364942311 /nfs/dbraw/zinc/94/23/11/364942311.db2.gz SYUCBNJQLUJIJR-VIFPVBQESA-N 1 3 233.315 0.814 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)NCCC[NH3+] ZINC000304226918 181382297 /nfs/dbraw/zinc/38/22/97/181382297.db2.gz JKJBBINTCNWDFI-LLVKDONJSA-N 1 3 227.352 0.749 20 0 BCADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)N(C)C ZINC000168986336 365048326 /nfs/dbraw/zinc/04/83/26/365048326.db2.gz BSCIRPNBNUPIBX-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@](C[NH3+])(NC(=O)[C@H](N)CC(F)F)C1CC1 ZINC000574400223 365054193 /nfs/dbraw/zinc/05/41/93/365054193.db2.gz CMMFHMRAKLLTIJ-XCBNKYQSSA-N 1 3 235.278 0.213 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000574689495 365120800 /nfs/dbraw/zinc/12/08/00/365120800.db2.gz JVKNFRXJFDQDJP-GRYCIOLGSA-N 1 3 237.347 0.149 20 0 BCADHO C[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000575124870 365213121 /nfs/dbraw/zinc/21/31/21/365213121.db2.gz KVVDKKZURRYZIL-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000575198650 365240009 /nfs/dbraw/zinc/24/00/09/365240009.db2.gz SAVGMAOLCZUZBI-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000575198650 365240013 /nfs/dbraw/zinc/24/00/13/365240013.db2.gz SAVGMAOLCZUZBI-NWDGAFQWSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CC[NH2+]1 ZINC000444181824 193039598 /nfs/dbraw/zinc/03/95/98/193039598.db2.gz JXKRIXUMVLIWNC-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN2CCC[C@@H]2C1 ZINC000444168553 193039697 /nfs/dbraw/zinc/03/96/97/193039697.db2.gz PCSQAVOPNWGIFV-MBNYWOFBSA-N 1 3 249.358 0.293 20 0 BCADHO NC1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCC1 ZINC000444263455 193043841 /nfs/dbraw/zinc/04/38/41/193043841.db2.gz GIFGUPAAZHADDN-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444269233 193043980 /nfs/dbraw/zinc/04/39/80/193043980.db2.gz WUPVUNOVLKCPSE-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO CSC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000575377977 365305404 /nfs/dbraw/zinc/30/54/04/365305404.db2.gz WSHJSTURYAUSCR-YATPEIPISA-N 1 3 244.404 0.925 20 0 BCADHO CSC[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000575377977 365305410 /nfs/dbraw/zinc/30/54/10/365305410.db2.gz WSHJSTURYAUSCR-YATPEIPISA-N 1 3 244.404 0.925 20 0 BCADHO CC[C@H](O)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000580769594 366869062 /nfs/dbraw/zinc/86/90/62/366869062.db2.gz XFKSJUFJZOBKKG-ZDUSSCGKSA-N 1 3 243.395 0.373 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000575923853 365415090 /nfs/dbraw/zinc/41/50/90/365415090.db2.gz NNLHJLDZCQHOGT-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000575923853 365415093 /nfs/dbraw/zinc/41/50/93/365415093.db2.gz NNLHJLDZCQHOGT-HBNTYKKESA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000575923852 365416602 /nfs/dbraw/zinc/41/66/02/365416602.db2.gz NNLHJLDZCQHOGT-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000575923852 365416604 /nfs/dbraw/zinc/41/66/04/365416604.db2.gz NNLHJLDZCQHOGT-GARJFASQSA-N 1 3 225.336 0.276 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000575869625 365395899 /nfs/dbraw/zinc/39/58/99/365395899.db2.gz DTBUWLWSAXOFJN-NGZCFLSTSA-N 1 3 215.341 0.746 20 0 BCADHO CC(C)[C@@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000575868744 365396423 /nfs/dbraw/zinc/39/64/23/365396423.db2.gz KLPFCMOZVWIHHS-OLZOCXBDSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[C@@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575868744 365396426 /nfs/dbraw/zinc/39/64/26/365396426.db2.gz KLPFCMOZVWIHHS-OLZOCXBDSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[C@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000575868743 365396491 /nfs/dbraw/zinc/39/64/91/365396491.db2.gz KLPFCMOZVWIHHS-CHWSQXEVSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[C@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000575868743 365396493 /nfs/dbraw/zinc/39/64/93/365396493.db2.gz KLPFCMOZVWIHHS-CHWSQXEVSA-N 1 3 244.379 0.438 20 0 BCADHO C[C@H](N)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000576041116 365459957 /nfs/dbraw/zinc/45/99/57/365459957.db2.gz FGWRYKKGASPGCW-IUCAKERBSA-N 1 3 221.304 0.670 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)C2CC2)C1 ZINC000576122054 365494709 /nfs/dbraw/zinc/49/47/09/365494709.db2.gz VFWUTJGNWXZDGX-IJLUTSLNSA-N 1 3 212.337 0.864 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](N)C1CCC1 ZINC000579709127 366986891 /nfs/dbraw/zinc/98/68/91/366986891.db2.gz WQZGUAMNRREDKW-WPRPVWTQSA-N 1 3 213.325 0.086 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000579714089 366989127 /nfs/dbraw/zinc/98/91/27/366989127.db2.gz VFYDRVVTPHLJRC-SECBINFHSA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)[NH2+]CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000579853765 367053207 /nfs/dbraw/zinc/05/32/07/367053207.db2.gz AKSXQTHWIKMLKA-NEPJUHHUSA-N 1 3 241.379 0.926 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000579972481 367109591 /nfs/dbraw/zinc/10/95/91/367109591.db2.gz YMSUQVDFXPBIPU-NSHDSACASA-N 1 3 249.358 0.972 20 0 BCADHO CC[C@@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381110711 367351901 /nfs/dbraw/zinc/35/19/01/367351901.db2.gz ZXKGPFATTPSSTN-VXGBXAGGSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381110711 367351908 /nfs/dbraw/zinc/35/19/08/367351908.db2.gz ZXKGPFATTPSSTN-VXGBXAGGSA-N 1 3 230.352 0.192 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000381240575 367369543 /nfs/dbraw/zinc/36/95/43/367369543.db2.gz MYZPJUKICBEDCP-BBBLOLIVSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000382948424 367571483 /nfs/dbraw/zinc/57/14/83/367571483.db2.gz KXSZEPAIOXJXKW-JTQLQIEISA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](C)NC1CC1 ZINC000382948424 367571489 /nfs/dbraw/zinc/57/14/89/367571489.db2.gz KXSZEPAIOXJXKW-JTQLQIEISA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CC[NH2+]1 ZINC000384797463 367734466 /nfs/dbraw/zinc/73/44/66/367734466.db2.gz AUOCLZPORVFSPF-GMTAPVOTSA-N 1 3 223.320 0.043 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000384836014 367739935 /nfs/dbraw/zinc/73/99/35/367739935.db2.gz OVCAVSRZDNSUIF-WDEREUQCSA-N 1 3 223.320 0.045 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000566206121 326013156 /nfs/dbraw/zinc/01/31/56/326013156.db2.gz OXIHXWJSOWLDSD-NAKRPEOUSA-N 1 3 227.352 0.617 20 0 BCADHO COCCOCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000386564317 367993668 /nfs/dbraw/zinc/99/36/68/367993668.db2.gz JZFHVVZNNUTYHM-VXGBXAGGSA-N 1 3 230.352 0.770 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442596174 201576552 /nfs/dbraw/zinc/57/65/52/201576552.db2.gz DRSVYNVKBBTNOR-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H](CN)c1ccccc1 ZINC000566854546 326088454 /nfs/dbraw/zinc/08/84/54/326088454.db2.gz XWCABUDVSCRFIS-CMPLNLGQSA-N 1 3 235.331 0.582 20 0 BCADHO CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000081018627 368566809 /nfs/dbraw/zinc/56/68/09/368566809.db2.gz FCVQJOTZNMDWEL-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@@H](CNC1=[NH+]CCCN1)N1CCCC1 ZINC000066245288 368642440 /nfs/dbraw/zinc/64/24/40/368642440.db2.gz VEYSIMMNQQXCPT-NSHDSACASA-N 1 3 224.352 0.800 20 0 BCADHO CCN(CC)CC(=O)NCC(C)(C)[NH+](C)C ZINC000069976621 368761089 /nfs/dbraw/zinc/76/10/89/368761089.db2.gz IEMGOQIBPUBPMX-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000085283354 368864484 /nfs/dbraw/zinc/86/44/84/368864484.db2.gz CLDIMBXVPURQPP-TUAOUCFPSA-N 1 3 210.321 0.707 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000091394510 369011473 /nfs/dbraw/zinc/01/14/73/369011473.db2.gz WMDKXCDYJDOFSY-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000309823806 326170530 /nfs/dbraw/zinc/17/05/30/326170530.db2.gz WXGYTVHGTISKSD-LPEHRKFASA-N 1 3 213.325 0.165 20 0 BCADHO FC(F)[C@@H]1CNCCN1CC1CC[NH2+]CC1 ZINC000567613202 326228988 /nfs/dbraw/zinc/22/89/88/326228988.db2.gz RXRVGRVOEOIYST-JTQLQIEISA-N 1 3 233.306 0.525 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000404961895 369441948 /nfs/dbraw/zinc/44/19/48/369441948.db2.gz KDWXQXFRBIQHOF-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC[NH+]1CCC(NCCN2CCCC2=O)CC1 ZINC000405441570 369461278 /nfs/dbraw/zinc/46/12/78/369461278.db2.gz PRBPARYUUQKMRS-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO OCCNC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000631862270 369503269 /nfs/dbraw/zinc/50/32/69/369503269.db2.gz HMQDHNPQBSKHHS-CYBMUJFWSA-N 1 3 242.363 0.602 20 0 BCADHO CCC[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000567907874 326281538 /nfs/dbraw/zinc/28/15/38/326281538.db2.gz DGGWBGBMYRMYQO-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000252644859 370105343 /nfs/dbraw/zinc/10/53/43/370105343.db2.gz PKPCVGPWLQINQB-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1)N(C)C ZINC000620902288 370049823 /nfs/dbraw/zinc/04/98/23/370049823.db2.gz RBULISQYHKFJDW-WOPDTQHZSA-N 1 3 241.379 0.926 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684485 370434647 /nfs/dbraw/zinc/43/46/47/370434647.db2.gz NCXARTRULDICJQ-OPQQBVKSSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621684729 370434878 /nfs/dbraw/zinc/43/48/78/370434878.db2.gz RKMLWHDJRIDUFF-QXEWZRGKSA-N 1 3 211.309 0.064 20 0 BCADHO [NH3+][C@@]12CCC[C@H]1CN(C(=O)CNC1CC1)C2 ZINC000621698529 370444307 /nfs/dbraw/zinc/44/43/07/370444307.db2.gz ZYCPYNNHYNNONE-JOYOIKCWSA-N 1 3 223.320 0.078 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H]1CNCCC1(F)F ZINC000621704518 370452515 /nfs/dbraw/zinc/45/25/15/370452515.db2.gz XDPGKSCATDOOMB-JGVFFNPUSA-N 1 3 235.278 0.085 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621690553 370438669 /nfs/dbraw/zinc/43/86/69/370438669.db2.gz VVCIDAKGUUTPGH-YPMHNXCESA-N 1 3 239.363 0.668 20 0 BCADHO CCn1nccc1CCN1CC[C@@H](C[NH3+])C1 ZINC000621773924 370518235 /nfs/dbraw/zinc/51/82/35/370518235.db2.gz GJXYDWMOYNQYOJ-NSHDSACASA-N 1 3 222.336 0.726 20 0 BCADHO CCn1nccc1CCN1CC[C@H](C[NH3+])C1 ZINC000621773923 370518417 /nfs/dbraw/zinc/51/84/17/370518417.db2.gz GJXYDWMOYNQYOJ-LLVKDONJSA-N 1 3 222.336 0.726 20 0 BCADHO COC(=O)C1(CNC[C@@]2(C)CC[NH2+]C2)CC1 ZINC000568749701 326374832 /nfs/dbraw/zinc/37/48/32/326374832.db2.gz LILIJMAETPCWHF-NSHDSACASA-N 1 3 226.320 0.529 20 0 BCADHO C[C@H]1OCC[C@@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825862 372603288 /nfs/dbraw/zinc/60/32/88/372603288.db2.gz XKGBHIXTPOEVAX-KKOKHZNYSA-N 1 3 210.321 0.563 20 0 BCADHO O=C(CC[C@H]1CC[NH2+]C1)NCCN1CCCC1 ZINC000134480531 181926606 /nfs/dbraw/zinc/92/66/06/181926606.db2.gz HOZQNUNZBOMQJO-LBPRGKRZSA-N 1 3 239.363 0.588 20 0 BCADHO CN(C[C@@H]1CCc2ncnn21)CC(C)(C)C[NH3+] ZINC000631821691 372597250 /nfs/dbraw/zinc/59/72/50/372597250.db2.gz GBMSTNULCAMSOS-JTQLQIEISA-N 1 3 237.351 0.682 20 0 BCADHO C[N@H+](C[C@@H]1CCc2ncnn21)CC(C)(C)CN ZINC000631821691 372597252 /nfs/dbraw/zinc/59/72/52/372597252.db2.gz GBMSTNULCAMSOS-JTQLQIEISA-N 1 3 237.351 0.682 20 0 BCADHO C[N@@H+](C[C@@H]1CCc2ncnn21)CC(C)(C)CN ZINC000631821691 372597257 /nfs/dbraw/zinc/59/72/57/372597257.db2.gz GBMSTNULCAMSOS-JTQLQIEISA-N 1 3 237.351 0.682 20 0 BCADHO C[N@H+](C[C@@H]1CCc2ncnn21)C1(CN)CCC1 ZINC000631827760 372607827 /nfs/dbraw/zinc/60/78/27/372607827.db2.gz WFUJANUWIKIUNT-JTQLQIEISA-N 1 3 235.335 0.579 20 0 BCADHO C[N@@H+](C[C@@H]1CCc2ncnn21)C1(CN)CCC1 ZINC000631827760 372607828 /nfs/dbraw/zinc/60/78/28/372607828.db2.gz WFUJANUWIKIUNT-JTQLQIEISA-N 1 3 235.335 0.579 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@H]1CCCCO1 ZINC000631830093 372612894 /nfs/dbraw/zinc/61/28/94/372612894.db2.gz JCZFTHDIFCSRCP-GFCCVEGCSA-N 1 3 230.352 0.723 20 0 BCADHO CC(C)OCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844402 372643514 /nfs/dbraw/zinc/64/35/14/372643514.db2.gz XCUCKIVBIPXZDK-GHMZBOCLSA-N 1 3 200.326 0.938 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@H](N)C[C@H]1C ZINC000631860544 372659954 /nfs/dbraw/zinc/65/99/54/372659954.db2.gz KVTHWBYQGPRUMA-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@H](N)C[C@H]1C ZINC000631860544 372659958 /nfs/dbraw/zinc/65/99/58/372659958.db2.gz KVTHWBYQGPRUMA-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1OCC[C@H]1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000631825863 372603887 /nfs/dbraw/zinc/60/38/87/372603887.db2.gz XKGBHIXTPOEVAX-KXNHARMFSA-N 1 3 210.321 0.563 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C[C@@H]1CCc2ncnn21 ZINC000631826762 372605626 /nfs/dbraw/zinc/60/56/26/372605626.db2.gz WLMTWVDUCFWYTH-NEPJUHHUSA-N 1 3 249.362 0.969 20 0 BCADHO O=C(C[C@H]1CCC[NH2+]1)NCCN1CCCCC1 ZINC000049575445 182027649 /nfs/dbraw/zinc/02/76/49/182027649.db2.gz OXPXRBKFHDOVPG-GFCCVEGCSA-N 1 3 239.363 0.731 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000632869323 373200444 /nfs/dbraw/zinc/20/04/44/373200444.db2.gz JHRGIMIDMYMRHD-QWRGUYRKSA-N 1 3 247.342 0.759 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCC[NH2+]1 ZINC000037042422 182116466 /nfs/dbraw/zinc/11/64/66/182116466.db2.gz JJCQTFZKYTWDNO-GFCCVEGCSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000376694170 182200177 /nfs/dbraw/zinc/20/01/77/182200177.db2.gz FGYUIADVUDOUEK-ZYHUDNBSSA-N 1 3 243.326 0.194 20 0 BCADHO CC[C@@H]1OCC[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000459782332 206015946 /nfs/dbraw/zinc/01/59/46/206015946.db2.gz ULCWLPORQMHPKW-XQQFMLRXSA-N 1 3 242.363 0.599 20 0 BCADHO CC[C@@H]1OCC[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000459782332 206015950 /nfs/dbraw/zinc/01/59/50/206015950.db2.gz ULCWLPORQMHPKW-XQQFMLRXSA-N 1 3 242.363 0.599 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418388713 206017492 /nfs/dbraw/zinc/01/74/92/206017492.db2.gz NLJFTQBBKVAHQT-GARJFASQSA-N 1 3 242.367 0.234 20 0 BCADHO CC[N@H+](CCNC(=O)C(C)(C)N)C(C)C ZINC000167200562 206143698 /nfs/dbraw/zinc/14/36/98/206143698.db2.gz QHYTYCVNTBXSDC-UHFFFAOYSA-N 1 3 215.341 0.570 20 0 BCADHO CC[N@@H+](CCNC(=O)C(C)(C)N)C(C)C ZINC000167200562 206143703 /nfs/dbraw/zinc/14/37/03/206143703.db2.gz QHYTYCVNTBXSDC-UHFFFAOYSA-N 1 3 215.341 0.570 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCCN1 ZINC000132019844 169002311 /nfs/dbraw/zinc/00/23/11/169002311.db2.gz QLSPJOBNKIFZFP-MNOVXSKESA-N 1 3 227.352 0.762 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000309768750 169006870 /nfs/dbraw/zinc/00/68/70/169006870.db2.gz JYXDXZFONMMEJC-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000037484942 169007087 /nfs/dbraw/zinc/00/70/87/169007087.db2.gz TWGJYSXRARKWDZ-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000037484942 169007090 /nfs/dbraw/zinc/00/70/90/169007090.db2.gz TWGJYSXRARKWDZ-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359398420 169068141 /nfs/dbraw/zinc/06/81/41/169068141.db2.gz XRLBDMXLIUMPMW-PHIMTYICSA-N 1 3 225.336 0.006 20 0 BCADHO CCCN(C)CC(=O)NCC1CC[NH+](C)CC1 ZINC000359295679 169071662 /nfs/dbraw/zinc/07/16/62/169071662.db2.gz WDJGMLFFCUGHMI-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)CNC)C1 ZINC000236764458 169079020 /nfs/dbraw/zinc/07/90/20/169079020.db2.gz NTZVKQWOZFTDSN-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CNC)C1 ZINC000236764458 169079022 /nfs/dbraw/zinc/07/90/22/169079022.db2.gz NTZVKQWOZFTDSN-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CCCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)NC ZINC000051919243 169170096 /nfs/dbraw/zinc/17/00/96/169170096.db2.gz CJBRIPNVBFOVLM-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CCC[NH+]1CCC(N(C)C(=O)CNC)CC1 ZINC000038100756 169186078 /nfs/dbraw/zinc/18/60/78/169186078.db2.gz YUKROONWGBBUCK-UHFFFAOYSA-N 1 3 227.352 0.539 20 0 BCADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000336716338 169189129 /nfs/dbraw/zinc/18/91/29/169189129.db2.gz PZULBTMJRAHGJK-LBPRGKRZSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN1CCCN(C(=O)C2C[NH2+]C2)CC1 ZINC000364883325 169191197 /nfs/dbraw/zinc/19/11/97/169191197.db2.gz UQVCOGNIDLMULW-UHFFFAOYSA-N 1 3 225.336 0.150 20 0 BCADHO CCCN1CCCN(C(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000370782829 169192556 /nfs/dbraw/zinc/19/25/56/169192556.db2.gz VKMNYLPMQHSDOZ-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000236764008 169194821 /nfs/dbraw/zinc/19/48/21/169194821.db2.gz XSLKXFQHIOBEPQ-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236764705 169194955 /nfs/dbraw/zinc/19/49/55/169194955.db2.gz YSRAZLGDMHHHJJ-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC ZINC000358950054 169195368 /nfs/dbraw/zinc/19/53/68/169195368.db2.gz WKZMQCXPNKMQBO-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH2+]CCNC(=O)C1(N)CCCC1 ZINC000236901275 169258104 /nfs/dbraw/zinc/25/81/04/169258104.db2.gz LOYTXVOHVPBWOV-UHFFFAOYSA-N 1 3 213.325 0.374 20 0 BCADHO CCCNC(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000111612166 169241070 /nfs/dbraw/zinc/24/10/70/169241070.db2.gz MVHHJZGASYNTQI-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357354512 169387721 /nfs/dbraw/zinc/38/77/21/169387721.db2.gz OCAYILQQKWKLAS-GHMZBOCLSA-N 1 3 227.352 0.844 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942926 169388030 /nfs/dbraw/zinc/38/80/30/169388030.db2.gz LQBUWMWOHOQPGB-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942926 169388031 /nfs/dbraw/zinc/38/80/31/169388031.db2.gz LQBUWMWOHOQPGB-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000178818590 134315587 /nfs/dbraw/zinc/31/55/87/134315587.db2.gz VTEVNAGCTAXDQD-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](N)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000178818590 134315588 /nfs/dbraw/zinc/31/55/88/134315588.db2.gz VTEVNAGCTAXDQD-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@]1(C)CCCCN1 ZINC000180897525 134332193 /nfs/dbraw/zinc/33/21/93/134332193.db2.gz OWVGIEPDCROBPU-CMPLNLGQSA-N 1 3 227.352 0.490 20 0 BCADHO C[C@H](CN(C)C)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000358521439 383843389 /nfs/dbraw/zinc/84/33/89/383843389.db2.gz JALFPGAKZGMMMS-AOOOYVTPSA-N 1 3 230.356 0.186 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)CN(C)C ZINC000358521439 383843392 /nfs/dbraw/zinc/84/33/92/383843392.db2.gz JALFPGAKZGMMMS-AOOOYVTPSA-N 1 3 230.356 0.186 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCCN(C)CC1 ZINC000069838988 383848489 /nfs/dbraw/zinc/84/84/89/383848489.db2.gz HVYSIIUPNVSRLO-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO C[C@H]1CC[C@H](CN(C)CCOCC[NH3+])O1 ZINC000301051485 383879930 /nfs/dbraw/zinc/87/99/30/383879930.db2.gz UPCPDLTXURQSEE-WDEREUQCSA-N 1 3 216.325 0.461 20 0 BCADHO CC[C@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@@H]1[NH3+] ZINC000648124829 383850984 /nfs/dbraw/zinc/85/09/84/383850984.db2.gz CXLAJNZRLBVHID-SRVKXCTJSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2)CC[C@H]1[NH3+] ZINC000648124831 383851245 /nfs/dbraw/zinc/85/12/45/383851245.db2.gz CXLAJNZRLBVHID-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CCOCC[NH3+])CCOCC(F)(F)F ZINC000301054048 383881589 /nfs/dbraw/zinc/88/15/89/383881589.db2.gz ZOGIWVCJPZHMQB-UHFFFAOYSA-N 1 3 244.257 0.472 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000037001335 383927042 /nfs/dbraw/zinc/92/70/42/383927042.db2.gz CRVPWBQRIRUHHP-QWRGUYRKSA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575503 383961247 /nfs/dbraw/zinc/96/12/47/383961247.db2.gz BNUQULQLIXKXCG-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CO[C@@H]1CCC[C@@H](NC[C@H]2C[NH2+]CCCO2)C1 ZINC000643542395 383966874 /nfs/dbraw/zinc/96/68/74/383966874.db2.gz KOPUKQDLWBUIQB-JHJVBQTASA-N 1 3 242.363 0.912 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000449358968 383971494 /nfs/dbraw/zinc/97/14/94/383971494.db2.gz HAMNSEAXTZXZCW-SKDRFNHKSA-N 1 3 237.347 0.480 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566295677 383974162 /nfs/dbraw/zinc/97/41/62/383974162.db2.gz DXBRVEGUTKNDRU-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCN(CCNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000566295674 383974237 /nfs/dbraw/zinc/97/42/37/383974237.db2.gz DXBRVEGUTKNDRU-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1NCCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1C ZINC000648127344 384023476 /nfs/dbraw/zinc/02/34/76/384023476.db2.gz MCFOTBOIMYAMKE-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000648127731 384054563 /nfs/dbraw/zinc/05/45/63/384054563.db2.gz UQGFMBNISOGHFZ-QJPTWQEYSA-N 1 3 239.363 0.585 20 0 BCADHO Cn1cncc1CCN1CC[C@H](C[NH3+])C1 ZINC000401812731 384055991 /nfs/dbraw/zinc/05/59/91/384055991.db2.gz VIDDOGCTMMNCBU-SNVBAGLBSA-N 1 3 208.309 0.243 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000648127921 384058396 /nfs/dbraw/zinc/05/83/96/384058396.db2.gz OORPBVFTKBLXBW-WRWGMCAJSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@H](C)[C@@H]2C)CC[N@H+]1C ZINC000648127921 384058399 /nfs/dbraw/zinc/05/83/99/384058399.db2.gz OORPBVFTKBLXBW-WRWGMCAJSA-N 1 3 239.363 0.535 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000569455634 384061703 /nfs/dbraw/zinc/06/17/03/384061703.db2.gz OMTDNCCTSFFJRQ-KXUCPTDWSA-N 1 3 213.325 0.213 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000569455629 384062437 /nfs/dbraw/zinc/06/24/37/384062437.db2.gz OMTDNCCTSFFJRQ-IVZWLZJFSA-N 1 3 213.325 0.213 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)N ZINC000077307734 384066886 /nfs/dbraw/zinc/06/68/86/384066886.db2.gz LCSCEMRTNIRTGB-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)N ZINC000077307734 384066894 /nfs/dbraw/zinc/06/68/94/384066894.db2.gz LCSCEMRTNIRTGB-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CCCC[NH3+])CN1C1CC1 ZINC000572600402 384081207 /nfs/dbraw/zinc/08/12/07/384081207.db2.gz SLJCYOSURSOSDR-WDEREUQCSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CCCC[NH3+])CN1C1CC1 ZINC000572600400 384082399 /nfs/dbraw/zinc/08/23/99/384082399.db2.gz SLJCYOSURSOSDR-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C)NC[C@H]1C ZINC000449381371 384099241 /nfs/dbraw/zinc/09/92/41/384099241.db2.gz RSWFMIDGLQJYMJ-LMLFDSFASA-N 1 3 225.336 0.051 20 0 BCADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000335895226 384092790 /nfs/dbraw/zinc/09/27/90/384092790.db2.gz JWJZROXWXPXONQ-WDEREUQCSA-N 1 3 239.363 0.762 20 0 BCADHO CN(C)C[C@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000040809103 384165155 /nfs/dbraw/zinc/16/51/55/384165155.db2.gz NUWBVKNWFTVFSE-LBPRGKRZSA-N 1 3 235.331 0.754 20 0 BCADHO CN(C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080992987 384179012 /nfs/dbraw/zinc/17/90/12/384179012.db2.gz DLVLBQRQBGPMKK-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO Cn1cncc1CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000401878344 384192305 /nfs/dbraw/zinc/19/23/05/384192305.db2.gz OVTMSZAYDORFAI-GFCCVEGCSA-N 1 3 236.363 0.940 20 0 BCADHO Cn1cncc1CC[NH2+][C@@H]1CCNCC1(C)C ZINC000401878344 384192308 /nfs/dbraw/zinc/19/23/08/384192308.db2.gz OVTMSZAYDORFAI-GFCCVEGCSA-N 1 3 236.363 0.940 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@H](N)C(C)C ZINC000309457050 384221882 /nfs/dbraw/zinc/22/18/82/384221882.db2.gz NWGJLBLNKPVQDP-SECBINFHSA-N 1 3 215.341 0.603 20 0 BCADHO CC(C)(CC[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000644164930 384242752 /nfs/dbraw/zinc/24/27/52/384242752.db2.gz IVXCQGUVYKEGQP-QMMMGPOBSA-N 1 3 249.305 0.475 20 0 BCADHO [NH3+]CC[C@H]1CCCN(CC(=O)NC2CC2)C1 ZINC000069626431 384246476 /nfs/dbraw/zinc/24/64/76/384246476.db2.gz WGXYBAVTDKSWDF-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CNCCC1(F)F ZINC000644164355 384247401 /nfs/dbraw/zinc/24/74/01/384247401.db2.gz HSTNLZYJDLDCKK-CIUDSAMLSA-N 1 3 247.289 0.179 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)C1(N)CCCC1 ZINC000648144312 384248848 /nfs/dbraw/zinc/24/88/48/384248848.db2.gz DXMGDPCQRLWQJP-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158644102 384253379 /nfs/dbraw/zinc/25/33/79/384253379.db2.gz RHHPFVFQRFJLCN-CYBMUJFWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1CNCCC1(F)F ZINC000648144483 384265300 /nfs/dbraw/zinc/26/53/00/384265300.db2.gz DRKWJRBDTNJWBI-BDAKNGLRSA-N 1 3 249.305 0.475 20 0 BCADHO N[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1CCC1 ZINC000569574690 384267224 /nfs/dbraw/zinc/26/72/24/384267224.db2.gz OJYBESFQKGRJRJ-JGVFFNPUSA-N 1 3 235.278 0.213 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)[C@H](C)N ZINC000083348430 384298303 /nfs/dbraw/zinc/29/83/03/384298303.db2.gz GRUVMKGFVYLZIU-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)C1(N)CC1 ZINC000083835728 384336831 /nfs/dbraw/zinc/33/68/31/384336831.db2.gz UULDYWFXHLTPIW-VIFPVBQESA-N 1 3 213.325 0.324 20 0 BCADHO COC[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CN ZINC000084221236 384377185 /nfs/dbraw/zinc/37/71/85/384377185.db2.gz KZNHLONFFBSLGS-MXWKQRLJSA-N 1 3 200.326 0.986 20 0 BCADHO CC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000084200471 384379057 /nfs/dbraw/zinc/37/90/57/384379057.db2.gz CNKRAZMOGFPGIB-UWVGGRQHSA-N 1 3 211.309 0.030 20 0 BCADHO CC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000084200471 384379067 /nfs/dbraw/zinc/37/90/67/384379067.db2.gz CNKRAZMOGFPGIB-UWVGGRQHSA-N 1 3 211.309 0.030 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)CC(C)(C)[NH3+])C1 ZINC000178703002 384389582 /nfs/dbraw/zinc/38/95/82/384389582.db2.gz ZQQOSEASRYKMAS-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180645 384477088 /nfs/dbraw/zinc/47/70/88/384477088.db2.gz KOTGDVYJRLGBOL-ZJUUUORDSA-N 1 3 225.336 0.515 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(N)CCC2)C1 ZINC000148270085 384534586 /nfs/dbraw/zinc/53/45/86/384534586.db2.gz KADKNMWIRXTPKH-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000037812641 384534620 /nfs/dbraw/zinc/53/46/20/384534620.db2.gz CNKRAZMOGFPGIB-ZJUUUORDSA-N 1 3 211.309 0.030 20 0 BCADHO CC[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000037812641 384534625 /nfs/dbraw/zinc/53/46/25/384534625.db2.gz CNKRAZMOGFPGIB-ZJUUUORDSA-N 1 3 211.309 0.030 20 0 BCADHO C[NH+](C)CC1CCN(C(=O)C2(N)CCC2)CC1 ZINC000147989013 384536558 /nfs/dbraw/zinc/53/65/58/384536558.db2.gz FGFSSEZSAADQMT-UHFFFAOYSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000561194541 384554030 /nfs/dbraw/zinc/55/40/30/384554030.db2.gz NFMUBNWFIOILHR-LMLFDSFASA-N 1 3 225.336 0.193 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000236648103 384539150 /nfs/dbraw/zinc/53/91/50/384539150.db2.gz DIJJLRJPVZJVGB-VXGBXAGGSA-N 1 3 241.379 0.912 20 0 BCADHO CC[NH2+]CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000151351642 384569025 /nfs/dbraw/zinc/56/90/25/384569025.db2.gz ATGRVQKGGLJQOT-UHFFFAOYSA-N 1 3 247.342 0.208 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)C1CCN(C)CC1 ZINC000236831489 384584953 /nfs/dbraw/zinc/58/49/53/384584953.db2.gz NPQQVKXAKQNNFX-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000236825477 384585680 /nfs/dbraw/zinc/58/56/80/384585680.db2.gz MJFXBZRHHJFLIK-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2(N)CC2)C1 ZINC000236825477 384585690 /nfs/dbraw/zinc/58/56/90/384585690.db2.gz MJFXBZRHHJFLIK-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CCN(CC)CC(=O)N1CCC(C[NH3+])CC1 ZINC000236837332 384589184 /nfs/dbraw/zinc/58/91/84/384589184.db2.gz LEUJQXMYCYXASH-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+][C@H](C)[C@H](C)O ZINC000647530371 384608346 /nfs/dbraw/zinc/60/83/46/384608346.db2.gz AOINIOVZZQSQEU-GRYCIOLGSA-N 1 3 232.368 0.438 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309803617 384627468 /nfs/dbraw/zinc/62/74/68/384627468.db2.gz RPMIYGFLTCBJOD-ZJUUUORDSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)C[NH+]1CCCCC1 ZINC000050464198 384628741 /nfs/dbraw/zinc/62/87/41/384628741.db2.gz PIMWGZSTSSJVQD-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)(N)C(=O)NCCC[NH+]1CCCC1 ZINC000040920516 384631175 /nfs/dbraw/zinc/63/11/75/384631175.db2.gz CNVCGYFSNALGQJ-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCCC[NH3+] ZINC000040832457 384596431 /nfs/dbraw/zinc/59/64/31/384596431.db2.gz DCZKKKXQKACDOX-IUCAKERBSA-N 1 3 201.314 0.215 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000309827666 384648007 /nfs/dbraw/zinc/64/80/07/384648007.db2.gz XSIRTDPMCMDPEZ-UTLUCORTSA-N 1 3 213.325 0.308 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449595560 384653907 /nfs/dbraw/zinc/65/39/07/384653907.db2.gz UPIPMFDCNKRXJO-HLTSFMKQSA-N 1 3 201.314 0.212 20 0 BCADHO Cn1nncc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545773 384725325 /nfs/dbraw/zinc/72/53/25/384725325.db2.gz PUBKILNSYWAKNS-RYUDHWBXSA-N 1 3 249.362 0.637 20 0 BCADHO COC[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)OC ZINC000300359983 384687228 /nfs/dbraw/zinc/68/72/28/384687228.db2.gz QVNOYBUESTUPKG-WOPDTQHZSA-N 1 3 230.352 0.720 20 0 BCADHO COC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)OC ZINC000300359983 384687235 /nfs/dbraw/zinc/68/72/35/384687235.db2.gz QVNOYBUESTUPKG-WOPDTQHZSA-N 1 3 230.352 0.720 20 0 BCADHO C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@H](C)[NH3+] ZINC000449603445 384687765 /nfs/dbraw/zinc/68/77/65/384687765.db2.gz QUGQRAXEWMLJDR-ZRUFSTJUSA-N 1 3 227.352 0.711 20 0 BCADHO C[C@@H](O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000336659937 384687951 /nfs/dbraw/zinc/68/79/51/384687951.db2.gz BRCROGVSYSKJCR-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H](O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336659937 384687955 /nfs/dbraw/zinc/68/79/55/384687955.db2.gz BRCROGVSYSKJCR-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)C[NH+]1CCCCC1 ZINC000050464200 384698028 /nfs/dbraw/zinc/69/80/28/384698028.db2.gz PIMWGZSTSSJVQD-UTUOFQBUSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H](C(=O)NCC1C[NH2+]C1)[C@H](N)c1ccccc1 ZINC000646901967 384713355 /nfs/dbraw/zinc/71/33/55/384713355.db2.gz WBOJQCKYVUIKDC-MFKMUULPSA-N 1 3 247.342 0.658 20 0 BCADHO C[C@H](Cn1cccn1)NC[C@@]1(C)CC[NH2+]C1 ZINC000647549713 384747257 /nfs/dbraw/zinc/74/72/57/384747257.db2.gz NXPSYFOLQWRGBB-NEPJUHHUSA-N 1 3 222.336 0.861 20 0 BCADHO CN(C(=O)[C@H]1NCC1(C)C)C1CC[NH2+]CC1 ZINC000647673243 384750313 /nfs/dbraw/zinc/75/03/13/384750313.db2.gz GCRYHASRCQPEFW-SNVBAGLBSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H](C[NH2+]CC1(C)COC1)CN(C)C ZINC000308586421 384831716 /nfs/dbraw/zinc/83/17/16/384831716.db2.gz SENHISLWPQPIQJ-SNVBAGLBSA-N 1 3 200.326 0.810 20 0 BCADHO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000309737973 384785480 /nfs/dbraw/zinc/78/54/80/384785480.db2.gz GXHYFNFPQWRXDL-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000309737973 384785485 /nfs/dbraw/zinc/78/54/85/384785485.db2.gz GXHYFNFPQWRXDL-VWYCJHECSA-N 1 3 227.352 0.713 20 0 BCADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000236899356 384788786 /nfs/dbraw/zinc/78/87/86/384788786.db2.gz IFHJPLVADUWMGF-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1NCC1(C)C ZINC000648190277 384802729 /nfs/dbraw/zinc/80/27/29/384802729.db2.gz NFIYJZGCNCOKDS-CIUDSAMLSA-N 1 3 213.325 0.226 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@H]1CNCCC1(F)F ZINC000648178166 384804006 /nfs/dbraw/zinc/80/40/06/384804006.db2.gz XEUDYDZSOSWWPT-SECBINFHSA-N 1 3 249.305 0.299 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)CN)C1 ZINC000236902448 384808603 /nfs/dbraw/zinc/80/86/03/384808603.db2.gz QRCAIDMWVGWHPU-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CCN(CC)CC(=O)NCC1=CC[NH2+]CC1 ZINC000186371448 384839713 /nfs/dbraw/zinc/83/97/13/384839713.db2.gz HLIKXFBHGMGHAF-UHFFFAOYSA-N 1 3 225.336 0.364 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210093 384853394 /nfs/dbraw/zinc/85/33/94/384853394.db2.gz JTZDUZUEUOWPLJ-NXEZZACHSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[NH2+]C1 ZINC000262654488 384905941 /nfs/dbraw/zinc/90/59/41/384905941.db2.gz BYHFSAHWZBPQAD-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CN1CCC(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000257755552 384925391 /nfs/dbraw/zinc/92/53/91/384925391.db2.gz ZYGASYFJVMVNSQ-NSHDSACASA-N 1 3 239.363 0.444 20 0 BCADHO NC[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178531042 384959511 /nfs/dbraw/zinc/95/95/11/384959511.db2.gz NUSSYEPFHJLROF-AAEUAGOBSA-N 1 3 247.342 0.536 20 0 BCADHO O=C(NC1CC[NH2+]CC1)[C@@H]1CNCCC1(F)F ZINC000647605577 384926760 /nfs/dbraw/zinc/92/67/60/384926760.db2.gz XPYWBRGOGXVHLL-VIFPVBQESA-N 1 3 247.289 0.099 20 0 BCADHO NCc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000647607478 384936800 /nfs/dbraw/zinc/93/68/00/384936800.db2.gz ROLJZEDPRDEFDZ-JLLWLGSASA-N 1 3 231.299 0.834 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000258884561 384942773 /nfs/dbraw/zinc/94/27/73/384942773.db2.gz USJPFFFPWOYMMN-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](C[NH+]1CCCC1)NCCC(N)=O ZINC000644569334 384967023 /nfs/dbraw/zinc/96/70/23/384967023.db2.gz ITSOUXZNCWAFBA-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCCNCC1 ZINC000647615181 384968290 /nfs/dbraw/zinc/96/82/90/384968290.db2.gz OUCJONHSFVBALV-VIFPVBQESA-N 1 3 247.289 0.053 20 0 BCADHO CCCC[NH+]1CCC(NC(=O)CNC)CC1 ZINC000037005041 384988729 /nfs/dbraw/zinc/98/87/29/384988729.db2.gz WWUMHISOKWBNTM-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO COCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177383131 384993220 /nfs/dbraw/zinc/99/32/20/384993220.db2.gz OTXDQHPDCHHRHZ-UHFFFAOYSA-N 1 3 243.395 0.591 20 0 BCADHO COCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177383131 384993228 /nfs/dbraw/zinc/99/32/28/384993228.db2.gz OTXDQHPDCHHRHZ-UHFFFAOYSA-N 1 3 243.395 0.591 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000310354571 385002246 /nfs/dbraw/zinc/00/22/46/385002246.db2.gz QIZHPEDQUPDZNR-YVECIDJPSA-N 1 3 244.379 0.702 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000310354571 385002251 /nfs/dbraw/zinc/00/22/51/385002251.db2.gz QIZHPEDQUPDZNR-YVECIDJPSA-N 1 3 244.379 0.702 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000226399620 385008375 /nfs/dbraw/zinc/00/83/75/385008375.db2.gz XOAAQPXVQOIIHW-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000226398445 385009234 /nfs/dbraw/zinc/00/92/34/385009234.db2.gz GMFQYOXQIFXQJW-ONGXEEELSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@H](N)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000226398445 385009239 /nfs/dbraw/zinc/00/92/39/385009239.db2.gz GMFQYOXQIFXQJW-ONGXEEELSA-N 1 3 227.352 0.569 20 0 BCADHO C[N@H+](CCCCC1CCOCC1)C[C@H](O)CN ZINC000310364763 385010528 /nfs/dbraw/zinc/01/05/28/385010528.db2.gz VRDODSGQJRAACX-CYBMUJFWSA-N 1 3 244.379 0.835 20 0 BCADHO C[N@@H+](CCCCC1CCOCC1)C[C@H](O)CN ZINC000310364763 385010533 /nfs/dbraw/zinc/01/05/33/385010533.db2.gz VRDODSGQJRAACX-CYBMUJFWSA-N 1 3 244.379 0.835 20 0 BCADHO CN(CCCCC1CCOCC1)C[C@H](O)C[NH3+] ZINC000310364763 385010540 /nfs/dbraw/zinc/01/05/40/385010540.db2.gz VRDODSGQJRAACX-CYBMUJFWSA-N 1 3 244.379 0.835 20 0 BCADHO COC(=O)CCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000377391482 385054125 /nfs/dbraw/zinc/05/41/25/385054125.db2.gz KENAXTNWDODPGV-ZDUSSCGKSA-N 1 3 240.347 0.967 20 0 BCADHO COC(=O)CCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000377391482 385054135 /nfs/dbraw/zinc/05/41/35/385054135.db2.gz KENAXTNWDODPGV-ZDUSSCGKSA-N 1 3 240.347 0.967 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CNCCC1(F)F ZINC000647640674 385069033 /nfs/dbraw/zinc/06/90/33/385069033.db2.gz YBYITBLRIMAYRR-RKDXNWHRSA-N 1 3 247.289 0.099 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000564931627 385082579 /nfs/dbraw/zinc/08/25/79/385082579.db2.gz JVKNFRXJFDQDJP-IJLUTSLNSA-N 1 3 237.347 0.149 20 0 BCADHO C[C@@H](CC(=O)NCCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000156981283 385029920 /nfs/dbraw/zinc/02/99/20/385029920.db2.gz NKBUXQDENUBBRI-NWDGAFQWSA-N 1 3 241.379 0.690 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)NCCN1CCCCC1 ZINC000165380949 385115281 /nfs/dbraw/zinc/11/52/81/385115281.db2.gz NAWJRUGVSFKBAI-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646987423 385115425 /nfs/dbraw/zinc/11/54/25/385115425.db2.gz WUAXHUYSCKXTQC-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CN(C)CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610586 385125328 /nfs/dbraw/zinc/12/53/28/385125328.db2.gz FEJAWNSTYFJWGZ-GFCCVEGCSA-N 1 3 235.331 0.407 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000566246840 385142261 /nfs/dbraw/zinc/14/22/61/385142261.db2.gz GSCKEXYBAOFWQD-MMWGEVLESA-N 1 3 227.352 0.556 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646998188 385131137 /nfs/dbraw/zinc/13/11/37/385131137.db2.gz UIMYXVDWPUCYOF-OPRDCNLKSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646998226 385132372 /nfs/dbraw/zinc/13/23/72/385132372.db2.gz XDEOIXQATKPDOD-CSMHCCOUSA-N 1 3 235.278 0.355 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCOCC(F)F ZINC000404882353 385142389 /nfs/dbraw/zinc/14/23/89/385142389.db2.gz GQSAQRUUAHUNIP-HTQZYQBOSA-N 1 3 222.279 0.984 20 0 BCADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOCC(F)F ZINC000404882353 385142393 /nfs/dbraw/zinc/14/23/93/385142393.db2.gz GQSAQRUUAHUNIP-HTQZYQBOSA-N 1 3 222.279 0.984 20 0 BCADHO CC[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1[NH3+] ZINC000647009788 385135348 /nfs/dbraw/zinc/13/53/48/385135348.db2.gz IYRRTQRTTOUAAZ-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H](N)C(C)C)CC[C@@H]1[NH3+] ZINC000647015762 385139566 /nfs/dbraw/zinc/13/95/66/385139566.db2.gz ZGLUGEZKZAMJRS-GARJFASQSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449748237 385140361 /nfs/dbraw/zinc/14/03/61/385140361.db2.gz BAXWNFZNSUEGEU-JTQLQIEISA-N 1 3 227.352 0.583 20 0 BCADHO COC[C@H](CN[C@H]1C[C@@H]([NH3+])C1(C)C)OC ZINC000404842984 385103405 /nfs/dbraw/zinc/10/34/05/385103405.db2.gz CHRCPQRULVJOPB-AEJSXWLSSA-N 1 3 216.325 0.363 20 0 BCADHO COC[C@H](C[NH2+][C@H]1C[C@@H](N)C1(C)C)OC ZINC000404842984 385103412 /nfs/dbraw/zinc/10/34/12/385103412.db2.gz CHRCPQRULVJOPB-AEJSXWLSSA-N 1 3 216.325 0.363 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000566246843 385141316 /nfs/dbraw/zinc/14/13/16/385141316.db2.gz GSCKEXYBAOFWQD-ZDCRXTMVSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000646976690 385106076 /nfs/dbraw/zinc/10/60/76/385106076.db2.gz CZXRUOPAQRYZRJ-LLVKDONJSA-N 1 3 225.336 0.396 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062972017 385199696 /nfs/dbraw/zinc/19/96/96/385199696.db2.gz VJWQHOQVGHCDCY-QWRGUYRKSA-N 1 3 227.352 0.522 20 0 BCADHO CN(CCNC(=O)C[NH2+]CC1CC1)C1CC1 ZINC000062010171 385150227 /nfs/dbraw/zinc/15/02/27/385150227.db2.gz HSGDOQRKFGEKMA-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]([NH3+])CNC(=O)c1ccc2c(c1)CNC2 ZINC000647023254 385155905 /nfs/dbraw/zinc/15/59/05/385155905.db2.gz UZERCWFLRLEGIP-QMMMGPOBSA-N 1 3 219.288 0.367 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000647030176 385162093 /nfs/dbraw/zinc/16/20/93/385162093.db2.gz GWSUIFHFHBDFDP-PWSUYJOCSA-N 1 3 227.352 0.557 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)C(N)C(F)(F)F ZINC000647063846 385207219 /nfs/dbraw/zinc/20/72/19/385207219.db2.gz XLPJVWUOXOHKGL-NTSWFWBYSA-N 1 3 227.230 0.120 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000647062721 385211713 /nfs/dbraw/zinc/21/17/13/385211713.db2.gz VYGXNBMHMFADFS-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000647090309 385256390 /nfs/dbraw/zinc/25/63/90/385256390.db2.gz KQDNAVADPQLMDL-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO COCCOCCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164671058 385226684 /nfs/dbraw/zinc/22/66/84/385226684.db2.gz LUYVQBQPOCSJOK-RYUDHWBXSA-N 1 3 230.352 0.566 20 0 BCADHO C[C@@H](CNC(=O)[C@H](N)CC(F)F)[NH+](C)C ZINC000308872356 385228196 /nfs/dbraw/zinc/22/81/96/385228196.db2.gz ZMOVRQJEMOZNLF-NKWVEPMBSA-N 1 3 223.267 0.035 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000647073637 385232503 /nfs/dbraw/zinc/23/25/03/385232503.db2.gz ITAOFGDVZSOPQA-HBNTYKKESA-N 1 3 239.363 0.761 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649618 385235912 /nfs/dbraw/zinc/23/59/12/385235912.db2.gz KHADRUWTDZBPGA-CMPLNLGQSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037649618 385235918 /nfs/dbraw/zinc/23/59/18/385235918.db2.gz KHADRUWTDZBPGA-CMPLNLGQSA-N 1 3 239.363 0.570 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)CC1 ZINC000364195097 385246055 /nfs/dbraw/zinc/24/60/55/385246055.db2.gz BIUUHCMMDWLDLI-KOLCDFICSA-N 1 3 223.320 0.208 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@H](N)CC(F)F)C[C@@H]1C[NH3+] ZINC000647086754 385251790 /nfs/dbraw/zinc/25/17/90/385251790.db2.gz BRGICRXIXBOWJH-VGMNWLOBSA-N 1 3 249.305 0.412 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)CC(F)F)C[C@@H]1C[NH3+] ZINC000647086752 385251904 /nfs/dbraw/zinc/25/19/04/385251904.db2.gz BRGICRXIXBOWJH-HRDYMLBCSA-N 1 3 249.305 0.412 20 0 BCADHO CO[C@@H](C[NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000400117951 385290165 /nfs/dbraw/zinc/29/01/65/385290165.db2.gz JRZPMGFUWZEHGM-LBPRGKRZSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@@H](CC(N)=O)[NH2+]CC1=CCN(C)CC1 ZINC000308978477 385329558 /nfs/dbraw/zinc/32/95/58/385329558.db2.gz HGPODINVEMRORY-VIFPVBQESA-N 1 3 211.309 0.102 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000164992249 385334215 /nfs/dbraw/zinc/33/42/15/385334215.db2.gz YTJDKMQWBPUULC-VHSXEESVSA-N 1 3 227.352 0.522 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000179149066 385369257 /nfs/dbraw/zinc/36/92/57/385369257.db2.gz JSUDFTXQTLKFAK-SDDRHHMPSA-N 1 3 241.379 0.783 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644080409 385425285 /nfs/dbraw/zinc/42/52/85/385425285.db2.gz MEXZVDQULNMGTK-NXEZZACHSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@]1(C)CCCCN1 ZINC000180896571 385397864 /nfs/dbraw/zinc/39/78/64/385397864.db2.gz ZFVBTQZANSDKTI-ONGXEEELSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCCC1 ZINC000193545335 385400947 /nfs/dbraw/zinc/40/09/47/385400947.db2.gz IYDYZEUAQMOMFT-UWVGGRQHSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000193566451 385402698 /nfs/dbraw/zinc/40/26/98/385402698.db2.gz ALTKNOAHQHZACR-GARJFASQSA-N 1 3 225.336 0.385 20 0 BCADHO C[C@@H]1C[C@H]1C[NH2+]CC1(O)CCN(C)CC1 ZINC000309099408 385408994 /nfs/dbraw/zinc/40/89/94/385408994.db2.gz FBQWBZUYMKRCLD-MNOVXSKESA-N 1 3 212.337 0.689 20 0 BCADHO NC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731481 385415192 /nfs/dbraw/zinc/41/51/92/385415192.db2.gz RMVYQNCYFXKAEM-OLZOCXBDSA-N 1 3 247.342 0.597 20 0 BCADHO NC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000178731447 385415334 /nfs/dbraw/zinc/41/53/34/385415334.db2.gz RMVYQNCYFXKAEM-QWHCGFSZSA-N 1 3 247.342 0.597 20 0 BCADHO [NH3+]C[C@@H](NC(=O)[C@@H]1CNCCC1(F)F)C1CC1 ZINC000644068858 385417635 /nfs/dbraw/zinc/41/76/35/385417635.db2.gz UBGNIUAMOLZWGO-DTWKUNHWSA-N 1 3 247.289 0.085 20 0 BCADHO NC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000179104188 385442020 /nfs/dbraw/zinc/44/20/20/385442020.db2.gz AFDSNTHGKAXDGQ-STQMWFEESA-N 1 3 247.342 0.597 20 0 BCADHO COc1ccccc1[C@@H](N)CNC(=O)C1([NH3+])CC1 ZINC000644092404 385444150 /nfs/dbraw/zinc/44/41/50/385444150.db2.gz MXDWVFLGTZCOFB-JTQLQIEISA-N 1 3 249.314 0.303 20 0 BCADHO CC(C)(C[NH3+])NC(=O)[C@H]1CNCCC1(F)F ZINC000644084989 385430163 /nfs/dbraw/zinc/43/01/63/385430163.db2.gz AEDWRHZGZFSEMD-SSDOTTSWSA-N 1 3 235.278 0.085 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364646819 385484985 /nfs/dbraw/zinc/48/49/85/385484985.db2.gz NWMFDAGBHWYOOT-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H]1CNCCC1(F)F ZINC000644122275 385499426 /nfs/dbraw/zinc/49/94/26/385499426.db2.gz TXINQZFEHJGINN-BDAKNGLRSA-N 1 3 249.305 0.345 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000309258585 385501703 /nfs/dbraw/zinc/50/17/03/385501703.db2.gz HENBABPJPLEPTA-VIFPVBQESA-N 1 3 213.325 0.311 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000644126383 385503478 /nfs/dbraw/zinc/50/34/78/385503478.db2.gz QYARLXQICLEKNN-ZNSHCXBVSA-N 1 3 239.363 0.487 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)NC1CC1 ZINC000449072878 385513477 /nfs/dbraw/zinc/51/34/77/385513477.db2.gz HBCGMZBKSHIPPM-JBLDHEPKSA-N 1 3 239.363 0.855 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000309329111 385534713 /nfs/dbraw/zinc/53/47/13/385534713.db2.gz IRXNJOMKDNWGFG-GFCCVEGCSA-N 1 3 226.320 0.577 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000309329111 385534717 /nfs/dbraw/zinc/53/47/17/385534717.db2.gz IRXNJOMKDNWGFG-GFCCVEGCSA-N 1 3 226.320 0.577 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000644139898 385524845 /nfs/dbraw/zinc/52/48/45/385524845.db2.gz RMUGUSYPHORBBQ-VIFPVBQESA-N 1 3 249.314 0.702 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1)[C@H](C)[NH3+] ZINC000644142297 385525560 /nfs/dbraw/zinc/52/55/60/385525560.db2.gz MGMLNMPBVYQWDC-XWLWVQCSSA-N 1 3 245.342 0.422 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364990976 385557989 /nfs/dbraw/zinc/55/79/89/385557989.db2.gz XIVRUYOSRKRUJG-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364990976 385557993 /nfs/dbraw/zinc/55/79/93/385557993.db2.gz XIVRUYOSRKRUJG-SDDRHHMPSA-N 1 3 239.363 0.666 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000309381418 385559140 /nfs/dbraw/zinc/55/91/40/385559140.db2.gz RODXZURHJPLDEI-AXFHLTTASA-N 1 3 226.320 0.609 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)C1 ZINC000366558942 385595914 /nfs/dbraw/zinc/59/59/14/385595914.db2.gz XENVSZSOYFZVBM-MMWGEVLESA-N 1 3 243.326 0.320 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000309467456 385597204 /nfs/dbraw/zinc/59/72/04/385597204.db2.gz PTYSVJKCNFYGLK-WDEREUQCSA-N 1 3 230.352 0.456 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)C2(N)CCCC2)C1 ZINC000309452830 385585499 /nfs/dbraw/zinc/58/54/99/385585499.db2.gz MXELHUSMXKWFBS-VIFPVBQESA-N 1 3 211.309 0.078 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(CCn2cccn2)C1 ZINC000082651675 385627755 /nfs/dbraw/zinc/62/77/55/385627755.db2.gz XRGJNIPRTRWWDF-NEPJUHHUSA-N 1 3 222.336 0.942 20 0 BCADHO C[C@@H](C[NH2+]C1CCN(C)CC1)CN(C)C ZINC000336685216 385683924 /nfs/dbraw/zinc/68/39/24/385683924.db2.gz KPGUCINXASEHKU-NSHDSACASA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCOC)[C@@H](C)C1 ZINC000221709909 385687768 /nfs/dbraw/zinc/68/77/68/385687768.db2.gz HMFIFEJCTXNYAI-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCOC)[C@@H](C)C1 ZINC000221709909 385687771 /nfs/dbraw/zinc/68/77/71/385687771.db2.gz HMFIFEJCTXNYAI-WDEREUQCSA-N 1 3 200.326 0.953 20 0 BCADHO CCCCNC(=O)CCN1CC[C@@](C)(C[NH3+])C1 ZINC000337744528 385774033 /nfs/dbraw/zinc/77/40/33/385774033.db2.gz FPNMZLCPDQWJAX-ZDUSSCGKSA-N 1 3 241.379 0.964 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000337744528 385774035 /nfs/dbraw/zinc/77/40/35/385774035.db2.gz FPNMZLCPDQWJAX-ZDUSSCGKSA-N 1 3 241.379 0.964 20 0 BCADHO CCCCNC(=O)CC[N@H+]1CC[C@@](C)(CN)C1 ZINC000337744528 385774038 /nfs/dbraw/zinc/77/40/38/385774038.db2.gz FPNMZLCPDQWJAX-ZDUSSCGKSA-N 1 3 241.379 0.964 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000340157386 385805263 /nfs/dbraw/zinc/80/52/63/385805263.db2.gz WEWTUXBSCYNQNY-AXFHLTTASA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CO[C@H](C)C1 ZINC000647804248 385840585 /nfs/dbraw/zinc/84/05/85/385840585.db2.gz MRMBPIUUUWZDPR-LDMBFOFVSA-N 1 3 228.336 0.506 20 0 BCADHO N[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000262436999 385845921 /nfs/dbraw/zinc/84/59/21/385845921.db2.gz MBJJNFKXQHNFJS-CHWSQXEVSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H](N)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262427158 385846367 /nfs/dbraw/zinc/84/63/67/385846367.db2.gz CYNFIJBYKUHRKG-LLVKDONJSA-N 1 3 235.331 0.711 20 0 BCADHO CC[C@H](COC)[NH2+]CC1(O)CCN(C)CC1 ZINC000309687898 385788557 /nfs/dbraw/zinc/78/85/57/385788557.db2.gz HYZSKRVJRYSRIO-LLVKDONJSA-N 1 3 230.352 0.458 20 0 BCADHO CC[C@@H](COC)[NH2+]CC1(O)CCN(C)CC1 ZINC000309687899 385788661 /nfs/dbraw/zinc/78/86/61/385788661.db2.gz HYZSKRVJRYSRIO-NSHDSACASA-N 1 3 230.352 0.458 20 0 BCADHO CCN(C)C(=O)CCN(C)CCC[NH3+] ZINC000647847401 385896403 /nfs/dbraw/zinc/89/64/03/385896403.db2.gz PETXATZTFHALJR-UHFFFAOYSA-N 1 3 201.314 0.135 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)C2(C)C[NH2+]C2)CCN1C ZINC000335032297 385921092 /nfs/dbraw/zinc/92/10/92/385921092.db2.gz NQDWFLFNIQKKCO-GHMZBOCLSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H]1CNCCC1(F)F ZINC000647811049 385863036 /nfs/dbraw/zinc/86/30/36/385863036.db2.gz QEHOGYRGWAAWNE-YUMQZZPRSA-N 1 3 235.278 0.037 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000647824964 385866644 /nfs/dbraw/zinc/86/66/44/385866644.db2.gz JRAYWNGCOATBGT-BDAKNGLRSA-N 1 3 249.305 0.331 20 0 BCADHO CC[NH+](CC)CCCN1CC[C@](C)(C(N)=O)C1 ZINC000338363937 385987390 /nfs/dbraw/zinc/98/73/90/385987390.db2.gz SDKMXQFEHFVAQI-ZDUSSCGKSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CCC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000338363937 385987396 /nfs/dbraw/zinc/98/73/96/385987396.db2.gz SDKMXQFEHFVAQI-ZDUSSCGKSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CCC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000338363937 385987399 /nfs/dbraw/zinc/98/73/99/385987399.db2.gz SDKMXQFEHFVAQI-ZDUSSCGKSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@](C[NH3+])(NCCOC[C@@H]1CCCO1)C1CC1 ZINC000647867942 385987910 /nfs/dbraw/zinc/98/79/10/385987910.db2.gz WNLVBEULPARIIM-QWHCGFSZSA-N 1 3 242.363 0.899 20 0 BCADHO COCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647983535 385990975 /nfs/dbraw/zinc/99/09/75/385990975.db2.gz FSRLRZCMQRYLBB-NEPJUHHUSA-N 1 3 228.336 0.461 20 0 BCADHO COc1ccc2c(c1)[C@H]([NH3+])CCN2C(=O)[C@@H](C)N ZINC000365220606 385961160 /nfs/dbraw/zinc/96/11/60/385961160.db2.gz HYUXTKXRFCLTLV-LDYMZIIASA-N 1 3 249.314 0.779 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CNC(C)C ZINC000638575044 386003057 /nfs/dbraw/zinc/00/30/57/386003057.db2.gz BJHDLUPFIWCDJQ-VHSXEESVSA-N 1 3 213.325 0.241 20 0 BCADHO CC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1C ZINC000338462598 386012107 /nfs/dbraw/zinc/01/21/07/386012107.db2.gz LXUXDWWEKXXGJO-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1C ZINC000338462598 386012113 /nfs/dbraw/zinc/01/21/13/386012113.db2.gz LXUXDWWEKXXGJO-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1CNCCN1C ZINC000414976086 386015550 /nfs/dbraw/zinc/01/55/50/386015550.db2.gz NJNYYCCDTHKHHK-UPJWGTAASA-N 1 3 240.395 0.010 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000295334315 386015788 /nfs/dbraw/zinc/01/57/88/386015788.db2.gz ZTSCDYQIQZWYBZ-QWHCGFSZSA-N 1 3 249.358 0.656 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000335061290 386025939 /nfs/dbraw/zinc/02/59/39/386025939.db2.gz MEOXOGVLPCEQBT-NEPJUHHUSA-N 1 3 245.326 0.513 20 0 BCADHO CCCC[C@@H](COC)NC[C@@H]1C[NH2+]CCN1C ZINC000414978270 386039432 /nfs/dbraw/zinc/03/94/32/386039432.db2.gz RKHOIBWLBDWJRR-STQMWFEESA-N 1 3 243.395 0.685 20 0 BCADHO CCN(C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000054133283 386109378 /nfs/dbraw/zinc/10/93/78/386109378.db2.gz VGLXGFZMEPUNLX-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133400 386110098 /nfs/dbraw/zinc/11/00/98/386110098.db2.gz UONFLPAJNFMHRA-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133400 386110099 /nfs/dbraw/zinc/11/00/99/386110099.db2.gz UONFLPAJNFMHRA-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H]1C[C@H](CN(C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674205 386145746 /nfs/dbraw/zinc/14/57/46/386145746.db2.gz DHYQIGNQUGHCKR-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH2+]CCNC(=O)NCCN(CC)C1CC1 ZINC000417488729 386155526 /nfs/dbraw/zinc/15/55/26/386155526.db2.gz OZRBCBSLNFAPGX-UHFFFAOYSA-N 1 3 242.367 0.379 20 0 BCADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681392 386163282 /nfs/dbraw/zinc/16/32/82/386163282.db2.gz VYNXLNRPGXQXIS-LBPRGKRZSA-N 1 3 241.379 0.772 20 0 BCADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681392 386163289 /nfs/dbraw/zinc/16/32/89/386163289.db2.gz VYNXLNRPGXQXIS-LBPRGKRZSA-N 1 3 241.379 0.772 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)N(C)C ZINC000346134267 386164266 /nfs/dbraw/zinc/16/42/66/386164266.db2.gz BZYRBRXOTBXKEW-UWVGGRQHSA-N 1 3 215.341 0.393 20 0 BCADHO C[C@@H]1C[C@H](CN[C@@H]2CNCCC2(F)F)CC[NH2+]1 ZINC000414993526 386166279 /nfs/dbraw/zinc/16/62/79/386166279.db2.gz CMRWTSRLUDEDPQ-GMTAPVOTSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1C[C@@H](CN[C@@H]2CNCCC2(F)F)CC[NH2+]1 ZINC000414993530 386167052 /nfs/dbraw/zinc/16/70/52/386167052.db2.gz CMRWTSRLUDEDPQ-OUAUKWLOSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1C[C@H](CN(C)CC(=O)N(C)C)CC[NH2+]1 ZINC000414681947 386167845 /nfs/dbraw/zinc/16/78/45/386167845.db2.gz QELOQRSUYHVZFS-GHMZBOCLSA-N 1 3 227.352 0.395 20 0 BCADHO CCN(CC)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346187621 386182777 /nfs/dbraw/zinc/18/27/77/386182777.db2.gz FHHYKDREZGACTB-SNVBAGLBSA-N 1 3 215.341 0.395 20 0 BCADHO [NH3+]CCOCCN1CCC[C@H](c2cc[nH]n2)C1 ZINC000647880911 386202073 /nfs/dbraw/zinc/20/20/73/386202073.db2.gz BAEXCIHEGHKDFK-NSHDSACASA-N 1 3 238.335 0.564 20 0 BCADHO C[C@@H]1C[C@H](CN2C[C@@H](CO)OC[C@H]2C)CC[NH2+]1 ZINC000414702526 386211415 /nfs/dbraw/zinc/21/14/15/386211415.db2.gz HWOIFBPMCMMHRT-LPWJVIDDSA-N 1 3 242.363 0.456 20 0 BCADHO CC(C)[C@H](C(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000131745695 386214060 /nfs/dbraw/zinc/21/40/60/386214060.db2.gz UBWRVBVHRPGGKH-HTAVTVPLSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccc(C(N)=O)cc1 ZINC000131744565 386214985 /nfs/dbraw/zinc/21/49/85/386214985.db2.gz YEHVNTFGBDBODS-ZYHUDNBSSA-N 1 3 247.342 0.955 20 0 BCADHO COC(=O)CC[N@H+](CCCN)CC(C)C ZINC000414709015 386222208 /nfs/dbraw/zinc/22/22/08/386222208.db2.gz QUDLJOVIQSDYSS-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO COC(=O)CC[N@@H+](CCCN)CC(C)C ZINC000414709015 386222212 /nfs/dbraw/zinc/22/22/12/386222212.db2.gz QUDLJOVIQSDYSS-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO COC(=O)CCN(CCC[NH3+])CC(C)C ZINC000414709015 386222216 /nfs/dbraw/zinc/22/22/16/386222216.db2.gz QUDLJOVIQSDYSS-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO [NH3+]CCCN1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000414708543 386225593 /nfs/dbraw/zinc/22/55/93/386225593.db2.gz QPOQNWAZYXGYHF-LBPRGKRZSA-N 1 3 239.363 0.573 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](N)CC(C)C ZINC000414712675 386231262 /nfs/dbraw/zinc/23/12/62/386231262.db2.gz TUSGINIARYDDGE-GHMZBOCLSA-N 1 3 229.368 0.674 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](N)CC(C)C ZINC000414712675 386231263 /nfs/dbraw/zinc/23/12/63/386231263.db2.gz TUSGINIARYDDGE-GHMZBOCLSA-N 1 3 229.368 0.674 20 0 BCADHO NC(=O)CC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647882722 386237820 /nfs/dbraw/zinc/23/78/20/386237820.db2.gz VNBPFCWZYDOAEH-VXGBXAGGSA-N 1 3 239.363 0.573 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000132923886 386260712 /nfs/dbraw/zinc/26/07/12/386260712.db2.gz MMOYFRJKGAWXFH-GMTAPVOTSA-N 1 3 227.352 0.569 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000132923886 386260715 /nfs/dbraw/zinc/26/07/15/386260715.db2.gz MMOYFRJKGAWXFH-GMTAPVOTSA-N 1 3 227.352 0.569 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000132913967 386257808 /nfs/dbraw/zinc/25/78/08/386257808.db2.gz LNFAMSRJEFTHPY-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CC1(C)CN(CCOCC[NH3+])C(C)(C)CO1 ZINC000647885909 386292249 /nfs/dbraw/zinc/29/22/49/386292249.db2.gz KGHMBHQYNVLJRK-UHFFFAOYSA-N 1 3 230.352 0.851 20 0 BCADHO CC[C@H](O)C[N@H+](C)CCCN(C)CCN(C)C ZINC000339203613 386296242 /nfs/dbraw/zinc/29/62/42/386296242.db2.gz JJYCGOXYHHUDIH-ZDUSSCGKSA-N 1 3 245.411 0.573 20 0 BCADHO CC[C@H](O)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000339203613 386296246 /nfs/dbraw/zinc/29/62/46/386296246.db2.gz JJYCGOXYHHUDIH-ZDUSSCGKSA-N 1 3 245.411 0.573 20 0 BCADHO C[C@@H](O)C[N@H+](C)CCCN(C)CCN(C)C ZINC000339205137 386300536 /nfs/dbraw/zinc/30/05/36/386300536.db2.gz NFEBMCAOKXRWEL-GFCCVEGCSA-N 1 3 231.384 0.183 20 0 BCADHO C[C@@H](O)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000339205137 386300540 /nfs/dbraw/zinc/30/05/40/386300540.db2.gz NFEBMCAOKXRWEL-GFCCVEGCSA-N 1 3 231.384 0.183 20 0 BCADHO NC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000088130604 386304982 /nfs/dbraw/zinc/30/49/82/386304982.db2.gz GBZPVLPPORYVOQ-NSHDSACASA-N 1 3 237.347 0.565 20 0 BCADHO CC1(C)CN(CCN2CC[NH2+]CC2)CCS1 ZINC000133317064 386309645 /nfs/dbraw/zinc/30/96/45/386309645.db2.gz LEGHGOYNWBDTML-UHFFFAOYSA-N 1 3 243.420 0.719 20 0 BCADHO C[C@@H](O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000336670411 386314756 /nfs/dbraw/zinc/31/47/56/386314756.db2.gz GQCHMTOWOYCCJO-GHMZBOCLSA-N 1 3 200.326 0.641 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000132961867 386272771 /nfs/dbraw/zinc/27/27/71/386272771.db2.gz HJLYAEKZRODKGJ-NEPJUHHUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](O)C[N@H+](CCO)CC[C@H]1CCCN1C ZINC000336656819 386274126 /nfs/dbraw/zinc/27/41/26/386274126.db2.gz LRFJWBBAKVPQSA-NWDGAFQWSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@H](O)C[N@@H+](CCO)CC[C@H]1CCCN1C ZINC000336656819 386274128 /nfs/dbraw/zinc/27/41/28/386274128.db2.gz LRFJWBBAKVPQSA-NWDGAFQWSA-N 1 3 230.352 0.146 20 0 BCADHO C[C@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C1CC1 ZINC000417549304 386341465 /nfs/dbraw/zinc/34/14/65/386341465.db2.gz JNQRKRQKLMDBAL-SECBINFHSA-N 1 3 242.367 0.506 20 0 BCADHO CNC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335277540 386342704 /nfs/dbraw/zinc/34/27/04/386342704.db2.gz JAUGWHOKVLWTTE-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000417547076 386348004 /nfs/dbraw/zinc/34/80/04/386348004.db2.gz GNWRBISWPXJGPU-NXEZZACHSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H](C[NH3+])NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417552219 386356008 /nfs/dbraw/zinc/35/60/08/386356008.db2.gz QCOKGDODENEEMZ-BDAKNGLRSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](CNC(=O)NCCCC[NH3+])N(C)C1CC1 ZINC000417552075 386356110 /nfs/dbraw/zinc/35/61/10/386356110.db2.gz PWQMOENIFUQVKW-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417552638 386358743 /nfs/dbraw/zinc/35/87/43/386358743.db2.gz RPPLYROXRBRKPY-UWVGGRQHSA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000417554555 386362405 /nfs/dbraw/zinc/36/24/05/386362405.db2.gz WITVKXQTRBXAGT-GUBZILKMSA-N 1 3 242.367 0.504 20 0 BCADHO OCCCOC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647889966 386362647 /nfs/dbraw/zinc/36/26/47/386362647.db2.gz CASCRKBJJSAOBE-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO C[N@H+](CCCOc1ccccc1)C[C@H](O)CN ZINC000336732034 386369569 /nfs/dbraw/zinc/36/95/69/386369569.db2.gz ZEJHSAMTJMEBAZ-GFCCVEGCSA-N 1 3 238.331 0.707 20 0 BCADHO C[N@@H+](CCCOc1ccccc1)C[C@H](O)CN ZINC000336732034 386369572 /nfs/dbraw/zinc/36/95/72/386369572.db2.gz ZEJHSAMTJMEBAZ-GFCCVEGCSA-N 1 3 238.331 0.707 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347375110 386371558 /nfs/dbraw/zinc/37/15/58/386371558.db2.gz SPEAVMQJCKTBCH-IJLUTSLNSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000347375115 386371793 /nfs/dbraw/zinc/37/17/93/386371793.db2.gz SPEAVMQJCKTBCH-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1CC2(CN1CC(=O)N(C)C)CC[NH2+]CC2 ZINC000335275607 386336575 /nfs/dbraw/zinc/33/65/75/386336575.db2.gz CMWVWTXAKASYJN-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCNC1=O ZINC000414767274 386439842 /nfs/dbraw/zinc/43/98/42/386439842.db2.gz SIAHNQMEDGSPOE-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CCCCN(C)CCNC(=O)NCC1C[NH2+]C1 ZINC000417616376 386443435 /nfs/dbraw/zinc/44/34/35/386443435.db2.gz YUNKAHQUGMMWAU-UHFFFAOYSA-N 1 3 242.367 0.237 20 0 BCADHO C[C@H]([NH3+])CN1CCC(N2CCO[C@H](C)C2)CC1 ZINC000442665600 386415395 /nfs/dbraw/zinc/41/53/95/386415395.db2.gz NEPYRVYGHWWYAT-NWDGAFQWSA-N 1 3 241.379 0.519 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)NCC[NH2+]C ZINC000417591626 386416232 /nfs/dbraw/zinc/41/62/32/386416232.db2.gz XHIDJLFYXXKCQX-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CN(C)C[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC000336709847 386422470 /nfs/dbraw/zinc/42/24/70/386422470.db2.gz QCJXTTBRHCRRNW-CYBMUJFWSA-N 1 3 236.363 0.846 20 0 BCADHO CN(C)C[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC000336709847 386422479 /nfs/dbraw/zinc/42/24/79/386422479.db2.gz QCJXTTBRHCRRNW-CYBMUJFWSA-N 1 3 236.363 0.846 20 0 BCADHO CN(CCNC(=O)CC[C@H]1CC[NH2+]C1)C1CC1 ZINC000134560333 386425030 /nfs/dbraw/zinc/42/50/30/386425030.db2.gz PKPKESIPNNGPKS-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]CCNC(=O)NCCN1CCC(C)CC1 ZINC000417007757 386435656 /nfs/dbraw/zinc/43/56/56/386435656.db2.gz HTEMTUAPKPHXCB-UHFFFAOYSA-N 1 3 242.367 0.237 20 0 BCADHO CC1(C(=O)NCCN2CCCCC2)C[NH2+]C1 ZINC000399179641 386436341 /nfs/dbraw/zinc/43/63/41/386436341.db2.gz RIDIWLAIFGVGQZ-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO CN1CCC[C@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000417287574 386476419 /nfs/dbraw/zinc/47/64/19/386476419.db2.gz PAQODDKOGYATHE-VIFPVBQESA-N 1 3 228.340 0.117 20 0 BCADHO CCC[NH2+]CCNC(=O)NC[C@@H]1CCCN1C ZINC000417287363 386476462 /nfs/dbraw/zinc/47/64/62/386476462.db2.gz OOYSYEDEZJLXTM-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000061645018 386476616 /nfs/dbraw/zinc/47/66/16/386476616.db2.gz CLKRLHOOUJPSSF-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000061644911 386476647 /nfs/dbraw/zinc/47/66/47/386476647.db2.gz INIYIAODUASGGM-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO NC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000335425499 386476862 /nfs/dbraw/zinc/47/68/62/386476862.db2.gz XSBXOKFOEAOEEJ-ZJUUUORDSA-N 1 3 223.320 0.078 20 0 BCADHO CC(C)([NH3+])CNCCCNCc1cccnc1 ZINC000519536349 386481158 /nfs/dbraw/zinc/48/11/58/386481158.db2.gz ICEGUWPPNBHSMJ-UHFFFAOYSA-N 1 3 236.363 0.888 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000415011135 386484552 /nfs/dbraw/zinc/48/45/52/386484552.db2.gz QEQDSHJWQZOZIE-IUCAKERBSA-N 1 3 233.319 0.794 20 0 BCADHO C[C@@H](N)[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000415011131 386485024 /nfs/dbraw/zinc/48/50/24/386485024.db2.gz QEQDSHJWQZOZIE-BDAKNGLRSA-N 1 3 233.319 0.794 20 0 BCADHO C[C@@H](CNC(=O)[C@H](C)N)C[NH+]1CCCC1 ZINC000059930755 386486879 /nfs/dbraw/zinc/48/68/79/386486879.db2.gz INXOYHCKSCBKOU-UWVGGRQHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H](CNC(=O)[C@H](C)N)C[NH+]1CCCC1 ZINC000059930759 386486947 /nfs/dbraw/zinc/48/69/47/386486947.db2.gz INXOYHCKSCBKOU-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](N)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000335431774 386487938 /nfs/dbraw/zinc/48/79/38/386487938.db2.gz YOOCZKZIYBIYAE-QWHCGFSZSA-N 1 3 247.342 0.808 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183377306 386493387 /nfs/dbraw/zinc/49/33/87/386493387.db2.gz BHOKXCBSAUAUJT-MNOVXSKESA-N 1 3 241.379 0.866 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000519598995 386498136 /nfs/dbraw/zinc/49/81/36/386498136.db2.gz KGIDQINRIRXLRZ-ZYHUDNBSSA-N 1 3 227.352 0.620 20 0 BCADHO CNCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335441585 386502630 /nfs/dbraw/zinc/50/26/30/386502630.db2.gz DSAAPXPZEWXLSL-MNOVXSKESA-N 1 3 225.336 0.054 20 0 BCADHO CC(C)(N)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000335446807 386511299 /nfs/dbraw/zinc/51/12/99/386511299.db2.gz SSCRAJNXHXRODN-MNOVXSKESA-N 1 3 239.363 0.572 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645166 386525121 /nfs/dbraw/zinc/52/51/21/386525121.db2.gz KWQDRHCPSQJVEI-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460112 386454193 /nfs/dbraw/zinc/45/41/93/386454193.db2.gz BKXQUSIPXXHKRM-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO CCC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000094460112 386454196 /nfs/dbraw/zinc/45/41/96/386454196.db2.gz BKXQUSIPXXHKRM-SRVKXCTJSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CCCC1 ZINC000094648197 386465646 /nfs/dbraw/zinc/46/56/46/386465646.db2.gz ZWOSTHOBJLBCMI-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CN(CC[NH2+][C@@H]2CCCNC2)CCO1 ZINC000415077358 386576678 /nfs/dbraw/zinc/57/66/78/386576678.db2.gz DVFDTCAGSWMESJ-GFCCVEGCSA-N 1 3 241.379 0.439 20 0 BCADHO NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977840 386578890 /nfs/dbraw/zinc/57/88/90/386578890.db2.gz IUQAGSBWMFXDOP-GHMZBOCLSA-N 1 3 225.336 0.183 20 0 BCADHO O=C(NC[C@@H]1CC[NH2+]C1)C12CCCN1CCC2 ZINC000335415654 386582605 /nfs/dbraw/zinc/58/26/05/386582605.db2.gz VFMBNKWXSKYPSB-LLVKDONJSA-N 1 3 237.347 0.341 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1ccn(C)c(=O)c1 ZINC000647905615 386596233 /nfs/dbraw/zinc/59/62/33/386596233.db2.gz KXRDWVQGMRVVKM-ZYHUDNBSSA-N 1 3 235.331 0.554 20 0 BCADHO CC(C)(C[NH3+])C(=O)NC1CCN(C2CC2)CC1 ZINC000123085434 386530731 /nfs/dbraw/zinc/53/07/31/386530731.db2.gz HLQILJCWOVSLNJ-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000062972771 386535365 /nfs/dbraw/zinc/53/53/65/386535365.db2.gz UVVBUFAJFQQSTB-MNOVXSKESA-N 1 3 227.352 0.666 20 0 BCADHO CCC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519703080 386535960 /nfs/dbraw/zinc/53/59/60/386535960.db2.gz DUWAQSCVJSRLLC-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO CCC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519703080 386535968 /nfs/dbraw/zinc/53/59/68/386535968.db2.gz DUWAQSCVJSRLLC-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H]1CNCc2ccccc21 ZINC000335463231 386547244 /nfs/dbraw/zinc/54/72/44/386547244.db2.gz SDSSOTIBTMUJGR-SKDRFNHKSA-N 1 3 233.315 0.337 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN2CCC1CC2 ZINC000335463006 386548083 /nfs/dbraw/zinc/54/80/83/386548083.db2.gz JKUKJGKZCWXGEJ-UWVGGRQHSA-N 1 3 225.336 0.276 20 0 BCADHO CC1(C)CCCN[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000335463365 386548596 /nfs/dbraw/zinc/54/85/96/386548596.db2.gz FCHBLJUONCBMGR-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196298 386552131 /nfs/dbraw/zinc/55/21/31/386552131.db2.gz CUWGHFYGJHTBAT-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196298 386552136 /nfs/dbraw/zinc/55/21/36/386552136.db2.gz CUWGHFYGJHTBAT-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO N[C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)C1CCC1 ZINC000335406316 386566789 /nfs/dbraw/zinc/56/67/89/386566789.db2.gz KLUMQSZEJGLQTC-LLVKDONJSA-N 1 3 237.347 0.468 20 0 BCADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000335409906 386571062 /nfs/dbraw/zinc/57/10/62/386571062.db2.gz QXTONCVAHVEWNB-NEPJUHHUSA-N 1 3 237.347 0.245 20 0 BCADHO C[N@H+]1CC[C@@H](C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000335409906 386571067 /nfs/dbraw/zinc/57/10/67/386571067.db2.gz QXTONCVAHVEWNB-NEPJUHHUSA-N 1 3 237.347 0.245 20 0 BCADHO COC(=O)[C@@]1(C)CCCN(CCC[NH3+])C1 ZINC000415139579 386634787 /nfs/dbraw/zinc/63/47/87/386634787.db2.gz LSCVVYKIYVWPQA-NSHDSACASA-N 1 3 214.309 0.610 20 0 BCADHO CN(C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062851751 386637699 /nfs/dbraw/zinc/63/76/99/386637699.db2.gz IXEVTNCRPHDYQM-NSHDSACASA-N 1 3 213.325 0.054 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CNCCC1(F)F ZINC000520228407 386607738 /nfs/dbraw/zinc/60/77/38/386607738.db2.gz JTOPDQWOQYBGMN-FXQIFTODSA-N 1 3 235.278 0.083 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000520227603 386607831 /nfs/dbraw/zinc/60/78/31/386607831.db2.gz RKZDEKLJQGLFRQ-NSHDSACASA-N 1 3 227.352 0.476 20 0 BCADHO CCNC(=O)C(C)(C)[NH2+]C[C@@H](N)CC(C)C ZINC000415091156 386611294 /nfs/dbraw/zinc/61/12/94/386611294.db2.gz BVGKBDLTUPHWIF-JTQLQIEISA-N 1 3 229.368 0.864 20 0 BCADHO CC(C)[C@H](C(=O)N1CCNC(C)(C)C1)N(C)C ZINC000335526204 386671588 /nfs/dbraw/zinc/67/15/88/386671588.db2.gz ZGLFEJPTTGYVAR-LLVKDONJSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@H](C(=O)N1CCNC(C)(C)C1)[NH+](C)C ZINC000335526204 386671591 /nfs/dbraw/zinc/67/15/91/386671591.db2.gz ZGLFEJPTTGYVAR-LLVKDONJSA-N 1 3 241.379 0.783 20 0 BCADHO CN(C(=O)C1(C)C[NH2+]C1)[C@@H]1CCN(C2CC2)C1 ZINC000335483607 386711358 /nfs/dbraw/zinc/71/13/58/386711358.db2.gz OVUKLYGUDCNBRT-LLVKDONJSA-N 1 3 237.347 0.291 20 0 BCADHO N[C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000414840402 386740014 /nfs/dbraw/zinc/74/00/14/386740014.db2.gz XABGVIGUEMSMKL-VXGBXAGGSA-N 1 3 205.305 0.638 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@@H]1NCCCC1(C)C ZINC000417792730 386728320 /nfs/dbraw/zinc/72/83/20/386728320.db2.gz YPHCOBPLMMCFIK-UWVGGRQHSA-N 1 3 227.352 0.618 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000357253949 386747365 /nfs/dbraw/zinc/74/73/65/386747365.db2.gz XOUNVTPTMWGLGA-MWLCHTKSSA-N 1 3 225.336 0.276 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC000336664326 386761594 /nfs/dbraw/zinc/76/15/94/386761594.db2.gz DVHZPVHCWZHVMS-SECBINFHSA-N 1 3 201.314 0.051 20 0 BCADHO CC1CC[NH+](CC(=O)N2CCNC[C@@H]2C)CC1 ZINC000335537730 386742072 /nfs/dbraw/zinc/74/20/72/386742072.db2.gz BPQGQUKBXUKLRY-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000357236381 386744403 /nfs/dbraw/zinc/74/44/03/386744403.db2.gz CVMZDWAVLXKZCK-KKZNHRDASA-N 1 3 225.336 0.180 20 0 BCADHO CCc1ccccc1[C@H](N)CNC(=O)[C@H](C)C[NH3+] ZINC000417831128 386789825 /nfs/dbraw/zinc/78/98/25/386789825.db2.gz KCIWLYXVDGVVEH-ZWNOBZJWSA-N 1 3 249.358 0.960 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019488071 386779191 /nfs/dbraw/zinc/77/91/91/386779191.db2.gz QCAKRCUKYMGVKX-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417813588 386781553 /nfs/dbraw/zinc/78/15/53/386781553.db2.gz MPBADBWGOFQNGQ-OPRDCNLKSA-N 1 3 213.325 0.086 20 0 BCADHO C[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000334760303 386818623 /nfs/dbraw/zinc/81/86/23/386818623.db2.gz QOXXRKKJOSEZJQ-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000334760303 386818627 /nfs/dbraw/zinc/81/86/27/386818627.db2.gz QOXXRKKJOSEZJQ-WDEREUQCSA-N 1 3 200.326 0.783 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000417847475 386805050 /nfs/dbraw/zinc/80/50/50/386805050.db2.gz USVXTRRCUVQZMD-JGVFFNPUSA-N 1 3 201.314 0.213 20 0 BCADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C1CCC1 ZINC000336670724 386814193 /nfs/dbraw/zinc/81/41/93/386814193.db2.gz FXVCKACRBKJWQF-LBPRGKRZSA-N 1 3 212.337 0.926 20 0 BCADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C1CCC1 ZINC000336670724 386814196 /nfs/dbraw/zinc/81/41/96/386814196.db2.gz FXVCKACRBKJWQF-LBPRGKRZSA-N 1 3 212.337 0.926 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366558359 386837291 /nfs/dbraw/zinc/83/72/91/386837291.db2.gz VWCUIPGGQYFDJK-UWVGGRQHSA-N 1 3 231.315 0.143 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000237406034 386841987 /nfs/dbraw/zinc/84/19/87/386841987.db2.gz RPGYPQZQDMYSTG-GHMZBOCLSA-N 1 3 239.363 0.844 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000341309531 386891551 /nfs/dbraw/zinc/89/15/51/386891551.db2.gz XVFJVMRJUUDKSE-NSHDSACASA-N 1 3 229.368 0.641 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418006202 386863523 /nfs/dbraw/zinc/86/35/23/386863523.db2.gz PXYYWBVIHAAXGS-MXWKQRLJSA-N 1 3 242.367 0.458 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418006957 386865754 /nfs/dbraw/zinc/86/57/54/386865754.db2.gz QQYHJHWXWYKTAM-OUAUKWLOSA-N 1 3 242.367 0.363 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418006956 386866010 /nfs/dbraw/zinc/86/60/10/386866010.db2.gz QQYHJHWXWYKTAM-MXWKQRLJSA-N 1 3 242.367 0.363 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)N(C)C ZINC000341255090 386867528 /nfs/dbraw/zinc/86/75/28/386867528.db2.gz GTPPDMSJMVXDFG-VXGBXAGGSA-N 1 3 243.395 0.887 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)N(C)C ZINC000341258020 386870472 /nfs/dbraw/zinc/87/04/72/386870472.db2.gz KTGAYGOQTYOTIG-MNOVXSKESA-N 1 3 229.368 0.641 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000418010098 386882638 /nfs/dbraw/zinc/88/26/38/386882638.db2.gz VKDUBHXCHAPSGW-VWYCJHECSA-N 1 3 242.367 0.376 20 0 BCADHO FC1(F)CNCC[C@@H]1CN[C@H]1CCC[NH2+]C1 ZINC000334849607 386897906 /nfs/dbraw/zinc/89/79/06/386897906.db2.gz XEBMAEPMNZEWKF-ZJUUUORDSA-N 1 3 233.306 0.573 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+][C@H]1CCCNC1 ZINC000334849607 386897910 /nfs/dbraw/zinc/89/79/10/386897910.db2.gz XEBMAEPMNZEWKF-ZJUUUORDSA-N 1 3 233.306 0.573 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418012777 386906765 /nfs/dbraw/zinc/90/67/65/386906765.db2.gz YKNSVOBQXYXWLB-KXUCPTDWSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H](C[NH3+])NC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000331821205 386911938 /nfs/dbraw/zinc/91/19/38/386911938.db2.gz ZGUDSWHAQZDEOW-KKZNHRDASA-N 1 3 240.351 0.116 20 0 BCADHO CC1(OCC(=O)Nc2ccc(C[NH3+])cc2)CNC1 ZINC000648111057 386946958 /nfs/dbraw/zinc/94/69/58/386946958.db2.gz RAIINVOYHYHMAH-UHFFFAOYSA-N 1 3 249.314 0.462 20 0 BCADHO CCN(CC)CCC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367984469 386925588 /nfs/dbraw/zinc/92/55/88/386925588.db2.gz XQTDFTBFVAPKOV-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CCC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367984469 386925594 /nfs/dbraw/zinc/92/55/94/386925594.db2.gz XQTDFTBFVAPKOV-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO [NH3+]C[C@H]1CCN(CCC(=O)Nc2cccnc2)C1 ZINC000358320942 386932549 /nfs/dbraw/zinc/93/25/49/386932549.db2.gz MZKVLRRBTPMMTK-LLVKDONJSA-N 1 3 248.330 0.691 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368101122 386940753 /nfs/dbraw/zinc/94/07/53/386940753.db2.gz SMRUQXJRQYHNGH-WOPDTQHZSA-N 1 3 239.363 0.428 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000368104195 386942449 /nfs/dbraw/zinc/94/24/49/386942449.db2.gz CKZWEUFBNMBPNI-NWDGAFQWSA-N 1 3 239.363 0.396 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000368261040 386955199 /nfs/dbraw/zinc/95/51/99/386955199.db2.gz AGTILRWZKHFUMX-XWLWVQCSSA-N 1 3 225.336 0.310 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000518976297 386965597 /nfs/dbraw/zinc/96/55/97/386965597.db2.gz MEECTJZXAUUFHY-NHCYSSNCSA-N 1 3 227.352 0.761 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368368343 386966511 /nfs/dbraw/zinc/96/65/11/386966511.db2.gz BRKMBACWOUBSHA-GARJFASQSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1CCNC(C)(C)C1 ZINC000334931293 387007698 /nfs/dbraw/zinc/00/76/98/387007698.db2.gz RLTNHFSZAUJPJP-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000368451899 386974266 /nfs/dbraw/zinc/97/42/66/386974266.db2.gz VVCWVGDGKQDSRZ-UMNHJUIQSA-N 1 3 243.326 0.416 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CCC[C@H](COC)C1 ZINC000518990833 386975705 /nfs/dbraw/zinc/97/57/05/386975705.db2.gz SONIKZUUODTDRB-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000518990833 386975709 /nfs/dbraw/zinc/97/57/09/386975709.db2.gz SONIKZUUODTDRB-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](COC)C1 ZINC000518990833 386975711 /nfs/dbraw/zinc/97/57/11/386975711.db2.gz SONIKZUUODTDRB-RYUDHWBXSA-N 1 3 230.352 0.315 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000332485096 386983163 /nfs/dbraw/zinc/98/31/63/386983163.db2.gz QLDXJAKPGBJFEF-GDPRMGEGSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H](N)C1CCC1 ZINC000332485103 386983283 /nfs/dbraw/zinc/98/32/83/386983283.db2.gz QLDXJAKPGBJFEF-JMJZKYOTSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000332485104 386984253 /nfs/dbraw/zinc/98/42/53/386984253.db2.gz QLDXJAKPGBJFEF-LSJOCFKGSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906925 386987057 /nfs/dbraw/zinc/98/70/57/386987057.db2.gz YNZAJBZKKVJUKA-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](CC(N)=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000341906925 386987058 /nfs/dbraw/zinc/98/70/58/386987058.db2.gz YNZAJBZKKVJUKA-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@H](C(=O)NC[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000643426053 386996987 /nfs/dbraw/zinc/99/69/87/386996987.db2.gz XJJHSXQKIOSLCX-MNOVXSKESA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000334820281 386949328 /nfs/dbraw/zinc/94/93/28/386949328.db2.gz WEJSEGNZWQTRKG-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)N1CCNC(C)(C)C1 ZINC000334953671 387031044 /nfs/dbraw/zinc/03/10/44/387031044.db2.gz SVPGWFKTRLQYGJ-SECBINFHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398998475 387036569 /nfs/dbraw/zinc/03/65/69/387036569.db2.gz BKLDRYRWUGVMHR-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](N)C1CCC1 ZINC000398998475 387036573 /nfs/dbraw/zinc/03/65/73/387036573.db2.gz BKLDRYRWUGVMHR-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399005910 387036771 /nfs/dbraw/zinc/03/67/71/387036771.db2.gz YBHJFGPEEJUSSM-KOLCDFICSA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000399005910 387036774 /nfs/dbraw/zinc/03/67/74/387036774.db2.gz YBHJFGPEEJUSSM-KOLCDFICSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CCN(C(=O)C2(N)CCCC2)C[C@H]1C[NH3+] ZINC000334962197 387043253 /nfs/dbraw/zinc/04/32/53/387043253.db2.gz RIVYRQNRAKFRDU-GHMZBOCLSA-N 1 3 239.363 0.701 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000334964681 387045000 /nfs/dbraw/zinc/04/50/00/387045000.db2.gz AHSPFDNLNHNWJR-WDEREUQCSA-N 1 3 239.363 0.633 20 0 BCADHO [NH3+]C[C@H](NC(=O)[C@H]1CCCCN1)C1CCCC1 ZINC000333672335 387049497 /nfs/dbraw/zinc/04/94/97/387049497.db2.gz YNBOEOWEAQUYNT-NEPJUHHUSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333706996 387052259 /nfs/dbraw/zinc/05/22/59/387052259.db2.gz RQIHRPROKAAMJF-AXFHLTTASA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)CC[N@@H+]1C ZINC000648108006 387053378 /nfs/dbraw/zinc/05/33/78/387053378.db2.gz LGPUMLHALRWNFM-DDHJBXDOSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2C[C@@H](C)NC[C@H]2C)CC[N@H+]1C ZINC000648108006 387053381 /nfs/dbraw/zinc/05/33/81/387053381.db2.gz LGPUMLHALRWNFM-DDHJBXDOSA-N 1 3 239.363 0.535 20 0 BCADHO [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3CCCCN3)C[C@@H]12 ZINC000648109162 387063926 /nfs/dbraw/zinc/06/39/26/387063926.db2.gz CEGAKGSHZHSQCN-QCNOEVLYSA-N 1 3 237.347 0.324 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCCNCC1 ZINC000334939740 387016105 /nfs/dbraw/zinc/01/61/05/387016105.db2.gz FFYFLNDCGPKFJP-WDEREUQCSA-N 1 3 240.351 0.119 20 0 BCADHO C[C@H]([NH2+]CCC(N)=O)C1=CCN(C)CC1 ZINC000519144223 387020965 /nfs/dbraw/zinc/02/09/65/387020965.db2.gz SYSLBKCUCTXKCP-VIFPVBQESA-N 1 3 211.309 0.102 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCC(C)(C)[NH3+])C1 ZINC000334943917 387022598 /nfs/dbraw/zinc/02/25/98/387022598.db2.gz KTAHNFKHGHSBIW-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000398949788 387028734 /nfs/dbraw/zinc/02/87/34/387028734.db2.gz BHHWLVGBIVJJMF-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CO)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766764 387070120 /nfs/dbraw/zinc/07/01/20/387070120.db2.gz OROGFPDSAAVXBO-RYUDHWBXSA-N 1 3 230.352 0.003 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NCC1(N(C)C)CCC1 ZINC000418055943 387077606 /nfs/dbraw/zinc/07/76/06/387077606.db2.gz HCXGNXAUNLLZIT-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000127131896 387078368 /nfs/dbraw/zinc/07/83/68/387078368.db2.gz HKOHWBUYNKXXKS-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000127131896 387078371 /nfs/dbraw/zinc/07/83/71/387078371.db2.gz HKOHWBUYNKXXKS-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000370660999 387131124 /nfs/dbraw/zinc/13/11/24/387131124.db2.gz ZSIJTCFBGZLGRM-DTWKUNHWSA-N 1 3 248.330 0.649 20 0 BCADHO CN1CCC(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359426952 387099432 /nfs/dbraw/zinc/09/94/32/387099432.db2.gz FLFZJIXDWIBXMR-TXEJJXNPSA-N 1 3 237.347 0.006 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000370304258 387107891 /nfs/dbraw/zinc/10/78/91/387107891.db2.gz XKWDHAUCPGLCGX-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CN(C)CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370304258 387107894 /nfs/dbraw/zinc/10/78/94/387107894.db2.gz XKWDHAUCPGLCGX-RYUDHWBXSA-N 1 3 239.363 0.539 20 0 BCADHO CCCC[C@H](C[NH3+])N[C@H]1CCN(CCOC)C1 ZINC000423299716 387128894 /nfs/dbraw/zinc/12/88/94/387128894.db2.gz QMXXUDPJXFZRCC-OLZOCXBDSA-N 1 3 243.395 0.814 20 0 BCADHO CCCC[C@@H](C[NH3+])N[C@H]1CCN(CCOC)C1 ZINC000423299718 387129961 /nfs/dbraw/zinc/12/99/61/387129961.db2.gz QMXXUDPJXFZRCC-STQMWFEESA-N 1 3 243.395 0.814 20 0 BCADHO CCN1C[C@@H](C)[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423305769 387141925 /nfs/dbraw/zinc/14/19/25/387141925.db2.gz RIFYWLYSTIMCIR-WOPDTQHZSA-N 1 3 211.353 0.668 20 0 BCADHO CCN1C[C@@H](C)[C@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423305768 387142047 /nfs/dbraw/zinc/14/20/47/387142047.db2.gz RIFYWLYSTIMCIR-GRYCIOLGSA-N 1 3 211.353 0.668 20 0 BCADHO C1CC1[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CNCCO1 ZINC000423308446 387143607 /nfs/dbraw/zinc/14/36/07/387143607.db2.gz XZGRVBPTJHVQJQ-AVGNSLFASA-N 1 3 239.363 0.095 20 0 BCADHO [NH3+]CC1(CC(=O)NCCN2CCCC2)CC1 ZINC000423307887 387144507 /nfs/dbraw/zinc/14/45/07/387144507.db2.gz NVYBZNGBUSRNME-UHFFFAOYSA-N 1 3 225.336 0.327 20 0 BCADHO COCCNCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000423314147 387154092 /nfs/dbraw/zinc/15/40/92/387154092.db2.gz GRSAELUKEUIUJG-YNEHKIRRSA-N 1 3 243.395 0.541 20 0 BCADHO COCCNCC[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000423314146 387154307 /nfs/dbraw/zinc/15/43/07/387154307.db2.gz GRSAELUKEUIUJG-RWMBFGLXSA-N 1 3 243.395 0.541 20 0 BCADHO COCCNCCN[C@H]1CCCCC[C@H]1[NH3+] ZINC000423318424 387158889 /nfs/dbraw/zinc/15/88/89/387158889.db2.gz BRIKISMFKRNXDO-NEPJUHHUSA-N 1 3 229.368 0.472 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000336334807 387160210 /nfs/dbraw/zinc/16/02/10/387160210.db2.gz ZBQXCEKXZOHUMR-CMPLNLGQSA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000336334808 387160407 /nfs/dbraw/zinc/16/04/07/387160407.db2.gz ZBQXCEKXZOHUMR-JQWIXIFHSA-N 1 3 225.336 0.326 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000571761614 387163610 /nfs/dbraw/zinc/16/36/10/387163610.db2.gz SDSRFCAXZUHWHY-ZJUUUORDSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1C[C@H](C)[C@H]([NH2+]C[C@@H](N)C2CC2)C1 ZINC000423327479 387170275 /nfs/dbraw/zinc/17/02/75/387170275.db2.gz RQMYRDWBKZLCRY-MVWJERBFSA-N 1 3 211.353 0.654 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371232262 387178236 /nfs/dbraw/zinc/17/82/36/387178236.db2.gz RLXZMFGTWBLDPX-GRYCIOLGSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371232265 387179443 /nfs/dbraw/zinc/17/94/43/387179443.db2.gz RLXZMFGTWBLDPX-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062972911 387189008 /nfs/dbraw/zinc/18/90/08/387189008.db2.gz NUVZVGABGFADQH-RYUDHWBXSA-N 1 3 239.363 0.666 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H](N(C)C)C1 ZINC000062967602 387189770 /nfs/dbraw/zinc/18/97/70/387189770.db2.gz ZGAVTPNDNWNHBA-GHMZBOCLSA-N 1 3 227.352 0.380 20 0 BCADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC[NH3+] ZINC000418101075 387132759 /nfs/dbraw/zinc/13/27/59/387132759.db2.gz QXSFHFMQQXEJGA-JTQLQIEISA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)NCCN(C)C1CC1 ZINC000353109431 387140149 /nfs/dbraw/zinc/14/01/49/387140149.db2.gz GWVNPQYRCOYVQW-SNVBAGLBSA-N 1 3 242.367 0.330 20 0 BCADHO COC[C@@H]([NH2+]CC1(O)CCN(C)CC1)C(C)C ZINC000361884370 387203301 /nfs/dbraw/zinc/20/33/01/387203301.db2.gz CQYVZUAIZHBCFF-GFCCVEGCSA-N 1 3 244.379 0.704 20 0 BCADHO C[C@H](C[C@H]1COCCN1)NCC[C@H]1CCC[NH2+]1 ZINC000423356499 387208616 /nfs/dbraw/zinc/20/86/16/387208616.db2.gz JZYUGLTXBUFMIG-UPJWGTAASA-N 1 3 241.379 0.485 20 0 BCADHO COc1ccc(C[C@@H](C)N[C@@H](C)C[NH3+])cn1 ZINC000423361273 387211949 /nfs/dbraw/zinc/21/19/49/387211949.db2.gz AAZHUWKHSZOZFA-ZJUUUORDSA-N 1 3 223.320 0.958 20 0 BCADHO CC1(CNC(=O)[C@H](N)CC(F)F)CC[NH2+]CC1 ZINC000572000138 387216975 /nfs/dbraw/zinc/21/69/75/387216975.db2.gz NLYUKBFKBYEETH-MRVPVSSYSA-N 1 3 249.305 0.475 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@](C)(C[NH3+])C1 ZINC000572001771 387218676 /nfs/dbraw/zinc/21/86/76/387218676.db2.gz UFFCIQDBRLLUOX-GFCCVEGCSA-N 1 3 227.352 0.526 20 0 BCADHO CCN(C)C(=O)CC[N@@H+]1CC[C@](C)(CN)C1 ZINC000572001771 387218681 /nfs/dbraw/zinc/21/86/81/387218681.db2.gz UFFCIQDBRLLUOX-GFCCVEGCSA-N 1 3 227.352 0.526 20 0 BCADHO CCN(C)C(=O)CC[N@H+]1CC[C@](C)(CN)C1 ZINC000572001771 387218686 /nfs/dbraw/zinc/21/86/86/387218686.db2.gz UFFCIQDBRLLUOX-GFCCVEGCSA-N 1 3 227.352 0.526 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418206149 387219613 /nfs/dbraw/zinc/21/96/13/387219613.db2.gz OCXUSVOSVMDUIR-HBNTYKKESA-N 1 3 242.367 0.315 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418206148 387220371 /nfs/dbraw/zinc/22/03/71/387220371.db2.gz OCXUSVOSVMDUIR-GARJFASQSA-N 1 3 242.367 0.315 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000418210675 387221434 /nfs/dbraw/zinc/22/14/34/387221434.db2.gz SSAYOTJFDODDCP-GARJFASQSA-N 1 3 242.367 0.328 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)NCCC[NH2+]C1CC1 ZINC000418214671 387223792 /nfs/dbraw/zinc/22/37/92/387223792.db2.gz XMKLOVKUDJLFJX-JTQLQIEISA-N 1 3 242.367 0.378 20 0 BCADHO COC[C@]1(C[NH2+][C@H](C)[C@@H]2CCCO2)CCCN1 ZINC000423422868 387250231 /nfs/dbraw/zinc/25/02/31/387250231.db2.gz ZIZCFOBBZGDCQN-FRRDWIJNSA-N 1 3 242.363 0.912 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000193131035 387196326 /nfs/dbraw/zinc/19/63/26/387196326.db2.gz DCWOANOVQADHIX-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000193131035 387196332 /nfs/dbraw/zinc/19/63/32/387196332.db2.gz DCWOANOVQADHIX-UWVGGRQHSA-N 1 3 213.325 0.004 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C(C)(C)C[NH3+])C1 ZINC000571925936 387199712 /nfs/dbraw/zinc/19/97/12/387199712.db2.gz GECLJVVRVHDRKD-SNVBAGLBSA-N 1 3 227.352 0.429 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378701 387260666 /nfs/dbraw/zinc/26/06/66/387260666.db2.gz MQOIIVXBHODTLL-KKOKHZNYSA-N 1 3 211.353 0.667 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000372099014 387274302 /nfs/dbraw/zinc/27/43/02/387274302.db2.gz PZTXZLKKSMIIAH-JQWIXIFHSA-N 1 3 243.326 0.241 20 0 BCADHO CC1([NH3+])CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000648120601 387281409 /nfs/dbraw/zinc/28/14/09/387281409.db2.gz IEYIHWDDQHSMAB-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423432601 387284742 /nfs/dbraw/zinc/28/47/42/387284742.db2.gz OPQVHAYGUCXCCW-SVBLFDIKSA-N 1 3 249.358 0.337 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000572240368 387285729 /nfs/dbraw/zinc/28/57/29/387285729.db2.gz DOWBVVPLUNFELD-JQWIXIFHSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2CCC1CC2 ZINC000572240369 387286153 /nfs/dbraw/zinc/28/61/53/387286153.db2.gz DOWBVVPLUNFELD-PWSUYJOCSA-N 1 3 237.347 0.291 20 0 BCADHO CO[C@@H]1[C@H](C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1(C)C ZINC000423439044 387288119 /nfs/dbraw/zinc/28/81/19/387288119.db2.gz SDFDERYQMNYRDQ-PQTSNVLCSA-N 1 3 224.348 0.853 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000514789788 387288618 /nfs/dbraw/zinc/28/86/18/387288618.db2.gz SLAVQAYVLWAXJM-DCAQKATOSA-N 1 3 227.352 0.556 20 0 BCADHO CC1(C)[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]2CCCO[C@H]21 ZINC000423442718 387293250 /nfs/dbraw/zinc/29/32/50/387293250.db2.gz VHBBRRSNZFPSGO-PQCBQTOFSA-N 1 3 236.359 0.997 20 0 BCADHO COCC[C@H]1CCC[C@H]1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423453104 387301299 /nfs/dbraw/zinc/30/12/99/387301299.db2.gz IVHIEWAJPITYDJ-LBELIVKGSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@@H]1C[C@H]1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352544923 387307884 /nfs/dbraw/zinc/30/78/84/387307884.db2.gz DTXXQYWTYBHUDE-FRRDWIJNSA-N 1 3 223.364 0.622 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000643502089 387357271 /nfs/dbraw/zinc/35/72/71/387357271.db2.gz XFFOKQRVZSBIKP-UTUOFQBUSA-N 1 3 211.353 0.668 20 0 BCADHO CSCC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000515299875 387361149 /nfs/dbraw/zinc/36/11/49/387361149.db2.gz NFHNWDSIMDPKHD-ZJUUUORDSA-N 1 3 245.392 0.325 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NCCC[NH2+]C1CC1 ZINC000423533053 387362272 /nfs/dbraw/zinc/36/22/72/387362272.db2.gz WMQFHUKSALWMGR-ZYHUDNBSSA-N 1 3 211.353 0.668 20 0 BCADHO CCC[C@@H](C(=O)N[C@H](C)C[NH3+])N(C)C ZINC000423539642 387366101 /nfs/dbraw/zinc/36/61/01/387366101.db2.gz PACNRPGATIYWPF-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](NC[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423543980 387367514 /nfs/dbraw/zinc/36/75/14/387367514.db2.gz CASCHKNQZHBCDB-TUAOUCFPSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423547943 387370183 /nfs/dbraw/zinc/37/01/83/387370183.db2.gz GHUJEMJDMKZUFD-UTUOFQBUSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@H]1CCCC[NH2+]C1 ZINC000423553605 387373749 /nfs/dbraw/zinc/37/37/49/387373749.db2.gz KNVFCNGXGWRXET-AGIUHOORSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@H]1CCCCNC1 ZINC000423553605 387373754 /nfs/dbraw/zinc/37/37/54/387373754.db2.gz KNVFCNGXGWRXET-AGIUHOORSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)N[C@@H]1CCCC[NH2+]C1 ZINC000423553607 387373955 /nfs/dbraw/zinc/37/39/55/387373955.db2.gz KNVFCNGXGWRXET-JHJVBQTASA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1CCCCNC1 ZINC000423553607 387373958 /nfs/dbraw/zinc/37/39/58/387373958.db2.gz KNVFCNGXGWRXET-JHJVBQTASA-N 1 3 241.379 0.485 20 0 BCADHO CC1(C)NC(=O)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000423565727 387378214 /nfs/dbraw/zinc/37/82/14/387378214.db2.gz TVCMOEZKNMDWES-LLVKDONJSA-N 1 3 239.363 0.775 20 0 BCADHO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCNC1CC1 ZINC000423565727 387378216 /nfs/dbraw/zinc/37/82/16/387378216.db2.gz TVCMOEZKNMDWES-LLVKDONJSA-N 1 3 239.363 0.775 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000373562856 387380308 /nfs/dbraw/zinc/38/03/08/387380308.db2.gz SGDIQZOWZACERJ-SDDRHHMPSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CNCCC1(F)F ZINC000423483936 387328688 /nfs/dbraw/zinc/32/86/88/387328688.db2.gz QKBRMYKUCWYJJP-GUBZILKMSA-N 1 3 233.306 0.701 20 0 BCADHO CCC[C@@H](C(=O)N[C@H](C)CC[NH3+])N(C)C ZINC000423509475 387344679 /nfs/dbraw/zinc/34/46/79/387344679.db2.gz JTALLJGODCXGMZ-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000423893729 387445832 /nfs/dbraw/zinc/44/58/32/387445832.db2.gz ATDBXJKZAYBNOQ-SRVKXCTJSA-N 1 3 239.363 0.666 20 0 BCADHO C[NH+](C)CC1CCN([C@@H]2COC[C@@H]2O)CC1 ZINC000304207806 387447537 /nfs/dbraw/zinc/44/75/37/387447537.db2.gz DHCXZLSCHUZIMS-NEPJUHHUSA-N 1 3 228.336 0.020 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423956625 387457596 /nfs/dbraw/zinc/45/75/96/387457596.db2.gz OVSGBIDRJAUJMS-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423957779 387458140 /nfs/dbraw/zinc/45/81/40/387458140.db2.gz PUIYXGRFZOVWDT-JTQLQIEISA-N 1 3 229.368 0.818 20 0 BCADHO CCC[C@H](C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N(C)C ZINC000423592427 387385235 /nfs/dbraw/zinc/38/52/35/387385235.db2.gz KPXRSGSWQOWPPL-IJLUTSLNSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]CCNC(=O)c1ccc2c(c1)CNC2 ZINC000572401561 387387067 /nfs/dbraw/zinc/38/70/67/387387067.db2.gz PKIGDGKBWHAWDK-UHFFFAOYSA-N 1 3 219.288 0.239 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423657231 387392450 /nfs/dbraw/zinc/39/24/50/387392450.db2.gz YJOOPUCGRFTBGK-VHSXEESVSA-N 1 3 213.325 0.276 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423640257 387392668 /nfs/dbraw/zinc/39/26/68/387392668.db2.gz GLMRBGOWCOBXRW-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423973698 387460193 /nfs/dbraw/zinc/46/01/93/387460193.db2.gz CPBYJFKMJPWMAL-DGCLKSJQSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336577430 387399803 /nfs/dbraw/zinc/39/98/03/387399803.db2.gz ZJOKDJDZAHWKMY-SVRRBLITSA-N 1 3 239.241 0.073 20 0 BCADHO C[C@@]1(C[NH3+])CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336577431 387400063 /nfs/dbraw/zinc/40/00/63/387400063.db2.gz ZJOKDJDZAHWKMY-XPUUQOCRSA-N 1 3 239.241 0.073 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)CNC ZINC000423775930 387422106 /nfs/dbraw/zinc/42/21/06/387422106.db2.gz PTTKCUKFDOBMIJ-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)CNC ZINC000423775930 387422110 /nfs/dbraw/zinc/42/21/10/387422110.db2.gz PTTKCUKFDOBMIJ-JTQLQIEISA-N 1 3 215.341 0.442 20 0 BCADHO CN(C)C(=O)CCN1CC[C@H](C[NH+](C)C)C1 ZINC000355314067 387517350 /nfs/dbraw/zinc/51/73/50/387517350.db2.gz GXDRECCXFNTQMO-LLVKDONJSA-N 1 3 227.352 0.348 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000355327459 387521447 /nfs/dbraw/zinc/52/14/47/387521447.db2.gz WUJWOIREXRFEFK-NEPJUHHUSA-N 1 3 230.352 0.267 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000355327459 387521449 /nfs/dbraw/zinc/52/14/49/387521449.db2.gz WUJWOIREXRFEFK-NEPJUHHUSA-N 1 3 230.352 0.267 20 0 BCADHO CCN(CC)CC(=O)NC(C)(C)CC[NH3+] ZINC000424046300 387469950 /nfs/dbraw/zinc/46/99/50/387469950.db2.gz KTGLNUDCXGNIDR-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO C[NH2+]CCCC(=O)N1C[C@H](N)Cc2ccccc21 ZINC000424077908 387480474 /nfs/dbraw/zinc/48/04/74/387480474.db2.gz PSXPPBPATWNJDK-GFCCVEGCSA-N 1 3 247.342 0.903 20 0 BCADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000362182207 387581875 /nfs/dbraw/zinc/58/18/75/387581875.db2.gz BZJZNMKJNIJSRW-YNEHKIRRSA-N 1 3 244.379 0.798 20 0 BCADHO CCOC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362182207 387581878 /nfs/dbraw/zinc/58/18/78/387581878.db2.gz BZJZNMKJNIJSRW-YNEHKIRRSA-N 1 3 244.379 0.798 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)C1CCC1 ZINC000422541424 387596685 /nfs/dbraw/zinc/59/66/85/387596685.db2.gz OFUHMAJZSURALS-MNOVXSKESA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)C2CCC2)C[C@@]1(C)C[NH3+] ZINC000422542972 387597143 /nfs/dbraw/zinc/59/71/43/387597143.db2.gz RGDMFEOBBGLQEU-IRUJWGPZSA-N 1 3 239.363 0.557 20 0 BCADHO CNCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422541075 387597422 /nfs/dbraw/zinc/59/74/22/387597422.db2.gz NIOAFTHCXGPQKH-GUBZILKMSA-N 1 3 213.325 0.038 20 0 BCADHO C[C@@H](NC(=O)N(C)C[C@H]1CCCN1C)[C@H](C)[NH3+] ZINC000422614234 387607168 /nfs/dbraw/zinc/60/71/68/387607168.db2.gz YEZOJDCKNGPBPG-HBNTYKKESA-N 1 3 242.367 0.458 20 0 BCADHO C[C@@H](NC(=O)N(C)C[C@@H]1CCCN1C)[C@H](C)[NH3+] ZINC000422614231 387607246 /nfs/dbraw/zinc/60/72/46/387607246.db2.gz YEZOJDCKNGPBPG-AXFHLTTASA-N 1 3 242.367 0.458 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N(C)C[C@H]1CCCN1C ZINC000422610836 387607685 /nfs/dbraw/zinc/60/76/85/387607685.db2.gz QWPONOHWQKLKKO-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](CNC(=O)CC1CCN(C)CC1)[NH+](C)C ZINC000362492862 387617901 /nfs/dbraw/zinc/61/79/01/387617901.db2.gz PWDWYHKYHHFDCT-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC000362492862 387617907 /nfs/dbraw/zinc/61/79/07/387617907.db2.gz PWDWYHKYHHFDCT-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CN(CCN[C@H]1CCC[C@@H]1[NH3+])CC(F)(F)F ZINC000422702244 387618600 /nfs/dbraw/zinc/61/86/00/387618600.db2.gz DPVPSBKRJROYRX-IUCAKERBSA-N 1 3 239.285 0.950 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NCCN1CCOC[C@H]1C ZINC000422707525 387620050 /nfs/dbraw/zinc/62/00/50/387620050.db2.gz AHJPGZFMZGQCCL-SDDRHHMPSA-N 1 3 229.368 0.423 20 0 BCADHO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1N ZINC000422712258 387626337 /nfs/dbraw/zinc/62/63/37/387626337.db2.gz NUDKDOZLQUYEDE-FRRDWIJNSA-N 1 3 241.379 0.567 20 0 BCADHO COCCN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422712258 387626341 /nfs/dbraw/zinc/62/63/41/387626341.db2.gz NUDKDOZLQUYEDE-FRRDWIJNSA-N 1 3 241.379 0.567 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000037001338 387557179 /nfs/dbraw/zinc/55/71/79/387557179.db2.gz CRVPWBQRIRUHHP-GHMZBOCLSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1C)[C@@H](C)[NH3+] ZINC000399640659 387563435 /nfs/dbraw/zinc/56/34/35/387563435.db2.gz KCBGKNDBRBCNHM-WOPDTQHZSA-N 1 3 241.379 0.816 20 0 BCADHO CCC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)N(C)C ZINC000422714033 387627754 /nfs/dbraw/zinc/62/77/54/387627754.db2.gz QLXIZUPYBYSFSP-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)N(C)C ZINC000422714032 387627964 /nfs/dbraw/zinc/62/79/64/387627964.db2.gz QLXIZUPYBYSFSP-MNOVXSKESA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)N(C)C(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000430644631 387634972 /nfs/dbraw/zinc/63/49/72/387634972.db2.gz ABIOHQZZUBQGHS-NSHDSACASA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1N)N(C)C1CC1 ZINC000422738356 387646392 /nfs/dbraw/zinc/64/63/92/387646392.db2.gz JOIBROQQBKTSFF-USWWRNFRSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(C2CC2)C1 ZINC000422746168 387650892 /nfs/dbraw/zinc/65/08/92/387650892.db2.gz WBVXXFJVAAEFJY-HBNTYKKESA-N 1 3 211.353 0.939 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)C[C@@H]1C ZINC000430795858 387652016 /nfs/dbraw/zinc/65/20/16/387652016.db2.gz IMXCEHWTVWYABR-DCAQKATOSA-N 1 3 227.352 0.665 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)N)C[C@@H]1C ZINC000430795858 387652022 /nfs/dbraw/zinc/65/20/22/387652022.db2.gz IMXCEHWTVWYABR-DCAQKATOSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@H]([C@H](C)N[C@@H](C)C[C@H](C)[NH3+])N1CCOCC1 ZINC000422747969 387654224 /nfs/dbraw/zinc/65/42/24/387654224.db2.gz ZZPDKEWRXBVXFB-ZDEQEGDKSA-N 1 3 243.395 0.811 20 0 BCADHO C[C@H]([C@H](C)[NH2+][C@@H](C)C[C@H](C)N)N1CCOCC1 ZINC000422747969 387654228 /nfs/dbraw/zinc/65/42/28/387654228.db2.gz ZZPDKEWRXBVXFB-ZDEQEGDKSA-N 1 3 243.395 0.811 20 0 BCADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)[C@H](C)C1 ZINC000430802952 387655044 /nfs/dbraw/zinc/65/50/44/387655044.db2.gz PFISQAIHJLOXSU-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)N)[C@H](C)C1 ZINC000430802952 387655046 /nfs/dbraw/zinc/65/50/46/387655046.db2.gz PFISQAIHJLOXSU-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362770827 387658184 /nfs/dbraw/zinc/65/81/84/387658184.db2.gz VHGPEADBUHYNEG-MNOVXSKESA-N 1 3 227.352 0.252 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362770827 387658188 /nfs/dbraw/zinc/65/81/88/387658188.db2.gz VHGPEADBUHYNEG-MNOVXSKESA-N 1 3 227.352 0.252 20 0 BCADHO C[C@@H]1CN(CCCN2CCOCC2)CC[C@@H]1[NH3+] ZINC000430919576 387661336 /nfs/dbraw/zinc/66/13/36/387661336.db2.gz LRJNCNGQJAOXFF-OLZOCXBDSA-N 1 3 241.379 0.378 20 0 BCADHO CCCCNC(=O)CCN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430968667 387666665 /nfs/dbraw/zinc/66/66/65/387666665.db2.gz ATTUKYNWUPOYQR-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(C)(C)C[NH3+] ZINC000431019070 387669834 /nfs/dbraw/zinc/66/98/34/387669834.db2.gz KPMGYJUXPFQRJC-MWLCHTKSSA-N 1 3 239.363 0.570 20 0 BCADHO CCC[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000422770423 387670936 /nfs/dbraw/zinc/67/09/36/387670936.db2.gz WPBPBZRWVQOUMI-VXGBXAGGSA-N 1 3 241.379 0.833 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000376984486 387682771 /nfs/dbraw/zinc/68/27/71/387682771.db2.gz ASDVNDMLVNVENC-CMPLNLGQSA-N 1 3 227.352 0.762 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377749616 387746004 /nfs/dbraw/zinc/74/60/04/387746004.db2.gz WNAIHSWHWKSMEN-DCAQKATOSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)N(C)C ZINC000422865263 387747826 /nfs/dbraw/zinc/74/78/26/387747826.db2.gz XLVSDCZOHGKGOP-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1N[C@H]1CC[NH2+]C1 ZINC000422871526 387749155 /nfs/dbraw/zinc/74/91/55/387749155.db2.gz DABCFPYVAVJJSH-JFGNBEQYSA-N 1 3 209.337 0.421 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1N ZINC000422876876 387754753 /nfs/dbraw/zinc/75/47/53/387754753.db2.gz QVUUYRYAZREPTG-IXOXFDKPSA-N 1 3 223.364 0.939 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCC[C@@H]1[NH3+] ZINC000422876876 387754756 /nfs/dbraw/zinc/75/47/56/387754756.db2.gz QVUUYRYAZREPTG-IXOXFDKPSA-N 1 3 223.364 0.939 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+]CCN1CCCCC1 ZINC000422801813 387701759 /nfs/dbraw/zinc/70/17/59/387701759.db2.gz AQLFUHMSHFTCML-VXGBXAGGSA-N 1 3 211.353 0.942 20 0 BCADHO [NH3+][C@@H]1CCC[C@H]1NCCN1CCCCC1 ZINC000422801813 387701765 /nfs/dbraw/zinc/70/17/65/387701765.db2.gz AQLFUHMSHFTCML-VXGBXAGGSA-N 1 3 211.353 0.942 20 0 BCADHO COC[C@H](O)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000127115745 387706456 /nfs/dbraw/zinc/70/64/56/387706456.db2.gz NYTBWTGFXRODNW-CHWSQXEVSA-N 1 3 244.379 0.800 20 0 BCADHO COC[C@H](O)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000127115745 387706462 /nfs/dbraw/zinc/70/64/62/387706462.db2.gz NYTBWTGFXRODNW-CHWSQXEVSA-N 1 3 244.379 0.800 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC1CC[NH2+]CC1 ZINC000237574900 387711514 /nfs/dbraw/zinc/71/15/14/387711514.db2.gz HRLXSEWEJMNBSS-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000629613986 387712731 /nfs/dbraw/zinc/71/27/31/387712731.db2.gz UOFGBQLAVSEDCT-GMTAPVOTSA-N 1 3 227.352 0.713 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]([NH3+])C(C)C ZINC000157025051 387713302 /nfs/dbraw/zinc/71/33/02/387713302.db2.gz SSBCDOYMZYQBLG-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000441374706 387755246 /nfs/dbraw/zinc/75/52/46/387755246.db2.gz GOGNIYJNGLTYPB-WOPDTQHZSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424141707 387719777 /nfs/dbraw/zinc/71/97/77/387719777.db2.gz HNRVIEZCEUACAB-UTUOFQBUSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H]1C ZINC000377561361 387727876 /nfs/dbraw/zinc/72/78/76/387727876.db2.gz HHEMNJKRJVMOOC-WISYIIOYSA-N 1 3 239.363 0.583 20 0 BCADHO CCC[C@@H](C(=O)N1CCN[C@@H](C)C1)[NH+](C)C ZINC000422841654 387733184 /nfs/dbraw/zinc/73/31/84/387733184.db2.gz WKGTXAWPENGWID-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N(C)C ZINC000422843120 387733196 /nfs/dbraw/zinc/73/31/96/387733196.db2.gz HCNMOAPVLULSNA-GRYCIOLGSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)CN1C1CC1 ZINC000422848609 387735425 /nfs/dbraw/zinc/73/54/25/387735425.db2.gz AXYINMFMNVBZLU-VWYCJHECSA-N 1 3 209.337 0.563 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C12CCCN1CCC2 ZINC000422847680 387735974 /nfs/dbraw/zinc/73/59/74/387735974.db2.gz IRXVWVSFNJRQMD-NSHDSACASA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](C(C)C)N(C)C ZINC000157121056 387742384 /nfs/dbraw/zinc/74/23/84/387742384.db2.gz PQEHNSGYEGYAFQ-MNOVXSKESA-N 1 3 229.368 0.672 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H]2CNCC[C@@H]2C)C1 ZINC000422890341 387763866 /nfs/dbraw/zinc/76/38/66/387763866.db2.gz RSRNZORJSDVXEV-RWMBFGLXSA-N 1 3 241.379 0.295 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000129146071 387764809 /nfs/dbraw/zinc/76/48/09/387764809.db2.gz HCXAGAROAJLFSV-NEPJUHHUSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000129146071 387764812 /nfs/dbraw/zinc/76/48/12/387764812.db2.gz HCXAGAROAJLFSV-NEPJUHHUSA-N 1 3 240.347 0.966 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CNCC[C@H]1C ZINC000422904537 387767810 /nfs/dbraw/zinc/76/78/10/387767810.db2.gz GXMACHKFKSENJC-NEPJUHHUSA-N 1 3 229.368 0.152 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)CC(N)=O)[C@@H]1CCCCN1 ZINC000422910378 387769371 /nfs/dbraw/zinc/76/93/71/387769371.db2.gz HYZRRFUERMGSIK-AEJSXWLSSA-N 1 3 213.325 0.371 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)CC(N)=O)[C@H]1CCCCN1 ZINC000422910380 387769543 /nfs/dbraw/zinc/76/95/43/387769543.db2.gz HYZRRFUERMGSIK-IVZWLZJFSA-N 1 3 213.325 0.371 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000378204361 387771821 /nfs/dbraw/zinc/77/18/21/387771821.db2.gz UFYSANOYWDWZKA-GFCCVEGCSA-N 1 3 243.326 0.146 20 0 BCADHO N[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000422914401 387771888 /nfs/dbraw/zinc/77/18/88/387771888.db2.gz UABNHEPFSWZRCE-QWHCGFSZSA-N 1 3 247.342 0.886 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000441619187 387772155 /nfs/dbraw/zinc/77/21/55/387772155.db2.gz ZLRPFXZTKNFSPB-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000441626728 387772780 /nfs/dbraw/zinc/77/27/80/387772780.db2.gz JHBMYABFDCWNIX-JQWIXIFHSA-N 1 3 235.331 0.267 20 0 BCADHO CC[C@H](C(=O)NC[C@H](C)C[NH3+])N(CC)CC ZINC000441628512 387773763 /nfs/dbraw/zinc/77/37/63/387773763.db2.gz RCEYBPQYVINNBZ-GHMZBOCLSA-N 1 3 229.368 0.818 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000422925210 387777726 /nfs/dbraw/zinc/77/77/26/387777726.db2.gz ZWQMWYRUUKJMJO-KKJSVHSVSA-N 1 3 239.363 0.711 20 0 BCADHO CC(C)N1C[C@H](N[C@@H](C)C[C@H](C)[NH3+])CC1=O ZINC000422927215 387779924 /nfs/dbraw/zinc/77/99/24/387779924.db2.gz YKADLUQMUWJRPV-GARJFASQSA-N 1 3 227.352 0.711 20 0 BCADHO C[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000378525274 387789635 /nfs/dbraw/zinc/78/96/35/387789635.db2.gz FBTNNAICTLHFNA-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000378525274 387789641 /nfs/dbraw/zinc/78/96/41/387789641.db2.gz FBTNNAICTLHFNA-QWRGUYRKSA-N 1 3 239.363 0.809 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000309452913 387790309 /nfs/dbraw/zinc/79/03/09/387790309.db2.gz MYYQJIYFBMGOKO-BBBLOLIVSA-N 1 3 213.325 0.084 20 0 BCADHO CC[C@H](NC[C@H](O)CN(C)C)[C@@H]1CCC[NH2+]1 ZINC000422980249 387790694 /nfs/dbraw/zinc/79/06/94/387790694.db2.gz OZBUHILMJAJWNB-SRVKXCTJSA-N 1 3 229.368 0.029 20 0 BCADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424149859 387792860 /nfs/dbraw/zinc/79/28/60/387792860.db2.gz XROFWCITHIPHJQ-TUAOUCFPSA-N 1 3 239.363 0.428 20 0 BCADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424149859 387792864 /nfs/dbraw/zinc/79/28/64/387792864.db2.gz XROFWCITHIPHJQ-TUAOUCFPSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000193566439 387796163 /nfs/dbraw/zinc/79/61/63/387796163.db2.gz ALTKNOAHQHZACR-OUAUKWLOSA-N 1 3 225.336 0.385 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000432527712 387800103 /nfs/dbraw/zinc/80/01/03/387800103.db2.gz RGYIRXLHPYSHJW-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442621116 387808421 /nfs/dbraw/zinc/80/84/21/387808421.db2.gz OUGNHDVBTWGPMP-GFCCVEGCSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442605222 387808564 /nfs/dbraw/zinc/80/85/64/387808564.db2.gz ZXVXHHVYIKTQAF-NEPJUHHUSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442598801 387808667 /nfs/dbraw/zinc/80/86/67/387808667.db2.gz AUVFBAKZIGLTLJ-SRVKXCTJSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@@H](NC[C@@H](O)CN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973254 387820741 /nfs/dbraw/zinc/82/07/41/387820741.db2.gz BONYSBUMJWHZMV-UTUOFQBUSA-N 1 3 229.368 0.029 20 0 BCADHO C[C@@H](NC[C@H](O)CN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422973247 387821363 /nfs/dbraw/zinc/82/13/63/387821363.db2.gz BONYSBUMJWHZMV-GRYCIOLGSA-N 1 3 229.368 0.029 20 0 BCADHO C[NH2+]CCOCCN[C@@H](C)c1c[nH]nc1C ZINC000629529886 387872905 /nfs/dbraw/zinc/87/29/05/387872905.db2.gz PHKJLINBDRJONV-VIFPVBQESA-N 1 3 226.324 0.605 20 0 BCADHO C[NH2+]CCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000418321290 387822347 /nfs/dbraw/zinc/82/23/47/387822347.db2.gz YLLQYBNWJRIARG-NSHDSACASA-N 1 3 242.367 0.330 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442721965 387828950 /nfs/dbraw/zinc/82/89/50/387828950.db2.gz WSQLBLDFDIYSMB-WOPDTQHZSA-N 1 3 239.363 0.857 20 0 BCADHO CCCC[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000442715449 387829180 /nfs/dbraw/zinc/82/91/80/387829180.db2.gz MVHTUOURNHJYDB-JTQLQIEISA-N 1 3 229.368 0.947 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)[C@H](C)CC ZINC000442734532 387833333 /nfs/dbraw/zinc/83/33/33/387833333.db2.gz UEKFXZUHCKHSNJ-VWYCJHECSA-N 1 3 229.368 0.994 20 0 BCADHO C[NH+](C)CCCNC(=O)c1ccc2c(c1)CNC2 ZINC000058084401 387840395 /nfs/dbraw/zinc/84/03/95/387840395.db2.gz MKFNQCYYSUXBJW-UHFFFAOYSA-N 1 3 247.342 0.971 20 0 BCADHO CC(C)C(=O)NCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000423018839 387841378 /nfs/dbraw/zinc/84/13/78/387841378.db2.gz ZXVAHTOFTHOIAT-RYUDHWBXSA-N 1 3 241.379 0.866 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1C[C@@H](CN)C[C@H]1C ZINC000442794567 387841513 /nfs/dbraw/zinc/84/15/13/387841513.db2.gz TZBCZGSHPODVQO-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CC[N@H+]1C[C@@H](CN)C[C@H]1C ZINC000442794567 387841518 /nfs/dbraw/zinc/84/15/18/387841518.db2.gz TZBCZGSHPODVQO-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CCCCNC(=O)CCN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442794567 387841522 /nfs/dbraw/zinc/84/15/22/387841522.db2.gz TZBCZGSHPODVQO-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO COC[C@@H](C[NH2+][C@H](C)[C@H]1CCCCN1)OC ZINC000423038470 387852629 /nfs/dbraw/zinc/85/26/29/387852629.db2.gz CWQZUZILKJPMAU-IJLUTSLNSA-N 1 3 230.352 0.768 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157710978 387866738 /nfs/dbraw/zinc/86/67/38/387866738.db2.gz GHFKCESTZHXXMK-ZJUUUORDSA-N 1 3 213.325 0.310 20 0 BCADHO CO[C@H](C)CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000423061901 387868458 /nfs/dbraw/zinc/86/84/58/387868458.db2.gz RWNLYSSEJXSWQK-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO CO[C@H](C)C[NH2+][C@H]1CCNCC[C@@H]1C ZINC000423061901 387868462 /nfs/dbraw/zinc/86/84/62/387868462.db2.gz RWNLYSSEJXSWQK-AXFHLTTASA-N 1 3 200.326 0.999 20 0 BCADHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424173483 387871251 /nfs/dbraw/zinc/87/12/51/387871251.db2.gz DUTIYGCOKPXMFS-HCWSGVFWSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537371 387874890 /nfs/dbraw/zinc/87/48/90/387874890.db2.gz GGAHJMNPXJNKJY-RCWTZXSCSA-N 1 3 215.316 0.226 20 0 BCADHO CC[C@@H]1CN(C[C@@H](C)[NH3+])CCN1C[C@H](C)O ZINC000442654290 387814991 /nfs/dbraw/zinc/81/49/91/387814991.db2.gz AYDFZLNEGSLGPZ-GRYCIOLGSA-N 1 3 229.368 0.111 20 0 BCADHO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[C@@H]1N ZINC000424180938 387893760 /nfs/dbraw/zinc/89/37/60/387893760.db2.gz QAUVUFKNZXGMLZ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CC[C@@H]1CN(CCN[C@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000423085076 387878107 /nfs/dbraw/zinc/87/81/07/387878107.db2.gz JGDUDHLDGJNAAU-JHJVBQTASA-N 1 3 243.395 0.813 20 0 BCADHO COC(=O)[C@H]1CC[C@@H](N[C@@H](C)[C@@H]2CC[NH2+]C2)C1 ZINC000423082055 387879413 /nfs/dbraw/zinc/87/94/13/387879413.db2.gz CJDTXFNQDNRYHD-NNYUYHANSA-N 1 3 240.347 0.916 20 0 BCADHO CC[C@@H]1CN(CCN[C@H]2CCC[C@H]2[NH3+])CCO1 ZINC000423086211 387881033 /nfs/dbraw/zinc/88/10/33/387881033.db2.gz LQHQNGCYGKSGKM-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423141412 387919087 /nfs/dbraw/zinc/91/90/87/387919087.db2.gz PSHHTJNEIMWMLV-WXHSDQCUSA-N 1 3 226.364 0.983 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184984 387899561 /nfs/dbraw/zinc/89/95/61/387899561.db2.gz YXFJVGNWGXUEEV-VLEAKVRGSA-N 1 3 225.336 0.132 20 0 BCADHO CCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236934538 387913618 /nfs/dbraw/zinc/91/36/18/387913618.db2.gz KBYNAYARIRUSBR-KJLIAQIISA-N 1 3 225.336 0.513 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000423141409 387917367 /nfs/dbraw/zinc/91/73/67/387917367.db2.gz PSHHTJNEIMWMLV-KGYLQXTDSA-N 1 3 226.364 0.983 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424215828 387933127 /nfs/dbraw/zinc/93/31/27/387933127.db2.gz GWTMIWSCLKPBPR-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[C@@H](CO)C1 ZINC000423156962 387936053 /nfs/dbraw/zinc/93/60/53/387936053.db2.gz LUXYVHUNBLWSHA-USZNOCQGSA-N 1 3 212.337 0.735 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423145558 387923143 /nfs/dbraw/zinc/92/31/43/387923143.db2.gz LHCVAPUITFHZBY-JHJVBQTASA-N 1 3 244.379 0.881 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423145557 387923700 /nfs/dbraw/zinc/92/37/00/387923700.db2.gz LHCVAPUITFHZBY-FRRDWIJNSA-N 1 3 244.379 0.881 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000237801152 387928181 /nfs/dbraw/zinc/92/81/81/387928181.db2.gz QYYDBJPUJINZCO-NSHDSACASA-N 1 3 239.363 0.764 20 0 BCADHO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCCN1 ZINC000237965183 387928987 /nfs/dbraw/zinc/92/89/87/387928987.db2.gz ZXNINIQQSCDDEC-AYLPWXGPSA-N 1 3 237.347 0.528 20 0 BCADHO C[C@@H](CN1CCOCC1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424289018 387952306 /nfs/dbraw/zinc/95/23/06/387952306.db2.gz LGALZKRWFAUBSS-YNEHKIRRSA-N 1 3 241.379 0.567 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000156222761 387943668 /nfs/dbraw/zinc/94/36/68/387943668.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156222761 387943670 /nfs/dbraw/zinc/94/36/70/387943670.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 1 3 243.395 0.637 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156222761 387943674 /nfs/dbraw/zinc/94/36/74/387943674.db2.gz RKWKSVBYEUNOLE-QWHCGFSZSA-N 1 3 243.395 0.637 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NCCC1(CO)CC1 ZINC000423161126 387943912 /nfs/dbraw/zinc/94/39/12/387943912.db2.gz NJBQEDXICIGUPO-QWRGUYRKSA-N 1 3 212.337 0.737 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCC(C)(C)CO ZINC000423165122 387947851 /nfs/dbraw/zinc/94/78/51/387947851.db2.gz XWXNQZZKXSKQFI-GHMZBOCLSA-N 1 3 214.353 0.983 20 0 BCADHO CC1(C)C[NH2+][C@H]1C(=O)NCCNc1ccncc1 ZINC000645643192 387947879 /nfs/dbraw/zinc/94/78/79/387947879.db2.gz QQVKWUJXUNZADA-NSHDSACASA-N 1 3 248.330 0.030 20 0 BCADHO CC(C)([NH3+])CC(=O)NCCNc1ccncc1 ZINC000645642889 387948480 /nfs/dbraw/zinc/94/84/80/387948480.db2.gz KYGANFAMBBZFOV-UHFFFAOYSA-N 1 3 236.319 0.159 20 0 BCADHO CCN1C[C@H](NC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423185896 387969394 /nfs/dbraw/zinc/96/93/94/387969394.db2.gz NUUPLMWZJGSOAO-JQWIXIFHSA-N 1 3 211.353 0.668 20 0 BCADHO Cc1ccnc([C@H](C)NCCN2CC[NH2+]CC2)c1 ZINC000423200634 387988462 /nfs/dbraw/zinc/98/84/62/387988462.db2.gz GBHBBFVXHWVQBN-ZDUSSCGKSA-N 1 3 248.374 0.946 20 0 BCADHO C[NH2+]CCCN[C@H]1CN(C2CC2)C[C@@H]1C ZINC000423200328 387985246 /nfs/dbraw/zinc/98/52/46/387985246.db2.gz LVEBNANFCIWRAK-JQWIXIFHSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H](NCCN1CC[NH2+]CC1)c1cccc(O)c1 ZINC000423201393 387986981 /nfs/dbraw/zinc/98/69/81/387986981.db2.gz INXXLDOVYWGBGF-GFCCVEGCSA-N 1 3 249.358 0.948 20 0 BCADHO CCN1C[C@H](C)[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC000423217484 387999293 /nfs/dbraw/zinc/99/92/93/387999293.db2.gz UGOFLYPCPCCUEY-YNEHKIRRSA-N 1 3 225.380 0.916 20 0 BCADHO CCN1C[C@H](NC[C@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000423217481 388000052 /nfs/dbraw/zinc/00/00/52/388000052.db2.gz UGOFLYPCPCCUEY-AVGNSLFASA-N 1 3 225.380 0.916 20 0 BCADHO C[C@@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N(C)C ZINC000252714825 135101872 /nfs/dbraw/zinc/10/18/72/135101872.db2.gz TUTPJNIVOOPGBE-WOPDTQHZSA-N 1 3 213.369 0.866 20 0 BCADHO COCCN(C)CC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000159356697 388009894 /nfs/dbraw/zinc/00/98/94/388009894.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000159356697 388009897 /nfs/dbraw/zinc/00/98/97/388009897.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 1 3 243.395 0.494 20 0 BCADHO COCCN(C)CCN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000159356697 388009898 /nfs/dbraw/zinc/00/98/98/388009898.db2.gz OQQPITJIDSLWRF-OLZOCXBDSA-N 1 3 243.395 0.494 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257313 388018470 /nfs/dbraw/zinc/01/84/70/388018470.db2.gz GCSYDVDWLNKTOC-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257313 388018476 /nfs/dbraw/zinc/01/84/76/388018476.db2.gz GCSYDVDWLNKTOC-UWVGGRQHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000082257312 388019003 /nfs/dbraw/zinc/01/90/03/388019003.db2.gz GCSYDVDWLNKTOC-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000082257312 388019006 /nfs/dbraw/zinc/01/90/06/388019006.db2.gz GCSYDVDWLNKTOC-NXEZZACHSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@H](C)O[C@H]1C ZINC000423273860 388053831 /nfs/dbraw/zinc/05/38/31/388053831.db2.gz LJHARLDLDJPFJF-XWLWVQCSSA-N 1 3 200.326 0.997 20 0 BCADHO C[NH+]1CCC(CCNC(=O)C(C)(C)N)CC1 ZINC000083911664 388066770 /nfs/dbraw/zinc/06/67/70/388066770.db2.gz RLDYCGKNBFOPNP-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000086932320 388111380 /nfs/dbraw/zinc/11/13/80/388111380.db2.gz HBXIQPSTUIZWQX-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000086932320 388111382 /nfs/dbraw/zinc/11/13/82/388111382.db2.gz HBXIQPSTUIZWQX-AXFHLTTASA-N 1 3 225.336 0.419 20 0 BCADHO CN(C)CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000083369808 388049934 /nfs/dbraw/zinc/04/99/34/388049934.db2.gz RCXWDLWIIXLKPP-UHFFFAOYSA-N 1 3 241.379 0.964 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000646216795 388167145 /nfs/dbraw/zinc/16/71/45/388167145.db2.gz XTAHQCBEMHMXRG-XWLWVQCSSA-N 1 3 242.367 0.504 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)C1([NH3+])CCC1 ZINC000449343054 388177107 /nfs/dbraw/zinc/17/71/07/388177107.db2.gz HKXINWGOJNBCRZ-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CC(C)(C)[NH3+])[C@@H]2C1 ZINC000646297376 388178275 /nfs/dbraw/zinc/17/82/75/388178275.db2.gz DRFSKJCLNPIYMX-WDEREUQCSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000488503326 388183110 /nfs/dbraw/zinc/18/31/10/388183110.db2.gz UKIRAIUTIDFJOQ-OUAUKWLOSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000488503326 388183112 /nfs/dbraw/zinc/18/31/12/388183112.db2.gz UKIRAIUTIDFJOQ-OUAUKWLOSA-N 1 3 227.352 0.250 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](C)NC1CC1 ZINC000449371860 388185264 /nfs/dbraw/zinc/18/52/64/388185264.db2.gz ZKEIWSRRAKPEEX-VIFPVBQESA-N 1 3 213.325 0.243 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H]1CC[NH2+]1 ZINC000646012291 388124493 /nfs/dbraw/zinc/12/44/93/388124493.db2.gz KZOCOOXCKCWXHT-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@H](C)C[NH3+] ZINC000646012029 388124585 /nfs/dbraw/zinc/12/45/85/388124585.db2.gz DWWTVHCCYSAQQK-MNOVXSKESA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H](C)C[NH3+] ZINC000646012028 388124598 /nfs/dbraw/zinc/12/45/98/388124598.db2.gz DWWTVHCCYSAQQK-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CNC(=O)NC[C@@H]1CCCN1C)[NH+](C)C ZINC000454635023 388126292 /nfs/dbraw/zinc/12/62/92/388126292.db2.gz UHSLDVYLMRTNOY-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1NCC1(C)C ZINC000646050466 388133617 /nfs/dbraw/zinc/13/36/17/388133617.db2.gz GELFEZSPJHNGSV-VIFPVBQESA-N 1 3 227.352 0.489 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1C ZINC000449101487 388141775 /nfs/dbraw/zinc/14/17/75/388141775.db2.gz FKQZSAOAOUVALM-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](N)c1ccccc1 ZINC000449106684 388143811 /nfs/dbraw/zinc/14/38/11/388143811.db2.gz IUWJAFCPKHXNBP-RTXFEEFZSA-N 1 3 247.342 0.658 20 0 BCADHO CCC(CC)(C[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000449115434 388144331 /nfs/dbraw/zinc/14/43/31/388144331.db2.gz LKNFASLVODQBDP-SECBINFHSA-N 1 3 227.352 0.761 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000449112104 388144504 /nfs/dbraw/zinc/14/45/04/388144504.db2.gz BJKNVZULKXBDET-QPUJVOFHSA-N 1 3 225.336 0.371 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000449118016 388145162 /nfs/dbraw/zinc/14/51/62/388145162.db2.gz RASHUYKABHLRRE-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)C1(N)CCC1 ZINC000449137805 388147400 /nfs/dbraw/zinc/14/74/00/388147400.db2.gz AIQGGCNZCNEBGQ-VIFPVBQESA-N 1 3 213.325 0.502 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)C1(N)CCC1 ZINC000449137513 388147789 /nfs/dbraw/zinc/14/77/89/388147789.db2.gz FWIKQALMYYSRHG-UHFFFAOYSA-N 1 3 213.325 0.311 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449144278 388148625 /nfs/dbraw/zinc/14/86/25/388148625.db2.gz SKPDWHHWYUVHMB-GXSJLCMTSA-N 1 3 227.352 0.761 20 0 BCADHO O=C(C[NH2+]CC1CC1)N[C@@H]1CNCCC1(F)F ZINC000449661399 388249927 /nfs/dbraw/zinc/24/99/27/388249927.db2.gz ZTLXFLFRXUBURL-SECBINFHSA-N 1 3 247.289 0.099 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)[C@@H](C)N ZINC000165107503 388250209 /nfs/dbraw/zinc/25/02/09/388250209.db2.gz GRUVMKGFVYLZIU-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCN(CC)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000449680144 388250979 /nfs/dbraw/zinc/25/09/79/388250979.db2.gz GBTHEGHFTLTTRK-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CNCCC1(F)F ZINC000449668106 388251063 /nfs/dbraw/zinc/25/10/63/388251063.db2.gz SJYLOSAFWNOZII-VXNVDRBHSA-N 1 3 247.289 0.240 20 0 BCADHO CCC[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000449673458 388251371 /nfs/dbraw/zinc/25/13/71/388251371.db2.gz ZRSMBPMSVGXNRY-SECBINFHSA-N 1 3 213.325 0.454 20 0 BCADHO CC[C@H](N)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000164300149 388206378 /nfs/dbraw/zinc/20/63/78/388206378.db2.gz KHQMXKDIPVLAJX-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H](C)NC1CC1 ZINC000449498707 388218680 /nfs/dbraw/zinc/21/86/80/388218680.db2.gz KVJUEHMLHQWKAD-BDAKNGLRSA-N 1 3 213.325 0.241 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000449497744 388219053 /nfs/dbraw/zinc/21/90/53/388219053.db2.gz RMSAHQLZMDDTLI-HBNTYKKESA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000449503237 388219474 /nfs/dbraw/zinc/21/94/74/388219474.db2.gz XLYYMZOPVAOXNF-YWVKMMECSA-N 1 3 225.336 0.384 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000489512745 388220048 /nfs/dbraw/zinc/22/00/48/388220048.db2.gz OMLNCMQKOXSXJN-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646320685 388221166 /nfs/dbraw/zinc/22/11/66/388221166.db2.gz YOVRHEGKDGQQHY-GWCFXTLKSA-N 1 3 237.347 0.196 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000449546142 388229049 /nfs/dbraw/zinc/22/90/49/388229049.db2.gz UVWCZBZCNNUXKK-FYLLDIAZSA-N 1 3 239.363 0.630 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000449546143 388229127 /nfs/dbraw/zinc/22/91/27/388229127.db2.gz UVWCZBZCNNUXKK-MIZYBKAJSA-N 1 3 239.363 0.630 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@H](C)[NH3+])N(C)C ZINC000449605905 388240594 /nfs/dbraw/zinc/24/05/94/388240594.db2.gz XHKGTFPDGFIANV-AEJSXWLSSA-N 1 3 215.341 0.425 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]([NH3+])CC ZINC000449608956 388242397 /nfs/dbraw/zinc/24/23/97/388242397.db2.gz LRZONCROTDVCLH-VIFPVBQESA-N 1 3 201.314 0.182 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]([NH3+])CC)N(CC)CC ZINC000449611413 388242629 /nfs/dbraw/zinc/24/26/29/388242629.db2.gz VOOXDTBRAJUNJK-WDEREUQCSA-N 1 3 229.368 0.960 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](CC)N(CC)CC ZINC000449611411 388243223 /nfs/dbraw/zinc/24/32/23/388243223.db2.gz VOOXDTBRAJUNJK-MNOVXSKESA-N 1 3 229.368 0.960 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](CC[NH3+])C(F)F ZINC000449623446 388244196 /nfs/dbraw/zinc/24/41/96/388244196.db2.gz LRRPFTUKRMLERJ-MRVPVSSYSA-N 1 3 237.294 0.425 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000449624867 388245400 /nfs/dbraw/zinc/24/54/00/388245400.db2.gz NZHWTHBZVGHDJY-SFYZADRCSA-N 1 3 237.294 0.603 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000449629230 388245936 /nfs/dbraw/zinc/24/59/36/388245936.db2.gz FETOXZFWDVHDRG-QJPTWQEYSA-N 1 3 239.363 0.762 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCCCN2)C1 ZINC000449629229 388246030 /nfs/dbraw/zinc/24/60/30/388246030.db2.gz FETOXZFWDVHDRG-IJLUTSLNSA-N 1 3 239.363 0.762 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000449640440 388247742 /nfs/dbraw/zinc/24/77/42/388247742.db2.gz BFEPTCZBFJZUFS-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO O[C@H](C[NH2+]CCOCCF)CN1CCCC1 ZINC000629585558 388283142 /nfs/dbraw/zinc/28/31/42/388283142.db2.gz WONAAIZELNVWEL-LLVKDONJSA-N 1 3 234.315 0.019 20 0 BCADHO CC(C)(N)C[NH+]1CCC(C)(CO)CC1 ZINC000261530633 135157836 /nfs/dbraw/zinc/15/78/36/135157836.db2.gz CWUDIMNXZWLTRJ-UHFFFAOYSA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H]1CCN(C)CCN1C(=O)/C=C/C[NH+](C)C ZINC000491845201 388324701 /nfs/dbraw/zinc/32/47/01/388324701.db2.gz JSPNEYNCADRAJC-BTDICHCPSA-N 1 3 239.363 0.657 20 0 BCADHO CC[NH+](CC)CCNC(=O)/C=C\CN(C)C ZINC000491870869 388325544 /nfs/dbraw/zinc/32/55/44/388325544.db2.gz PDSHZLRPVMSAKY-FPLPWBNLSA-N 1 3 227.352 0.562 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000491883750 388326271 /nfs/dbraw/zinc/32/62/71/388326271.db2.gz LMIGQTQRNWMPAM-BTDICHCPSA-N 1 3 239.363 0.514 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000491883750 388326272 /nfs/dbraw/zinc/32/62/72/388326272.db2.gz LMIGQTQRNWMPAM-BTDICHCPSA-N 1 3 239.363 0.514 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000491883755 388326298 /nfs/dbraw/zinc/32/62/98/388326298.db2.gz LMIGQTQRNWMPAM-FYJFLYSWSA-N 1 3 239.363 0.514 20 0 BCADHO CN(C)C/C=C/C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000491883755 388326299 /nfs/dbraw/zinc/32/62/99/388326299.db2.gz LMIGQTQRNWMPAM-FYJFLYSWSA-N 1 3 239.363 0.514 20 0 BCADHO CC(C)[N@H+](C)CCCNC(=O)/C=C/CN(C)C ZINC000491892494 388326530 /nfs/dbraw/zinc/32/65/30/388326530.db2.gz LSFCINSAUCTXRW-SOFGYWHQSA-N 1 3 241.379 0.951 20 0 BCADHO CC(C)[N@@H+](C)CCCNC(=O)/C=C/CN(C)C ZINC000491892494 388326531 /nfs/dbraw/zinc/32/65/31/388326531.db2.gz LSFCINSAUCTXRW-SOFGYWHQSA-N 1 3 241.379 0.951 20 0 BCADHO CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCCN(C)C1 ZINC000491901824 388326970 /nfs/dbraw/zinc/32/69/70/388326970.db2.gz CHUZCESSFKZCQX-WAFBPQNNSA-N 1 3 239.363 0.657 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953458 388268998 /nfs/dbraw/zinc/26/89/98/388268998.db2.gz UVHSIOXFHYIZSE-GFCCVEGCSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953458 388269000 /nfs/dbraw/zinc/26/90/00/388269000.db2.gz UVHSIOXFHYIZSE-GFCCVEGCSA-N 1 3 237.347 0.339 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953453 388269511 /nfs/dbraw/zinc/26/95/11/388269511.db2.gz UPTXHVOSRLVBEX-ZYHUDNBSSA-N 1 3 239.363 0.442 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@H](N)CC(F)F ZINC000516571310 388349922 /nfs/dbraw/zinc/34/99/22/388349922.db2.gz SDVQEKXJJFDLQS-SSDOTTSWSA-N 1 3 237.294 0.412 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584013 388358395 /nfs/dbraw/zinc/35/83/95/388358395.db2.gz MFKALVOCXKJLDY-MXWKQRLJSA-N 1 3 237.347 0.609 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000261533183 135163990 /nfs/dbraw/zinc/16/39/90/135163990.db2.gz AWDQSDAOVFFHIH-KOLCDFICSA-N 1 3 213.325 0.454 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000300392126 388365197 /nfs/dbraw/zinc/36/51/97/388365197.db2.gz YOBJUTLXEMDLQB-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000300392126 388365199 /nfs/dbraw/zinc/36/51/99/388365199.db2.gz YOBJUTLXEMDLQB-SDDRHHMPSA-N 1 3 212.337 0.953 20 0 BCADHO CC(C)N(C)CC(=O)NCCCC[NH3+] ZINC000236648736 388381278 /nfs/dbraw/zinc/38/12/78/388381278.db2.gz KQBREMKUSHDMAO-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CCCC[C@@H](N)C(=O)NCC[NH2+]CC ZINC000236745184 388382173 /nfs/dbraw/zinc/38/21/73/388382173.db2.gz JSYKPCLUEAISAE-SECBINFHSA-N 1 3 201.314 0.230 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236692192 388382424 /nfs/dbraw/zinc/38/24/24/388382424.db2.gz OWAWIRSUTRNARU-WDEREUQCSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000236715946 388382626 /nfs/dbraw/zinc/38/26/26/388382626.db2.gz ILZPUTYEAWIJEO-JTQLQIEISA-N 1 3 213.325 0.167 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000572876632 388383218 /nfs/dbraw/zinc/38/32/18/388383218.db2.gz PSEJIWRBSXWLTJ-CMPLNLGQSA-N 1 3 227.352 0.620 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000236804167 388383656 /nfs/dbraw/zinc/38/36/56/388383656.db2.gz MGGUKHOLZFJOMF-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000236837667 388384474 /nfs/dbraw/zinc/38/44/74/388384474.db2.gz LCJAWMORPOJUOW-NSHDSACASA-N 1 3 227.352 0.526 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000236902786 388385798 /nfs/dbraw/zinc/38/57/98/388385798.db2.gz WLMSIQPVHCKTBH-NEPJUHHUSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000236908154 388386157 /nfs/dbraw/zinc/38/61/57/388386157.db2.gz WLMSIQPVHCKTBH-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO NC[C@H](C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000646575093 388387389 /nfs/dbraw/zinc/38/73/89/388387389.db2.gz UOJUVSCPGFJHDV-ZDUSSCGKSA-N 1 3 247.342 0.597 20 0 BCADHO CC[C@H](N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000236958018 388387640 /nfs/dbraw/zinc/38/76/40/388387640.db2.gz ODJCOMZRQABOHY-VIFPVBQESA-N 1 3 239.323 0.121 20 0 BCADHO C[NH2+]CCCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237130925 388390143 /nfs/dbraw/zinc/39/01/43/388390143.db2.gz GYVOUPHTWVUCOQ-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO COc1ccccc1[C@H](N)CNC(=O)[C@@H](C)[NH3+] ZINC000646600427 388393201 /nfs/dbraw/zinc/39/32/01/388393201.db2.gz LYIOQPQVCBJRQQ-PSASIEDQSA-N 1 3 237.303 0.158 20 0 BCADHO C[NH2+]CC(=O)NC[C@@H](N)c1ccccc1OC ZINC000646600714 388393322 /nfs/dbraw/zinc/39/33/22/388393322.db2.gz OFIFLPYDFOLQPE-SNVBAGLBSA-N 1 3 237.303 0.031 20 0 BCADHO COc1ccccc1[C@@H](N)CNC(=O)[C@@H](C)[NH3+] ZINC000646600428 388393340 /nfs/dbraw/zinc/39/33/40/388393340.db2.gz LYIOQPQVCBJRQQ-SCZZXKLOSA-N 1 3 237.303 0.158 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000237627068 388397898 /nfs/dbraw/zinc/39/78/98/388397898.db2.gz AHLIZCMHGWHKRJ-GUBZILKMSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000237627068 388397900 /nfs/dbraw/zinc/39/79/00/388397900.db2.gz AHLIZCMHGWHKRJ-GUBZILKMSA-N 1 3 213.325 0.132 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000237804735 388399692 /nfs/dbraw/zinc/39/96/92/388399692.db2.gz BCFVVCOMCPKQFL-SECBINFHSA-N 1 3 211.309 0.126 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000646650865 388403054 /nfs/dbraw/zinc/40/30/54/388403054.db2.gz MADWMDQELLVNQV-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO N[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045258 388448419 /nfs/dbraw/zinc/44/84/19/388448419.db2.gz MXHKVNHBKUZTNN-NWDGAFQWSA-N 1 3 237.347 0.420 20 0 BCADHO N[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000335045258 388448422 /nfs/dbraw/zinc/44/84/22/388448422.db2.gz MXHKVNHBKUZTNN-NWDGAFQWSA-N 1 3 237.347 0.420 20 0 BCADHO CCOC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000405144598 388452359 /nfs/dbraw/zinc/45/23/59/388452359.db2.gz VUKHPJVXLGTGRL-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO CCOC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000405144598 388452360 /nfs/dbraw/zinc/45/23/60/388452360.db2.gz VUKHPJVXLGTGRL-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO CCOC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000405144598 388452362 /nfs/dbraw/zinc/45/23/62/388452362.db2.gz VUKHPJVXLGTGRL-UHFFFAOYSA-N 1 3 216.325 0.856 20 0 BCADHO [NH3+]CCOCC(=O)Nc1ccc2c(c1)CNCC2 ZINC000646751038 388458034 /nfs/dbraw/zinc/45/80/34/388458034.db2.gz NJWGMLKMNVNGPI-UHFFFAOYSA-N 1 3 249.314 0.246 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000646664743 388407260 /nfs/dbraw/zinc/40/72/60/388407260.db2.gz XQSUURYYQIHRAG-RTBKNWGFSA-N 1 3 225.336 0.371 20 0 BCADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C1CC1 ZINC000646686821 388416410 /nfs/dbraw/zinc/41/64/10/388416410.db2.gz VHYRTFJEJHMNJO-LBPRGKRZSA-N 1 3 239.363 0.729 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)NC[C@H](N)c1ccccc1 ZINC000646696955 388419380 /nfs/dbraw/zinc/41/93/80/388419380.db2.gz DIIJORWHPYAESR-NWDGAFQWSA-N 1 3 247.342 0.801 20 0 BCADHO C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCNC2=O)C1 ZINC000573164745 388428132 /nfs/dbraw/zinc/42/81/32/388428132.db2.gz XBQXINRRESWEGQ-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000261539258 135177637 /nfs/dbraw/zinc/17/76/37/135177637.db2.gz BYKUPXSJIBEBPF-PSASIEDQSA-N 1 3 213.325 0.357 20 0 BCADHO CC(C)(O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246029416 388436067 /nfs/dbraw/zinc/43/60/67/388436067.db2.gz XQMDIAPYVNXUII-MNOVXSKESA-N 1 3 212.337 0.974 20 0 BCADHO CC(C)(O)CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246029416 388436069 /nfs/dbraw/zinc/43/60/69/388436069.db2.gz XQMDIAPYVNXUII-MNOVXSKESA-N 1 3 212.337 0.974 20 0 BCADHO NC1(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000517230428 388543562 /nfs/dbraw/zinc/54/35/62/388543562.db2.gz DSUWBVSUPBKWDY-UHFFFAOYSA-N 1 3 231.299 0.762 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000517235137 388544311 /nfs/dbraw/zinc/54/43/11/388544311.db2.gz GZOVZIGEFVZLDN-YPMHNXCESA-N 1 3 249.358 0.800 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000517237600 388544766 /nfs/dbraw/zinc/54/47/66/388544766.db2.gz LUBVXIOENXRJSC-AEJSXWLSSA-N 1 3 215.341 0.602 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649277220 388500723 /nfs/dbraw/zinc/50/07/23/388500723.db2.gz MXDOLKMLPOUOQG-WYUUTHIRSA-N 1 3 237.347 0.052 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649278833 388505665 /nfs/dbraw/zinc/50/56/65/388505665.db2.gz GLCFKXUGHHUJGU-JLLWLGSASA-N 1 3 237.347 0.337 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000548113437 388513344 /nfs/dbraw/zinc/51/33/44/388513344.db2.gz YSKYUPPQRRASLD-LLVKDONJSA-N 1 3 239.363 0.491 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000548113437 388513346 /nfs/dbraw/zinc/51/33/46/388513346.db2.gz YSKYUPPQRRASLD-LLVKDONJSA-N 1 3 239.363 0.491 20 0 BCADHO N[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041049 388536389 /nfs/dbraw/zinc/53/63/89/388536389.db2.gz DBXKQLBOIBRFBN-RYUDHWBXSA-N 1 3 239.363 0.858 20 0 BCADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CNC1CC1 ZINC000245969856 388612764 /nfs/dbraw/zinc/61/27/64/388612764.db2.gz NVFUAVBVSMXLGC-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CNC1CC1 ZINC000245969856 388612765 /nfs/dbraw/zinc/61/27/65/388612765.db2.gz NVFUAVBVSMXLGC-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000517719696 388557467 /nfs/dbraw/zinc/55/74/67/388557467.db2.gz NOENOZRQFNTTDO-WOPDTQHZSA-N 1 3 239.363 0.490 20 0 BCADHO CNC[C@@](C)(O)C[NH+]1CCCCCC1 ZINC000521054991 388561247 /nfs/dbraw/zinc/56/12/47/388561247.db2.gz RFZQASQGKRUNMT-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCCCCC1 ZINC000521054991 388561250 /nfs/dbraw/zinc/56/12/50/388561250.db2.gz RFZQASQGKRUNMT-LLVKDONJSA-N 1 3 200.326 0.833 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000521041796 256834317 /nfs/dbraw/zinc/83/43/17/256834317.db2.gz ZKGOJWLIGULDMW-YWVKMMECSA-N 1 3 225.336 0.384 20 0 BCADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000530182675 388624082 /nfs/dbraw/zinc/62/40/82/388624082.db2.gz YPGHXBGKMGGKTJ-FRRDWIJNSA-N 1 3 239.363 0.191 20 0 BCADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COCCN1 ZINC000530182675 388624084 /nfs/dbraw/zinc/62/40/84/388624084.db2.gz YPGHXBGKMGGKTJ-FRRDWIJNSA-N 1 3 239.363 0.191 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530219413 388631307 /nfs/dbraw/zinc/63/13/07/388631307.db2.gz LSCRFNDXMZFPOO-WOPDTQHZSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C1C[NH2+]C1 ZINC000530224364 388634323 /nfs/dbraw/zinc/63/43/23/388634323.db2.gz LPYFWEXHHFPABL-ULHKAFAUSA-N 1 3 212.337 0.996 20 0 BCADHO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C1CNC1 ZINC000530224364 388634327 /nfs/dbraw/zinc/63/43/27/388634327.db2.gz LPYFWEXHHFPABL-ULHKAFAUSA-N 1 3 212.337 0.996 20 0 BCADHO C(NC1CC[NH+](C2CC2)CC1)[C@H]1COCCN1 ZINC000530226898 388635683 /nfs/dbraw/zinc/63/56/83/388635683.db2.gz URYFAGOTDZDNOF-LBPRGKRZSA-N 1 3 239.363 0.191 20 0 BCADHO CCOC[C@H]1CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000530232438 388636845 /nfs/dbraw/zinc/63/68/45/388636845.db2.gz PCVDVVYVKVFQKK-QWHCGFSZSA-N 1 3 242.363 0.723 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H](C)N1 ZINC000620897925 388652329 /nfs/dbraw/zinc/65/23/29/388652329.db2.gz GUHBFPYCHIFDKM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H](C)N1 ZINC000620897925 388652330 /nfs/dbraw/zinc/65/23/30/388652330.db2.gz GUHBFPYCHIFDKM-QJPTWQEYSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000246923050 388655220 /nfs/dbraw/zinc/65/52/20/388655220.db2.gz KHGOLQZEOGPING-OUAUKWLOSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N(C)C ZINC000648730520 388752036 /nfs/dbraw/zinc/75/20/36/388752036.db2.gz FWKPFTKBXCIZMG-GMTAPVOTSA-N 1 3 227.352 0.393 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)C ZINC000648730520 388752039 /nfs/dbraw/zinc/75/20/39/388752039.db2.gz FWKPFTKBXCIZMG-GMTAPVOTSA-N 1 3 227.352 0.393 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000230191411 388819246 /nfs/dbraw/zinc/81/92/46/388819246.db2.gz IIQVLAGHDAFYGW-GARJFASQSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1CN(C)C ZINC000092956712 388822851 /nfs/dbraw/zinc/82/28/51/388822851.db2.gz MRPQORNIVUZYEX-TUAOUCFPSA-N 1 3 239.363 0.537 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000523662593 388849662 /nfs/dbraw/zinc/84/96/62/388849662.db2.gz XBFJLAIMWRXYPZ-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO CCN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000523662593 388849664 /nfs/dbraw/zinc/84/96/64/388849664.db2.gz XBFJLAIMWRXYPZ-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000564949551 388900409 /nfs/dbraw/zinc/90/04/09/388900409.db2.gz ANEWJLNEPUMBDJ-LPEHRKFASA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H](NC1CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000564950411 388901097 /nfs/dbraw/zinc/90/10/97/388901097.db2.gz CTYIQZDNOHLRDE-VIFPVBQESA-N 1 3 223.320 0.163 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000564981890 388905632 /nfs/dbraw/zinc/90/56/32/388905632.db2.gz RHUOPVYFGGCSNK-SCVCMEIPSA-N 1 3 241.379 0.946 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565029658 388909336 /nfs/dbraw/zinc/90/93/36/388909336.db2.gz BRIBJTMYJMBQHG-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000565029663 388909895 /nfs/dbraw/zinc/90/98/95/388909895.db2.gz BRIBJTMYJMBQHG-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](C)C[N@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565233679 388929676 /nfs/dbraw/zinc/92/96/76/388929676.db2.gz OJNHYPCGUDIDPF-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](C)C[N@@H+]1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565233679 388929673 /nfs/dbraw/zinc/92/96/73/388929673.db2.gz OJNHYPCGUDIDPF-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CCN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC000368687334 169693829 /nfs/dbraw/zinc/69/38/29/169693829.db2.gz JQSYEAVGROQVMO-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)N1CC[C@H]([NH3+])c2cc(OC)ccc21 ZINC000365493475 132453848 /nfs/dbraw/zinc/45/38/48/132453848.db2.gz ONWLJXWPBNPHCZ-NSHDSACASA-N 1 3 249.314 0.651 20 0 BCADHO CNC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335930962 134010304 /nfs/dbraw/zinc/01/03/04/134010304.db2.gz HNPMHONDDUPECM-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO CNC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335930962 134010305 /nfs/dbraw/zinc/01/03/05/134010305.db2.gz HNPMHONDDUPECM-ZDUSSCGKSA-N 1 3 239.363 0.540 20 0 BCADHO O=C(NC[C@H]1NCCc2ccccc21)C1C[NH2+]C1 ZINC000336114254 134087694 /nfs/dbraw/zinc/08/76/94/134087694.db2.gz QKGBMELNUYGYOY-CYBMUJFWSA-N 1 3 245.326 0.209 20 0 BCADHO CC(C)NC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000336128114 134093625 /nfs/dbraw/zinc/09/36/25/134093625.db2.gz OCXVMFGKRIKKQJ-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)C1CC([NH3+])C1 ZINC000336211995 134134624 /nfs/dbraw/zinc/13/46/24/134134624.db2.gz BOPIGSDIWFYOOC-JYBOHDQNSA-N 1 3 239.363 0.807 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCC2)CN1C1CC1 ZINC000336213117 134135488 /nfs/dbraw/zinc/13/54/88/134135488.db2.gz CVVVXOIPVGCNDZ-ZJUUUORDSA-N 1 3 237.347 0.609 20 0 BCADHO C[C@@]1(CNC(=O)C2(N)CCC2)CCC[NH2+]C1 ZINC000336213775 134135794 /nfs/dbraw/zinc/13/57/94/134135794.db2.gz DOILYZZHDWFJRL-LLVKDONJSA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000218868683 134265337 /nfs/dbraw/zinc/26/53/37/134265337.db2.gz KFNLIKCSVREANL-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO COC[C@@H]([NH2+]CCOCCN(C)C)C(C)C ZINC000219323353 134281194 /nfs/dbraw/zinc/28/11/94/134281194.db2.gz SCSJCWHXRIXKHO-GFCCVEGCSA-N 1 3 232.368 0.825 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178405569 134309971 /nfs/dbraw/zinc/30/99/71/134309971.db2.gz GDUUSLGEPDFXJU-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CC(C)[C@@H]1C(=O)NCCN1CC1CC[NH2+]CC1 ZINC000178972231 134313902 /nfs/dbraw/zinc/31/39/02/134313902.db2.gz HAFWGRZPOVCBQR-GFCCVEGCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000178809376 134315002 /nfs/dbraw/zinc/31/50/02/134315002.db2.gz QTVGYDGTBUBDEG-QWRGUYRKSA-N 1 3 225.336 0.278 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815597 134315547 /nfs/dbraw/zinc/31/55/47/134315547.db2.gz HSDPWMBBRFGBOA-ZJUUUORDSA-N 1 3 213.325 0.147 20 0 BCADHO CNCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815597 134315548 /nfs/dbraw/zinc/31/55/48/134315548.db2.gz HSDPWMBBRFGBOA-ZJUUUORDSA-N 1 3 213.325 0.147 20 0 BCADHO O[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418876 134331910 /nfs/dbraw/zinc/33/19/10/134331910.db2.gz VCUGZOOXABFCSJ-UPJWGTAASA-N 1 3 240.347 0.354 20 0 BCADHO O[C@]1(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOC1 ZINC000222418876 134331911 /nfs/dbraw/zinc/33/19/11/134331911.db2.gz VCUGZOOXABFCSJ-UPJWGTAASA-N 1 3 240.347 0.354 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000224022698 134344437 /nfs/dbraw/zinc/34/44/37/134344437.db2.gz NELSQUQBGKDPMQ-QJPTWQEYSA-N 1 3 230.352 0.456 20 0 BCADHO CCOC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000224022698 134344438 /nfs/dbraw/zinc/34/44/38/134344438.db2.gz NELSQUQBGKDPMQ-QJPTWQEYSA-N 1 3 230.352 0.456 20 0 BCADHO CC(C)C[NH+]1CCC(N[C@@H](C)CC(N)=O)CC1 ZINC000226313334 134360198 /nfs/dbraw/zinc/36/01/98/134360198.db2.gz LQIWPUORTMXDJG-NSHDSACASA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403932 134365481 /nfs/dbraw/zinc/36/54/81/134365481.db2.gz SRNWKKZHIHTUGT-YFKTTZPYSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403932 134365482 /nfs/dbraw/zinc/36/54/82/134365482.db2.gz SRNWKKZHIHTUGT-YFKTTZPYSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000226868791 134370306 /nfs/dbraw/zinc/37/03/06/134370306.db2.gz VVILLYPXRWIEPG-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226867559 134370623 /nfs/dbraw/zinc/37/06/23/134370623.db2.gz SRNWKKZHIHTUGT-BJDJZHNGSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226867559 134370624 /nfs/dbraw/zinc/37/06/24/134370624.db2.gz SRNWKKZHIHTUGT-BJDJZHNGSA-N 1 3 241.379 0.959 20 0 BCADHO Cn1ccc(CNCCOCC[NH+](C)C)c1 ZINC000226744684 134371097 /nfs/dbraw/zinc/37/10/97/134371097.db2.gz MJHZQWLLKDKMQX-UHFFFAOYSA-N 1 3 225.336 0.693 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185174614 134372525 /nfs/dbraw/zinc/37/25/25/134372525.db2.gz WEXQVIXYAIJQQY-LNFKQOIKSA-N 1 3 239.363 0.556 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195232609 134837942 /nfs/dbraw/zinc/83/79/42/134837942.db2.gz LSQXFKGRCPBILB-ZNSHCXBVSA-N 1 3 225.336 0.038 20 0 BCADHO CCN1CCC[C@H](NC(=O)[C@H](C[NH3+])C(C)C)C1 ZINC000250370628 135053195 /nfs/dbraw/zinc/05/31/95/135053195.db2.gz VPKIBRHVOYGNAQ-NWDGAFQWSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](O)CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251198566 135065710 /nfs/dbraw/zinc/06/57/10/135065710.db2.gz KFNZBTPDCRCACF-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](O)CCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251198566 135065711 /nfs/dbraw/zinc/06/57/11/135065711.db2.gz KFNZBTPDCRCACF-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN2CCC[C@H]2C1 ZINC000251309869 135068032 /nfs/dbraw/zinc/06/80/32/135068032.db2.gz JVHKYINWXHRIJD-RYUDHWBXSA-N 1 3 239.363 0.524 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252140063 135084628 /nfs/dbraw/zinc/08/46/28/135084628.db2.gz NBQQTYNYGSKULV-GMTAPVOTSA-N 1 3 216.325 0.066 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252140063 135084631 /nfs/dbraw/zinc/08/46/31/135084631.db2.gz NBQQTYNYGSKULV-GMTAPVOTSA-N 1 3 216.325 0.066 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000252137363 135085065 /nfs/dbraw/zinc/08/50/65/135085065.db2.gz MSNJCURMHZQZBY-BBBLOLIVSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COCCO1 ZINC000252385814 135087454 /nfs/dbraw/zinc/08/74/54/135087454.db2.gz KMEHOFPZBWQXGE-NDBYEHHHSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1COCCO1 ZINC000252385814 135087456 /nfs/dbraw/zinc/08/74/56/135087456.db2.gz KMEHOFPZBWQXGE-NDBYEHHHSA-N 1 3 242.363 0.720 20 0 BCADHO C[C@H](O)CCN(C)C[C@H]1CCC[NH2+]C1 ZINC000252688109 135097180 /nfs/dbraw/zinc/09/71/80/135097180.db2.gz NFEATJYFRUDVGC-QWRGUYRKSA-N 1 3 200.326 0.689 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CN(C)CCO1 ZINC000252730512 135103721 /nfs/dbraw/zinc/10/37/21/135103721.db2.gz LRKZTIXDQOWGIK-JHJVBQTASA-N 1 3 241.379 0.247 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CN(C)CCO1 ZINC000252730512 135103723 /nfs/dbraw/zinc/10/37/23/135103723.db2.gz LRKZTIXDQOWGIK-JHJVBQTASA-N 1 3 241.379 0.247 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261598977 135110032 /nfs/dbraw/zinc/11/00/32/135110032.db2.gz ZQOBMEBPKTYWMB-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@@H](C(=O)NC[C@H](C)N(C)C)[C@H](C)[NH3+] ZINC000252882731 135115521 /nfs/dbraw/zinc/11/55/21/135115521.db2.gz ZRTNETCKATYCIT-YIZRAAEISA-N 1 3 201.314 0.036 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000262367798 135117808 /nfs/dbraw/zinc/11/78/08/135117808.db2.gz LIGJQMZWXRHVAE-ONGXEEELSA-N 1 3 245.392 0.135 20 0 BCADHO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]1CN ZINC000253020444 135119216 /nfs/dbraw/zinc/11/92/16/135119216.db2.gz JSJHVWVLQDSCIE-HBNTYKKESA-N 1 3 200.326 0.864 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CN ZINC000253096456 135121309 /nfs/dbraw/zinc/12/13/09/135121309.db2.gz LVPZPOVTFMCQDN-VPOLOUISSA-N 1 3 212.337 0.863 20 0 BCADHO CC1(C)[C@H](O)C[C@@H]1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000253096456 135121310 /nfs/dbraw/zinc/12/13/10/135121310.db2.gz LVPZPOVTFMCQDN-VPOLOUISSA-N 1 3 212.337 0.863 20 0 BCADHO C[NH2+]CCC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000258791995 135134375 /nfs/dbraw/zinc/13/43/75/135134375.db2.gz MMMYMVXJXDZPPK-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)C1CCN(C)CC1 ZINC000259166701 135137230 /nfs/dbraw/zinc/13/72/30/135137230.db2.gz NTWGHYXCOFUMCX-UHFFFAOYSA-N 1 3 241.379 0.772 20 0 BCADHO Cn1cc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000257638601 135137703 /nfs/dbraw/zinc/13/77/03/135137703.db2.gz AEKVNNUSXHNLQW-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO C[NH+]1CCC(C(=O)N2CCNC(C)(C)C2)CC1 ZINC000259321989 135142655 /nfs/dbraw/zinc/14/26/55/135142655.db2.gz XJVBTCYEFVQKIY-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO COC(=O)[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000260219632 135147703 /nfs/dbraw/zinc/14/77/03/135147703.db2.gz VZGYLIOQWPEORO-VXGBXAGGSA-N 1 3 240.347 0.966 20 0 BCADHO COC(=O)[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000260219632 135147704 /nfs/dbraw/zinc/14/77/04/135147704.db2.gz VZGYLIOQWPEORO-VXGBXAGGSA-N 1 3 240.347 0.966 20 0 BCADHO CCOC[C@H](C)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261530174 135157567 /nfs/dbraw/zinc/15/75/67/135157567.db2.gz XPVVRBQCGRBEDU-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO CCOC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000261530174 135157569 /nfs/dbraw/zinc/15/75/69/135157569.db2.gz XPVVRBQCGRBEDU-VWYCJHECSA-N 1 3 200.326 0.999 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CC[C@H]2CCOC2)C1 ZINC000261530261 135157733 /nfs/dbraw/zinc/15/77/33/135157733.db2.gz CCXWOSVGSYBAKA-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000261530261 135157735 /nfs/dbraw/zinc/15/77/35/135157735.db2.gz CCXWOSVGSYBAKA-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000261530261 135157737 /nfs/dbraw/zinc/15/77/37/135157737.db2.gz CCXWOSVGSYBAKA-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCNC1 ZINC000087647881 135160666 /nfs/dbraw/zinc/16/06/66/135160666.db2.gz CIMGCWGBTFIFHF-FKJOKYEKSA-N 1 3 224.348 0.974 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCNC1 ZINC000087647881 135160667 /nfs/dbraw/zinc/16/06/67/135160667.db2.gz CIMGCWGBTFIFHF-FKJOKYEKSA-N 1 3 224.348 0.974 20 0 BCADHO OC1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[NH2+]C1 ZINC000087647881 135160670 /nfs/dbraw/zinc/16/06/70/135160670.db2.gz CIMGCWGBTFIFHF-FKJOKYEKSA-N 1 3 224.348 0.974 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)C(C)C ZINC000261532472 135162693 /nfs/dbraw/zinc/16/26/93/135162693.db2.gz AITLKUFBWTZSAA-UWVGGRQHSA-N 1 3 215.341 0.603 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)C(C)(C)C ZINC000261533440 135164972 /nfs/dbraw/zinc/16/49/72/135164972.db2.gz AZRWBTGADCLZKD-RKDXNWHRSA-N 1 3 215.341 0.474 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN[C@H](C)[C@H]1C ZINC000261539073 135177472 /nfs/dbraw/zinc/17/74/72/135177472.db2.gz BMFLYMBNADSPFX-AXTSPUMRSA-N 1 3 213.325 0.179 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261540041 135178975 /nfs/dbraw/zinc/17/89/75/135178975.db2.gz DCOLRPRIGZQOBA-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CNC(=O)[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261541067 135180989 /nfs/dbraw/zinc/18/09/89/135180989.db2.gz JECWZALUGMHDSD-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1 ZINC000261541067 135180991 /nfs/dbraw/zinc/18/09/91/135180991.db2.gz JECWZALUGMHDSD-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1 ZINC000261541067 135180993 /nfs/dbraw/zinc/18/09/93/135180993.db2.gz JECWZALUGMHDSD-NWDGAFQWSA-N 1 3 239.363 0.444 20 0 BCADHO C(CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000261541984 135182165 /nfs/dbraw/zinc/18/21/65/135182165.db2.gz GFXQQFIBKDJPIF-UTUOFQBUSA-N 1 3 210.321 0.564 20 0 BCADHO CC[C@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000261543102 135183982 /nfs/dbraw/zinc/18/39/82/135183982.db2.gz HKYJNQMILAJGFH-GXSJLCMTSA-N 1 3 215.341 0.603 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261550818 135190170 /nfs/dbraw/zinc/19/01/70/135190170.db2.gz PSSIZZBJPDSDNC-LPEHRKFASA-N 1 3 213.325 0.051 20 0 BCADHO CC1(C)CN(C[C@@]2(C)CC[NH2+]C2)C[C@H]1O ZINC000261551152 135190268 /nfs/dbraw/zinc/19/02/68/135190268.db2.gz QFIANAOPNFPWSO-PWSUYJOCSA-N 1 3 212.337 0.689 20 0 BCADHO OC[C@@]1(F)CCN(CC2CC[NH2+]CC2)C1 ZINC000261551387 135190635 /nfs/dbraw/zinc/19/06/35/135190635.db2.gz QMHAUPJGRBOEFF-LLVKDONJSA-N 1 3 216.300 0.392 20 0 BCADHO O[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557283 135197688 /nfs/dbraw/zinc/19/76/88/135197688.db2.gz XEIDBYMALKXECZ-GHMZBOCLSA-N 1 3 210.321 0.443 20 0 BCADHO O[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC12CC2 ZINC000261557287 135197925 /nfs/dbraw/zinc/19/79/25/135197925.db2.gz XEIDBYMALKXECZ-QWRGUYRKSA-N 1 3 210.321 0.443 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000261560891 135201682 /nfs/dbraw/zinc/20/16/82/135201682.db2.gz AHLIZCMHGWHKRJ-OPRDCNLKSA-N 1 3 213.325 0.132 20 0 BCADHO C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000261560891 135201684 /nfs/dbraw/zinc/20/16/84/135201684.db2.gz AHLIZCMHGWHKRJ-OPRDCNLKSA-N 1 3 213.325 0.132 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NCCn1cccn1 ZINC000261562017 135203761 /nfs/dbraw/zinc/20/37/61/135203761.db2.gz AXXAZEKYKURXHU-NSHDSACASA-N 1 3 222.336 0.861 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]CCn1cccn1 ZINC000261562017 135203762 /nfs/dbraw/zinc/20/37/62/135203762.db2.gz AXXAZEKYKURXHU-NSHDSACASA-N 1 3 222.336 0.861 20 0 BCADHO O=C(CC[C@@H]1CCC[NH2+]1)NCCN1CCCC1 ZINC000261562077 135203856 /nfs/dbraw/zinc/20/38/56/135203856.db2.gz VZJIREHUYWHRGW-LBPRGKRZSA-N 1 3 239.363 0.731 20 0 BCADHO C[NH2+]CCC1CCN(CCn2cncn2)CC1 ZINC000261565365 135207788 /nfs/dbraw/zinc/20/77/88/135207788.db2.gz YFGJCZABVQKVRF-UHFFFAOYSA-N 1 3 237.351 0.600 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000261574122 135216035 /nfs/dbraw/zinc/21/60/35/135216035.db2.gz JCEYGDHVYGEZGS-MWLCHTKSSA-N 1 3 213.325 0.324 20 0 BCADHO CN1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000261584547 135225999 /nfs/dbraw/zinc/22/59/99/135225999.db2.gz PXXUYJCUVGVEAK-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000261591119 135232092 /nfs/dbraw/zinc/23/20/92/135232092.db2.gz VBQALCPADZHATO-FXBDTBDDSA-N 1 3 213.325 0.213 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000261547090 135239433 /nfs/dbraw/zinc/23/94/33/135239433.db2.gz LUJVSUVQHUJLFG-UTINFBMNSA-N 1 3 213.325 0.179 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000261547766 135241293 /nfs/dbraw/zinc/24/12/93/135241293.db2.gz MSJKLBRGOSXPHI-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@]1(C(N)=O)CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261772830 135251674 /nfs/dbraw/zinc/25/16/74/135251674.db2.gz MWNFWAOEOSJXDL-NWDGAFQWSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)CN1 ZINC000261801772 135254385 /nfs/dbraw/zinc/25/43/85/135254385.db2.gz MPXPPDZBRQCJMU-FIQHERPVSA-N 1 3 239.363 0.713 20 0 BCADHO NC[C@H](C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000261886851 135259997 /nfs/dbraw/zinc/25/99/97/135259997.db2.gz BJLNRJRLPLFFCC-STQMWFEESA-N 1 3 247.342 0.582 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261892302 135260738 /nfs/dbraw/zinc/26/07/38/135260738.db2.gz CLTQBLJWDYORFS-CHWSQXEVSA-N 1 3 247.342 0.410 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261900091 135260792 /nfs/dbraw/zinc/26/07/92/135260792.db2.gz YVSGLVHKLAHNFD-WCABBAIRSA-N 1 3 225.336 0.323 20 0 BCADHO CCCN(C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000261909729 135261463 /nfs/dbraw/zinc/26/14/63/135261463.db2.gz GKRUBNJKGRRDBJ-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(CC)CC ZINC000261925210 135263389 /nfs/dbraw/zinc/26/33/89/135263389.db2.gz JXPCGOXLPGZINK-VXGBXAGGSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@@H](CC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996370 135270470 /nfs/dbraw/zinc/27/04/70/135270470.db2.gz ZFMAJPBWQAJXGK-QWHCGFSZSA-N 1 3 247.342 0.930 20 0 BCADHO CCN1CCCN(CC2CC[NH2+]CC2)CC1=O ZINC000262013889 135272739 /nfs/dbraw/zinc/27/27/39/135272739.db2.gz VKKVQXKMYQDJLT-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO C[C@]1(CN2CCCC[C@H]2CC(N)=O)CC[NH2+]C1 ZINC000262064584 135277131 /nfs/dbraw/zinc/27/71/31/135277131.db2.gz RMLDTVJZYZRGLP-AAEUAGOBSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@]1(CN2CCC[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075430 135277449 /nfs/dbraw/zinc/27/74/49/135277449.db2.gz SODZOHCUBWVQPD-DGCLKSJQSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000262178071 135283919 /nfs/dbraw/zinc/28/39/19/135283919.db2.gz WFMOUWWEYKYKMI-FRRDWIJNSA-N 1 3 223.364 0.622 20 0 BCADHO C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000262178071 135283921 /nfs/dbraw/zinc/28/39/21/135283921.db2.gz WFMOUWWEYKYKMI-FRRDWIJNSA-N 1 3 223.364 0.622 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342576634 135291475 /nfs/dbraw/zinc/29/14/75/135291475.db2.gz AHFZPAREJCQFTK-YPMHNXCESA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000262307065 135292137 /nfs/dbraw/zinc/29/21/37/135292137.db2.gz CLBCUNWJDZJVNN-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000262307062 135292146 /nfs/dbraw/zinc/29/21/46/135292146.db2.gz CLBCUNWJDZJVNN-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000262307063 135292382 /nfs/dbraw/zinc/29/23/82/135292382.db2.gz CLBCUNWJDZJVNN-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO NC[C@@H](C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000342584174 135292701 /nfs/dbraw/zinc/29/27/01/135292701.db2.gz HZQBBBZXOHOGIO-GFCCVEGCSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000262336169 135293575 /nfs/dbraw/zinc/29/35/75/135293575.db2.gz HGWJTYRQXKABDG-UTUOFQBUSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@H]1NCCc2ccccc21 ZINC000262425476 135296001 /nfs/dbraw/zinc/29/60/01/135296001.db2.gz SFGJHJPUQLUNEX-GXFFZTMASA-N 1 3 247.342 0.584 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000262367795 135297772 /nfs/dbraw/zinc/29/77/72/135297772.db2.gz LIGJQMZWXRHVAE-KOLCDFICSA-N 1 3 245.392 0.135 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000262394736 135298579 /nfs/dbraw/zinc/29/85/79/135298579.db2.gz OSIOCCSSRVXYOR-WOPDTQHZSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)NCCN(C)C)CC[N@@H+]1C ZINC000342637660 135299053 /nfs/dbraw/zinc/29/90/53/135299053.db2.gz BQOJZUOKZTZBHW-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)NCCN(C)C)CC[N@H+]1C ZINC000342637660 135299054 /nfs/dbraw/zinc/29/90/54/135299054.db2.gz BQOJZUOKZTZBHW-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CC(C)(N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262469480 135300902 /nfs/dbraw/zinc/30/09/02/135300902.db2.gz ZNGLAMSUAQTNNC-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NCC1([NH3+])CCC1 ZINC000342602644 135301874 /nfs/dbraw/zinc/30/18/74/135301874.db2.gz YPINWEXHEBHPBA-LBPRGKRZSA-N 1 3 247.342 0.554 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000262515493 135304251 /nfs/dbraw/zinc/30/42/51/135304251.db2.gz RMFHSQFVUOTJPI-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000262544792 135305175 /nfs/dbraw/zinc/30/51/75/135305175.db2.gz ZOCDQILURJUOOU-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000262585309 135306887 /nfs/dbraw/zinc/30/68/87/135306887.db2.gz UNAUWSQHETZEQT-NWDGAFQWSA-N 1 3 241.379 0.641 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000262586422 135307429 /nfs/dbraw/zinc/30/74/29/135307429.db2.gz SOVFRBKNRGWGGD-ZYHUDNBSSA-N 1 3 239.363 0.524 20 0 BCADHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000262591690 135307488 /nfs/dbraw/zinc/30/74/88/135307488.db2.gz UAUSDDOMGRDOTN-UHFFFAOYSA-N 1 3 229.368 0.770 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)C(C)(C)C ZINC000262617937 135308803 /nfs/dbraw/zinc/30/88/03/135308803.db2.gz ZVIYMKYKORXHKK-VHSXEESVSA-N 1 3 229.368 0.994 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000262655719 135311799 /nfs/dbraw/zinc/31/17/99/135311799.db2.gz CSDXONQYWIVISF-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000262655719 135311801 /nfs/dbraw/zinc/31/18/01/135311801.db2.gz CSDXONQYWIVISF-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)[C@@H](C)CC ZINC000262608716 135315481 /nfs/dbraw/zinc/31/54/81/135315481.db2.gz UEKFXZUHCKHSNJ-AXFHLTTASA-N 1 3 229.368 0.994 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342732728 135316909 /nfs/dbraw/zinc/31/69/09/135316909.db2.gz LTLHEFNTDAXVAK-CYBMUJFWSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@H]1NCCN(C(=O)C[NH2+]CC2CC2)[C@H]1C ZINC000262779812 135318344 /nfs/dbraw/zinc/31/83/44/135318344.db2.gz LGUZXGMRDYXBRR-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000262828991 135320546 /nfs/dbraw/zinc/32/05/46/135320546.db2.gz URFRQANPOQSWRB-DCAQKATOSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])N(C)C ZINC000262953516 135324978 /nfs/dbraw/zinc/32/49/78/135324978.db2.gz JZYDACWBYOXEAO-MDZLAQPJSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(N)CCCCC1 ZINC000334325516 135353929 /nfs/dbraw/zinc/35/39/29/135353929.db2.gz KRGRDCQINLCVKK-WDEREUQCSA-N 1 3 239.363 0.844 20 0 BCADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000334375021 135377352 /nfs/dbraw/zinc/37/73/52/135377352.db2.gz DHNHQCWYVKZNFN-RYUDHWBXSA-N 1 3 239.363 0.716 20 0 BCADHO CN(CCNC(=O)[C@H]1CCCCC[NH2+]1)C1CC1 ZINC000081001035 135385793 /nfs/dbraw/zinc/38/57/93/135385793.db2.gz YSZZOGVRZPJSNQ-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C2(C)C[NH2+]C2)C1 ZINC000335600779 135417479 /nfs/dbraw/zinc/41/74/79/135417479.db2.gz QRCXHUALZUULTE-SNVBAGLBSA-N 1 3 225.336 0.149 20 0 BCADHO NC1(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000083834091 135457885 /nfs/dbraw/zinc/45/78/85/135457885.db2.gz KRTRQQWBHHLFFT-UHFFFAOYSA-N 1 3 225.336 0.470 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000084186726 135466252 /nfs/dbraw/zinc/46/62/52/135466252.db2.gz IXXIJXVLMDGPRA-NSHDSACASA-N 1 3 239.363 0.811 20 0 BCADHO CC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000084215782 135467560 /nfs/dbraw/zinc/46/75/60/135467560.db2.gz WNDHGJBZHXQZDZ-MXWKQRLJSA-N 1 3 200.326 0.864 20 0 BCADHO COC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084221226 135468384 /nfs/dbraw/zinc/46/83/84/135468384.db2.gz KZNHLONFFBSLGS-GMTAPVOTSA-N 1 3 200.326 0.986 20 0 BCADHO CC(=O)[C@](C)(O)CN1CCC(C[NH+](C)C)CC1 ZINC000347751966 136011291 /nfs/dbraw/zinc/01/12/91/136011291.db2.gz RLHOGWNSOZFICX-CYBMUJFWSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1C=C[C@@H](CO)C1 ZINC000348069703 136026583 /nfs/dbraw/zinc/02/65/83/136026583.db2.gz HXWDTMBLRKGART-NDBYEHHHSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1C=C[C@@H](CO)C1 ZINC000348069703 136026584 /nfs/dbraw/zinc/02/65/84/136026584.db2.gz HXWDTMBLRKGART-NDBYEHHHSA-N 1 3 224.348 0.853 20 0 BCADHO CC(C)(N)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000335345025 136065803 /nfs/dbraw/zinc/06/58/03/136065803.db2.gz FXLUMYKYBCKADF-RKDXNWHRSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+]CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000335358042 136074905 /nfs/dbraw/zinc/07/49/05/136074905.db2.gz IFMYKLURAWYWRB-UHFFFAOYSA-N 1 3 240.351 0.215 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCCNCC1 ZINC000335368117 136081860 /nfs/dbraw/zinc/08/18/60/136081860.db2.gz SQVOYGUBFXWOBQ-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO N[C@H](C(=O)N1CCC(C[NH3+])CC1)C1CCC1 ZINC000335402063 136087266 /nfs/dbraw/zinc/08/72/66/136087266.db2.gz YPQFBSBGLCLBCC-NSHDSACASA-N 1 3 225.336 0.311 20 0 BCADHO NC1(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCCC1 ZINC000335397089 136093216 /nfs/dbraw/zinc/09/32/16/136093216.db2.gz UVBVLKVJTKWYQD-LBPRGKRZSA-N 1 3 237.347 0.612 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2(C)C[NH2+]C2)CN1C1CC1 ZINC000335562878 136106616 /nfs/dbraw/zinc/10/66/16/136106616.db2.gz ZNJYGAMVZVBJCL-NXEZZACHSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(C)C[NH2+]C2)CN1C1CC1 ZINC000335562879 136106655 /nfs/dbraw/zinc/10/66/55/136106655.db2.gz ZNJYGAMVZVBJCL-UWVGGRQHSA-N 1 3 237.347 0.337 20 0 BCADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(N)CC1 ZINC000165319063 397750221 /nfs/dbraw/zinc/75/02/21/397750221.db2.gz DOONSTRLXOKLLF-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1(N)CC1 ZINC000165319063 397750224 /nfs/dbraw/zinc/75/02/24/397750224.db2.gz DOONSTRLXOKLLF-JTQLQIEISA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)CCC[NH3+])CCN1C ZINC000178816105 397847804 /nfs/dbraw/zinc/84/78/04/397847804.db2.gz SMDSNDWVJDQHSV-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO NC1(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000390402802 397888927 /nfs/dbraw/zinc/88/89/27/397888927.db2.gz AJXQAIHJELUOBR-UHFFFAOYSA-N 1 3 205.261 0.575 20 0 BCADHO CCC[C@H]1CNCCN1C(=O)C[NH+](CC)CC ZINC000359196499 397950457 /nfs/dbraw/zinc/95/04/57/397950457.db2.gz LSVQYFIPGKVOMB-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO NC(C(=O)N[C@H]1CCC[C@H]1C[NH3+])C(F)(F)F ZINC000353132692 397960410 /nfs/dbraw/zinc/96/04/10/397960410.db2.gz SHCADDRZAORUDB-ACZMJKKPSA-N 1 3 239.241 0.120 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000383194894 397960469 /nfs/dbraw/zinc/96/04/69/397960469.db2.gz VFRGEBJZMQYDSL-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000383194894 397960472 /nfs/dbraw/zinc/96/04/72/397960472.db2.gz VFRGEBJZMQYDSL-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]CC(=O)N1CCCC[C@H]1CN(C)C ZINC000083914419 322861566 /nfs/dbraw/zinc/86/15/66/322861566.db2.gz ZFLPWDAIBPFTTH-JTQLQIEISA-N 1 3 213.325 0.149 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@H+](C)CC ZINC000054132966 397903306 /nfs/dbraw/zinc/90/33/06/397903306.db2.gz SOSFHJFTKIUKQD-ZJUUUORDSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[N@@H+](C)CC ZINC000054132966 397903307 /nfs/dbraw/zinc/90/33/07/397903307.db2.gz SOSFHJFTKIUKQD-ZJUUUORDSA-N 1 3 215.341 0.428 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000054132958 397903402 /nfs/dbraw/zinc/90/34/02/397903402.db2.gz HEOILELZAWIOEI-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@@H](N)C(C)(C)C ZINC000054132958 397903405 /nfs/dbraw/zinc/90/34/05/397903405.db2.gz HEOILELZAWIOEI-SECBINFHSA-N 1 3 215.341 0.428 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)NC2CC2)C1 ZINC000382965269 397911401 /nfs/dbraw/zinc/91/14/01/397911401.db2.gz PUVXNAKOQUIRLR-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)NC2CC2)C1 ZINC000382965269 397911405 /nfs/dbraw/zinc/91/14/05/397911405.db2.gz PUVXNAKOQUIRLR-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO CN1C[C@H]2[C@@H](CC[N@@H+]2C[C@H]2CCCN2C)C1 ZINC000649616237 397998000 /nfs/dbraw/zinc/99/80/00/397998000.db2.gz GUJARTOPKBMCGI-XQQFMLRXSA-N 1 3 223.364 0.717 20 0 BCADHO CN1C[C@H]2[C@@H](CC[N@H+]2C[C@H]2CCCN2C)C1 ZINC000649616237 397998002 /nfs/dbraw/zinc/99/80/02/397998002.db2.gz GUJARTOPKBMCGI-XQQFMLRXSA-N 1 3 223.364 0.717 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000372909970 398007565 /nfs/dbraw/zinc/00/75/65/398007565.db2.gz HWLGOJFLKYKOFL-GRYCIOLGSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953111 398010021 /nfs/dbraw/zinc/01/00/21/398010021.db2.gz BUIXWNYACCSGJX-KOLCDFICSA-N 1 3 225.336 0.324 20 0 BCADHO CN(C(=O)CCCC[NH3+])[C@@H]1CN2CCC1CC2 ZINC000383861228 398046708 /nfs/dbraw/zinc/04/67/08/398046708.db2.gz YXHSJPGYZNQPID-GFCCVEGCSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000637845693 398029764 /nfs/dbraw/zinc/02/97/64/398029764.db2.gz BSMXBUSCZDHXPX-WDEREUQCSA-N 1 3 229.368 0.849 20 0 BCADHO C[NH2+]CCCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000383791543 398040607 /nfs/dbraw/zinc/04/06/07/398040607.db2.gz LWLLKZOUWJTTRA-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@H](N)C(=O)NC1CC[NH+](CC)CC1 ZINC000038098299 397978905 /nfs/dbraw/zinc/97/89/05/397978905.db2.gz URPFCTFQAAZZFD-JTQLQIEISA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638048387 398066810 /nfs/dbraw/zinc/06/68/10/398066810.db2.gz OETKGIRHAMEJMW-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@H](C)C[NH2+]C ZINC000236939812 398118495 /nfs/dbraw/zinc/11/84/95/398118495.db2.gz KQJBUGZYMYKUAD-BBBLOLIVSA-N 1 3 215.341 0.332 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638567634 398131323 /nfs/dbraw/zinc/13/13/23/398131323.db2.gz PZFIGHVQRSWSJG-YTWAJWBKSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)NC(=O)CN(C)CC1CC[NH2+]CC1 ZINC000043497713 167047567 /nfs/dbraw/zinc/04/75/67/167047567.db2.gz BFXZPWWBCFNVOM-UHFFFAOYSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)NC(=O)CN(C)CCC1CC[NH2+]CC1 ZINC000042607983 167047708 /nfs/dbraw/zinc/04/77/08/167047708.db2.gz ZXMRVCBTGZXVJP-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO CNCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000082544478 173346081 /nfs/dbraw/zinc/34/60/81/173346081.db2.gz BJBATGBHKMQRQB-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CNCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000082544478 173346083 /nfs/dbraw/zinc/34/60/83/173346083.db2.gz BJBATGBHKMQRQB-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO C[NH2+]CCCN1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438678 173347356 /nfs/dbraw/zinc/34/73/56/173347356.db2.gz XQRVOPHSFSWGFJ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438678 173347358 /nfs/dbraw/zinc/34/73/58/173347358.db2.gz XQRVOPHSFSWGFJ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CNCCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000042438678 173347360 /nfs/dbraw/zinc/34/73/60/173347360.db2.gz XQRVOPHSFSWGFJ-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)NC(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000082475017 167052975 /nfs/dbraw/zinc/05/29/75/167052975.db2.gz XPIJFBWLNJRVDE-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCC(NC(=O)CC2([NH3+])CCC2)CC1 ZINC000086853228 487570182 /nfs/dbraw/zinc/57/01/82/487570182.db2.gz OAVBVPPPRNRMNR-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157800422 487578664 /nfs/dbraw/zinc/57/86/64/487578664.db2.gz RXSKOXKTZIQRGW-NWDGAFQWSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157800422 487578669 /nfs/dbraw/zinc/57/86/69/487578669.db2.gz RXSKOXKTZIQRGW-NWDGAFQWSA-N 1 3 237.347 0.481 20 0 BCADHO CC(C)OC[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000337340429 167263045 /nfs/dbraw/zinc/26/30/45/167263045.db2.gz PJHUZFDPPBIIAB-LBPRGKRZSA-N 1 3 244.379 0.846 20 0 BCADHO C[C@@H]1CCCN(C[C@@H]2CNCCO2)[C@H]1C[NH3+] ZINC000662244081 409534013 /nfs/dbraw/zinc/53/40/13/409534013.db2.gz GKXOKXLLQCJRHM-WOPDTQHZSA-N 1 3 227.352 0.034 20 0 BCADHO C[NH2+][C@H]1CCCN(C[C@H]2CCC3(CNC3)O2)C1 ZINC000662246108 409541997 /nfs/dbraw/zinc/54/19/97/409541997.db2.gz PFGZRNAQTUOFMW-NWDGAFQWSA-N 1 3 239.363 0.191 20 0 BCADHO c1ccc2c(c1)C[NH2+]CCN2C[C@@H]1CNCCO1 ZINC000662247744 409548880 /nfs/dbraw/zinc/54/88/80/409548880.db2.gz ZRRXVFYQTVGEKV-ZDUSSCGKSA-N 1 3 247.342 0.585 20 0 BCADHO CC(C)CCOCC[NH2+]C1(CO)CCNCC1 ZINC000662286514 409619114 /nfs/dbraw/zinc/61/91/14/409619114.db2.gz JBHFGTMZUZMVJL-UHFFFAOYSA-N 1 3 244.379 0.753 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000662315970 409637072 /nfs/dbraw/zinc/63/70/72/409637072.db2.gz RWBDBSOIBRBVGO-SRVKXCTJSA-N 1 3 222.332 0.849 20 0 BCADHO C([C@@H]1CCC2(CNC2)O1)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000662315970 409637078 /nfs/dbraw/zinc/63/70/78/409637078.db2.gz RWBDBSOIBRBVGO-SRVKXCTJSA-N 1 3 222.332 0.849 20 0 BCADHO CO[C@H](C[N@H+](C)C[C@H](O)CN)C1CCCC1 ZINC000662277215 409589371 /nfs/dbraw/zinc/58/93/71/409589371.db2.gz NHELYNMRTXRVDH-VXGBXAGGSA-N 1 3 230.352 0.443 20 0 BCADHO CO[C@H](C[N@@H+](C)C[C@H](O)CN)C1CCCC1 ZINC000662277215 409589378 /nfs/dbraw/zinc/58/93/78/409589378.db2.gz NHELYNMRTXRVDH-VXGBXAGGSA-N 1 3 230.352 0.443 20 0 BCADHO [NH3+][C@@H]1Cc2ccccc2N(C[C@@H]2CNCCO2)C1 ZINC000662280532 409600230 /nfs/dbraw/zinc/60/02/30/409600230.db2.gz DUYLACCPTZNSAJ-OLZOCXBDSA-N 1 3 247.342 0.365 20 0 BCADHO COC[C@H](CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)OC ZINC000662283079 409607546 /nfs/dbraw/zinc/60/75/46/409607546.db2.gz KJJLTYBDXCKJIM-VOAKCMCISA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C)OC ZINC000662283079 409607549 /nfs/dbraw/zinc/60/75/49/409607549.db2.gz KJJLTYBDXCKJIM-VOAKCMCISA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C)OC ZINC000662283079 409607558 /nfs/dbraw/zinc/60/75/58/409607558.db2.gz KJJLTYBDXCKJIM-VOAKCMCISA-N 1 3 244.379 0.953 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655247078 409717958 /nfs/dbraw/zinc/71/79/58/409717958.db2.gz RMWCXGNHENURPC-TXEJJXNPSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2CCC[NH2+]CC2)[C@H]1C ZINC000653135751 409854928 /nfs/dbraw/zinc/85/49/28/409854928.db2.gz OSIRMDWUWFOSHU-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H](C)C[NH3+] ZINC000662692719 409841322 /nfs/dbraw/zinc/84/13/22/409841322.db2.gz FYPHDAUGKJLJDN-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CCN(C(C)(C)C)C1)[C@H](C)[NH3+] ZINC000662619707 409790264 /nfs/dbraw/zinc/79/02/64/409790264.db2.gz NTZPUKMUPLZWRQ-VWYCJHECSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662623655 409795713 /nfs/dbraw/zinc/79/57/13/409795713.db2.gz ZOGIWTWRAARMEV-GHMZBOCLSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662784763 409916414 /nfs/dbraw/zinc/91/64/14/409916414.db2.gz WZSWJHHKWXZNNL-VIFPVBQESA-N 1 3 225.336 0.502 20 0 BCADHO [NH3+]C1(CC(=O)Nc2cnc3c(c2)CNCC3)CC1 ZINC000662765415 409887701 /nfs/dbraw/zinc/88/77/01/409887701.db2.gz ZQUPWYUMEJNYJG-UHFFFAOYSA-N 1 3 246.314 0.547 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1cccc2c1CCNC2 ZINC000662767817 409890853 /nfs/dbraw/zinc/89/08/53/409890853.db2.gz ZIGBYTPQDFXHKZ-SECBINFHSA-N 1 3 233.315 0.409 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662839443 409948530 /nfs/dbraw/zinc/94/85/30/409948530.db2.gz QPRWLDURWSQYMO-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662839443 409948536 /nfs/dbraw/zinc/94/85/36/409948536.db2.gz QPRWLDURWSQYMO-TUAOUCFPSA-N 1 3 239.363 0.857 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662968871 409998582 /nfs/dbraw/zinc/99/85/82/409998582.db2.gz KUMRKSPFPPRDJV-MFKMUULPSA-N 1 3 247.342 0.945 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CNCc2ccccc21 ZINC000662968451 409999055 /nfs/dbraw/zinc/99/90/55/409999055.db2.gz HWQQVSQMNLFYIU-ZWNOBZJWSA-N 1 3 247.342 0.598 20 0 BCADHO CC[C@H](N)C(=O)NCCC[N@H+](C)CC(C)C ZINC000653176266 410151714 /nfs/dbraw/zinc/15/17/14/410151714.db2.gz OFJPOWDJAHSGJI-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](N)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000653176266 410151720 /nfs/dbraw/zinc/15/17/20/410151720.db2.gz OFJPOWDJAHSGJI-NSHDSACASA-N 1 3 229.368 0.818 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)C1(N)CCC1 ZINC000653176353 410152562 /nfs/dbraw/zinc/15/25/62/410152562.db2.gz RBNWUZGNESYLAL-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)C1(N)CCC1 ZINC000653176353 410152570 /nfs/dbraw/zinc/15/25/70/410152570.db2.gz RBNWUZGNESYLAL-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCCNCC1 ZINC000655411699 410214983 /nfs/dbraw/zinc/21/49/83/410214983.db2.gz HLFFFLDBIXGEKI-DGCLKSJQSA-N 1 3 237.347 0.198 20 0 BCADHO C[NH2+]Cc1ccccc1CNC(=O)C(C)(C)N ZINC000653210557 410164842 /nfs/dbraw/zinc/16/48/42/410164842.db2.gz ATEYVUZKQITCOJ-UHFFFAOYSA-N 1 3 235.331 0.760 20 0 BCADHO CC(C)[C@H](C(=O)NCCC1(C[NH3+])CC1)N(C)C ZINC000653221242 410168613 /nfs/dbraw/zinc/16/86/13/410168613.db2.gz OLWQQUAZONZQHF-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653232801 410175272 /nfs/dbraw/zinc/17/52/72/410175272.db2.gz JWCVZVQRSFTVBU-OUAUKWLOSA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000653240095 410181749 /nfs/dbraw/zinc/18/17/49/410181749.db2.gz JWCVZVQRSFTVBU-GMTAPVOTSA-N 1 3 227.352 0.700 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@H]1CN ZINC000650714653 410347248 /nfs/dbraw/zinc/34/72/48/410347248.db2.gz WTVMWMWIXYPZMX-DDHJBXDOSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@H]2C[C@H]2C)C[C@H]1CN ZINC000650714653 410347256 /nfs/dbraw/zinc/34/72/56/410347256.db2.gz WTVMWMWIXYPZMX-DDHJBXDOSA-N 1 3 212.337 0.938 20 0 BCADHO CCO[C@@H]1CN(C[C@H]2C[C@H]2C)C[C@H]1C[NH3+] ZINC000650714653 410347261 /nfs/dbraw/zinc/34/72/61/410347261.db2.gz WTVMWMWIXYPZMX-DDHJBXDOSA-N 1 3 212.337 0.938 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653266641 410305848 /nfs/dbraw/zinc/30/58/48/410305848.db2.gz CTLIAIWNUVQBET-LLVKDONJSA-N 1 3 227.352 0.476 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653267991 410319079 /nfs/dbraw/zinc/31/90/79/410319079.db2.gz ZBCHFGBVNONAOA-PWSUYJOCSA-N 1 3 241.379 0.866 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743631 410376739 /nfs/dbraw/zinc/37/67/39/410376739.db2.gz XZRNURBBYMQLGV-MMWGEVLESA-N 1 3 225.336 0.357 20 0 BCADHO C[C@@H]1CCNCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650742908 410376756 /nfs/dbraw/zinc/37/67/56/410376756.db2.gz HVHGGWZCTSUZIM-CHWFTXMASA-N 1 3 225.336 0.228 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000650743632 410378179 /nfs/dbraw/zinc/37/81/79/410378179.db2.gz XZRNURBBYMQLGV-UKKRHICBSA-N 1 3 225.336 0.357 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCC2)CCN1C ZINC000132971231 410433258 /nfs/dbraw/zinc/43/32/58/410433258.db2.gz HQYFURLOBGHIJY-GHMZBOCLSA-N 1 3 239.363 0.857 20 0 BCADHO C[C@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CCN1C ZINC000132939710 410433306 /nfs/dbraw/zinc/43/33/06/410433306.db2.gz ZSVOJCIHJKFJLB-VHSXEESVSA-N 1 3 227.352 0.713 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272435 410540004 /nfs/dbraw/zinc/54/00/04/410540004.db2.gz NLEUDZDWBPLQII-LLVKDONJSA-N 1 3 239.363 0.490 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272436 410540666 /nfs/dbraw/zinc/54/06/66/410540666.db2.gz NLEUDZDWBPLQII-NSHDSACASA-N 1 3 239.363 0.490 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(N)CCCC1 ZINC000665248839 410731708 /nfs/dbraw/zinc/73/17/08/410731708.db2.gz DGASLIZPQNULPE-QWRGUYRKSA-N 1 3 211.353 0.798 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1NCC1([NH3+])CCCC1 ZINC000665248839 410731712 /nfs/dbraw/zinc/73/17/12/410731712.db2.gz DGASLIZPQNULPE-QWRGUYRKSA-N 1 3 211.353 0.798 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396460145 410886015 /nfs/dbraw/zinc/88/60/15/410886015.db2.gz MEMYSBPDXQQOKJ-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO CNCC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396434651 410881928 /nfs/dbraw/zinc/88/19/28/410881928.db2.gz LGYNNVMWQYZPTD-SECBINFHSA-N 1 3 213.325 0.052 20 0 BCADHO CC[C@H](N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396428603 410883294 /nfs/dbraw/zinc/88/32/94/410883294.db2.gz CRZBWJTVZVIHLP-KOLCDFICSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396428602 410883626 /nfs/dbraw/zinc/88/36/26/410883626.db2.gz CRZBWJTVZVIHLP-GXSJLCMTSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)C1CC1)N(C)C ZINC000358563603 167342036 /nfs/dbraw/zinc/34/20/36/167342036.db2.gz IKILNJKSSPECNH-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CC1)N(C)C ZINC000358563603 167342039 /nfs/dbraw/zinc/34/20/39/167342039.db2.gz IKILNJKSSPECNH-LBPRGKRZSA-N 1 3 241.379 0.783 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH+](C)C)N(C)C ZINC000341255087 167343082 /nfs/dbraw/zinc/34/30/82/167343082.db2.gz GTPPDMSJMVXDFG-RYUDHWBXSA-N 1 3 243.395 0.887 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)N(C)C ZINC000137433501 167343085 /nfs/dbraw/zinc/34/30/85/167343085.db2.gz QZKWBWZCAAFRNR-QWRGUYRKSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH3+])N(C)C ZINC000336692916 167344837 /nfs/dbraw/zinc/34/48/37/167344837.db2.gz XGQZTVJNWWYAQI-IUCAKERBSA-N 1 3 201.314 0.036 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1CN(C)C ZINC000061644079 167395006 /nfs/dbraw/zinc/39/50/06/167395006.db2.gz OBVFOPDFXFLNJC-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@@H]1CN(C(=O)C(C)(C)N)CC[C@@H]1[NH3+] ZINC000309382803 410928228 /nfs/dbraw/zinc/92/82/28/410928228.db2.gz DNMIBPWVBBIHMA-BDAKNGLRSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000309566671 410961190 /nfs/dbraw/zinc/96/11/90/410961190.db2.gz QWRCMRKVGOUVKE-MRVPVSSYSA-N 1 3 211.309 0.077 20 0 BCADHO COC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000300046076 411078837 /nfs/dbraw/zinc/07/88/37/411078837.db2.gz UDSSFFXUTSTPSU-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CCC([NH3+])CC1 ZINC000309399035 411163001 /nfs/dbraw/zinc/16/30/01/411163001.db2.gz HCSRUPPYXZJHGV-LLVKDONJSA-N 1 3 213.325 0.454 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309397139 411163203 /nfs/dbraw/zinc/16/32/03/411163203.db2.gz GSDSQRMFABLDNI-KOLCDFICSA-N 1 3 213.325 0.311 20 0 BCADHO COC[C@H](C)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000045706765 411148542 /nfs/dbraw/zinc/14/85/42/411148542.db2.gz CZCLMYYWEKXIQA-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@@H+]1CC[C@H](N)[C@H](C)C1 ZINC000045706765 411148543 /nfs/dbraw/zinc/14/85/43/411148543.db2.gz CZCLMYYWEKXIQA-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO COC[C@H](C)C[N@H+]1CC[C@H](N)[C@H](C)C1 ZINC000045706765 411148544 /nfs/dbraw/zinc/14/85/44/411148544.db2.gz CZCLMYYWEKXIQA-MXWKQRLJSA-N 1 3 200.326 0.938 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655504553 411115424 /nfs/dbraw/zinc/11/54/24/411115424.db2.gz FHHOFDQWTAXZIB-XPUUQOCRSA-N 1 3 241.257 0.510 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N(C)CCN1CCCCC1 ZINC000652218179 411173010 /nfs/dbraw/zinc/17/30/10/411173010.db2.gz ZYLPSFFDGOPDFI-NSHDSACASA-N 1 3 242.367 0.461 20 0 BCADHO CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000061645004 411174325 /nfs/dbraw/zinc/17/43/25/411174325.db2.gz WGUFBZFUDPGQMW-WDEREUQCSA-N 1 3 225.336 0.291 20 0 BCADHO CN(C(=O)C1([NH3+])CCCC1)C1CCN(C)CC1 ZINC000048218414 411180309 /nfs/dbraw/zinc/18/03/09/411180309.db2.gz RKZRTMCMSZJXQL-UHFFFAOYSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@H]([NH3+])CC(=O)N(C)C1CCN(C)CC1 ZINC000048215294 411180959 /nfs/dbraw/zinc/18/09/59/411180959.db2.gz LEHBGQWFJRUYGY-VIFPVBQESA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H](C[NH2+]C[C@H]1C[C@@H](N(C)C)C1)S(C)(=O)=O ZINC000656153764 411188612 /nfs/dbraw/zinc/18/86/12/411188612.db2.gz MUDBPTWCMVDDDK-GARJFASQSA-N 1 3 248.392 0.349 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+]C[C@H](C)CN(C)C ZINC000658017916 411198644 /nfs/dbraw/zinc/19/86/44/411198644.db2.gz MBNSKQCVVKCFHA-WDEREUQCSA-N 1 3 225.340 0.454 20 0 BCADHO C[C@H](Cn1cncn1)NC[C@H](C)C[NH+](C)C ZINC000658017916 411198647 /nfs/dbraw/zinc/19/86/47/411198647.db2.gz MBNSKQCVVKCFHA-WDEREUQCSA-N 1 3 225.340 0.454 20 0 BCADHO Cn1nnc2c1CC[C@@H](N[C@H]1CCC[NH2+]CC1)C2 ZINC000656193819 411199659 /nfs/dbraw/zinc/19/96/59/411199659.db2.gz UMEJQJMFAXWYFD-WDEREUQCSA-N 1 3 249.362 0.404 20 0 BCADHO Cn1nnc2c1CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000656193294 411200875 /nfs/dbraw/zinc/20/08/75/411200875.db2.gz FFPVIWYPLLDEHT-DCAQKATOSA-N 1 3 249.362 0.532 20 0 BCADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000656199095 411202174 /nfs/dbraw/zinc/20/21/74/411202174.db2.gz LIZACRJKAWNGBG-FDYHWXHSSA-N 1 3 242.363 0.897 20 0 BCADHO C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000656196677 411202316 /nfs/dbraw/zinc/20/23/16/411202316.db2.gz OBIVFTTVUFTPIB-NSHDSACASA-N 1 3 244.383 0.530 20 0 BCADHO COCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CC1 ZINC000656199712 411204473 /nfs/dbraw/zinc/20/44/73/411204473.db2.gz BIYHVEQQMHKSGQ-GRYCIOLGSA-N 1 3 242.363 0.755 20 0 BCADHO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000656200033 411204568 /nfs/dbraw/zinc/20/45/68/411204568.db2.gz DUEFXVLWASTMMU-KYXWUPHJSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000656200033 411204572 /nfs/dbraw/zinc/20/45/72/411204572.db2.gz DUEFXVLWASTMMU-KYXWUPHJSA-N 1 3 211.309 0.110 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCc2c(nnn2C)C1 ZINC000656200257 411204959 /nfs/dbraw/zinc/20/49/59/411204959.db2.gz KNLFDRZOKLHFKW-IVZWLZJFSA-N 1 3 237.351 0.388 20 0 BCADHO C[C@H](C[C@H](C)N)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000656200257 411204963 /nfs/dbraw/zinc/20/49/63/411204963.db2.gz KNLFDRZOKLHFKW-IVZWLZJFSA-N 1 3 237.351 0.388 20 0 BCADHO CC(C)C[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000310217770 411224605 /nfs/dbraw/zinc/22/46/05/411224605.db2.gz FKTUCLGDWAUPAH-WCQYABFASA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)C[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310217770 411224607 /nfs/dbraw/zinc/22/46/07/411224607.db2.gz FKTUCLGDWAUPAH-WCQYABFASA-N 1 3 244.379 0.438 20 0 BCADHO CO[C@](C)(CO)CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000655785313 411226822 /nfs/dbraw/zinc/22/68/22/411226822.db2.gz LCYKFCIEQAMUJT-UTUOFQBUSA-N 1 3 230.352 0.456 20 0 BCADHO CO[C@](C)(CO)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000655785313 411226826 /nfs/dbraw/zinc/22/68/26/411226826.db2.gz LCYKFCIEQAMUJT-UTUOFQBUSA-N 1 3 230.352 0.456 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC(C)(C)C[NH3+])C1 ZINC000659611188 411232401 /nfs/dbraw/zinc/23/24/01/411232401.db2.gz QLOQPJTZCJKRIY-JTQLQIEISA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)CNC1CC1 ZINC000049559750 411240262 /nfs/dbraw/zinc/24/02/62/411240262.db2.gz GOPBYVNAHXYAEP-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)NC ZINC000396730593 411240747 /nfs/dbraw/zinc/24/07/47/411240747.db2.gz DNYMCBXLRSWARC-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO CC1(C)CN(CCN2CC[NH2+]CC2)CCCO1 ZINC000310551082 411242092 /nfs/dbraw/zinc/24/20/92/411242092.db2.gz GKYNDZJTTOPGBC-UHFFFAOYSA-N 1 3 241.379 0.393 20 0 BCADHO c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n[nH]1 ZINC000400958373 411166466 /nfs/dbraw/zinc/16/64/66/411166466.db2.gz IAQDIEQPOWKAHX-GMTAPVOTSA-N 1 3 220.320 0.887 20 0 BCADHO c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n[nH]1 ZINC000400958379 411166694 /nfs/dbraw/zinc/16/66/94/411166694.db2.gz IAQDIEQPOWKAHX-OUAUKWLOSA-N 1 3 220.320 0.887 20 0 BCADHO OC/C=C\CNC1CC[NH+](C2CC2)CC1 ZINC000658140230 411265132 /nfs/dbraw/zinc/26/51/32/411265132.db2.gz UOPMTGADBRJYDW-UPHRSURJSA-N 1 3 210.321 0.751 20 0 BCADHO CC(C)[C@@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656466222 411278751 /nfs/dbraw/zinc/27/87/51/411278751.db2.gz AHVKRGNYPFLSDB-GXSJLCMTSA-N 1 3 223.324 0.858 20 0 BCADHO CC[C@H](N)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467357 411279755 /nfs/dbraw/zinc/27/97/55/411279755.db2.gz OQOWWJQLJKSPBM-IUCAKERBSA-N 1 3 209.297 0.612 20 0 BCADHO C[C@@H]1CC[C@H](CN(C)CCN2CC[NH2+]CC2)O1 ZINC000129383124 411280541 /nfs/dbraw/zinc/28/05/41/411280541.db2.gz YUQYMVZRTCEESC-CHWSQXEVSA-N 1 3 241.379 0.391 20 0 BCADHO C[NH2+]CCCNC(=O)C1CCN(C)CC1 ZINC000428153452 411282209 /nfs/dbraw/zinc/28/22/09/411282209.db2.gz HKEHCEGRSVOIQT-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO C[C@@H]1CNC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000401691752 411286284 /nfs/dbraw/zinc/28/62/84/411286284.db2.gz HEDYZDHJWIIXIJ-WDEREUQCSA-N 1 3 208.309 0.471 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)NC(C)(C)CN(C)C ZINC000659643589 411293417 /nfs/dbraw/zinc/29/34/17/411293417.db2.gz SKWOYHDSASBITI-VIFPVBQESA-N 1 3 230.356 0.234 20 0 BCADHO CC(C)NCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000659302112 411294445 /nfs/dbraw/zinc/29/44/45/411294445.db2.gz GUILFNXDCLIUMS-GFCCVEGCSA-N 1 3 227.352 0.490 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766942 411309735 /nfs/dbraw/zinc/30/97/35/411309735.db2.gz HLSUSKYSHFYYSE-YNEHKIRRSA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661766942 411309737 /nfs/dbraw/zinc/30/97/37/411309737.db2.gz HLSUSKYSHFYYSE-YNEHKIRRSA-N 1 3 244.379 0.533 20 0 BCADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1NCC1(C)C ZINC000653444814 411255807 /nfs/dbraw/zinc/25/58/07/411255807.db2.gz PXMGLVMRRWRTLC-BBBLOLIVSA-N 1 3 225.336 0.323 20 0 BCADHO CC(C)N1CCC([NH2+]C/C=C\CO)CC1 ZINC000658132401 411256015 /nfs/dbraw/zinc/25/60/15/411256015.db2.gz LGLGEADGOCXJMB-ARJAWSKDSA-N 1 3 212.337 0.997 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658974006 411364918 /nfs/dbraw/zinc/36/49/18/411364918.db2.gz XXMZYPSQIVISFO-UTLUCORTSA-N 1 3 213.325 0.165 20 0 BCADHO CC[N@H+](C)C[C@H](O)CNC[C@@]1(C)CC1(F)F ZINC000656710566 411335970 /nfs/dbraw/zinc/33/59/70/411335970.db2.gz KAFOOKPBFRNRKS-NXEZZACHSA-N 1 3 236.306 0.934 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CNC[C@@]1(C)CC1(F)F ZINC000656710566 411335973 /nfs/dbraw/zinc/33/59/73/411335973.db2.gz KAFOOKPBFRNRKS-NXEZZACHSA-N 1 3 236.306 0.934 20 0 BCADHO CC1(CNC(=O)C2(N)CCC2)CC[NH2+]CC1 ZINC000335456387 168028814 /nfs/dbraw/zinc/02/88/14/168028814.db2.gz MIQPBUCOOKCVSJ-UHFFFAOYSA-N 1 3 225.336 0.374 20 0 BCADHO CC1CCN(CC(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000335019281 168176964 /nfs/dbraw/zinc/17/69/64/168176964.db2.gz KSZPMBDZWNAPMU-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1CCC(C)CC1 ZINC000054343520 168181200 /nfs/dbraw/zinc/18/12/00/168181200.db2.gz NJUDTNLTCNRRIJ-NSHDSACASA-N 1 3 227.352 0.429 20 0 BCADHO CC1CCN(CCNC(=O)CCC[NH3+])CC1 ZINC000040772616 168181726 /nfs/dbraw/zinc/18/17/26/168181726.db2.gz DZZFLXJYVLCYME-UHFFFAOYSA-N 1 3 227.352 0.573 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCC(C)CC1 ZINC000040772661 168181880 /nfs/dbraw/zinc/18/18/80/168181880.db2.gz DLTISOWLGMGGFS-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](CNC(=O)CC[NH3+])N1CCC(C)CC1 ZINC000236626586 168186098 /nfs/dbraw/zinc/18/60/98/168186098.db2.gz HWPLHXMRKJPMDS-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO NC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC2(CCC2)C1 ZINC000659295674 411390271 /nfs/dbraw/zinc/39/02/71/411390271.db2.gz XYVGSFRQQNRYMD-JTQLQIEISA-N 1 3 237.347 0.516 20 0 BCADHO C[C@H]1CCCN(CCn2cncn2)[C@H]1CC[NH3+] ZINC000404413793 411395001 /nfs/dbraw/zinc/39/50/01/411395001.db2.gz ZPKQQIRBGZZKIB-RYUDHWBXSA-N 1 3 237.351 0.727 20 0 BCADHO C[C@@H]1CCCN(CCn2cncn2)[C@@H]1CC[NH3+] ZINC000404413796 411395536 /nfs/dbraw/zinc/39/55/36/411395536.db2.gz ZPKQQIRBGZZKIB-VXGBXAGGSA-N 1 3 237.351 0.727 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000309450428 411396628 /nfs/dbraw/zinc/39/66/28/411396628.db2.gz MJDIEIRMOXFILO-SNVBAGLBSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]CC(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659371251 411405487 /nfs/dbraw/zinc/40/54/87/411405487.db2.gz VLGCOCZKHGXSNX-LBPRGKRZSA-N 1 3 249.314 0.505 20 0 BCADHO C[C@H]([NH3+])C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659371593 411405588 /nfs/dbraw/zinc/40/55/88/411405588.db2.gz XFSFKEYVSHSFPC-JOYOIKCWSA-N 1 3 249.314 0.633 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653053834 411405970 /nfs/dbraw/zinc/40/59/70/411405970.db2.gz MXKHEXRYSTZGJA-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000659460320 411417384 /nfs/dbraw/zinc/41/73/84/411417384.db2.gz OAIJNDLMDOHOQH-GARJFASQSA-N 1 3 242.367 0.376 20 0 BCADHO CCCN1CC[C@H](NC(=O)NCC[NH2+]CC)C1 ZINC000659515459 411426260 /nfs/dbraw/zinc/42/62/60/411426260.db2.gz UJDHXQOTHHVWMT-NSHDSACASA-N 1 3 242.367 0.379 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC[C@H](C)C[NH3+])C1 ZINC000659525416 411427925 /nfs/dbraw/zinc/42/79/25/411427925.db2.gz GEAQCFRXBCFXTK-GHMZBOCLSA-N 1 3 242.367 0.365 20 0 BCADHO CC[NH2+]CCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659505839 411462960 /nfs/dbraw/zinc/46/29/60/411462960.db2.gz RLIUOCZDCUGVCU-NXEZZACHSA-N 1 3 246.330 0.067 20 0 BCADHO CCCN1CC[C@H](NC(=O)NC[C@H](C)[NH3+])C1 ZINC000659541086 411432451 /nfs/dbraw/zinc/43/24/51/411432451.db2.gz ZOJLCXDMIQTUSB-UWVGGRQHSA-N 1 3 228.340 0.117 20 0 BCADHO CC[N@H+](C)C[C@H](O)CNC1(C2CC2)CC1 ZINC000653614204 411441318 /nfs/dbraw/zinc/44/13/18/411441318.db2.gz SJHATKBRTRIGRU-LLVKDONJSA-N 1 3 212.337 0.831 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CNC1(C2CC2)CC1 ZINC000653614204 411441322 /nfs/dbraw/zinc/44/13/22/411441322.db2.gz SJHATKBRTRIGRU-LLVKDONJSA-N 1 3 212.337 0.831 20 0 BCADHO CCO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1CN ZINC000405836130 411442474 /nfs/dbraw/zinc/44/24/74/411442474.db2.gz CPIRZLKZGHWYMD-QJPTWQEYSA-N 1 3 228.336 0.319 20 0 BCADHO CCO[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1CN ZINC000405836130 411442477 /nfs/dbraw/zinc/44/24/77/411442477.db2.gz CPIRZLKZGHWYMD-QJPTWQEYSA-N 1 3 228.336 0.319 20 0 BCADHO CCO[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1C[NH3+] ZINC000405836130 411442479 /nfs/dbraw/zinc/44/24/79/411442479.db2.gz CPIRZLKZGHWYMD-QJPTWQEYSA-N 1 3 228.336 0.319 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)N1CCCNCC1 ZINC000659619938 411443271 /nfs/dbraw/zinc/44/32/71/411443271.db2.gz WGDNIBIIEWNWDB-LLVKDONJSA-N 1 3 242.367 0.365 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H]1CCCN1C ZINC000638536209 411472479 /nfs/dbraw/zinc/47/24/79/411472479.db2.gz HQTYLFSCPKIHEV-NXEZZACHSA-N 1 3 213.325 0.195 20 0 BCADHO CO[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCOC1 ZINC000659850349 411475478 /nfs/dbraw/zinc/47/54/78/411475478.db2.gz OKENFGSBLFIZHO-FVCCEPFGSA-N 1 3 240.347 0.189 20 0 BCADHO CC(C)(C)CN(CCO)C[C@H]1CC[NH2+]C1 ZINC000309484571 411499244 /nfs/dbraw/zinc/49/92/44/411499244.db2.gz FSXYODLXEAXJNU-NSHDSACASA-N 1 3 214.353 0.936 20 0 BCADHO CC[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@H+](C)C2)CO1 ZINC000657438032 411510445 /nfs/dbraw/zinc/51/04/45/411510445.db2.gz YPWIEMVJIAPBIR-UTUOFQBUSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@@H]1C[C@@H](NC[C@@]2(O)CC[N@@H+](C)C2)CO1 ZINC000657438032 411510446 /nfs/dbraw/zinc/51/04/46/411510446.db2.gz YPWIEMVJIAPBIR-UTUOFQBUSA-N 1 3 228.336 0.210 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000659991715 411521607 /nfs/dbraw/zinc/52/16/07/411521607.db2.gz ALDVQXGTHBQPNR-QWHCGFSZSA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000659991715 411521609 /nfs/dbraw/zinc/52/16/09/411521609.db2.gz ALDVQXGTHBQPNR-QWHCGFSZSA-N 1 3 244.379 0.390 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)COC)C1 ZINC000250361152 170009159 /nfs/dbraw/zinc/00/91/59/170009159.db2.gz UAJSUKJGWPIBRH-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)COC)C1 ZINC000250361152 170009160 /nfs/dbraw/zinc/00/91/60/170009160.db2.gz UAJSUKJGWPIBRH-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@H](C)COC)C1 ZINC000250361152 170009161 /nfs/dbraw/zinc/00/91/61/170009161.db2.gz UAJSUKJGWPIBRH-MNOVXSKESA-N 1 3 200.326 0.953 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)CC(=O)NC)C1 ZINC000309987101 170010004 /nfs/dbraw/zinc/01/00/04/170010004.db2.gz YUDCNVBFXCZKNR-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)CC(=O)NC)C1 ZINC000309987101 170010005 /nfs/dbraw/zinc/01/00/05/170010005.db2.gz YUDCNVBFXCZKNR-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@H](C)CC(=O)NC)C1 ZINC000309987101 170010006 /nfs/dbraw/zinc/01/00/06/170010006.db2.gz YUDCNVBFXCZKNR-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000336751570 170017419 /nfs/dbraw/zinc/01/74/19/170017419.db2.gz CIPUVJCXQGAHQB-XQQFMLRXSA-N 1 3 225.380 0.868 20 0 BCADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC)C[C@H]1C ZINC000354210331 170018298 /nfs/dbraw/zinc/01/82/98/170018298.db2.gz SJSDPWWKIKVJNN-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC)C[C@H]1C ZINC000354210331 170018299 /nfs/dbraw/zinc/01/82/99/170018299.db2.gz SJSDPWWKIKVJNN-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000335150625 170019628 /nfs/dbraw/zinc/01/96/28/170019628.db2.gz PBPOEQJBYLGKPQ-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000335150625 170019629 /nfs/dbraw/zinc/01/96/29/170019629.db2.gz PBPOEQJBYLGKPQ-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COCCO2)[C@@H](C)C1 ZINC000358224509 170020195 /nfs/dbraw/zinc/02/01/95/170020195.db2.gz QXQUBJFMKFFZSZ-XQQFMLRXSA-N 1 3 242.363 0.722 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H]2COCCO2)[C@@H](C)C1 ZINC000358224509 170020196 /nfs/dbraw/zinc/02/01/96/170020196.db2.gz QXQUBJFMKFFZSZ-XQQFMLRXSA-N 1 3 242.363 0.722 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH3+] ZINC000357246085 170023628 /nfs/dbraw/zinc/02/36/28/170023628.db2.gz XBPALCYQHITJET-UTUOFQBUSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH3+] ZINC000236848514 170024365 /nfs/dbraw/zinc/02/43/65/170024365.db2.gz KHRVXEKXQPHHII-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)Cc1ccccc1 ZINC000236947858 170114681 /nfs/dbraw/zinc/11/46/81/170114681.db2.gz CDEHZNJRHRIUNQ-GFCCVEGCSA-N 1 3 235.331 0.282 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H](N)[C@H](C)CC ZINC000236947921 170114893 /nfs/dbraw/zinc/11/48/93/170114893.db2.gz XLEVIHIPQZEZJL-RKDXNWHRSA-N 1 3 201.314 0.086 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CO ZINC000660281730 411564811 /nfs/dbraw/zinc/56/48/11/411564811.db2.gz ZTOMMINBJROYJY-OLZOCXBDSA-N 1 3 244.379 0.534 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CO ZINC000660281730 411564812 /nfs/dbraw/zinc/56/48/12/411564812.db2.gz ZTOMMINBJROYJY-OLZOCXBDSA-N 1 3 244.379 0.534 20 0 BCADHO CCOC1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000042277329 170332826 /nfs/dbraw/zinc/33/28/26/170332826.db2.gz DCANPKLZLPIACE-UHFFFAOYSA-N 1 3 241.379 0.393 20 0 BCADHO CCOCCN(CC)CCN1CC[NH2+]CC1 ZINC000082537240 170395003 /nfs/dbraw/zinc/39/50/03/170395003.db2.gz HMUVXMQOGNSZFG-UHFFFAOYSA-N 1 3 229.368 0.250 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657842077 411610681 /nfs/dbraw/zinc/61/06/81/411610681.db2.gz TUWHFBAHOBWZOI-NEPJUHHUSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)Cn2cncn2)C1 ZINC000657842077 411610682 /nfs/dbraw/zinc/61/06/82/411610682.db2.gz TUWHFBAHOBWZOI-NEPJUHHUSA-N 1 3 237.351 0.598 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@H](C)Cn2cncn2)C1 ZINC000657842077 411610683 /nfs/dbraw/zinc/61/06/83/411610683.db2.gz TUWHFBAHOBWZOI-NEPJUHHUSA-N 1 3 237.351 0.598 20 0 BCADHO C[C@H](C[NH3+])N(C)Cc1nc2c(s1)CNCC2 ZINC000663494981 411674883 /nfs/dbraw/zinc/67/48/83/411674883.db2.gz MKQXPUJZOMIKSY-MRVPVSSYSA-N 1 3 240.376 0.568 20 0 BCADHO C(C[C@@H]1CCOC1)[NH2+]CC12CC(C1)CN2 ZINC000663501880 411685997 /nfs/dbraw/zinc/68/59/97/411685997.db2.gz ZBLUCVQZSYLQPY-VOMCLLRMSA-N 1 3 210.321 0.755 20 0 BCADHO C[C@@]1(CN2CC[C@@H](F)[C@H](N)C2)CC[NH2+]C1 ZINC000663505516 411687878 /nfs/dbraw/zinc/68/78/78/411687878.db2.gz JOBGPIZMQGKJTM-GMTAPVOTSA-N 1 3 215.316 0.357 20 0 BCADHO C[NH2+]C[C@H](C)NCc1nc2c(s1)CNCC2 ZINC000663514669 411695447 /nfs/dbraw/zinc/69/54/47/411695447.db2.gz RYBUBWAWXJDDKZ-QMMMGPOBSA-N 1 3 240.376 0.486 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN[C@@H](CO)C1CCC1 ZINC000661151569 411720578 /nfs/dbraw/zinc/72/05/78/411720578.db2.gz DDEOTZJRSBVXGL-RYUDHWBXSA-N 1 3 230.352 0.050 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN[C@@H](CO)C1CCC1 ZINC000661151569 411720583 /nfs/dbraw/zinc/72/05/83/411720583.db2.gz DDEOTZJRSBVXGL-RYUDHWBXSA-N 1 3 230.352 0.050 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766692 411875321 /nfs/dbraw/zinc/87/53/21/411875321.db2.gz HLSUSKYSHFYYSE-JHJVBQTASA-N 1 3 244.379 0.533 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661766692 411875324 /nfs/dbraw/zinc/87/53/24/411875324.db2.gz HLSUSKYSHFYYSE-JHJVBQTASA-N 1 3 244.379 0.533 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN1C[C@H](C)[C@](C)(CO)C1 ZINC000662139785 412001916 /nfs/dbraw/zinc/00/19/16/412001916.db2.gz BTNPENVXZWDTHX-AVGNSLFASA-N 1 3 244.379 0.249 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)[C@](C)(CO)C1 ZINC000662139785 412001919 /nfs/dbraw/zinc/00/19/19/412001919.db2.gz BTNPENVXZWDTHX-AVGNSLFASA-N 1 3 244.379 0.249 20 0 BCADHO C[C@H](O)CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000662150105 412009910 /nfs/dbraw/zinc/00/99/10/412009910.db2.gz UDESQOJSHRDGSA-AAEUAGOBSA-N 1 3 242.363 0.288 20 0 BCADHO Nc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000647548091 411958479 /nfs/dbraw/zinc/95/84/79/411958479.db2.gz VBEPTOGIIBHLER-NSHDSACASA-N 1 3 232.331 0.896 20 0 BCADHO COC[C@H](C[N@@H+]1CCCC[C@@H]1[C@H](C)N)OC ZINC000662235795 412035511 /nfs/dbraw/zinc/03/55/11/412035511.db2.gz SVVGTPZYEFBBGG-SDDRHHMPSA-N 1 3 230.352 0.850 20 0 BCADHO COC[C@H](C[N@H+]1CCCC[C@@H]1[C@H](C)N)OC ZINC000662235795 412035514 /nfs/dbraw/zinc/03/55/14/412035514.db2.gz SVVGTPZYEFBBGG-SDDRHHMPSA-N 1 3 230.352 0.850 20 0 BCADHO [NH3+]C[C@H]1CCCCN1C[C@H]1CCC2(CNC2)O1 ZINC000662243705 412039619 /nfs/dbraw/zinc/03/96/19/412039619.db2.gz OXZNUPZQHXXMOK-VXGBXAGGSA-N 1 3 239.363 0.321 20 0 BCADHO COC[C@H](CN1CCC[C@@H]([C@H](C)[NH3+])C1)OC ZINC000662245078 412041600 /nfs/dbraw/zinc/04/16/00/412041600.db2.gz MYPDJRRCWGGQLT-TUAOUCFPSA-N 1 3 230.352 0.707 20 0 BCADHO COCCN(C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248948 412045917 /nfs/dbraw/zinc/04/59/17/412045917.db2.gz MFXSHFPHKPVIFI-SNVBAGLBSA-N 1 3 214.309 0.086 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C[C@@H]1CNCCO1 ZINC000662248211 412047131 /nfs/dbraw/zinc/04/71/31/412047131.db2.gz WECZRLIOGLBJKE-NWDGAFQWSA-N 1 3 229.368 0.280 20 0 BCADHO CC[N@H+](CCCO)C[C@@H]1CCC2(CNC2)O1 ZINC000662256288 412051518 /nfs/dbraw/zinc/05/15/18/412051518.db2.gz KIRRKGFGAPJUTR-NSHDSACASA-N 1 3 228.336 0.212 20 0 BCADHO CC[N@@H+](CCCO)C[C@@H]1CCC2(CNC2)O1 ZINC000662256288 412051519 /nfs/dbraw/zinc/05/15/19/412051519.db2.gz KIRRKGFGAPJUTR-NSHDSACASA-N 1 3 228.336 0.212 20 0 BCADHO C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662259242 412053040 /nfs/dbraw/zinc/05/30/40/412053040.db2.gz SRJQMGODKALNDH-NEPJUHHUSA-N 1 3 240.347 0.476 20 0 BCADHO C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662259242 412053042 /nfs/dbraw/zinc/05/30/42/412053042.db2.gz SRJQMGODKALNDH-NEPJUHHUSA-N 1 3 240.347 0.476 20 0 BCADHO C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662259244 412053791 /nfs/dbraw/zinc/05/37/91/412053791.db2.gz SRJQMGODKALNDH-RYUDHWBXSA-N 1 3 240.347 0.476 20 0 BCADHO C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662259244 412053793 /nfs/dbraw/zinc/05/37/93/412053793.db2.gz SRJQMGODKALNDH-RYUDHWBXSA-N 1 3 240.347 0.476 20 0 BCADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC ZINC000249626302 171100566 /nfs/dbraw/zinc/10/05/66/171100566.db2.gz UCHSGKKDRQIREP-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC ZINC000249626302 171100568 /nfs/dbraw/zinc/10/05/68/171100568.db2.gz UCHSGKKDRQIREP-MNOVXSKESA-N 1 3 225.336 0.291 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C[C@H]1CNCCO1 ZINC000662273200 412065906 /nfs/dbraw/zinc/06/59/06/412065906.db2.gz MVYSXCMIHGZKLS-NWDGAFQWSA-N 1 3 227.352 0.178 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)CC ZINC000353513202 171145956 /nfs/dbraw/zinc/14/59/56/171145956.db2.gz KRIJDTBLTZJGFI-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CO[C@H](C[N@H+](C)C[C@@H](O)CN)C1CCCCC1 ZINC000662276904 412068766 /nfs/dbraw/zinc/06/87/66/412068766.db2.gz NDEVHCMDURRTPB-QWHCGFSZSA-N 1 3 244.379 0.833 20 0 BCADHO CO[C@H](C[N@@H+](C)C[C@@H](O)CN)C1CCCCC1 ZINC000662276904 412068768 /nfs/dbraw/zinc/06/87/68/412068768.db2.gz NDEVHCMDURRTPB-QWHCGFSZSA-N 1 3 244.379 0.833 20 0 BCADHO C([C@H]1CNCCO1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000662277570 412069040 /nfs/dbraw/zinc/06/90/40/412069040.db2.gz QFSVZJXDXLPINB-CHWSQXEVSA-N 1 3 239.363 0.050 20 0 BCADHO CC[C@@](C)([NH2+]CC[C@H]1CCCN1C)C(N)=O ZINC000309843564 171175169 /nfs/dbraw/zinc/17/51/69/171175169.db2.gz FIYJHYBVUWFGMK-ZYHUDNBSSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](O)C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285169 412076876 /nfs/dbraw/zinc/07/68/76/412076876.db2.gz YMWBPXUKUIJUJC-ZYHUDNBSSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@@H](O)C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662285169 412076881 /nfs/dbraw/zinc/07/68/81/412076881.db2.gz YMWBPXUKUIJUJC-ZYHUDNBSSA-N 1 3 240.347 0.353 20 0 BCADHO OCC1(NCC[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000662284954 412077623 /nfs/dbraw/zinc/07/76/23/412077623.db2.gz SCKXHXZRFNBORD-LBPRGKRZSA-N 1 3 242.363 0.650 20 0 BCADHO CC[C@H](C(=O)NCC[N@H+](C)CCOC)N(C)C ZINC000125093970 171228541 /nfs/dbraw/zinc/22/85/41/171228541.db2.gz DMSOCBQREOQBHX-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO CC[C@H](C(=O)NCC[N@@H+](C)CCOC)N(C)C ZINC000125093970 171228543 /nfs/dbraw/zinc/22/85/43/171228543.db2.gz DMSOCBQREOQBHX-LLVKDONJSA-N 1 3 245.367 0.021 20 0 BCADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CNCCO2)C[C@H]1C[NH3+] ZINC000662282402 412073331 /nfs/dbraw/zinc/07/33/31/412073331.db2.gz HEZBNYMWEDDTTK-XQHKEYJVSA-N 1 3 241.379 0.280 20 0 BCADHO OCC1CC[NH+](C[C@@H]2CCC3(CNC3)O2)CC1 ZINC000662282903 412076071 /nfs/dbraw/zinc/07/60/71/412076071.db2.gz DFLKWGQMWMCIKP-LBPRGKRZSA-N 1 3 240.347 0.212 20 0 BCADHO C[C@@H]1CC[C@@H](O)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662286920 412078422 /nfs/dbraw/zinc/07/84/22/412078422.db2.gz UANFPPHWAJGCSP-IJLUTSLNSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@@H]1CC[C@@H](O)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662286920 412078428 /nfs/dbraw/zinc/07/84/28/412078428.db2.gz UANFPPHWAJGCSP-IJLUTSLNSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@@H](C(N)=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291920 412080986 /nfs/dbraw/zinc/08/09/86/412080986.db2.gz ARPBGKGEYICAMS-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CNC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294547 412081665 /nfs/dbraw/zinc/08/16/65/412081665.db2.gz QRPNPGIUJCMVIC-LBPRGKRZSA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000124306335 171370549 /nfs/dbraw/zinc/37/05/49/171370549.db2.gz WLTYLKIQFYCTJX-LPEHRKFASA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368643903 171371318 /nfs/dbraw/zinc/37/13/18/171371318.db2.gz BPQCYDRJPUNHJE-AATLWQCWSA-N 1 3 231.315 0.176 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364775514 171371672 /nfs/dbraw/zinc/37/16/72/171371672.db2.gz HYPOGRBTDRMZEI-GARJFASQSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309798644 171371747 /nfs/dbraw/zinc/37/17/47/171371747.db2.gz QTBBJVDEXQJTRT-IVZWLZJFSA-N 1 3 215.341 0.459 20 0 BCADHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CCCCC1 ZINC000049575489 171371832 /nfs/dbraw/zinc/37/18/32/171371832.db2.gz KEQYWOFZUKXFKT-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366498283 171393874 /nfs/dbraw/zinc/39/38/74/171393874.db2.gz ROHDMNIEJQPXAV-QCNOEVLYSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000366498284 171394258 /nfs/dbraw/zinc/39/42/58/171394258.db2.gz ROHDMNIEJQPXAV-USZNOCQGSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000337523735 171394305 /nfs/dbraw/zinc/39/43/05/171394305.db2.gz WXLJHZZXUSHCID-VLEAKVRGSA-N 1 3 227.352 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643464 171395237 /nfs/dbraw/zinc/39/52/37/171395237.db2.gz XNDBNJDIBYVZHK-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643464 171395239 /nfs/dbraw/zinc/39/52/39/171395239.db2.gz XNDBNJDIBYVZHK-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000309004419 171395823 /nfs/dbraw/zinc/39/58/23/171395823.db2.gz PFIZNFTVLGIJMH-VGMNWLOBSA-N 1 3 201.314 0.071 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000309798643 171395860 /nfs/dbraw/zinc/39/58/60/171395860.db2.gz QTBBJVDEXQJTRT-GUBZILKMSA-N 1 3 215.341 0.459 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000040464040 171395942 /nfs/dbraw/zinc/39/59/42/171395942.db2.gz SFONRDQYIAQCBS-AXFHLTTASA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000040464040 171395943 /nfs/dbraw/zinc/39/59/43/171395943.db2.gz SFONRDQYIAQCBS-AXFHLTTASA-N 1 3 227.352 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000368210736 171396248 /nfs/dbraw/zinc/39/62/48/171396248.db2.gz DFXIQIIYFADJNW-DCAQKATOSA-N 1 3 239.363 0.618 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000364775513 171396771 /nfs/dbraw/zinc/39/67/71/171396771.db2.gz HYPOGRBTDRMZEI-DCAQKATOSA-N 1 3 227.352 0.618 20 0 BCADHO NCc1cccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662393118 412143161 /nfs/dbraw/zinc/14/31/61/412143161.db2.gz PAYKMAIFCDSJQI-RYUDHWBXSA-N 1 3 249.314 0.448 20 0 BCADHO [NH3+]CCOCCN1CCC[C@@H]2OCC[C@@H]21 ZINC000662299201 412086934 /nfs/dbraw/zinc/08/69/34/412086934.db2.gz VEHPBQTYEDKCFH-QWRGUYRKSA-N 1 3 214.309 0.215 20 0 BCADHO CCCCNC(=O)CC[N@@H+]1CC2CC1(CN)C2 ZINC000662304419 412088338 /nfs/dbraw/zinc/08/83/38/412088338.db2.gz RSRQILJZHDNFNW-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CCCCNC(=O)CC[N@H+]1CC2CC1(CN)C2 ZINC000662304419 412088341 /nfs/dbraw/zinc/08/83/41/412088341.db2.gz RSRQILJZHDNFNW-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316219 412093190 /nfs/dbraw/zinc/09/31/90/412093190.db2.gz XJJMBGCGENTCDZ-OLZOCXBDSA-N 1 3 242.363 0.459 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000662316219 412093192 /nfs/dbraw/zinc/09/31/92/412093192.db2.gz XJJMBGCGENTCDZ-OLZOCXBDSA-N 1 3 242.363 0.459 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CC[C@]2(C1)CCCOC2 ZINC000662316219 412093193 /nfs/dbraw/zinc/09/31/93/412093193.db2.gz XJJMBGCGENTCDZ-OLZOCXBDSA-N 1 3 242.363 0.459 20 0 BCADHO C[C@]12COC[C@@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000662311481 412094607 /nfs/dbraw/zinc/09/46/07/412094607.db2.gz SSNQIYHEVOJCFI-SRVKXCTJSA-N 1 3 210.321 0.564 20 0 BCADHO C[C@@H]1CCN(C[C@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000662314951 412095481 /nfs/dbraw/zinc/09/54/81/412095481.db2.gz IOMACMYHEAKEKZ-GRYCIOLGSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@@H]1CCN(C[C@@H]2CNCCO2)[C@H](C[NH3+])C1 ZINC000662314953 412095860 /nfs/dbraw/zinc/09/58/60/412095860.db2.gz IOMACMYHEAKEKZ-WOPDTQHZSA-N 1 3 227.352 0.034 20 0 BCADHO CCNC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662318116 412097780 /nfs/dbraw/zinc/09/77/80/412097780.db2.gz WHFFJAZGSAGWSG-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO [NH3+]CCCN1CC[C@@H](CN2CCCC2=O)C1 ZINC000662318200 412099111 /nfs/dbraw/zinc/09/91/11/412099111.db2.gz XLXOFDIUQBBOSX-LLVKDONJSA-N 1 3 225.336 0.280 20 0 BCADHO CC(C)NCC(=O)NCC1([NH3+])CCCCC1 ZINC000662392974 412143297 /nfs/dbraw/zinc/14/32/97/412143297.db2.gz KCFVVJCLKNIFNW-UHFFFAOYSA-N 1 3 227.352 0.762 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662338633 412108485 /nfs/dbraw/zinc/10/84/85/412108485.db2.gz NJFPMPOWAYQQTF-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662393212 412142836 /nfs/dbraw/zinc/14/28/36/412142836.db2.gz DCERGZXRUNUSKI-YPMHNXCESA-N 1 3 245.326 0.781 20 0 BCADHO COC[C@H](CC[NH2+][C@@H]1CCC[C@H]1CN)OC ZINC000665235488 412175083 /nfs/dbraw/zinc/17/50/83/412175083.db2.gz WRGBCGHJGZMBEI-SDDRHHMPSA-N 1 3 230.352 0.755 20 0 BCADHO COC[C@H](CCN[C@@H]1C[NH2+]CC[C@@H]1C)OC ZINC000665235317 412175170 /nfs/dbraw/zinc/17/51/70/412175170.db2.gz UEGXJWWYCAAKHZ-SDDRHHMPSA-N 1 3 230.352 0.626 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665245395 412189934 /nfs/dbraw/zinc/18/99/34/412189934.db2.gz HKHBKFNIGOXOLO-YVECIDJPSA-N 1 3 242.363 0.768 20 0 BCADHO CC(C)NCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000662521515 412204327 /nfs/dbraw/zinc/20/43/27/412204327.db2.gz QCHAQGFEJXSNNN-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@H]1CN(C(=O)[C@H](C)NC)CC[C@H]1[NH3+] ZINC000662556547 412215738 /nfs/dbraw/zinc/21/57/38/412215738.db2.gz AIBXZHDFDIFGKO-LPEHRKFASA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)N(C)C ZINC000662527807 412205340 /nfs/dbraw/zinc/20/53/40/412205340.db2.gz ZRSHLTKFBPWTCO-BDAKNGLRSA-N 1 3 201.314 0.051 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)N(C)C ZINC000662527808 412205524 /nfs/dbraw/zinc/20/55/24/412205524.db2.gz ZRSHLTKFBPWTCO-DTWKUNHWSA-N 1 3 201.314 0.051 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000662539919 412208486 /nfs/dbraw/zinc/20/84/86/412208486.db2.gz OAMDPZQLNAEEHS-SCVCMEIPSA-N 1 3 239.363 0.726 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000662397468 412145067 /nfs/dbraw/zinc/14/50/67/412145067.db2.gz FAOUMXDWLWXICG-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO [NH3+]CCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662394464 412145082 /nfs/dbraw/zinc/14/50/82/412145082.db2.gz WUFBKVRBPDMKCE-UHFFFAOYSA-N 1 3 239.344 0.472 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc2c1CNC2 ZINC000662395855 412146022 /nfs/dbraw/zinc/14/60/22/412146022.db2.gz QIEKHOQEGJOHGB-LLVKDONJSA-N 1 3 245.326 0.772 20 0 BCADHO O=C(N[C@H]1CC[NH2+]C1)c1cccc2c1CNC2 ZINC000662401203 412148438 /nfs/dbraw/zinc/14/84/38/412148438.db2.gz PPCRJEJIIWOLAR-JTQLQIEISA-N 1 3 231.299 0.382 20 0 BCADHO C[C@@H]1C[C@@H](NCCNc2cnccn2)CC[N@@H+]1C ZINC000361980184 412149475 /nfs/dbraw/zinc/14/94/75/412149475.db2.gz HZBRUZUAGDHFTP-NEPJUHHUSA-N 1 3 249.362 0.961 20 0 BCADHO C[C@@H]1C[C@@H](NCCNc2cnccn2)CC[N@H+]1C ZINC000361980184 412149479 /nfs/dbraw/zinc/14/94/79/412149479.db2.gz HZBRUZUAGDHFTP-NEPJUHHUSA-N 1 3 249.362 0.961 20 0 BCADHO N[C@H](CNC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000662412483 412155558 /nfs/dbraw/zinc/15/55/58/412155558.db2.gz GXDXYJSRQVCECI-IJLUTSLNSA-N 1 3 233.315 0.540 20 0 BCADHO C[NH2+]C1CCN(C(=O)CNC(C)C)CC1 ZINC000662415592 412156453 /nfs/dbraw/zinc/15/64/53/412156453.db2.gz HWIUCTRJGPMEDA-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](N)c1ccccc1 ZINC000662414220 412156649 /nfs/dbraw/zinc/15/66/49/412156649.db2.gz WRTFZVFPBNBYGI-RYUDHWBXSA-N 1 3 235.331 0.801 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)CNC(C)C)C1 ZINC000662413357 412157377 /nfs/dbraw/zinc/15/73/77/412157377.db2.gz FFUQZOTWXXFHGP-SNVBAGLBSA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H]1CN(C(=O)CC2([NH3+])CC2)C[C@@H](C)N1 ZINC000662415599 412157587 /nfs/dbraw/zinc/15/75/87/412157587.db2.gz IAIPPIQVRKGSNP-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000662418844 412160482 /nfs/dbraw/zinc/16/04/82/412160482.db2.gz CFIWCRUVAZDXSW-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000662420283 412161624 /nfs/dbraw/zinc/16/16/24/412161624.db2.gz SEXBVDATNWFZEW-LPEHRKFASA-N 1 3 213.325 0.180 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)CNC(C)C ZINC000662426018 412165026 /nfs/dbraw/zinc/16/50/26/412165026.db2.gz RBACDAKKJBZMAW-UHFFFAOYSA-N 1 3 215.341 0.618 20 0 BCADHO COC[C@@H](CC[NH2+][C@H](C)C1CNC1)OC ZINC000665234458 412174889 /nfs/dbraw/zinc/17/48/89/412174889.db2.gz DCFOJQUUZKBGQH-MWLCHTKSSA-N 1 3 216.325 0.235 20 0 BCADHO COC[C@@H](CCN[C@H](C)C1C[NH2+]C1)OC ZINC000665234458 412174893 /nfs/dbraw/zinc/17/48/93/412174893.db2.gz DCFOJQUUZKBGQH-MWLCHTKSSA-N 1 3 216.325 0.235 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCC1([NH3+])CCCC1 ZINC000662650242 412255982 /nfs/dbraw/zinc/25/59/82/412255982.db2.gz XOZYZIAUKCDWPI-SSDOTTSWSA-N 1 3 235.278 0.357 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC000662650289 412257678 /nfs/dbraw/zinc/25/76/78/412257678.db2.gz YPORSZXEHZLTIF-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1cnccn1 ZINC000576695265 412259493 /nfs/dbraw/zinc/25/94/93/412259493.db2.gz LWCBHDNHPRGHQL-NWDGAFQWSA-N 1 3 249.362 0.866 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662672876 412266049 /nfs/dbraw/zinc/26/60/49/412266049.db2.gz GIVNPVCCFRPLSB-XYPYZODXSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662714508 412281386 /nfs/dbraw/zinc/28/13/86/412281386.db2.gz IWSUGQBQVVRXMS-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)NCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000662556883 412216587 /nfs/dbraw/zinc/21/65/87/412216587.db2.gz WUCYTEUUAVGHDF-UWVGGRQHSA-N 1 3 213.325 0.371 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000662555200 412216660 /nfs/dbraw/zinc/21/66/60/412216660.db2.gz ZOOCQYWLLGDIFQ-UKKRHICBSA-N 1 3 225.336 0.180 20 0 BCADHO C[C@H]1C[C@@H](NCC23CC(C2)C[NH2+]3)CN1C1CC1 ZINC000665277518 412220879 /nfs/dbraw/zinc/22/08/79/412220879.db2.gz DFDRRKNGBCCXRT-WDBLDGLGSA-N 1 3 235.375 0.953 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662619173 412242150 /nfs/dbraw/zinc/24/21/50/412242150.db2.gz JEFUGNBSWIVMGN-VHSXEESVSA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619173 412242153 /nfs/dbraw/zinc/24/21/53/412242153.db2.gz JEFUGNBSWIVMGN-VHSXEESVSA-N 1 3 227.352 0.583 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619173 412242156 /nfs/dbraw/zinc/24/21/56/412242156.db2.gz JEFUGNBSWIVMGN-VHSXEESVSA-N 1 3 227.352 0.583 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662622307 412244326 /nfs/dbraw/zinc/24/43/26/412244326.db2.gz QKPUPFQIKBHSKI-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662622307 412244327 /nfs/dbraw/zinc/24/43/27/412244327.db2.gz QKPUPFQIKBHSKI-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662632324 412246005 /nfs/dbraw/zinc/24/60/05/412246005.db2.gz BZSZXKKHUYOPFZ-CMPLNLGQSA-N 1 3 229.368 0.960 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000662632326 412246088 /nfs/dbraw/zinc/24/60/88/412246088.db2.gz BZSZXKKHUYOPFZ-PWSUYJOCSA-N 1 3 229.368 0.960 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOCCF ZINC000665299603 412247606 /nfs/dbraw/zinc/24/76/06/412247606.db2.gz PZJKJMAWXNLGGT-WDEREUQCSA-N 1 3 218.316 0.950 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOCCF ZINC000665299354 412248297 /nfs/dbraw/zinc/24/82/97/412248297.db2.gz LJHXFUQWVORAIF-UWVGGRQHSA-N 1 3 204.289 0.690 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOCCF ZINC000665299354 412248298 /nfs/dbraw/zinc/24/82/98/412248298.db2.gz LJHXFUQWVORAIF-UWVGGRQHSA-N 1 3 204.289 0.690 20 0 BCADHO [NH3+]C[C@H]1CCC[C@H]1NCCOCCF ZINC000665299353 412248571 /nfs/dbraw/zinc/24/85/71/412248571.db2.gz LJHXFUQWVORAIF-NXEZZACHSA-N 1 3 204.289 0.690 20 0 BCADHO NC[C@H]1CCC[C@H]1[NH2+]CCOCCF ZINC000665299353 412248573 /nfs/dbraw/zinc/24/85/73/412248573.db2.gz LJHXFUQWVORAIF-NXEZZACHSA-N 1 3 204.289 0.690 20 0 BCADHO C[C@@H](CCNC(=O)C(N)C(F)(F)F)[NH+](C)C ZINC000662629602 412248720 /nfs/dbraw/zinc/24/87/20/412248720.db2.gz AKTRHFLYPRAYBB-BQBZGAKWSA-N 1 3 241.257 0.332 20 0 BCADHO C[C@H](CCNC(=O)C(C)(C)N)[NH+](C)C ZINC000662632358 412250007 /nfs/dbraw/zinc/25/00/07/412250007.db2.gz CNZOQROLSPMMBU-MRVPVSSYSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H](CCNC(=O)C1(N)CCC1)[NH+](C)C ZINC000662634326 412251072 /nfs/dbraw/zinc/25/10/72/412251072.db2.gz RDWZSACKFJEHKF-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[C@@H](N)c1ccccc1 ZINC000662639470 412253023 /nfs/dbraw/zinc/25/30/23/412253023.db2.gz BLYYWDKBJQXLNE-KGYLQXTDSA-N 1 3 247.342 0.801 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000662818123 412305879 /nfs/dbraw/zinc/30/58/79/412305879.db2.gz PIDAWODBENXVRB-ZNSHCXBVSA-N 1 3 227.352 0.426 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)CC2([NH3+])CC2)C1 ZINC000662817301 412309453 /nfs/dbraw/zinc/30/94/53/412309453.db2.gz VHHGHBRWNHNCFE-NSHDSACASA-N 1 3 245.326 0.784 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662837782 412316335 /nfs/dbraw/zinc/31/63/35/412316335.db2.gz KZICEJBNLOMQAC-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](N)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662837782 412316338 /nfs/dbraw/zinc/31/63/38/412316338.db2.gz KZICEJBNLOMQAC-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662835667 412316993 /nfs/dbraw/zinc/31/69/93/412316993.db2.gz RJFCXXIHBMZABX-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C1(NC2CC2)CCC1 ZINC000662845008 412319799 /nfs/dbraw/zinc/31/97/99/412319799.db2.gz JLDHMQNGGGPKGE-UHFFFAOYSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662864816 412330001 /nfs/dbraw/zinc/33/00/01/412330001.db2.gz HZWVOGBTGGTKDT-SECBINFHSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662876550 412333601 /nfs/dbraw/zinc/33/36/01/412333601.db2.gz ZWZASRFTZYNIQN-URAGZPLESA-N 1 3 237.347 0.324 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662911873 412343348 /nfs/dbraw/zinc/34/33/48/412343348.db2.gz WSKGXKWLRBOQEV-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000662925889 412347494 /nfs/dbraw/zinc/34/74/94/412347494.db2.gz DPLPCQTXZFKICM-TUAOUCFPSA-N 1 3 241.379 0.864 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C[NH2+]C ZINC000662954325 412353395 /nfs/dbraw/zinc/35/33/95/412353395.db2.gz UPMFZMJLTLRDBH-CIUDSAMLSA-N 1 3 201.314 0.084 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CC[C@@H](C)C1 ZINC000662746805 412290158 /nfs/dbraw/zinc/29/01/58/412290158.db2.gz RSCMTRZIJKAIEY-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662747812 412290253 /nfs/dbraw/zinc/29/02/53/412290253.db2.gz DKBFJIAKSBMZBM-NXEZZACHSA-N 1 3 231.315 0.272 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC[NH2+]1 ZINC000662748106 412290338 /nfs/dbraw/zinc/29/03/38/412290338.db2.gz LRSSVZUQIWDMNN-UKKRHICBSA-N 1 3 243.326 0.272 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662754337 412291611 /nfs/dbraw/zinc/29/16/11/412291611.db2.gz LASWGRCEEFISKT-GMOBBJLQSA-N 1 3 237.347 0.323 20 0 BCADHO C[C@@H]1CN(C(=O)CC2([NH3+])CC2)[C@H](C)CN1 ZINC000662764005 412294958 /nfs/dbraw/zinc/29/49/58/412294958.db2.gz HCLNZZJNDHHGJE-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](C[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000662766992 412296388 /nfs/dbraw/zinc/29/63/88/412296388.db2.gz PTEJYPIIQNJADK-MRVPVSSYSA-N 1 3 211.309 0.125 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2([NH3+])CC2)[C@H]1C ZINC000662771795 412296979 /nfs/dbraw/zinc/29/69/79/412296979.db2.gz ANFYPJKZMOKDDF-BDAKNGLRSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC1([NH3+])CC1 ZINC000662771797 412296995 /nfs/dbraw/zinc/29/69/95/412296995.db2.gz ANFYPJKZMOKDDF-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000662776696 412299210 /nfs/dbraw/zinc/29/92/10/412299210.db2.gz YPTOPQBHNCXHGS-GUBZILKMSA-N 1 3 213.325 0.193 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662778206 412299815 /nfs/dbraw/zinc/29/98/15/412299815.db2.gz FSGNGGCLRYCYCV-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO C[C@@H](NC(=O)c1cccc2c1CCNC2)[C@H](C)[NH3+] ZINC000662783476 412300766 /nfs/dbraw/zinc/30/07/66/412300766.db2.gz PISFBPSAJCPELI-VHSXEESVSA-N 1 3 247.342 0.798 20 0 BCADHO CCCN(C(=O)[C@H](N)CC)[C@@H]1CC[NH2+]C1 ZINC000309787597 487623200 /nfs/dbraw/zinc/62/32/00/487623200.db2.gz OMIJXRMNDDUHLV-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CN(C(=O)NC[C@H]1CCCN1C)C1CC([NH3+])C1 ZINC000333896876 172320231 /nfs/dbraw/zinc/32/02/31/172320231.db2.gz AWHRQLYQJFKOKD-HSOILSAZSA-N 1 3 240.351 0.212 20 0 BCADHO CN1CCC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000040673648 173021487 /nfs/dbraw/zinc/02/14/87/173021487.db2.gz DMQAXSAXUNVKPW-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000226393947 173029828 /nfs/dbraw/zinc/02/98/28/173029828.db2.gz QYAMNNVLVGAEPJ-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC(F)F ZINC000309221325 173030222 /nfs/dbraw/zinc/03/02/22/173030222.db2.gz YEAFOXKKCHNACM-HTQZYQBOSA-N 1 3 235.278 0.179 20 0 BCADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](N)CC(F)F ZINC000309221325 173030225 /nfs/dbraw/zinc/03/02/25/173030225.db2.gz YEAFOXKKCHNACM-HTQZYQBOSA-N 1 3 235.278 0.179 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333934972 173030989 /nfs/dbraw/zinc/03/09/89/173030989.db2.gz JAGRBYYSZLMISQ-GHMZBOCLSA-N 1 3 240.351 0.213 20 0 BCADHO CN1CC[C@@]2(CC[N@H+](CCOCCO)C2)C1 ZINC000368312606 173139878 /nfs/dbraw/zinc/13/98/78/173139878.db2.gz OCJCOOQVELFDJW-GFCCVEGCSA-N 1 3 228.336 0.023 20 0 BCADHO CN1CC[C@@]2(CC[N@@H+](CCOCCO)C2)C1 ZINC000368312606 173139880 /nfs/dbraw/zinc/13/98/80/173139880.db2.gz OCJCOOQVELFDJW-GFCCVEGCSA-N 1 3 228.336 0.023 20 0 BCADHO CNC(=O)[C@@H]([NH2+]CC[C@@H]1CCCN1C)C(C)C ZINC000341865023 173296986 /nfs/dbraw/zinc/29/69/86/173296986.db2.gz DBPPLBNOBZZWDS-RYUDHWBXSA-N 1 3 241.379 0.831 20 0 BCADHO CNCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000237179068 173324470 /nfs/dbraw/zinc/32/44/70/173324470.db2.gz PVQOJESWDSEOQT-SECBINFHSA-N 1 3 201.314 0.038 20 0 BCADHO CNCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371263361 173326544 /nfs/dbraw/zinc/32/65/44/173326544.db2.gz XWAGAMMZCPNGCH-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371263361 173326545 /nfs/dbraw/zinc/32/65/45/173326545.db2.gz XWAGAMMZCPNGCH-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CNCC(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366450134 173326753 /nfs/dbraw/zinc/32/67/53/173326753.db2.gz OUMBQQQFGDTPPY-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370771176 173327819 /nfs/dbraw/zinc/32/78/19/173327819.db2.gz GCUYCUIBEUDIMM-SRVKXCTJSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370771176 173327821 /nfs/dbraw/zinc/32/78/21/173327821.db2.gz GCUYCUIBEUDIMM-SRVKXCTJSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000110374384 173328546 /nfs/dbraw/zinc/32/85/46/173328546.db2.gz CQHUUBCGWOLWFV-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)NCCCCC[NH+]1CCCCC1 ZINC000237220541 173329308 /nfs/dbraw/zinc/32/93/08/173329308.db2.gz OWHPOIRSDYFMSE-UHFFFAOYSA-N 1 3 241.379 0.978 20 0 BCADHO CNCC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000237238473 173329941 /nfs/dbraw/zinc/32/99/41/173329941.db2.gz KKBPYVYASSJUJX-LLVKDONJSA-N 1 3 227.352 0.300 20 0 BCADHO CNCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000237238473 173329943 /nfs/dbraw/zinc/32/99/43/173329943.db2.gz KKBPYVYASSJUJX-LLVKDONJSA-N 1 3 227.352 0.300 20 0 BCADHO CNCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670579 173330170 /nfs/dbraw/zinc/33/01/70/173330170.db2.gz HEHFASOARAUEDW-YPMHNXCESA-N 1 3 241.379 0.833 20 0 BCADHO C[NH2+]CC(=O)N[C@H](C)CN1CCCCC1 ZINC000036999108 173331361 /nfs/dbraw/zinc/33/13/61/173331361.db2.gz FMWPZRZKXPRULZ-SNVBAGLBSA-N 1 3 213.325 0.196 20 0 BCADHO CNCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000237276202 173332725 /nfs/dbraw/zinc/33/27/25/173332725.db2.gz ZFEYQOWALRJTQG-JTQLQIEISA-N 1 3 201.314 0.086 20 0 BCADHO C[NH2+]CCC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000062973395 173339807 /nfs/dbraw/zinc/33/98/07/173339807.db2.gz VFUHVVACTQMFDZ-LBPRGKRZSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH2+]CCCC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000237114627 173342808 /nfs/dbraw/zinc/34/28/08/173342808.db2.gz JUOZUTDKRJLPMV-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO C[NH2+]CCC1CCN(CCOCCOC)CC1 ZINC000070481639 173342825 /nfs/dbraw/zinc/34/28/25/173342825.db2.gz AKISNSOMVCNGLH-UHFFFAOYSA-N 1 3 244.379 0.971 20 0 BCADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)C)CC1 ZINC000070189615 173343281 /nfs/dbraw/zinc/34/32/81/173343281.db2.gz XXSNOBHASMPMIR-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH2+]CCCN(C)C[C@@H]1CCCOC1 ZINC000082544478 173346080 /nfs/dbraw/zinc/34/60/80/173346080.db2.gz BJBATGBHKMQRQB-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO C[NH2+]CCCN1CCC[C@H](CC(N)=O)C1 ZINC000309639958 173347509 /nfs/dbraw/zinc/34/75/09/173347509.db2.gz OHFTUKAVGLCKLN-SNVBAGLBSA-N 1 3 213.325 0.183 20 0 BCADHO C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000121118870 173348061 /nfs/dbraw/zinc/34/80/61/173348061.db2.gz XHRXOKWTOUOISJ-SNVBAGLBSA-N 1 3 215.341 0.298 20 0 BCADHO C[NH2+]CCN(C)C(=O)C[C@H](N)c1ccccc1 ZINC000070304843 173351510 /nfs/dbraw/zinc/35/15/10/173351510.db2.gz JMFOZUXGKODSCG-LBPRGKRZSA-N 1 3 235.331 0.754 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](CN)c1ccccc1 ZINC000070304847 173351888 /nfs/dbraw/zinc/35/18/88/173351888.db2.gz AYTHJUPXXXNRCW-GFCCVEGCSA-N 1 3 235.331 0.407 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](C)N1CCCCCC1 ZINC000237073060 173354936 /nfs/dbraw/zinc/35/49/36/173354936.db2.gz VYIVQXITMRXDES-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]C[C@@H]1CCCN([C@@H](C)COC)C1 ZINC000226705468 173368337 /nfs/dbraw/zinc/36/83/37/173368337.db2.gz PHXWYSLJSOAZLF-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO C[NH2+]C[C@@H]1CCN(CCCN2CCOCC2)C1 ZINC000053030922 173369603 /nfs/dbraw/zinc/36/96/03/173369603.db2.gz ABDUDCCQWKGKOF-ZDUSSCGKSA-N 1 3 241.379 0.250 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000092132819 173374609 /nfs/dbraw/zinc/37/46/09/173374609.db2.gz AXNCPKAZJCHMCE-NWDGAFQWSA-N 1 3 241.379 0.833 20 0 BCADHO COCCC[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361893635 174260574 /nfs/dbraw/zinc/26/05/74/174260574.db2.gz YAXOWUUKCLUIDJ-GFCCVEGCSA-N 1 3 244.379 0.848 20 0 BCADHO COCCOCCN1CCC(C[NH+](C)C)CC1 ZINC000352434905 174353301 /nfs/dbraw/zinc/35/33/01/174353301.db2.gz CUDMNSICNBNUHX-UHFFFAOYSA-N 1 3 244.379 0.923 20 0 BCADHO COCCOCCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070026689 174353503 /nfs/dbraw/zinc/35/35/03/174353503.db2.gz VPBQYZYYLYLHDU-NWDGAFQWSA-N 1 3 230.352 0.709 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C1(N)CCCCC1 ZINC000309418765 175707320 /nfs/dbraw/zinc/70/73/20/175707320.db2.gz JNQNMGXGTPOSGG-VIFPVBQESA-N 1 3 213.325 0.359 20 0 BCADHO C[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670571 176152481 /nfs/dbraw/zinc/15/24/81/176152481.db2.gz UFAYGOWCKXXSTQ-WZRBSPASSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C[C@H]1C[NH3+] ZINC000332446907 176161526 /nfs/dbraw/zinc/16/15/26/176161526.db2.gz MHOQTQKOINDETO-YUSALJHKSA-N 1 3 239.363 0.557 20 0 BCADHO C[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336675090 176171826 /nfs/dbraw/zinc/17/18/26/176171826.db2.gz HHPVRCIECFWPOG-PWSUYJOCSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336675090 176171828 /nfs/dbraw/zinc/17/18/28/176171828.db2.gz HHPVRCIECFWPOG-PWSUYJOCSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000186847682 176185649 /nfs/dbraw/zinc/18/56/49/176185649.db2.gz FSHQGAKNPAZWMR-PWSUYJOCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000226084598 176186247 /nfs/dbraw/zinc/18/62/47/176186247.db2.gz DWKWFORBWOYJLU-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC2CCN(C)CC2)C1 ZINC000126108992 176187086 /nfs/dbraw/zinc/18/70/86/176187086.db2.gz NLMWXUASJUETSV-PWSUYJOCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN2C)C[C@@H]1[NH3+] ZINC000333948726 176251518 /nfs/dbraw/zinc/25/15/18/176251518.db2.gz WOYYIXBTNDEQIE-MXWKQRLJSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)CN1 ZINC000356392447 176255337 /nfs/dbraw/zinc/25/53/37/176255337.db2.gz QLBZGAMJKGFWJE-DDHJBXDOSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000335605722 176272522 /nfs/dbraw/zinc/27/25/22/176272522.db2.gz FPTCYSPKGIFOKC-YPMHNXCESA-N 1 3 223.364 0.788 20 0 BCADHO C[C@@H]1CSC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000309457673 176352930 /nfs/dbraw/zinc/35/29/30/176352930.db2.gz NZNWMGZEQSUTRU-WOPDTQHZSA-N 1 3 244.404 0.784 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CCN1C ZINC000132957164 176373699 /nfs/dbraw/zinc/37/36/99/176373699.db2.gz NHOBNWLZICSKHF-VWYCJHECSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CCN1C ZINC000132973396 176374308 /nfs/dbraw/zinc/37/43/08/176374308.db2.gz OQVMXYUGNLLGJF-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NCCCC[NH+](C)C)C1 ZINC000127070134 177175314 /nfs/dbraw/zinc/17/53/14/177175314.db2.gz YYIWMPNUTWAXJA-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000336519614 177213921 /nfs/dbraw/zinc/21/39/21/177213921.db2.gz LUUUHMISXXZGEF-WDEREUQCSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1CCc1cnn(C)c1 ZINC000228659163 177361983 /nfs/dbraw/zinc/36/19/83/177361983.db2.gz KMSWJDVTJPBVCL-CMPLNLGQSA-N 1 3 222.336 0.632 20 0 BCADHO CC(C)[NH2+]CC(=O)NC[C@@H]1CCCN1C ZINC000226082842 487656206 /nfs/dbraw/zinc/65/62/06/487656206.db2.gz WWNCMRYVQHRELT-JTQLQIEISA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678262 487660208 /nfs/dbraw/zinc/66/02/08/487660208.db2.gz QAKJOYJECHYFAV-UPJWGTAASA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000383678262 487660212 /nfs/dbraw/zinc/66/02/12/487660212.db2.gz QAKJOYJECHYFAV-UPJWGTAASA-N 1 3 244.379 0.390 20 0 BCADHO NC1(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000335720942 487661337 /nfs/dbraw/zinc/66/13/37/487661337.db2.gz UWOOMEXHQMZJMF-NXEZZACHSA-N 1 3 225.336 0.644 20 0 BCADHO Cn1cncc1CCCN1CC[C@H](C[NH3+])C1 ZINC000314865452 487668920 /nfs/dbraw/zinc/66/89/20/487668920.db2.gz JTZMVILYSVVTMD-LLVKDONJSA-N 1 3 222.336 0.633 20 0 BCADHO C[NH2+]C[C@H]1CCN(CCCc2cncn2C)C1 ZINC000314866720 487669226 /nfs/dbraw/zinc/66/92/26/487669226.db2.gz JZLVEDUDOYSYQF-GFCCVEGCSA-N 1 3 236.363 0.894 20 0 BCADHO CN(CCC[NH3+])CCCc1cncn1C ZINC000314995217 487670310 /nfs/dbraw/zinc/67/03/10/487670310.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 1 3 210.325 0.633 20 0 BCADHO Cn1cncc1CCC[N@H+](C)CCCN ZINC000314995217 487670311 /nfs/dbraw/zinc/67/03/11/487670311.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 1 3 210.325 0.633 20 0 BCADHO Cn1cncc1CCC[N@@H+](C)CCCN ZINC000314995217 487670314 /nfs/dbraw/zinc/67/03/14/487670314.db2.gz ZKECPZQGPLKIFB-UHFFFAOYSA-N 1 3 210.325 0.633 20 0 BCADHO C[C@H](N)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000165018987 229172209 /nfs/dbraw/zinc/17/22/09/229172209.db2.gz GMCPABWEOTXCMX-SRVKXCTJSA-N 1 3 241.379 0.818 20 0 BCADHO O[C@@H](CNC[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668892 487676886 /nfs/dbraw/zinc/67/68/86/487676886.db2.gz XGPHQUFGAHYQST-NWDGAFQWSA-N 1 3 244.404 0.928 20 0 BCADHO C[NH2+]CCCN(C)CCCc1cncn1C ZINC000314129351 487679716 /nfs/dbraw/zinc/67/97/16/487679716.db2.gz FCRNAVYMQOSKHM-UHFFFAOYSA-N 1 3 224.352 0.894 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000653112647 487687524 /nfs/dbraw/zinc/68/75/24/487687524.db2.gz FJNCPJBGYXMZIX-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[C@@H](CCO)NC[C@H](O)C[N@H+](C)C(C)C ZINC000384039965 487689731 /nfs/dbraw/zinc/68/97/31/487689731.db2.gz UWSBGFOYNOFCJY-QWHCGFSZSA-N 1 3 246.395 0.684 20 0 BCADHO CC(C)[C@@H](CCO)NC[C@H](O)C[N@@H+](C)C(C)C ZINC000384039965 487689736 /nfs/dbraw/zinc/68/97/36/487689736.db2.gz UWSBGFOYNOFCJY-QWHCGFSZSA-N 1 3 246.395 0.684 20 0 BCADHO C[NH+](C)CCCNC(=O)[C@@H](N)C1CCC1 ZINC000399170132 262777676 /nfs/dbraw/zinc/77/76/76/262777676.db2.gz GEJKISSCCHRLCJ-JTQLQIEISA-N 1 3 213.325 0.182 20 0 BCADHO CN1CCC[C@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000669403038 487705774 /nfs/dbraw/zinc/70/57/74/487705774.db2.gz GDBVQFFTERUPFR-NSHDSACASA-N 1 3 240.351 0.132 20 0 BCADHO C[C@H]1CN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCN1 ZINC000669403346 487706178 /nfs/dbraw/zinc/70/61/78/487706178.db2.gz WADWGACERJHYNI-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO C[C@H]1CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCN1 ZINC000669403346 487706183 /nfs/dbraw/zinc/70/61/83/487706183.db2.gz WADWGACERJHYNI-WDEREUQCSA-N 1 3 240.351 0.084 20 0 BCADHO CCN1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000082772126 487730513 /nfs/dbraw/zinc/73/05/13/487730513.db2.gz AGSSYJGLHZQOHM-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](CNC(=O)CC(C)(C)[NH3+])N(C)C1CC1 ZINC000226398837 487734398 /nfs/dbraw/zinc/73/43/98/487734398.db2.gz XYRWBSUZCFHIGN-VIFPVBQESA-N 1 3 227.352 0.713 20 0 BCADHO O[C@H](CNC[C@H]1CCC[C@@H]1O)C[NH+]1CCCC1 ZINC000089169185 487765247 /nfs/dbraw/zinc/76/52/47/487765247.db2.gz GDOUPAYQYPQPMN-UPJWGTAASA-N 1 3 242.363 0.194 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)C[C@@H](N)c1ccccc1 ZINC000662964461 487772617 /nfs/dbraw/zinc/77/26/17/487772617.db2.gz BMYDBRIWFIMMHP-ZYHUDNBSSA-N 1 3 235.331 0.801 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC000662965142 487773734 /nfs/dbraw/zinc/77/37/34/487773734.db2.gz HUOYTPKEDDDQGO-VIFPVBQESA-N 1 3 201.314 0.051 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC000662965134 487773931 /nfs/dbraw/zinc/77/39/31/487773931.db2.gz HUOYTPKEDDDQGO-SECBINFHSA-N 1 3 201.314 0.051 20 0 BCADHO Cn1nccc1CC[NH2+][C@H]1CCNCC1(C)C ZINC000383121510 487775322 /nfs/dbraw/zinc/77/53/22/487775322.db2.gz HEXKQOQRTCTXKT-LBPRGKRZSA-N 1 3 236.363 0.940 20 0 BCADHO Cn1nccc1CCN[C@H]1CC[NH2+]CC1(C)C ZINC000383121510 487775324 /nfs/dbraw/zinc/77/53/24/487775324.db2.gz HEXKQOQRTCTXKT-LBPRGKRZSA-N 1 3 236.363 0.940 20 0 BCADHO CC(C)NCC(=O)NC1CCC([NH3+])CC1 ZINC000051694899 487779014 /nfs/dbraw/zinc/77/90/14/487779014.db2.gz OFGIRILIZDIYMO-UHFFFAOYSA-N 1 3 213.325 0.371 20 0 BCADHO CC[C@@H]1CN(CC(C)(C)O)CC[C@H]1[NH3+] ZINC000251748085 487795369 /nfs/dbraw/zinc/79/53/69/487795369.db2.gz LFIGQKAEVHRCRO-NXEZZACHSA-N 1 3 200.326 0.817 20 0 BCADHO [NH3+]CCCN(CCO)[C@H]1CCCSC1 ZINC000414768779 487824263 /nfs/dbraw/zinc/82/42/63/487824263.db2.gz VSACAYQNZHAFNM-JTQLQIEISA-N 1 3 218.366 0.525 20 0 BCADHO C[C@@H]1CN[C@@H](C)C[N@@H+]1CCCN1CCOCC1 ZINC000062620414 487846961 /nfs/dbraw/zinc/84/69/61/487846961.db2.gz OKKINFVUDNEBPR-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@@H]1CN[C@@H](C)C[N@H+]1CCCN1CCOCC1 ZINC000062620414 487846968 /nfs/dbraw/zinc/84/69/68/487846968.db2.gz OKKINFVUDNEBPR-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747945 487851790 /nfs/dbraw/zinc/85/17/90/487851790.db2.gz OIZXCGDLWPIHQK-NWDGAFQWSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]([NH3+])CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000373091464 487859279 /nfs/dbraw/zinc/85/92/79/487859279.db2.gz VDYJAINZTACYKM-SNVBAGLBSA-N 1 3 247.342 0.336 20 0 BCADHO N[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)C1CCC1 ZINC000569574692 322971036 /nfs/dbraw/zinc/97/10/36/322971036.db2.gz OJYBESFQKGRJRJ-YUMQZZPRSA-N 1 3 235.278 0.213 20 0 BCADHO CC(C)(C)[NH2+]CCNC[C@@H]1C[C@H](F)CN1 ZINC000666947768 487889470 /nfs/dbraw/zinc/88/94/70/487889470.db2.gz GTLDQTNPHAELSE-UWVGGRQHSA-N 1 3 217.332 0.664 20 0 BCADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1 ZINC000666947961 487889922 /nfs/dbraw/zinc/88/99/22/487889922.db2.gz LXXHNWIAOJLKIU-BJDJZHNGSA-N 1 3 229.343 0.807 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655516259 487897428 /nfs/dbraw/zinc/89/74/28/487897428.db2.gz QVSAXWDXUXLMSW-RITPCOANSA-N 1 3 227.230 0.120 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)NCCN1CCCCCC1 ZINC000092135543 487898592 /nfs/dbraw/zinc/89/85/92/487898592.db2.gz GTBFJFYPIUFMAF-GFCCVEGCSA-N 1 3 241.379 0.834 20 0 BCADHO CC[NH2+]CCNC(=O)N(C)CCN(C)C1CC1 ZINC000418322499 487913307 /nfs/dbraw/zinc/91/33/07/487913307.db2.gz FRMQQJPWYUQRHA-UHFFFAOYSA-N 1 3 242.367 0.332 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157782122 487920587 /nfs/dbraw/zinc/92/05/87/487920587.db2.gz SODDOZGTULRSPL-HBNTYKKESA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157782122 487920589 /nfs/dbraw/zinc/92/05/89/487920589.db2.gz SODDOZGTULRSPL-HBNTYKKESA-N 1 3 225.336 0.337 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](C)C1 ZINC000652335872 487924695 /nfs/dbraw/zinc/92/46/95/487924695.db2.gz MXKXLARGEDZUMG-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](C)C1 ZINC000652335872 487924696 /nfs/dbraw/zinc/92/46/96/487924696.db2.gz MXKXLARGEDZUMG-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C)C1 ZINC000652335872 487924701 /nfs/dbraw/zinc/92/47/01/487924701.db2.gz MXKXLARGEDZUMG-WDEREUQCSA-N 1 3 200.326 0.689 20 0 BCADHO CO[C@]1(CNCCC[NH+](C)C)CCOC1 ZINC000125779105 487927597 /nfs/dbraw/zinc/92/75/97/487927597.db2.gz QIQOVIHDPIOJMZ-NSHDSACASA-N 1 3 216.325 0.333 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000669474604 487937157 /nfs/dbraw/zinc/93/71/57/487937157.db2.gz ICEMYSMQWJPPKY-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH3+])N1CCCCC1 ZINC000194896751 487950355 /nfs/dbraw/zinc/95/03/55/487950355.db2.gz FDNZILFXXDJGLN-RYUDHWBXSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000564947249 322976804 /nfs/dbraw/zinc/97/68/04/322976804.db2.gz DOAQKNDANMBDHP-ZJUUUORDSA-N 1 3 225.336 0.243 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2)CC[NH2+]1 ZINC000566253065 322979975 /nfs/dbraw/zinc/97/99/75/322979975.db2.gz YGLIDZXBQLIJKX-VWYCJHECSA-N 1 3 225.336 0.385 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000566481884 323001244 /nfs/dbraw/zinc/00/12/44/323001244.db2.gz HNGTUVKRBQICQA-YNEHKIRRSA-N 1 3 244.379 0.879 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000562805308 323030961 /nfs/dbraw/zinc/03/09/61/323030961.db2.gz GQVABUKVVWVSPR-QWRGUYRKSA-N 1 3 229.368 0.864 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCNC(C)(C)C1 ZINC000562808902 323031124 /nfs/dbraw/zinc/03/11/24/323031124.db2.gz WLNBWYRPWKKGAL-ZJUUUORDSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000562809419 323031271 /nfs/dbraw/zinc/03/12/71/323031271.db2.gz USVXTRRCUVQZMD-HTQZYQBOSA-N 1 3 201.314 0.213 20 0 BCADHO C[NH2+]CCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000404940971 323032005 /nfs/dbraw/zinc/03/20/05/323032005.db2.gz DYMXEEHVLRAGMS-LLVKDONJSA-N 1 3 227.352 0.539 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000569676909 323036583 /nfs/dbraw/zinc/03/65/83/323036583.db2.gz LOWUMPTZVVQZEC-MDZLAQPJSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000570094113 323049657 /nfs/dbraw/zinc/04/96/57/323049657.db2.gz CEFKUWPQATZCCS-NXEZZACHSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](N)CC(F)F ZINC000570214728 323052918 /nfs/dbraw/zinc/05/29/18/323052918.db2.gz BNFIPEGXUHKAIK-RRKCRQDMSA-N 1 3 223.267 0.211 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](CN)c1ccccc1 ZINC000570334708 323056271 /nfs/dbraw/zinc/05/62/71/323056271.db2.gz WROYSJMTZCYKNE-GVXVVHGQSA-N 1 3 249.358 0.971 20 0 BCADHO C[C@@H]1CCN(CC(=O)NCC[NH+](C)C)C1 ZINC000570820709 323071692 /nfs/dbraw/zinc/07/16/92/323071692.db2.gz UWFCPRARMPBWCR-SNVBAGLBSA-N 1 3 213.325 0.006 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973562 323088809 /nfs/dbraw/zinc/08/88/09/323088809.db2.gz HVARXZHIGQUUED-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000563086899 323090606 /nfs/dbraw/zinc/09/06/06/323090606.db2.gz VBZYPGDHYVAGJH-TUAOUCFPSA-N 1 3 239.363 0.395 20 0 BCADHO N[C@H](CC(F)F)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563100970 323092355 /nfs/dbraw/zinc/09/23/55/323092355.db2.gz LLBKZHHQIXEESH-RKDXNWHRSA-N 1 3 249.305 0.475 20 0 BCADHO N[C@H](CC(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000563101872 323092448 /nfs/dbraw/zinc/09/24/48/323092448.db2.gz QZOFVCXROJCQQW-STQMWFEESA-N 1 3 247.342 0.506 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1ccccc1CN(C)C ZINC000563159161 323097013 /nfs/dbraw/zinc/09/70/13/323097013.db2.gz KCWOAMYUPPUIRU-SNVBAGLBSA-N 1 3 235.331 0.825 20 0 BCADHO CCS(=O)(=O)CCCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000563424358 323124183 /nfs/dbraw/zinc/12/41/83/323124183.db2.gz LRGMJKBGQHEWBL-QWRGUYRKSA-N 1 3 248.392 0.671 20 0 BCADHO CCS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000563424358 323124184 /nfs/dbraw/zinc/12/41/84/323124184.db2.gz LRGMJKBGQHEWBL-QWRGUYRKSA-N 1 3 248.392 0.671 20 0 BCADHO CC(C)NCC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000563451615 323126523 /nfs/dbraw/zinc/12/65/23/323126523.db2.gz NTWWFCQHGWLFSY-MNOVXSKESA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000563588800 323130653 /nfs/dbraw/zinc/13/06/53/323130653.db2.gz ZFWREUCJQBAGOH-YNEHKIRRSA-N 1 3 247.342 0.677 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571178897 323137202 /nfs/dbraw/zinc/13/72/02/323137202.db2.gz SLZLRSBBKHFGGD-OUAUKWLOSA-N 1 3 223.324 0.526 20 0 BCADHO CC[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000571168046 323137394 /nfs/dbraw/zinc/13/73/94/323137394.db2.gz YLDQMFCIBFEAJX-NSHDSACASA-N 1 3 221.304 0.499 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@H](C)NC)CC1 ZINC000571461263 323145362 /nfs/dbraw/zinc/14/53/62/323145362.db2.gz HLYSMQIDGSSFMX-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO COC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)C1CC1 ZINC000397273923 323150430 /nfs/dbraw/zinc/15/04/30/323150430.db2.gz YLFRDVIUZNJZOD-JLLWLGSASA-N 1 3 212.337 0.999 20 0 BCADHO COC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000397273923 323150431 /nfs/dbraw/zinc/15/04/31/323150431.db2.gz YLFRDVIUZNJZOD-JLLWLGSASA-N 1 3 212.337 0.999 20 0 BCADHO C[C@H](N)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000563811389 323178674 /nfs/dbraw/zinc/17/86/74/323178674.db2.gz BOOYGPSAKDMQHZ-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCN1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])CC1=O ZINC000391624041 323179644 /nfs/dbraw/zinc/17/96/44/323179644.db2.gz VBXZJMSTKJWOEI-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000308976551 323183081 /nfs/dbraw/zinc/18/30/81/323183081.db2.gz GTUYSUUHKNRYKI-VGMNWLOBSA-N 1 3 201.314 0.213 20 0 BCADHO CC[NH+](CC)CCCNC(=O)[C@H](N)C1CCC1 ZINC000399106716 323197029 /nfs/dbraw/zinc/19/70/29/323197029.db2.gz XVVCAPIENNMHRQ-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CNC(=O)C1(C)C[NH2+]C1)N1CCCC1 ZINC000399232524 323200989 /nfs/dbraw/zinc/20/09/89/323200989.db2.gz GJZDPSPBYKBBSJ-SNVBAGLBSA-N 1 3 225.336 0.196 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000399250361 323201837 /nfs/dbraw/zinc/20/18/37/323201837.db2.gz XNFAGIOIFWAUOR-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](N)C1CCC1 ZINC000399250361 323201838 /nfs/dbraw/zinc/20/18/38/323201838.db2.gz XNFAGIOIFWAUOR-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[NH+]1CCC(NC[C@@H]2COCCN2)CC1 ZINC000530182710 323205727 /nfs/dbraw/zinc/20/57/27/323205727.db2.gz YHFPPHBBNVKZHG-CYBMUJFWSA-N 1 3 241.379 0.437 20 0 BCADHO CC(C)N1CCC([NH2+]C[C@@H]2COCCN2)CC1 ZINC000530182710 323205728 /nfs/dbraw/zinc/20/57/28/323205728.db2.gz YHFPPHBBNVKZHG-CYBMUJFWSA-N 1 3 241.379 0.437 20 0 BCADHO CCN1CC[C@H]([NH2+]C[C@@H]2COCCN2)[C@H](C)C1 ZINC000530226752 323219512 /nfs/dbraw/zinc/21/95/12/323219512.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H]2COCCN2)[C@H](C)C1 ZINC000530226752 323219513 /nfs/dbraw/zinc/21/95/13/323219513.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 1 3 241.379 0.295 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H]2COCCN2)[C@H](C)C1 ZINC000530226752 323219514 /nfs/dbraw/zinc/21/95/14/323219514.db2.gz YJPXLLTZNBGHFW-UPJWGTAASA-N 1 3 241.379 0.295 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563959059 323331766 /nfs/dbraw/zinc/33/17/66/323331766.db2.gz CMEVJUHTPNGXKX-YPMHNXCESA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000563958837 323331845 /nfs/dbraw/zinc/33/18/45/323331845.db2.gz CMEVJUHTPNGXKX-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000309401562 323380592 /nfs/dbraw/zinc/38/05/92/323380592.db2.gz HKYJNQMILAJGFH-MWLCHTKSSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000572122230 323543365 /nfs/dbraw/zinc/54/33/65/323543365.db2.gz WKRGGXWKJYIHDQ-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H](C)C[NH2+]C ZINC000086068555 324117823 /nfs/dbraw/zinc/11/78/23/324117823.db2.gz LARHSTXQGVKLJJ-LLVKDONJSA-N 1 3 229.368 0.642 20 0 BCADHO COCCOC[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000572497113 324134186 /nfs/dbraw/zinc/13/41/86/324134186.db2.gz BZAZYVOBCBQIMJ-SDDRHHMPSA-N 1 3 230.352 0.897 20 0 BCADHO COCCOCCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397338434 324213150 /nfs/dbraw/zinc/21/31/50/324213150.db2.gz ZEDIGUHTEZIZBC-AVGNSLFASA-N 1 3 244.379 0.955 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000131924586 325191020 /nfs/dbraw/zinc/19/10/20/325191020.db2.gz LNDHMYNZXRPDNJ-OUAUKWLOSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCCN1 ZINC000131924372 325191041 /nfs/dbraw/zinc/19/10/41/325191041.db2.gz LNDHMYNZXRPDNJ-VWYCJHECSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000564567143 325795834 /nfs/dbraw/zinc/79/58/34/325795834.db2.gz LQUPHQPCZVVPIZ-WCABBAIRSA-N 1 3 225.336 0.241 20 0 BCADHO CN(C(=O)C1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000564941271 325830684 /nfs/dbraw/zinc/83/06/84/325830684.db2.gz LRIZZVBIEOEKFB-LLVKDONJSA-N 1 3 225.336 0.149 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCCCN1 ZINC000564995701 325843212 /nfs/dbraw/zinc/84/32/12/325843212.db2.gz ONOJVSOAPALZGP-VHSXEESVSA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CCC[NH3+])CCN1 ZINC000309465414 487971434 /nfs/dbraw/zinc/97/14/34/487971434.db2.gz PTQQFGBYIGEBRU-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)NC1CC1 ZINC000566200463 326011998 /nfs/dbraw/zinc/01/19/98/326011998.db2.gz WGVXFYTVSMJUBL-DTWKUNHWSA-N 1 3 213.325 0.099 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000566206124 326013225 /nfs/dbraw/zinc/01/32/25/326013225.db2.gz OXIHXWJSOWLDSD-ZDCRXTMVSA-N 1 3 227.352 0.617 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000566213583 326015019 /nfs/dbraw/zinc/01/50/19/326015019.db2.gz XAEGRTFUCGPWSR-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO O=C1NCC[C@@H]1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245125 326021681 /nfs/dbraw/zinc/02/16/81/326021681.db2.gz DGSXYOYPMUGNKE-TUAOUCFPSA-N 1 3 237.347 0.196 20 0 BCADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CC(F)F ZINC000566244584 326022340 /nfs/dbraw/zinc/02/23/40/326022340.db2.gz YZHLWYIYQWFAHU-YUMQZZPRSA-N 1 3 235.278 0.179 20 0 BCADHO [NH3+]CCCN1CCC[C@H](c2ncc[nH]2)C1 ZINC000566302737 326031364 /nfs/dbraw/zinc/03/13/64/326031364.db2.gz QQEMBHKHXQPLBE-JTQLQIEISA-N 1 3 208.309 0.938 20 0 BCADHO CN[C@@H](C)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000566572794 326065930 /nfs/dbraw/zinc/06/59/30/326065930.db2.gz WBMHDLOWXWOXSA-VIFPVBQESA-N 1 3 237.303 0.571 20 0 BCADHO O=C(C[C@@H]1CCC[NH2+]1)NCCNc1ccncc1 ZINC000566852974 326087813 /nfs/dbraw/zinc/08/78/13/326087813.db2.gz SNKRGRBVDRDZPE-LBPRGKRZSA-N 1 3 248.330 0.174 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000566913069 326093419 /nfs/dbraw/zinc/09/34/19/326093419.db2.gz PKVSANCNXFNQLS-UMNHJUIQSA-N 1 3 237.347 0.337 20 0 BCADHO CNC[C@](C)(O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000566918037 326093891 /nfs/dbraw/zinc/09/38/91/326093891.db2.gz DQOHWYQDWFGZMT-DCAQKATOSA-N 1 3 200.326 0.545 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C)CN1C1CC1 ZINC000154353969 326141045 /nfs/dbraw/zinc/14/10/45/326141045.db2.gz PGVYGTSNTFPTHN-WZRBSPASSA-N 1 3 241.379 0.124 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000309823798 326170374 /nfs/dbraw/zinc/17/03/74/326170374.db2.gz WXGYTVHGTISKSD-IVZWLZJFSA-N 1 3 213.325 0.165 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000567383895 326180734 /nfs/dbraw/zinc/18/07/34/326180734.db2.gz CZEBFVFKXACOFD-MFKMUULPSA-N 1 3 239.363 0.633 20 0 BCADHO CCN1CCN(CCCC[NH2+]C[C@H](C)O)CC1 ZINC000567691487 326246171 /nfs/dbraw/zinc/24/61/71/326246171.db2.gz YMMHWCGAOSPSOK-ZDUSSCGKSA-N 1 3 243.395 0.375 20 0 BCADHO NC(=O)CCNC1CC[NH+](C2CCC2)CC1 ZINC000567696090 326246853 /nfs/dbraw/zinc/24/68/53/326246853.db2.gz PZDCPYGCZVOEEO-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CCCN(C)CC(=O)NCCC[NH2+]CC ZINC000567834427 326266130 /nfs/dbraw/zinc/26/61/30/326266130.db2.gz ZYFJQWWYDSFKPC-UHFFFAOYSA-N 1 3 215.341 0.444 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000567897192 326278816 /nfs/dbraw/zinc/27/88/16/326278816.db2.gz LGMAUQCFONBEDM-CYBMUJFWSA-N 1 3 245.326 0.724 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567925538 326284238 /nfs/dbraw/zinc/28/42/38/326284238.db2.gz OASMBNLCYJVDEP-QEYWKRMJSA-N 1 3 215.341 0.602 20 0 BCADHO CO[C@H](CN)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000568254148 326332256 /nfs/dbraw/zinc/33/22/56/326332256.db2.gz KHEVVDXNTALQSP-SNVBAGLBSA-N 1 3 223.276 0.058 20 0 BCADHO CO[C@@H]1COC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568247902 326334425 /nfs/dbraw/zinc/33/44/25/326334425.db2.gz AIWMRGFVJHFQJW-CHWFTXMASA-N 1 3 214.309 0.260 20 0 BCADHO NC(=O)C1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCCC1 ZINC000568249087 326334857 /nfs/dbraw/zinc/33/48/57/326334857.db2.gz HFRTVWCTQKAJBV-GHMZBOCLSA-N 1 3 239.363 0.892 20 0 BCADHO NC(=O)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000568249087 326334858 /nfs/dbraw/zinc/33/48/58/326334858.db2.gz HFRTVWCTQKAJBV-GHMZBOCLSA-N 1 3 239.363 0.892 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)C2(N)CCC2)C1 ZINC000568275513 326339685 /nfs/dbraw/zinc/33/96/85/326339685.db2.gz YKNGXDSWSSDRDU-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)C2(N)CCC2)C1 ZINC000568275513 326339687 /nfs/dbraw/zinc/33/96/87/326339687.db2.gz YKNGXDSWSSDRDU-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158918601 326346059 /nfs/dbraw/zinc/34/60/59/326346059.db2.gz XCNSGLJVZNJBTF-GVXVVHGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2)cc1 ZINC000568629445 326368983 /nfs/dbraw/zinc/36/89/83/326368983.db2.gz FXIWAAZEGGVTSZ-NWDGAFQWSA-N 1 3 249.314 0.067 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H](C)NC2CC2)CC1 ZINC000569118139 326391485 /nfs/dbraw/zinc/39/14/85/326391485.db2.gz WTFNPDAUEQQEHQ-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215334 326394905 /nfs/dbraw/zinc/39/49/05/326394905.db2.gz YNBWVSPRYXBFAZ-HBNTYKKESA-N 1 3 225.336 0.243 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)CCCC[NH3+] ZINC000569248143 326397765 /nfs/dbraw/zinc/39/77/65/326397765.db2.gz HTTNYSAILYMVIN-GFCCVEGCSA-N 1 3 241.379 0.916 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[NH2+]C1CC1 ZINC000309507445 487979605 /nfs/dbraw/zinc/97/96/05/487979605.db2.gz WISLIDDJIHGNHJ-NSHDSACASA-N 1 3 213.325 0.372 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446411169 487980870 /nfs/dbraw/zinc/98/08/70/487980870.db2.gz FKNAKYCCKMAQLH-FOGDFJRCSA-N 1 3 227.352 0.890 20 0 BCADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC(C)(C)CO ZINC000643475013 488015694 /nfs/dbraw/zinc/01/56/94/488015694.db2.gz OGUSNISNYOGNDR-QWRGUYRKSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCC(C)(C)CO ZINC000643475013 488015701 /nfs/dbraw/zinc/01/57/01/488015701.db2.gz OGUSNISNYOGNDR-QWRGUYRKSA-N 1 3 214.353 0.983 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)N(C)C ZINC000084382477 488048236 /nfs/dbraw/zinc/04/82/36/488048236.db2.gz CXHWMETXOBSHMS-NXEZZACHSA-N 1 3 213.325 0.052 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000091395024 488049167 /nfs/dbraw/zinc/04/91/67/488049167.db2.gz DCNPULKGRILJTK-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491124 488052323 /nfs/dbraw/zinc/05/23/23/488052323.db2.gz MPZVWGPWMMMPKE-MWLCHTKSSA-N 1 3 240.351 0.117 20 0 BCADHO CN(CC[NH3+])C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491112 488052999 /nfs/dbraw/zinc/05/29/99/488052999.db2.gz MHRHXSXMDSIVKQ-LLVKDONJSA-N 1 3 240.351 0.071 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)C(F)F)C1 ZINC000236294004 488056476 /nfs/dbraw/zinc/05/64/76/488056476.db2.gz KCYBVTJIHAVQGW-GJMOJQLCSA-N 1 3 208.252 0.472 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000309217116 488060967 /nfs/dbraw/zinc/06/09/67/488060967.db2.gz FTIXDVQEPJEFGR-VXGBXAGGSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CO ZINC000309217116 488060971 /nfs/dbraw/zinc/06/09/71/488060971.db2.gz FTIXDVQEPJEFGR-VXGBXAGGSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236649263 488080200 /nfs/dbraw/zinc/08/02/00/488080200.db2.gz YTBXJTVLYQLWQO-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO CCCN1CC[C@H](NC(=O)CCC[NH3+])C1 ZINC000389195636 488080516 /nfs/dbraw/zinc/08/05/16/488080516.db2.gz XANMTDOOBPBMTC-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CCC[NH3+])C1 ZINC000389195637 488080963 /nfs/dbraw/zinc/08/09/63/488080963.db2.gz XANMTDOOBPBMTC-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000389204109 488082198 /nfs/dbraw/zinc/08/21/98/488082198.db2.gz ZHXKBYUSMYTTFX-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000389204109 488082202 /nfs/dbraw/zinc/08/22/02/488082202.db2.gz ZHXKBYUSMYTTFX-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CCCN1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000389634339 488103773 /nfs/dbraw/zinc/10/37/73/488103773.db2.gz IVSIBLWENSRBGX-NWDGAFQWSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000669508978 488108135 /nfs/dbraw/zinc/10/81/35/488108135.db2.gz YNBWVSPRYXBFAZ-OUAUKWLOSA-N 1 3 225.336 0.243 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000669510456 488112447 /nfs/dbraw/zinc/11/24/47/488112447.db2.gz LSBQSZRYILNZGJ-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000669510310 488112535 /nfs/dbraw/zinc/11/25/35/488112535.db2.gz CCIPRPFLJWKLTD-LLVKDONJSA-N 1 3 239.363 0.633 20 0 BCADHO C[C@]1(C(=O)NC[C@@H](N)c2ccccc2)CCC[NH2+]1 ZINC000669510724 488113399 /nfs/dbraw/zinc/11/33/99/488113399.db2.gz XNFSXEFUJPRAGB-TZMCWYRMSA-N 1 3 247.342 0.945 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000246785004 488113836 /nfs/dbraw/zinc/11/38/36/488113836.db2.gz AALHSEFIKWTECB-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CNCCN1C(=O)C[NH2+]CC1CC1 ZINC000669512459 488118640 /nfs/dbraw/zinc/11/86/40/488118640.db2.gz YDWPVUVAPQEEDD-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000669513845 488122454 /nfs/dbraw/zinc/12/24/54/488122454.db2.gz XUXDFSKTPSGLDJ-LLVKDONJSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C2([NH3+])CCCC2)CCN1 ZINC000669514685 488123967 /nfs/dbraw/zinc/12/39/67/488123967.db2.gz ZPAHFNVPKJYVOU-LLVKDONJSA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCN1 ZINC000669514933 488124181 /nfs/dbraw/zinc/12/41/81/488124181.db2.gz TYRAVONDEVUNEI-DGCLKSJQSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@H]2C)CCN1 ZINC000669514883 488124600 /nfs/dbraw/zinc/12/46/00/488124600.db2.gz OQURFPHYEZVMQM-SDDRHHMPSA-N 1 3 239.363 0.441 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514765 488124639 /nfs/dbraw/zinc/12/46/39/488124639.db2.gz GMFDGURZHWQGAM-WDEREUQCSA-N 1 3 227.352 0.298 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CCN1 ZINC000669514882 488124556 /nfs/dbraw/zinc/12/45/56/488124556.db2.gz OQURFPHYEZVMQM-QJPTWQEYSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CC[C@@H](C)[NH3+])CCN1 ZINC000669514988 488125208 /nfs/dbraw/zinc/12/52/08/488125208.db2.gz ZNXWNWXUKICFBT-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000669516188 488126141 /nfs/dbraw/zinc/12/61/41/488126141.db2.gz WVMZAZNGJPUKLO-USZNOCQGSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@H](N)CC(C)C)CC[C@H]1[NH3+] ZINC000669516050 488125973 /nfs/dbraw/zinc/12/59/73/488125973.db2.gz PQWOCJKUDJZEPT-IJLUTSLNSA-N 1 3 241.379 0.946 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2([NH3+])CCC2)[C@H]1C ZINC000669516824 488126936 /nfs/dbraw/zinc/12/69/36/488126936.db2.gz HCNVSAIQWJHPDO-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CCO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000085131495 488132012 /nfs/dbraw/zinc/13/20/12/488132012.db2.gz SVTIHWXVLZLMJB-VXGBXAGGSA-N 1 3 230.352 0.051 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000162264910 487546591 /nfs/dbraw/zinc/54/65/91/487546591.db2.gz ARTJPAGDFVQWJT-SECBINFHSA-N 1 3 213.325 0.228 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])C1 ZINC000070088299 487547791 /nfs/dbraw/zinc/54/77/91/487547791.db2.gz NPWCKTFXRJJRBN-NSHDSACASA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CCCC1 ZINC000161057517 487474019 /nfs/dbraw/zinc/47/40/19/487474019.db2.gz WMRPKJJLDZFISI-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000086067800 487477123 /nfs/dbraw/zinc/47/71/23/487477123.db2.gz ZGNWYABTMPDFPL-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO CCN1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000391496147 487481154 /nfs/dbraw/zinc/48/11/54/487481154.db2.gz GXOXIUAVCRINLE-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC(=O)N2)C1 ZINC000086404429 487500935 /nfs/dbraw/zinc/50/09/35/487500935.db2.gz IMMZTIHIOJACTC-UTLUCORTSA-N 1 3 211.309 0.125 20 0 BCADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000086404429 487500937 /nfs/dbraw/zinc/50/09/37/487500937.db2.gz IMMZTIHIOJACTC-UTLUCORTSA-N 1 3 211.309 0.125 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973208 487504942 /nfs/dbraw/zinc/50/49/42/487504942.db2.gz JVPIQQFWJKZANO-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO NC[C@H](C(=O)NCC[NH2+]C1CC1)c1ccccc1 ZINC000237817359 487518465 /nfs/dbraw/zinc/51/84/65/487518465.db2.gz MNLHOZVSHWZTDX-ZDUSSCGKSA-N 1 3 247.342 0.597 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CC[C@@H]1[NH3+] ZINC000662243807 490040998 /nfs/dbraw/zinc/04/09/98/490040998.db2.gz KGKNFTAOHXSOAC-WOPDTQHZSA-N 1 3 239.363 0.177 20 0 BCADHO CO[C@H](CN[C@@H](C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000668445001 487766413 /nfs/dbraw/zinc/76/64/13/487766413.db2.gz VEAABPVMXUIIHZ-RWMBFGLXSA-N 1 3 244.379 0.968 20 0 BCADHO CC[C@H](CN1CCCC1)NC(=O)[C@H](C)[NH2+]C ZINC000655448108 488036834 /nfs/dbraw/zinc/03/68/34/488036834.db2.gz BSNYNONAMKOODX-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C[C@@H](N)Cc1ccccc1 ZINC000669520117 488136405 /nfs/dbraw/zinc/13/64/05/488136405.db2.gz AISNLVGQVNNBJI-GVXVVHGQSA-N 1 3 249.358 0.798 20 0 BCADHO CN1CCC(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000237105063 488149499 /nfs/dbraw/zinc/14/94/99/488149499.db2.gz DDYBCKZPJKSMJF-UHFFFAOYSA-N 1 3 225.336 0.196 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CCCOCCO)C1 ZINC000230782872 488158078 /nfs/dbraw/zinc/15/80/78/488158078.db2.gz BLQDZJXHTVUIQV-GHMZBOCLSA-N 1 3 216.325 0.245 20 0 BCADHO CCn1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000404432552 488159361 /nfs/dbraw/zinc/15/93/61/488159361.db2.gz AAEJBTZMYGISTJ-GRYCIOLGSA-N 1 3 249.362 0.776 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000390617961 488170029 /nfs/dbraw/zinc/17/00/29/488170029.db2.gz DNJIXOSNMUTUJI-NWDGAFQWSA-N 1 3 230.352 0.144 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000390617961 488170034 /nfs/dbraw/zinc/17/00/34/488170034.db2.gz DNJIXOSNMUTUJI-NWDGAFQWSA-N 1 3 230.352 0.144 20 0 BCADHO CN1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000380124609 488175283 /nfs/dbraw/zinc/17/52/83/488175283.db2.gz VHJKRDJWJAFRRL-KXUCPTDWSA-N 1 3 211.309 0.077 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[NH3+] ZINC000669530090 488178488 /nfs/dbraw/zinc/17/84/88/488178488.db2.gz PXOOEESUAYKJHY-NSHDSACASA-N 1 3 242.367 0.509 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C[NH2+]C(C)C ZINC000037477077 488186762 /nfs/dbraw/zinc/18/67/62/488186762.db2.gz OVVXFTIPXBBPFR-LLVKDONJSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC2([NH3+])CC2)CCN1C ZINC000398073945 488207729 /nfs/dbraw/zinc/20/77/29/488207729.db2.gz AVAUGHRBQPFWQP-ZJUUUORDSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)N1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000043802301 488209001 /nfs/dbraw/zinc/20/90/01/488209001.db2.gz XPGGPQYTRYJJCW-GFCCVEGCSA-N 1 3 227.352 0.001 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000399089751 488226988 /nfs/dbraw/zinc/22/69/88/488226988.db2.gz WAKFPZNNVJBETD-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C2CCC2)C1 ZINC000399089751 488226991 /nfs/dbraw/zinc/22/69/91/488226991.db2.gz WAKFPZNNVJBETD-NEPJUHHUSA-N 1 3 239.363 0.714 20 0 BCADHO c1cc2n(n1)C[C@H](CN1C[C@H]3C[NH2+]C[C@H]3C1)CN2 ZINC000684202698 488276113 /nfs/dbraw/zinc/27/61/13/488276113.db2.gz XUKIOGYQOKAFRY-SDDRHHMPSA-N 1 3 247.346 0.076 20 0 BCADHO CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000673660822 488301717 /nfs/dbraw/zinc/30/17/17/488301717.db2.gz DWQFGDLXTGKQKB-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[NH2+]CCC(=O)N[C@H](CN)C(F)(F)F ZINC000655505413 490106679 /nfs/dbraw/zinc/10/66/79/490106679.db2.gz ZCKXUVATORVTCL-SSDOTTSWSA-N 1 3 241.257 0.380 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000070941765 490250962 /nfs/dbraw/zinc/25/09/62/490250962.db2.gz FNKCZKJFFWPQGX-OLZOCXBDSA-N 1 3 239.363 0.145 20 0 BCADHO [NH3+]CCCNC(=O)c1cccc2c1CCNC2 ZINC000124214826 490332778 /nfs/dbraw/zinc/33/27/78/490332778.db2.gz BCSARICNTFQPTR-UHFFFAOYSA-N 1 3 233.315 0.411 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000083913568 490344862 /nfs/dbraw/zinc/34/48/62/490344862.db2.gz RUPBKKZHPWDJAC-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CNCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000083913568 490344864 /nfs/dbraw/zinc/34/48/64/490344864.db2.gz RUPBKKZHPWDJAC-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000125480298 490437177 /nfs/dbraw/zinc/43/71/77/490437177.db2.gz ZSACQKBDOOEXSQ-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H](N(C)C[C@@H]2CNCCO2)CC[N@H+]1C ZINC000125480298 490437182 /nfs/dbraw/zinc/43/71/82/490437182.db2.gz ZSACQKBDOOEXSQ-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CNCCO2)CCN1C ZINC000125480298 490437188 /nfs/dbraw/zinc/43/71/88/490437188.db2.gz ZSACQKBDOOEXSQ-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CNCCO2)CCN1C ZINC000125480298 490437194 /nfs/dbraw/zinc/43/71/94/490437194.db2.gz ZSACQKBDOOEXSQ-AGIUHOORSA-N 1 3 241.379 0.389 20 0 BCADHO O[C@@H](C[NH2+]CCOCC1CC1)CN1CCCC1 ZINC000236526940 491072014 /nfs/dbraw/zinc/07/20/14/491072014.db2.gz ZKSQVALUILVZQZ-ZDUSSCGKSA-N 1 3 242.363 0.459 20 0 BCADHO CC(C)NCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659305188 491078043 /nfs/dbraw/zinc/07/80/43/491078043.db2.gz FMTZSGZVUDLZLT-NXEZZACHSA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000153186895 491091970 /nfs/dbraw/zinc/09/19/70/491091970.db2.gz NSWYNXPHBZHRKT-OUAUKWLOSA-N 1 3 227.352 0.569 20 0 BCADHO CCN(CC)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000111612038 491125265 /nfs/dbraw/zinc/12/52/65/491125265.db2.gz KOPXWEWKAYTIAX-NSHDSACASA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000653214958 491128331 /nfs/dbraw/zinc/12/83/31/491128331.db2.gz JHZWAXMORVGDSU-SNVBAGLBSA-N 1 3 227.352 0.605 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559671 491128805 /nfs/dbraw/zinc/12/88/05/491128805.db2.gz PDCUADPFJUCYSO-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000049559741 491128825 /nfs/dbraw/zinc/12/88/25/491128825.db2.gz ZHNUNLVBNOJWMU-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CCN1CCCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000335299212 535509344 /nfs/dbraw/zinc/50/93/44/535509344.db2.gz GKWPUCYSRPZJRI-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226403272 535678870 /nfs/dbraw/zinc/67/88/70/535678870.db2.gz BFDMCUGFKJVUTR-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226403272 535678877 /nfs/dbraw/zinc/67/88/77/535678877.db2.gz BFDMCUGFKJVUTR-AXFHLTTASA-N 1 3 227.352 0.713 20 0 BCADHO CN1CCN(C(=O)NCCC[NH3+])CCC1(C)C ZINC000891985402 582752757 /nfs/dbraw/zinc/75/27/57/582752757.db2.gz BOZJNICGUJLGLK-UHFFFAOYSA-N 1 3 242.367 0.461 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@H]1CCC[NH2+]C1 ZINC000261535264 536344864 /nfs/dbraw/zinc/34/48/64/536344864.db2.gz XKSMTIDRQDKNKH-QWRGUYRKSA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCCNC1 ZINC000261535264 536344865 /nfs/dbraw/zinc/34/48/65/536344865.db2.gz XKSMTIDRQDKNKH-QWRGUYRKSA-N 1 3 227.352 0.300 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H]1CCCNC1 ZINC000261535264 536344866 /nfs/dbraw/zinc/34/48/66/536344866.db2.gz XKSMTIDRQDKNKH-QWRGUYRKSA-N 1 3 227.352 0.300 20 0 BCADHO C[NH2+][C@H](C)CNC(=O)N1CCN(C)CC[C@H]1C ZINC000335619752 536394825 /nfs/dbraw/zinc/39/48/25/536394825.db2.gz SJHXIKQXDUKOTC-GHMZBOCLSA-N 1 3 242.367 0.330 20 0 BCADHO O=C1OC[C@H]2CN(CC3CC[NH2+]CC3)CCN12 ZINC000497098682 534816925 /nfs/dbraw/zinc/81/69/25/534816925.db2.gz LVPWBFYQILJNSM-LLVKDONJSA-N 1 3 239.319 0.122 20 0 BCADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH3+])N(C)C ZINC000262543897 534897850 /nfs/dbraw/zinc/89/78/50/534897850.db2.gz YFDFDBCMHPWVHK-NXEZZACHSA-N 1 3 215.341 0.426 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000178966649 536467698 /nfs/dbraw/zinc/46/76/98/536467698.db2.gz ZWWFSXDKWTUSOU-LLVKDONJSA-N 1 3 227.352 0.395 20 0 BCADHO CCN(C)CC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000309032791 527802552 /nfs/dbraw/zinc/80/25/52/527802552.db2.gz FZFFEUOCBCYWMG-VXGBXAGGSA-N 1 3 213.369 0.868 20 0 BCADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494689350 527821934 /nfs/dbraw/zinc/82/19/34/527821934.db2.gz HAYQJJYSVAOWPC-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000494709762 528497235 /nfs/dbraw/zinc/49/72/35/528497235.db2.gz OOJADTDXJXTTOW-FIQHERPVSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000494699595 528500052 /nfs/dbraw/zinc/50/00/52/528500052.db2.gz QJVWSSFZILVPQR-YUSALJHKSA-N 1 3 239.363 0.569 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000494653039 528813482 /nfs/dbraw/zinc/81/34/82/528813482.db2.gz JZBDKNAAQBQKMK-NSHDSACASA-N 1 3 229.368 0.960 20 0 BCADHO CCOC(=O)N1CC[C@H](N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000496878522 529022410 /nfs/dbraw/zinc/02/24/10/529022410.db2.gz ZJBOAIDGZDWCPW-DCAQKATOSA-N 1 3 243.351 0.933 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178805656 534993954 /nfs/dbraw/zinc/99/39/54/534993954.db2.gz FEFLCSMZTJTAHP-LLVKDONJSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178407653 535047543 /nfs/dbraw/zinc/04/75/43/535047543.db2.gz RKRCBMRXAWPVBS-KOLCDFICSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N(C)C ZINC000227736150 535062710 /nfs/dbraw/zinc/06/27/10/535062710.db2.gz KTHMDRYNOXTKEM-LLVKDONJSA-N 1 3 229.368 0.770 20 0 BCADHO CC(C)(N)C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000335570094 535195310 /nfs/dbraw/zinc/19/53/10/535195310.db2.gz ZIKYPQHKOKBDNK-SNVBAGLBSA-N 1 3 233.315 0.640 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000261573411 535205896 /nfs/dbraw/zinc/20/58/96/535205896.db2.gz IUGVXTLMVKZRLZ-OPRDCNLKSA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCn1cncn1 ZINC000261535873 535308639 /nfs/dbraw/zinc/30/86/39/535308639.db2.gz PMZIMOXEEDTXHE-SNVBAGLBSA-N 1 3 211.313 0.241 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000347654725 535361669 /nfs/dbraw/zinc/36/16/69/535361669.db2.gz MHGYICLONDAWNK-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000176372710 535492126 /nfs/dbraw/zinc/49/21/26/535492126.db2.gz NTTWDMRWUZMXEP-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000252433433 535598518 /nfs/dbraw/zinc/59/85/18/535598518.db2.gz LSAZYPIATNNIAL-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000261536877 535654952 /nfs/dbraw/zinc/65/49/52/535654952.db2.gz UBTRAPXZOWBJSU-HTQZYQBOSA-N 1 3 201.314 0.213 20 0 BCADHO CC[C@@H](COC)[NH2+]CCOCCN(C)C ZINC000231786918 535761469 /nfs/dbraw/zinc/76/14/69/535761469.db2.gz SUFJRGNGIDWLNJ-NSHDSACASA-N 1 3 218.341 0.579 20 0 BCADHO CN(C)CCOc1cnccc1CNC(N)=[NH2+] ZINC000345207733 535916268 /nfs/dbraw/zinc/91/62/68/535916268.db2.gz VTGZXQNPLNVXGY-UHFFFAOYSA-N 1 3 237.307 0.005 20 0 BCADHO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000253009714 535978263 /nfs/dbraw/zinc/97/82/63/535978263.db2.gz BABLUMCRSHSHSG-GARJFASQSA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@H](CCO)[NH2+][C@H]1CCC[C@H]1CN ZINC000253020443 536098256 /nfs/dbraw/zinc/09/82/56/536098256.db2.gz JSJHVWVLQDSCIE-AXFHLTTASA-N 1 3 200.326 0.864 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000084420068 536138796 /nfs/dbraw/zinc/13/87/96/536138796.db2.gz LPRDYPCPWVKSST-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184190853 536139364 /nfs/dbraw/zinc/13/93/64/536139364.db2.gz OGTIIMSJFAOPIC-LBPRGKRZSA-N 1 3 235.331 0.711 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000178405557 536356090 /nfs/dbraw/zinc/35/60/90/536356090.db2.gz GDUUSLGEPDFXJU-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336004717 536358599 /nfs/dbraw/zinc/35/85/99/536358599.db2.gz QHOGWFSZBGYATF-RNFRBKRXSA-N 1 3 239.241 0.086 20 0 BCADHO C([NH2+]CC12CC(C1)CN2)[C@@H]1CCCOC1 ZINC000853245653 588728520 /nfs/dbraw/zinc/72/85/20/588728520.db2.gz AUKBTGUUPAYATP-UNXYVOJBSA-N 1 3 210.321 0.755 20 0 BCADHO COC(=O)N(C)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000854225872 588780670 /nfs/dbraw/zinc/78/06/70/588780670.db2.gz BBGYQUQPWIOEOD-GHMZBOCLSA-N 1 3 243.351 0.662 20 0 BCADHO C[NH2+]C[C@@H](C)NC1CCC2(CC1)OCCO2 ZINC000854232821 588781519 /nfs/dbraw/zinc/78/15/19/588781519.db2.gz UZEGEXYMIKZZSL-SNVBAGLBSA-N 1 3 228.336 0.870 20 0 BCADHO C[C@H](CC[N@H+](C)CCCO)N(C)CCCO ZINC000440943597 582497095 /nfs/dbraw/zinc/49/70/95/582497095.db2.gz ZBNSZOBWDKVHES-GFCCVEGCSA-N 1 3 232.368 0.393 20 0 BCADHO C[C@H](CC[N@@H+](C)CCCO)N(C)CCCO ZINC000440943597 582497097 /nfs/dbraw/zinc/49/70/97/582497097.db2.gz ZBNSZOBWDKVHES-GFCCVEGCSA-N 1 3 232.368 0.393 20 0 BCADHO CN(CC1CN(C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC000855642130 588843092 /nfs/dbraw/zinc/84/30/92/588843092.db2.gz UGTCWIPUPGDAJW-UHFFFAOYSA-N 1 3 239.363 0.491 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])N1CCC1 ZINC000848993214 582819619 /nfs/dbraw/zinc/81/96/19/582819619.db2.gz JPOKXPCYBBAGDD-UHFFFAOYSA-N 1 3 228.340 0.185 20 0 BCADHO C[N@@H+]1CCC[C@@H](CNc2ccncc2CO)C1 ZINC000892421924 582883494 /nfs/dbraw/zinc/88/34/94/582883494.db2.gz RDAATDCQLGGTAB-NSHDSACASA-N 1 3 235.331 0.750 20 0 BCADHO C[N@H+]1CCC[C@@H](CNc2ccncc2CO)C1 ZINC000892421924 582883496 /nfs/dbraw/zinc/88/34/96/582883496.db2.gz RDAATDCQLGGTAB-NSHDSACASA-N 1 3 235.331 0.750 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@H](C)COC(C)=O)C1 ZINC000892614507 582929855 /nfs/dbraw/zinc/92/98/55/582929855.db2.gz QWBAFPOKXFTCOO-PWSUYJOCSA-N 1 3 228.336 0.869 20 0 BCADHO CC(=O)OC[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000892947249 583016475 /nfs/dbraw/zinc/01/64/75/583016475.db2.gz ZZJKBSDDGKYXIP-ZYHUDNBSSA-N 1 3 228.336 0.869 20 0 BCADHO CC(=O)OC[C@@H](C)NC[C@H]1CCC[N@@H+](C)C1 ZINC000892947249 583016476 /nfs/dbraw/zinc/01/64/76/583016476.db2.gz ZZJKBSDDGKYXIP-ZYHUDNBSSA-N 1 3 228.336 0.869 20 0 BCADHO COc1ccc([C@@H]2CNCCN2CCC[NH3+])cc1 ZINC000147044841 583154446 /nfs/dbraw/zinc/15/44/46/583154446.db2.gz CWZIWNDUTOUPEW-AWEZNQCLSA-N 1 3 249.358 0.990 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000893888572 583243990 /nfs/dbraw/zinc/24/39/90/583243990.db2.gz KCDFASLAQIKBFM-OLZOCXBDSA-N 1 3 224.348 0.642 20 0 BCADHO CN1CCC(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000893888572 583243991 /nfs/dbraw/zinc/24/39/91/583243991.db2.gz KCDFASLAQIKBFM-OLZOCXBDSA-N 1 3 224.348 0.642 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877242996 583304960 /nfs/dbraw/zinc/30/49/60/583304960.db2.gz KHTREEAJRYFYES-MMWGEVLESA-N 1 3 225.336 0.228 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283749 583307082 /nfs/dbraw/zinc/30/70/82/583307082.db2.gz QRYAILNRFQDJGO-GARJFASQSA-N 1 3 237.347 0.337 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283751 583307469 /nfs/dbraw/zinc/30/74/69/583307469.db2.gz QRYAILNRFQDJGO-HBNTYKKESA-N 1 3 237.347 0.337 20 0 BCADHO C[NH+]1CCC(CN2CC[C@@](F)(CO)C2)CC1 ZINC000894279465 583407531 /nfs/dbraw/zinc/40/75/31/583407531.db2.gz DOLDOXANAHVJSM-LBPRGKRZSA-N 1 3 230.327 0.735 20 0 BCADHO CN1CCC(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000894585819 583489399 /nfs/dbraw/zinc/48/93/99/583489399.db2.gz QFMAWQYCLJOWNL-ITGUQSILSA-N 1 3 224.348 0.498 20 0 BCADHO CN1CCC(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000894585819 583489401 /nfs/dbraw/zinc/48/94/01/583489401.db2.gz QFMAWQYCLJOWNL-ITGUQSILSA-N 1 3 224.348 0.498 20 0 BCADHO CC(=O)N[C@@H]1CC[N@@H+](CC2CCN(C)CC2)C1 ZINC000894973553 583561749 /nfs/dbraw/zinc/56/17/49/583561749.db2.gz UMQUOSJBTUOCBM-CYBMUJFWSA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)N[C@@H]1CC[N@H+](CC2CCN(C)CC2)C1 ZINC000894973553 583561750 /nfs/dbraw/zinc/56/17/50/583561750.db2.gz UMQUOSJBTUOCBM-CYBMUJFWSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C[C@H](C)CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417799855 583612540 /nfs/dbraw/zinc/61/25/40/583612540.db2.gz RXIUWCZCXBQLAG-QWRGUYRKSA-N 1 3 241.379 0.736 20 0 BCADHO C[NH+]1CCC(CN2CCc3n[nH]nc3C2)CC1 ZINC000895473855 583679348 /nfs/dbraw/zinc/67/93/48/583679348.db2.gz SVDPKMUQLCVITF-UHFFFAOYSA-N 1 3 235.335 0.505 20 0 BCADHO CN1CCC(C[N@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000895538352 583687230 /nfs/dbraw/zinc/68/72/30/583687230.db2.gz IWKASKUTUZVNCJ-ZDUSSCGKSA-N 1 3 242.363 0.411 20 0 BCADHO CN1CCC(C[N@@H+](C)[C@]2(CO)CCOC2)CC1 ZINC000895538352 583687231 /nfs/dbraw/zinc/68/72/31/583687231.db2.gz IWKASKUTUZVNCJ-ZDUSSCGKSA-N 1 3 242.363 0.411 20 0 BCADHO CCn1nncc1CNCC1CC[NH+](C)CC1 ZINC000895545738 583689361 /nfs/dbraw/zinc/68/93/61/583689361.db2.gz ODPOKCGHMJIZTA-UHFFFAOYSA-N 1 3 237.351 0.729 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000872141059 583947818 /nfs/dbraw/zinc/94/78/18/583947818.db2.gz JLUAMZFODFUSIP-YVECIDJPSA-N 1 3 240.347 0.353 20 0 BCADHO O[C@@H]1COCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000872141059 583947819 /nfs/dbraw/zinc/94/78/19/583947819.db2.gz JLUAMZFODFUSIP-YVECIDJPSA-N 1 3 240.347 0.353 20 0 BCADHO C[C@@H](CNc1ccnc(CO)c1)[NH+](C)C ZINC000858363991 588948595 /nfs/dbraw/zinc/94/85/95/588948595.db2.gz BSELNNKIGMPNCF-VIFPVBQESA-N 1 3 209.293 0.936 20 0 BCADHO C[C@H](N[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1C[NH2+]C1 ZINC000873238623 584128083 /nfs/dbraw/zinc/12/80/83/584128083.db2.gz CTHBXYISQRAUDE-WNOCVFFISA-N 1 3 222.332 0.607 20 0 BCADHO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)C1CNC1 ZINC000873238623 584128085 /nfs/dbraw/zinc/12/80/85/584128085.db2.gz CTHBXYISQRAUDE-WNOCVFFISA-N 1 3 222.332 0.607 20 0 BCADHO C[C@H](N[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1C[NH2+]C1 ZINC000873238620 584128336 /nfs/dbraw/zinc/12/83/36/584128336.db2.gz CTHBXYISQRAUDE-SNAVQREJSA-N 1 3 222.332 0.607 20 0 BCADHO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C1CNC1 ZINC000873238620 584128337 /nfs/dbraw/zinc/12/83/37/584128337.db2.gz CTHBXYISQRAUDE-SNAVQREJSA-N 1 3 222.332 0.607 20 0 BCADHO C(=C1CNC1)c1cnn(CC2CC[NH2+]CC2)c1 ZINC000899328546 584197634 /nfs/dbraw/zinc/19/76/34/584197634.db2.gz VCRXYMYIFVHEDX-UHFFFAOYSA-N 1 3 232.331 0.869 20 0 BCADHO Cn1ncc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1CN ZINC000899328502 584197639 /nfs/dbraw/zinc/19/76/39/584197639.db2.gz UGWAQNMBVMMGST-ZJUUUORDSA-N 1 3 218.304 0.787 20 0 BCADHO C[C@H](N)c1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899742468 584235042 /nfs/dbraw/zinc/23/50/42/584235042.db2.gz XXJJYLBJHXLDMX-UWVGGRQHSA-N 1 3 223.324 0.688 20 0 BCADHO C[NH+]1CCC2(CCN2C[C@@H](O)C2CC2)CC1 ZINC000899909404 584249522 /nfs/dbraw/zinc/24/95/22/584249522.db2.gz BGPWIWWUYIDKBQ-GFCCVEGCSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC2(CC[N@@H+]2C[C@@H](O)C2CC2)CC1 ZINC000899909404 584249523 /nfs/dbraw/zinc/24/95/23/584249523.db2.gz BGPWIWWUYIDKBQ-GFCCVEGCSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC2(CC[N@H+]2C[C@@H](O)C2CC2)CC1 ZINC000899909404 584249525 /nfs/dbraw/zinc/24/95/25/584249525.db2.gz BGPWIWWUYIDKBQ-GFCCVEGCSA-N 1 3 224.348 0.927 20 0 BCADHO CCCOC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000858941914 588986653 /nfs/dbraw/zinc/98/66/53/588986653.db2.gz MNTJDVJAFMJNJE-UHFFFAOYSA-N 1 3 245.367 0.958 20 0 BCADHO CC(=O)NCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902337168 584565261 /nfs/dbraw/zinc/56/52/61/584565261.db2.gz ZDMXWDSCZGSJAU-GFCCVEGCSA-N 1 3 241.379 0.880 20 0 BCADHO C[C@@H](CO)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361245 584571873 /nfs/dbraw/zinc/57/18/73/584571873.db2.gz OXUYKRLBSYKCMA-VHSXEESVSA-N 1 3 200.326 0.735 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361474 584572541 /nfs/dbraw/zinc/57/25/41/584572541.db2.gz PPRBKVJSTBCABW-WCQYABFASA-N 1 3 244.379 0.752 20 0 BCADHO C[C@@H](CO)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902361242 584572775 /nfs/dbraw/zinc/57/27/75/584572775.db2.gz OXUYKRLBSYKCMA-UWVGGRQHSA-N 1 3 200.326 0.735 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2CNCCO2)C1 ZINC000902394298 584584116 /nfs/dbraw/zinc/58/41/16/584584116.db2.gz UPPZYNJZCZDJJC-RYUDHWBXSA-N 1 3 241.379 0.343 20 0 BCADHO C[C@@H](NCC1([NH3+])CC1)C(C)(C)n1cncn1 ZINC000902404202 584588823 /nfs/dbraw/zinc/58/88/23/584588823.db2.gz CTSRTUCLRFGXJT-SECBINFHSA-N 1 3 223.324 0.483 20 0 BCADHO C[C@@H]1C[C@H]([NH2+]CC2(N)CC2)CN1C1CC1 ZINC000902415583 584589739 /nfs/dbraw/zinc/58/97/39/584589739.db2.gz JILNTKMGHPVPGA-ZJUUUORDSA-N 1 3 209.337 0.693 20 0 BCADHO C[C@@H]1C[C@H](NCC2([NH3+])CC2)CN1C1CC1 ZINC000902415583 584589740 /nfs/dbraw/zinc/58/97/40/584589740.db2.gz JILNTKMGHPVPGA-ZJUUUORDSA-N 1 3 209.337 0.693 20 0 BCADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCON ZINC000902417690 584590962 /nfs/dbraw/zinc/59/09/62/584590962.db2.gz YQTHWKMJIDGLTP-UWVGGRQHSA-N 1 3 201.314 0.245 20 0 BCADHO CC1(C)CNCC[C@H]([NH2+]CCCON)C1 ZINC000902414825 584600761 /nfs/dbraw/zinc/60/07/61/584600761.db2.gz DCWZYJUBWAEFEH-JTQLQIEISA-N 1 3 215.341 0.635 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@H]1C[NH2+]CC1(C)C ZINC000902451323 584606659 /nfs/dbraw/zinc/60/66/59/584606659.db2.gz WKKZGSJDROUPKC-VWYCJHECSA-N 1 3 211.353 0.524 20 0 BCADHO C[C@@H](NCCN1CCC(C)(C)C1)C1C[NH2+]C1 ZINC000902455105 584609255 /nfs/dbraw/zinc/60/92/55/584609255.db2.gz IVBLSBYTFKBULT-LLVKDONJSA-N 1 3 225.380 0.916 20 0 BCADHO CN1CCC(N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902464679 584613114 /nfs/dbraw/zinc/61/31/14/584613114.db2.gz BDWQMRZLTBCYIU-QJPTWQEYSA-N 1 3 209.337 0.563 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](O)C1CC1 ZINC000902503865 584621562 /nfs/dbraw/zinc/62/15/62/584621562.db2.gz LNELKRDVMABIFV-QJPTWQEYSA-N 1 3 212.337 0.864 20 0 BCADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1cnn(C)c1 ZINC000902486915 584625715 /nfs/dbraw/zinc/62/57/15/584625715.db2.gz IELLNHKGMHLOMU-QXEWZRGKSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@H](N[C@H]1C[C@H](C[NH3+])C1)c1ccn(C)n1 ZINC000902486969 584625877 /nfs/dbraw/zinc/62/58/77/584625877.db2.gz IEOPIVHMXFCXCG-GUBZILKMSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@H](CN[C@H]1CCO[C@@]12CCOC2)C[NH+](C)C ZINC000903174917 584732567 /nfs/dbraw/zinc/73/25/67/584732567.db2.gz PCQOAVXWYSIPCX-FRRDWIJNSA-N 1 3 242.363 0.722 20 0 BCADHO CON1CC[C@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000903450323 584772058 /nfs/dbraw/zinc/77/20/58/584772058.db2.gz UDKYMXYGYXTGSF-QWRGUYRKSA-N 1 3 241.335 0.210 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](C)N(C)C[C@@H]1C ZINC000903455553 584774185 /nfs/dbraw/zinc/77/41/85/584774185.db2.gz ZTLUOGGIQYTYTJ-NDBYEHHHSA-N 1 3 225.380 0.866 20 0 BCADHO COC[C@H]1CN(C[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000903456690 584774201 /nfs/dbraw/zinc/77/42/01/584774201.db2.gz IXWFPKSULUJNRC-QNWHQSFQSA-N 1 3 242.363 0.850 20 0 BCADHO F[C@@H]1CN[C@H](CN[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903471472 584775204 /nfs/dbraw/zinc/77/52/04/584775204.db2.gz JOXPCUMWVNFELI-GARJFASQSA-N 1 3 227.327 0.561 20 0 BCADHO CC(C)C[C@@H](C(N)=O)N(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903481686 584778112 /nfs/dbraw/zinc/77/81/12/584778112.db2.gz JVAZGKGDTQTQNC-WOPDTQHZSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903717270 584792410 /nfs/dbraw/zinc/79/24/10/584792410.db2.gz MCBKLJQNNCPGRI-RVMXOQNASA-N 1 3 242.363 0.753 20 0 BCADHO CO[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903731801 584792696 /nfs/dbraw/zinc/79/26/96/584792696.db2.gz CRXQWCKDSUGDSR-UPJWGTAASA-N 1 3 240.347 0.476 20 0 BCADHO CN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CCOC1 ZINC000903729719 584792984 /nfs/dbraw/zinc/79/29/84/584792984.db2.gz RHFQPHXWUQSNFW-AGIUHOORSA-N 1 3 240.347 0.476 20 0 BCADHO CO[C@@H]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903731794 584793252 /nfs/dbraw/zinc/79/32/52/584793252.db2.gz CRXQWCKDSUGDSR-FRRDWIJNSA-N 1 3 240.347 0.476 20 0 BCADHO NCC(C[NH3+])NCc1ccccc1CF ZINC000903748947 584794611 /nfs/dbraw/zinc/79/46/11/584794611.db2.gz DRZAHQRIVFGYOR-UHFFFAOYSA-N 1 3 211.284 0.532 20 0 BCADHO [NH3+][C@@H]1CCCC[C@H]1NC[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903763211 584797401 /nfs/dbraw/zinc/79/74/01/584797401.db2.gz INCXSWXBEPAWSJ-KIJLLGNVSA-N 1 3 240.347 0.650 20 0 BCADHO OC[C@H]1CCCN1C[C@H]1CCCC[NH2+]C1 ZINC000903785488 584800206 /nfs/dbraw/zinc/80/02/06/584800206.db2.gz ZABCUYBIUKSADP-NWDGAFQWSA-N 1 3 212.337 0.833 20 0 BCADHO C[C@@H](O)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819913 584803237 /nfs/dbraw/zinc/80/32/37/584803237.db2.gz QCESVXVHSVMBSX-LLVKDONJSA-N 1 3 228.336 0.212 20 0 BCADHO C[C@]12C[N@@H+]([C@H]3C[C@H](N)C[C@@H]3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827166 584805129 /nfs/dbraw/zinc/80/51/29/584805129.db2.gz PNOQSCQFTVFWKU-NIWXFNQGSA-N 1 3 248.370 0.981 20 0 BCADHO C[C@]12C[N@H+]([C@H]3C[C@H](N)C[C@@H]3O)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000903827166 584805131 /nfs/dbraw/zinc/80/51/31/584805131.db2.gz PNOQSCQFTVFWKU-NIWXFNQGSA-N 1 3 248.370 0.981 20 0 BCADHO CO[C@@H]1CC[C@H]1N(C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000903829599 584805473 /nfs/dbraw/zinc/80/54/73/584805473.db2.gz IDNPGNGKQBRHPT-QJPTWQEYSA-N 1 3 240.347 0.474 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCOC[C@@H]2CCO)C1 ZINC000903830195 584805767 /nfs/dbraw/zinc/80/57/67/584805767.db2.gz VWUZOLPOGUVWRE-TUAOUCFPSA-N 1 3 228.336 0.197 20 0 BCADHO C[C@@H]1CCOCCN1CCN1CC[NH2+]CC1 ZINC000903831325 584805774 /nfs/dbraw/zinc/80/57/74/584805774.db2.gz IFCLWJUEOUENPL-GFCCVEGCSA-N 1 3 227.352 0.002 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCOC[C@H]2CCO)C1 ZINC000903830194 584805831 /nfs/dbraw/zinc/80/58/31/584805831.db2.gz VWUZOLPOGUVWRE-QJPTWQEYSA-N 1 3 228.336 0.197 20 0 BCADHO CCOCCOCC[N@@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903864714 584813411 /nfs/dbraw/zinc/81/34/11/584813411.db2.gz VZKZRNFIILGTTO-QWHCGFSZSA-N 1 3 242.363 0.853 20 0 BCADHO CCOCCOCC[N@H+]1CC[C@@H]2CC[C@@]21CN ZINC000903864714 584813412 /nfs/dbraw/zinc/81/34/12/584813412.db2.gz VZKZRNFIILGTTO-QWHCGFSZSA-N 1 3 242.363 0.853 20 0 BCADHO CCN(C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879353 584817165 /nfs/dbraw/zinc/81/71/65/584817165.db2.gz ZGNFAKNHJCSBDD-LLVKDONJSA-N 1 3 224.352 0.798 20 0 BCADHO CC[N@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903879353 584817166 /nfs/dbraw/zinc/81/71/66/584817166.db2.gz ZGNFAKNHJCSBDD-LLVKDONJSA-N 1 3 224.352 0.798 20 0 BCADHO CC[N@@H+](C)C[C@@H](CN)Cc1cnn(C)c1C ZINC000903879353 584817168 /nfs/dbraw/zinc/81/71/68/584817168.db2.gz ZGNFAKNHJCSBDD-LLVKDONJSA-N 1 3 224.352 0.798 20 0 BCADHO CC[C@@H]1C(=O)NCCCN1CC[C@@H]1CC[NH2+]C1 ZINC000903882575 584818598 /nfs/dbraw/zinc/81/85/98/584818598.db2.gz OFNCKWUQBYERRL-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO COCC(C)(C)NC[C@H]([NH3+])CC(F)F ZINC000903899778 584820446 /nfs/dbraw/zinc/82/04/46/584820446.db2.gz UXBHPWLXVZKPHI-SSDOTTSWSA-N 1 3 210.268 0.984 20 0 BCADHO C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@H](C)CN1C ZINC000903908196 584821814 /nfs/dbraw/zinc/82/18/14/584821814.db2.gz FUSQNSIKRWWQDZ-BBBLOLIVSA-N 1 3 235.322 0.993 20 0 BCADHO COC(=O)C1(CNC[C@H]([NH3+])CC(F)F)CC1 ZINC000903925886 584823847 /nfs/dbraw/zinc/82/38/47/584823847.db2.gz IQSSCKCYKIYFNB-SSDOTTSWSA-N 1 3 236.262 0.512 20 0 BCADHO N[C@@H](C[NH2+][C@H]1CC(=O)N(C2CC2)C1)CC(F)F ZINC000903928139 584824554 /nfs/dbraw/zinc/82/45/54/584824554.db2.gz WCLHSPWCSGLWES-SFYZADRCSA-N 1 3 247.289 0.322 20 0 BCADHO COC[C@@H]([NH2+]C1CCNCC1)[C@@H]1CCCOC1 ZINC000903960168 584827389 /nfs/dbraw/zinc/82/73/89/584827389.db2.gz YDESOCUDDZHSJX-DGCLKSJQSA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@@H](NC1CC[NH2+]CC1)[C@@H]1CCCOC1 ZINC000903960168 584827391 /nfs/dbraw/zinc/82/73/91/584827391.db2.gz YDESOCUDDZHSJX-DGCLKSJQSA-N 1 3 242.363 0.770 20 0 BCADHO C[C@@H]1C[C@@H](CN2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951351 584830673 /nfs/dbraw/zinc/83/06/73/584830673.db2.gz WPGQUQMRBSIZJC-NEPJUHHUSA-N 1 3 249.362 0.872 20 0 BCADHO Nc1ccnc(CNC[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000903953122 584831626 /nfs/dbraw/zinc/83/16/26/584831626.db2.gz AFRGAYBARZQEOB-SKDRFNHKSA-N 1 3 218.304 0.363 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cn(C)nn1 ZINC000903974140 584832753 /nfs/dbraw/zinc/83/27/53/584832753.db2.gz JYHGOKXUKMDPLL-NXEZZACHSA-N 1 3 223.324 0.150 20 0 BCADHO COC(=O)C1CCC([NH2+][C@@H]2CNC[C@H]2C)CC1 ZINC000903964693 584834278 /nfs/dbraw/zinc/83/42/78/584834278.db2.gz SWHKQSNCYQPMGU-HBIQZDMRSA-N 1 3 240.347 0.916 20 0 BCADHO Cc1cn[nH]c1CNC[C@@H]1C[NH2+]C[C@H]1C ZINC000903967997 584834994 /nfs/dbraw/zinc/83/49/94/584834994.db2.gz OLQRQIGVKULAJY-SCZZXKLOSA-N 1 3 208.309 0.663 20 0 BCADHO CN(Cc1ccc(N)nn1)C1CCC([NH3+])CC1 ZINC000904301285 584861566 /nfs/dbraw/zinc/86/15/66/584861566.db2.gz JPZLKCZEKVGVKK-UHFFFAOYSA-N 1 3 235.335 0.761 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CC(=O)N[C@H]3CCCC[C@@H]32)C1 ZINC000904314431 584863392 /nfs/dbraw/zinc/86/33/92/584863392.db2.gz XDGGQVVDYRGWDZ-USZNOCQGSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CC(=O)N[C@H]3CCCC[C@H]32)C1 ZINC000904314432 584863652 /nfs/dbraw/zinc/86/36/52/584863652.db2.gz XDGGQVVDYRGWDZ-WHOHXGKFSA-N 1 3 237.347 0.467 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN(CCO)Cc2cccnc2)C1 ZINC000904316594 584864208 /nfs/dbraw/zinc/86/42/08/584864208.db2.gz QIMNWWFOFIDHPH-BETUJISGSA-N 1 3 235.331 0.613 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904327017 584865127 /nfs/dbraw/zinc/86/51/27/584865127.db2.gz XAFSXECOFIQRFC-WCQYABFASA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@@H](C)C[N@H+](C)C[C@]1(C)CCCNC1 ZINC000904327017 584865129 /nfs/dbraw/zinc/86/51/29/584865129.db2.gz XAFSXECOFIQRFC-WCQYABFASA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000904327017 584865131 /nfs/dbraw/zinc/86/51/31/584865131.db2.gz XAFSXECOFIQRFC-WCQYABFASA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904327018 584865182 /nfs/dbraw/zinc/86/51/82/584865182.db2.gz XAFSXECOFIQRFC-YPMHNXCESA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@H](C)C[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000904327018 584865184 /nfs/dbraw/zinc/86/51/84/584865184.db2.gz XAFSXECOFIQRFC-YPMHNXCESA-N 1 3 241.379 0.690 20 0 BCADHO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000904327018 584865185 /nfs/dbraw/zinc/86/51/85/584865185.db2.gz XAFSXECOFIQRFC-YPMHNXCESA-N 1 3 241.379 0.690 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000904328432 584865356 /nfs/dbraw/zinc/86/53/56/584865356.db2.gz OPDJIASKRCDTBN-QNWHQSFQSA-N 1 3 240.347 0.604 20 0 BCADHO CC(=O)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)C(C)(C)C1 ZINC000904329681 584866026 /nfs/dbraw/zinc/86/60/26/584866026.db2.gz QLEKFDKUVIUQEO-TXEJJXNPSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCC[C@@]23CCOC3=O)C1 ZINC000904348257 584868499 /nfs/dbraw/zinc/86/84/99/584868499.db2.gz OMFVSZSHQKRFPY-UMNHJUIQSA-N 1 3 224.304 0.505 20 0 BCADHO Nc1ccc(CNC[C@H]2CC[C@H](C[NH3+])CC2)nn1 ZINC000904354205 584870296 /nfs/dbraw/zinc/87/02/96/584870296.db2.gz CWMATPCNAVNNHH-XYPYZODXSA-N 1 3 249.362 0.914 20 0 BCADHO Nc1ccc(CN[C@@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC000904354835 584870681 /nfs/dbraw/zinc/87/06/81/584870681.db2.gz JNOYYZNXJYQWFO-RKDXNWHRSA-N 1 3 221.308 0.276 20 0 BCADHO [NH3+]CC1CC(N[C@@H]2CNCCC2(F)F)C1 ZINC000904355514 584871433 /nfs/dbraw/zinc/87/14/33/584871433.db2.gz SYDZOXROIRQVSW-AMDVSUOASA-N 1 3 219.279 0.311 20 0 BCADHO CCN(C)C(=O)[C@H](C)NC1CC(C[NH3+])C1 ZINC000904367619 584872563 /nfs/dbraw/zinc/87/25/63/584872563.db2.gz AMDHDNZZLBOGSC-IDKOKCKLSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](O)CN1CCN(C[C@H]2C[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000904368653 584872820 /nfs/dbraw/zinc/87/28/20/584872820.db2.gz LRSVQTZYQMNVRL-QNWHQSFQSA-N 1 3 241.379 0.111 20 0 BCADHO Cc1cc(CNC2CCN(CC[NH3+])CC2)on1 ZINC000904368462 584872927 /nfs/dbraw/zinc/87/29/27/584872927.db2.gz RUCIMBLVKKYHSK-UHFFFAOYSA-N 1 3 238.335 0.496 20 0 BCADHO CC(C)(C)CC[C@H]([NH3+])CNC[C@@H]1CNCCO1 ZINC000904372170 584873043 /nfs/dbraw/zinc/87/30/43/584873043.db2.gz ZAPIMMBLQLKXGI-RYUDHWBXSA-N 1 3 243.395 0.718 20 0 BCADHO Nc1ncc(CN2CC[C@@H](CC[NH3+])C2)s1 ZINC000904407273 584879027 /nfs/dbraw/zinc/87/90/27/584879027.db2.gz SCKSREYESREWAC-MRVPVSSYSA-N 1 3 226.349 0.896 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1C ZINC000876831776 584887604 /nfs/dbraw/zinc/88/76/04/584887604.db2.gz KATLHFNFMJPNSF-FIQHERPVSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877106041 584890196 /nfs/dbraw/zinc/89/01/96/584890196.db2.gz OSGUMBKDFMXROQ-NXEZZACHSA-N 1 3 215.341 0.556 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 ZINC000884027379 584901877 /nfs/dbraw/zinc/90/18/77/584901877.db2.gz AAQIVUFNCJAZHJ-MNOVXSKESA-N 1 3 225.336 0.182 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884027381 584901992 /nfs/dbraw/zinc/90/19/92/584901992.db2.gz AAQIVUFNCJAZHJ-WDEREUQCSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H](N)C1CCC1 ZINC000831970517 584911115 /nfs/dbraw/zinc/91/11/15/584911115.db2.gz ICJXSLMNGWSITC-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H](N)C1CCC1 ZINC000831970517 584911116 /nfs/dbraw/zinc/91/11/16/584911116.db2.gz ICJXSLMNGWSITC-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CC[C@H]1[NH3+] ZINC000884033784 584938491 /nfs/dbraw/zinc/93/84/91/584938491.db2.gz SZJXGSMZWSTLLT-IEBDPFPHSA-N 1 3 225.336 0.310 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H](N)CC2CC2)CC[C@H]1[NH3+] ZINC000884033783 584938581 /nfs/dbraw/zinc/93/85/81/584938581.db2.gz SZJXGSMZWSTLLT-FBIMIBRVSA-N 1 3 225.336 0.310 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884043377 584940328 /nfs/dbraw/zinc/94/03/28/584940328.db2.gz UUGWBTIOBPXFGB-WDEREUQCSA-N 1 3 227.352 0.748 20 0 BCADHO COC[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000361891275 584948557 /nfs/dbraw/zinc/94/85/57/584948557.db2.gz HBXNBRCUPSFNDS-GFCCVEGCSA-N 1 3 242.363 0.458 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884359287 584951387 /nfs/dbraw/zinc/95/13/87/584951387.db2.gz HBVKBUWXDKBMOQ-SFGNSQDASA-N 1 3 225.336 0.369 20 0 BCADHO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N)n1 ZINC000742415272 585126183 /nfs/dbraw/zinc/12/61/83/585126183.db2.gz AYTWLWTWTLNNNH-NSHDSACASA-N 1 3 245.330 0.818 20 0 BCADHO CN(C)C1(C(=O)NCCCC[NH+](C)C)CCC1 ZINC000763043452 585442183 /nfs/dbraw/zinc/44/21/83/585442183.db2.gz HFSZYVHBQIMLDN-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CN(CCF)CCN(C)C1CC[NH+](C)CC1 ZINC000774730272 585664441 /nfs/dbraw/zinc/66/44/41/585664441.db2.gz OMFQBTAIHYVXBG-UHFFFAOYSA-N 1 3 231.359 0.914 20 0 BCADHO CN(CC1CC[NH+](C)CC1)Cn1cnnc1 ZINC000776759182 585704196 /nfs/dbraw/zinc/70/41/96/585704196.db2.gz ZVLHAQDPBQJQKG-UHFFFAOYSA-N 1 3 223.324 0.509 20 0 BCADHO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc(N)n1 ZINC000785836788 585881758 /nfs/dbraw/zinc/88/17/58/585881758.db2.gz GFJFGWLPPMNALB-NXEZZACHSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc(N)n1 ZINC000785836788 585881759 /nfs/dbraw/zinc/88/17/59/585881759.db2.gz GFJFGWLPPMNALB-NXEZZACHSA-N 1 3 235.335 0.896 20 0 BCADHO Cc1cc(N2C[C@@H](C)N(C)C[C@H]2C)nc(N)[nH+]1 ZINC000785836788 585881760 /nfs/dbraw/zinc/88/17/60/585881760.db2.gz GFJFGWLPPMNALB-NXEZZACHSA-N 1 3 235.335 0.896 20 0 BCADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(C)C1 ZINC000817890314 586832362 /nfs/dbraw/zinc/83/23/62/586832362.db2.gz RTRNBQWFCPFDKG-GRYCIOLGSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@@H](N[C@@H]1CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000817890757 586832528 /nfs/dbraw/zinc/83/25/28/586832528.db2.gz YMMVWWHRWSOOEM-IJLUTSLNSA-N 1 3 211.353 0.811 20 0 BCADHO CC(C)C[C@H](O)CN[C@@H]1CCC[C@H]1[NH3+] ZINC000817906362 586837608 /nfs/dbraw/zinc/83/76/08/586837608.db2.gz YQEXRAIZUIPZJI-HBNTYKKESA-N 1 3 200.326 0.863 20 0 BCADHO CN(C(=O)CNC1CC1)C1CCC([NH3+])CC1 ZINC000818528736 586897963 /nfs/dbraw/zinc/89/79/63/586897963.db2.gz IICSZHLSTSDEMO-UHFFFAOYSA-N 1 3 225.336 0.467 20 0 BCADHO CCNCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000818559698 586900773 /nfs/dbraw/zinc/90/07/73/586900773.db2.gz IPSBYJRKIOAERR-UHFFFAOYSA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818565126 586901824 /nfs/dbraw/zinc/90/18/24/586901824.db2.gz PIZHLBZDYJMJBC-GXFFZTMASA-N 1 3 247.342 0.955 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(CN)c2)C1 ZINC000818565128 586902292 /nfs/dbraw/zinc/90/22/92/586902292.db2.gz PIZHLBZDYJMJBC-MFKMUULPSA-N 1 3 247.342 0.955 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000818594478 586904962 /nfs/dbraw/zinc/90/49/62/586904962.db2.gz HRWVPDMMRQEJGE-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@]1(F)CCNC1 ZINC000830171733 587540205 /nfs/dbraw/zinc/54/02/05/587540205.db2.gz VKOCWGZBEGZLAW-NSHDSACASA-N 1 3 231.315 0.192 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@]1(F)CCNC1)C1CC1 ZINC000831860500 587634765 /nfs/dbraw/zinc/63/47/65/587634765.db2.gz VAOUFIKLVUJUOP-PWSUYJOCSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCCN1CCC[C@H]1C ZINC000831970496 587639896 /nfs/dbraw/zinc/63/98/96/587639896.db2.gz HKTOYUYZSLSCDS-NXEZZACHSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000831970263 587640664 /nfs/dbraw/zinc/64/06/64/587640664.db2.gz BDRQPXUHIKFDKW-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H](N)CC(F)F ZINC000831970395 587640676 /nfs/dbraw/zinc/64/06/76/587640676.db2.gz FYXCRZLRRPBKLA-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H](N)CC(F)F ZINC000831970395 587640677 /nfs/dbraw/zinc/64/06/77/587640677.db2.gz FYXCRZLRRPBKLA-BDAKNGLRSA-N 1 3 249.305 0.569 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)CC1([NH3+])CCC1 ZINC000831970405 587640702 /nfs/dbraw/zinc/64/07/02/587640702.db2.gz GBNZTTYDJVUGJF-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000831970414 587640844 /nfs/dbraw/zinc/64/08/44/587640844.db2.gz GKVCSWDILXEXLW-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCC[C@H]1C ZINC000831971473 587640890 /nfs/dbraw/zinc/64/08/90/587640890.db2.gz YLIAGCPZPZNXIH-NXEZZACHSA-N 1 3 213.325 0.324 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@]1(F)CCNC1 ZINC000831992509 587641749 /nfs/dbraw/zinc/64/17/49/587641749.db2.gz FKWVVZRONRASHF-GFCCVEGCSA-N 1 3 245.342 0.488 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@]1(F)CCNC1 ZINC000831992510 587641782 /nfs/dbraw/zinc/64/17/82/587641782.db2.gz FKWVVZRONRASHF-LBPRGKRZSA-N 1 3 245.342 0.488 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000832135906 587646081 /nfs/dbraw/zinc/64/60/81/587646081.db2.gz UFUHQKVLJDLSPG-JQWIXIFHSA-N 1 3 243.326 0.098 20 0 BCADHO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000832135904 587646099 /nfs/dbraw/zinc/64/60/99/587646099.db2.gz UFUHQKVLJDLSPG-CMPLNLGQSA-N 1 3 243.326 0.098 20 0 BCADHO CCCCCCN(C)CC(=O)NCC[NH3+] ZINC000832204728 587650094 /nfs/dbraw/zinc/65/00/94/587650094.db2.gz HTVHJONNDICQAQ-UHFFFAOYSA-N 1 3 215.341 0.573 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000832829344 587692881 /nfs/dbraw/zinc/69/28/81/587692881.db2.gz QMOVPPXTJRDWFM-GRZMOONWSA-N 1 3 239.363 0.855 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)c1cccc(CN)c1 ZINC000834341412 587752628 /nfs/dbraw/zinc/75/26/28/587752628.db2.gz UCWFSDMXIUXSQK-SECBINFHSA-N 1 3 221.304 0.470 20 0 BCADHO CC(C)(N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448740 587755363 /nfs/dbraw/zinc/75/53/63/587755363.db2.gz WSNKHRQVICDWNM-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000834582552 587759967 /nfs/dbraw/zinc/75/99/67/587759967.db2.gz SDAMUXYXMVTDTL-UWVGGRQHSA-N 1 3 225.336 0.385 20 0 BCADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[NH3+] ZINC000834610910 587760866 /nfs/dbraw/zinc/76/08/66/587760866.db2.gz SQVCFGHUPQDBQJ-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN)c1 ZINC000834642170 587762655 /nfs/dbraw/zinc/76/26/55/587762655.db2.gz PXEXUGKHAHVKCF-GWCFXTLKSA-N 1 3 247.342 0.873 20 0 BCADHO CC1([C@H]2CCCN(CCC[NH3+])C2)OCCO1 ZINC000841011430 587935298 /nfs/dbraw/zinc/93/52/98/587935298.db2.gz IHPLIQLFDUZPRO-NSHDSACASA-N 1 3 228.336 0.810 20 0 BCADHO CC1([C@H]2CCC[N@H+](CCCN)C2)OCCO1 ZINC000841011430 587935299 /nfs/dbraw/zinc/93/52/99/587935299.db2.gz IHPLIQLFDUZPRO-NSHDSACASA-N 1 3 228.336 0.810 20 0 BCADHO CC1([C@H]2CCC[N@@H+](CCCN)C2)OCCO1 ZINC000841011430 587935301 /nfs/dbraw/zinc/93/53/01/587935301.db2.gz IHPLIQLFDUZPRO-NSHDSACASA-N 1 3 228.336 0.810 20 0 BCADHO [NH3+]CCCNc1ccc2c(c1)CNCCO2 ZINC000841083865 587945735 /nfs/dbraw/zinc/94/57/35/587945735.db2.gz ZADPRDJRFXFGBE-UHFFFAOYSA-N 1 3 221.304 0.929 20 0 BCADHO [NH3+]Cc1cccc(NC(=O)[C@]2(F)CCNC2)c1 ZINC000841845334 587977110 /nfs/dbraw/zinc/97/71/10/587977110.db2.gz SCCKRNRGUUWAIO-LBPRGKRZSA-N 1 3 237.278 0.785 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846168 587977381 /nfs/dbraw/zinc/97/73/81/587977381.db2.gz OYKLVTHYSIMEFN-CYBMUJFWSA-N 1 3 249.358 0.787 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000841849146 587978017 /nfs/dbraw/zinc/97/80/17/587978017.db2.gz WRMMUPWADRVLIT-JTQLQIEISA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000841851803 587978485 /nfs/dbraw/zinc/97/84/85/587978485.db2.gz XXJVCQKCBQRKEP-CMPLNLGQSA-N 1 3 243.326 0.418 20 0 BCADHO CN(CC[C@H]1CC[NH2+]C1)[C@@H]1CCCCNC1=O ZINC000842471861 588029298 /nfs/dbraw/zinc/02/92/98/588029298.db2.gz DJBUUVXTCRHWPN-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO [NH3+]CCCCCCC(=O)NC[C@@H]1CNCCO1 ZINC000842508529 588031777 /nfs/dbraw/zinc/03/17/77/588031777.db2.gz AMVQWEHMKWPJSH-NSHDSACASA-N 1 3 243.351 0.000 20 0 BCADHO [NH3+]CCCCCCC(=O)NC[C@H]1CNCCO1 ZINC000842508528 588031997 /nfs/dbraw/zinc/03/19/97/588031997.db2.gz AMVQWEHMKWPJSH-LLVKDONJSA-N 1 3 243.351 0.000 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842513090 588032204 /nfs/dbraw/zinc/03/22/04/588032204.db2.gz RSQXWQJAACEYRS-YPMHNXCESA-N 1 3 239.363 0.714 20 0 BCADHO Cn1nncc1CNCCCCCC[NH3+] ZINC000843126235 588084690 /nfs/dbraw/zinc/08/46/90/588084690.db2.gz DVQRXJRNEVEULA-UHFFFAOYSA-N 1 3 211.313 0.424 20 0 BCADHO CCNCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843452733 588111804 /nfs/dbraw/zinc/11/18/04/588111804.db2.gz XIXPCWZGBOQKKD-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO CCNCC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843452622 588111975 /nfs/dbraw/zinc/11/19/75/588111975.db2.gz UPFIJDLJLJWSQQ-GFCCVEGCSA-N 1 3 239.363 0.587 20 0 BCADHO CCNCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843476200 588113823 /nfs/dbraw/zinc/11/38/23/588113823.db2.gz CQABLQCRQHIDQL-LBPRGKRZSA-N 1 3 225.336 0.198 20 0 BCADHO CCNCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000843498893 588116246 /nfs/dbraw/zinc/11/62/46/588116246.db2.gz VRXNUGQGKIMIBV-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO CSCC[C@@H](N)C(=O)NCCCCCC[NH3+] ZINC000843505705 588117289 /nfs/dbraw/zinc/11/72/89/588117289.db2.gz JJUBYRGOGBKPCN-SNVBAGLBSA-N 1 3 247.408 0.702 20 0 BCADHO CC[NH2+]CC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000844178064 588171866 /nfs/dbraw/zinc/17/18/66/588171866.db2.gz JOEUEUPFENEAJL-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC[NH2+]CC(=O)NC[C@H]1CCCCN1CC ZINC000844180638 588172432 /nfs/dbraw/zinc/17/24/32/588172432.db2.gz IRXRCDCFDWIPRU-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO CC[NH2+]CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000844190511 588172907 /nfs/dbraw/zinc/17/29/07/588172907.db2.gz JFHGSKQBXWEJDG-UWVGGRQHSA-N 1 3 225.336 0.337 20 0 BCADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000848432784 588384424 /nfs/dbraw/zinc/38/44/24/588384424.db2.gz RWHJMIVTRMOGIL-MNOVXSKESA-N 1 3 239.363 0.666 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000848461128 588386275 /nfs/dbraw/zinc/38/62/75/588386275.db2.gz VTCPJRRBUGPMHD-ZJUUUORDSA-N 1 3 213.325 0.195 20 0 BCADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848720949 588408427 /nfs/dbraw/zinc/40/84/27/588408427.db2.gz FNCVICHUNBXJAW-GMTAPVOTSA-N 1 3 239.319 0.439 20 0 BCADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000848718715 588408565 /nfs/dbraw/zinc/40/85/65/588408565.db2.gz QCBMHDNGKGFCQO-IJLUTSLNSA-N 1 3 238.335 0.313 20 0 BCADHO COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)N1CCCC1 ZINC000848986537 588425580 /nfs/dbraw/zinc/42/55/80/588425580.db2.gz CYCYAPQVLHVEOA-GHMZBOCLSA-N 1 3 242.367 0.620 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)NC1CCC1 ZINC000848995468 588428532 /nfs/dbraw/zinc/42/85/32/588428532.db2.gz ZMJTUZRJYNVNCP-UHFFFAOYSA-N 1 3 233.319 0.582 20 0 BCADHO CC[C@@H](C)NC(=[NH2+])NCCNc1ccncc1 ZINC000848995214 588428762 /nfs/dbraw/zinc/42/87/62/588428762.db2.gz GVGHWAVKBBWHMW-SNVBAGLBSA-N 1 3 235.335 0.828 20 0 BCADHO [NH2+]=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC1 ZINC000849000278 588430412 /nfs/dbraw/zinc/43/04/12/588430412.db2.gz OVUYXZNHPFQZQK-GHMZBOCLSA-N 1 3 238.335 0.080 20 0 BCADHO CCCN1CCC[C@H]1CNC(=[NH2+])N(C)C ZINC000849028052 588441371 /nfs/dbraw/zinc/44/13/71/588441371.db2.gz ZWALYYLXNQMNGG-JTQLQIEISA-N 1 3 212.341 0.947 20 0 BCADHO C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)CN(C)C ZINC000849030820 588442607 /nfs/dbraw/zinc/44/26/07/588442607.db2.gz YEWQQFVSWBTXGE-GHMZBOCLSA-N 1 3 242.367 0.429 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)CC[NH2+]C)C1 ZINC000851676744 588614530 /nfs/dbraw/zinc/61/45/30/588614530.db2.gz MHHJNKSVJAMIOA-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO NC[C@@H]1CC(C(=O)Nc2cccc(C[NH3+])c2)=NO1 ZINC000852789539 588702784 /nfs/dbraw/zinc/70/27/84/588702784.db2.gz BHMRJGVVARMPCP-JTQLQIEISA-N 1 3 248.286 0.187 20 0 BCADHO NC[C@H]1CC(C(=O)Nc2cccc(C[NH3+])c2)=NO1 ZINC000852789540 588702790 /nfs/dbraw/zinc/70/27/90/588702790.db2.gz BHMRJGVVARMPCP-SNVBAGLBSA-N 1 3 248.286 0.187 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NCCN1CCC[C@@H]1C ZINC000852823234 588705672 /nfs/dbraw/zinc/70/56/72/588705672.db2.gz CVWBHSXDALDEPC-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCC[C@@H]1C ZINC000852823230 588705908 /nfs/dbraw/zinc/70/59/08/588705908.db2.gz CUQSGCSJOJTQFH-NSHDSACASA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)C[C@@H]1NCc2ccccc21 ZINC000852831158 588706670 /nfs/dbraw/zinc/70/66/70/588706670.db2.gz PJUCTZZULWMGSX-CABZTGNLSA-N 1 3 233.315 0.684 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000852833020 588706849 /nfs/dbraw/zinc/70/68/49/588706849.db2.gz SPPNVWVYYKRAGO-YIZRAAEISA-N 1 3 247.289 0.227 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)c1cccc(CN)c1 ZINC000852841848 588707334 /nfs/dbraw/zinc/70/73/34/588707334.db2.gz KTQAZNYZUQDIOA-UHFFFAOYSA-N 1 3 235.331 0.955 20 0 BCADHO C[C@H](CNC(=O)C=C1CC[NH2+]CC1)N(C)C ZINC000852862243 588709028 /nfs/dbraw/zinc/70/90/28/588709028.db2.gz XLXMVVNJNGJOEP-SNVBAGLBSA-N 1 3 225.336 0.363 20 0 BCADHO O=C(C=C1CC[NH2+]CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000852862514 588709217 /nfs/dbraw/zinc/70/92/17/588709217.db2.gz HALJWELWDSGAAW-GFCCVEGCSA-N 1 3 249.358 0.649 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)C=C1CC[NH2+]CC1 ZINC000852874794 588710230 /nfs/dbraw/zinc/71/02/30/588710230.db2.gz POTMAVIDLGGILQ-WDEREUQCSA-N 1 3 237.347 0.505 20 0 BCADHO C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000852874792 588710258 /nfs/dbraw/zinc/71/02/58/588710258.db2.gz POTMAVIDLGGILQ-MNOVXSKESA-N 1 3 237.347 0.505 20 0 BCADHO O=C(C=C1CC[NH2+]CC1)N1CCN2CCC1CC2 ZINC000852884649 588711130 /nfs/dbraw/zinc/71/11/30/588711130.db2.gz IMOBRTSJJFDXHE-UHFFFAOYSA-N 1 3 249.358 0.603 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000861582449 589168965 /nfs/dbraw/zinc/16/89/65/589168965.db2.gz XDPYNZIYBGOGFP-NXEZZACHSA-N 1 3 240.351 0.212 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000861651526 589173182 /nfs/dbraw/zinc/17/31/82/589173182.db2.gz VHLOGMJWRAZWDT-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO COC(=O)C1=CC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000863541889 589297113 /nfs/dbraw/zinc/29/71/13/589297113.db2.gz LVADZQQAZCLPHJ-YWVKMMECSA-N 1 3 226.320 0.964 20 0 BCADHO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@@H](C)N)C1 ZINC000863541889 589297115 /nfs/dbraw/zinc/29/71/15/589297115.db2.gz LVADZQQAZCLPHJ-YWVKMMECSA-N 1 3 226.320 0.964 20 0 BCADHO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCNc1ccncc1 ZINC000864455282 589366275 /nfs/dbraw/zinc/36/62/75/589366275.db2.gz LVHHTSUBTYEWMN-KOLCDFICSA-N 1 3 233.319 0.438 20 0 BCADHO C[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)CN(C)C ZINC000864467620 589371598 /nfs/dbraw/zinc/37/15/98/589371598.db2.gz VFFBNARFZMYSAL-UTLUCORTSA-N 1 3 212.341 0.706 20 0 BCADHO C[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)CN(C)C ZINC000864467619 589371703 /nfs/dbraw/zinc/37/17/03/589371703.db2.gz VFFBNARFZMYSAL-OPRDCNLKSA-N 1 3 212.341 0.706 20 0 BCADHO C[C@H](N)c1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000864643424 589387172 /nfs/dbraw/zinc/38/71/72/589387172.db2.gz LVOJHDIQCMHKFZ-QMMMGPOBSA-N 1 3 217.276 0.746 20 0 BCADHO CC1(C)CC[NH2+]CCN1C[C@H]1CNCCO1 ZINC000866697244 589512643 /nfs/dbraw/zinc/51/26/43/589512643.db2.gz KJCVMUOCFHIHGB-LLVKDONJSA-N 1 3 227.352 0.049 20 0 BCADHO Cn1ccc(C[N@@H+]2CCNCCC2(C)C)cc1=O ZINC000866699223 589513026 /nfs/dbraw/zinc/51/30/26/589513026.db2.gz JQBKGVIHBQRLAS-UHFFFAOYSA-N 1 3 249.358 0.959 20 0 BCADHO Cn1ccc(C[N@H+]2CCNCCC2(C)C)cc1=O ZINC000866699223 589513027 /nfs/dbraw/zinc/51/30/27/589513027.db2.gz JQBKGVIHBQRLAS-UHFFFAOYSA-N 1 3 249.358 0.959 20 0 BCADHO CC1(C)C[C@H](O)CN(CCOCC[NH3+])C1 ZINC000866702392 589513407 /nfs/dbraw/zinc/51/34/07/589513407.db2.gz AIKZNGYZQGJMMT-JTQLQIEISA-N 1 3 216.325 0.055 20 0 BCADHO CC1(C)C[C@@H](O)CN(C[C@H]2CC[NH2+]C2)C1 ZINC000866703657 589513417 /nfs/dbraw/zinc/51/34/17/589513417.db2.gz NNHFCYQDWODYMG-WDEREUQCSA-N 1 3 212.337 0.689 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704803 589514358 /nfs/dbraw/zinc/51/43/58/589514358.db2.gz YDTKBFBPPVYHSB-JQWIXIFHSA-N 1 3 230.352 0.050 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000866704803 589514359 /nfs/dbraw/zinc/51/43/59/589514359.db2.gz YDTKBFBPPVYHSB-JQWIXIFHSA-N 1 3 230.352 0.050 20 0 BCADHO CC(C)NCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868013726 589544319 /nfs/dbraw/zinc/54/43/19/589544319.db2.gz MPLOPCROBXBDHU-JTQLQIEISA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000870892833 589695033 /nfs/dbraw/zinc/69/50/33/589695033.db2.gz NDMSVVJZWIYGER-VWYCJHECSA-N 1 3 227.352 0.665 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000870892815 589695111 /nfs/dbraw/zinc/69/51/11/589695111.db2.gz MPHLRUYFWIARJI-GMTAPVOTSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000870907543 589695872 /nfs/dbraw/zinc/69/58/72/589695872.db2.gz YVSGLVHKLAHNFD-FXPVBKGRSA-N 1 3 225.336 0.323 20 0 BCADHO CC1(C)CN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCN1 ZINC000870946557 589700324 /nfs/dbraw/zinc/70/03/24/589700324.db2.gz SCJZZXHJQYGBJZ-NRUUGDAUSA-N 1 3 237.347 0.324 20 0 BCADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N(C)C ZINC000870965539 589702142 /nfs/dbraw/zinc/70/21/42/589702142.db2.gz QJPRSYRKMVKVPT-AXFHLTTASA-N 1 3 227.352 0.426 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964462 589702166 /nfs/dbraw/zinc/70/21/66/589702166.db2.gz FMMRSASCPHBCFV-FRRDWIJNSA-N 1 3 247.342 0.410 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968477 589702826 /nfs/dbraw/zinc/70/28/26/589702826.db2.gz VJDAZHPAXDQWQO-AOOOYVTPSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870969086 589702892 /nfs/dbraw/zinc/70/28/92/589702892.db2.gz RPXXKUQKCZMREM-XKNYDFJKSA-N 1 3 213.325 0.213 20 0 BCADHO N[C@@H](CC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000870971472 589703062 /nfs/dbraw/zinc/70/30/62/589703062.db2.gz BKRMLOANRPRKGF-DRZSPHRISA-N 1 3 247.342 0.930 20 0 BCADHO CC(C)(N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974224 589704221 /nfs/dbraw/zinc/70/42/21/589704221.db2.gz JIGYZWZVKPRJJX-ILWJIGKKSA-N 1 3 225.336 0.371 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000870981474 589704767 /nfs/dbraw/zinc/70/47/67/589704767.db2.gz IXTCKXWOFKATSV-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000870981474 589704768 /nfs/dbraw/zinc/70/47/68/589704768.db2.gz IXTCKXWOFKATSV-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO C[C@@H](NC(=O)C(C)(C)N)C1CC[NH2+]CC1 ZINC000870984208 589705039 /nfs/dbraw/zinc/70/50/39/589705039.db2.gz KEWOYLJCVFLPOK-MRVPVSSYSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](NC(=O)[C@@H](N)C1CCC1)C1CC[NH2+]CC1 ZINC000870984301 589705059 /nfs/dbraw/zinc/70/50/59/589705059.db2.gz ODXYBUFKVKUNCV-SKDRFNHKSA-N 1 3 239.363 0.618 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000870983063 589705318 /nfs/dbraw/zinc/70/53/18/589705318.db2.gz SIDKKOQXTOFJRI-AXFHLTTASA-N 1 3 225.336 0.147 20 0 BCADHO CN[C@@H](C)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000870983063 589705320 /nfs/dbraw/zinc/70/53/20/589705320.db2.gz SIDKKOQXTOFJRI-AXFHLTTASA-N 1 3 225.336 0.147 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870983982 589705357 /nfs/dbraw/zinc/70/53/57/589705357.db2.gz FJUHHOBFJMWDIZ-MWLCHTKSSA-N 1 3 227.352 0.474 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C1CC[NH2+]CC1)N(C)C ZINC000870985455 589706126 /nfs/dbraw/zinc/70/61/26/589706126.db2.gz DEOMRNFEXFBXRT-ZYHUDNBSSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994918 589707538 /nfs/dbraw/zinc/70/75/38/589707538.db2.gz YDSDFMKJZQOIDK-MFKMUULPSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000870991005 589708170 /nfs/dbraw/zinc/70/81/70/589708170.db2.gz CPVOMKKJTJHNAR-GBIKHYSHSA-N 1 3 239.363 0.557 20 0 BCADHO COCCN(C)C(=[NH2+])NCCCN(C)C ZINC000871603433 589773646 /nfs/dbraw/zinc/77/36/46/589773646.db2.gz UASGXAHQEQYWKR-UHFFFAOYSA-N 1 3 216.329 0.041 20 0 BCADHO COCCN(C)C(=[NH2+])NCCNC(C)(C)C ZINC000871605338 589774717 /nfs/dbraw/zinc/77/47/17/589774717.db2.gz OCUCEFBPGPIROK-UHFFFAOYSA-N 1 3 230.356 0.477 20 0 BCADHO O=C1CC2(CCC2)N(C[C@H]2CC[NH2+]C2)CCN1 ZINC000872156724 589885680 /nfs/dbraw/zinc/88/56/80/589885680.db2.gz CPZOQJCPUTWFDM-NSHDSACASA-N 1 3 237.347 0.341 20 0 BCADHO CCNCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872268567 589902749 /nfs/dbraw/zinc/90/27/49/589902749.db2.gz FDJNJDYNXZSMHM-SNVBAGLBSA-N 1 3 227.352 0.490 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCNCCC1(C)C ZINC000872289729 589906229 /nfs/dbraw/zinc/90/62/29/589906229.db2.gz AUMMKZZHIIGVTJ-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[NH2+]CCCC(=O)N1CCNCCC1(C)C ZINC000872290282 589906236 /nfs/dbraw/zinc/90/62/36/589906236.db2.gz LANSAYHMUALAIH-UHFFFAOYSA-N 1 3 227.352 0.587 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CCNCCC1(C)C ZINC000872290351 589906292 /nfs/dbraw/zinc/90/62/92/589906292.db2.gz MSRSBOCJOBVIJS-JTQLQIEISA-N 1 3 227.352 0.442 20 0 BCADHO CC1(C)CCNCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000872289950 589906414 /nfs/dbraw/zinc/90/64/14/589906414.db2.gz GNZQVSPOAMVZNP-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H]1C ZINC000872288508 589906553 /nfs/dbraw/zinc/90/65/53/589906553.db2.gz MUYLHURHHDPRIA-OQEOFVATSA-N 1 3 237.347 0.323 20 0 BCADHO CC1(C)CCNCCN1C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000872300641 589908242 /nfs/dbraw/zinc/90/82/42/589908242.db2.gz ZFKZLVJNVZNDKM-AOOOYVTPSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH2+]CCC(=O)N1CCNCCC1(C)C ZINC000872298990 589908317 /nfs/dbraw/zinc/90/83/17/589908317.db2.gz ZIDPLANILGTPEM-UHFFFAOYSA-N 1 3 213.325 0.196 20 0 BCADHO CC(C)(N)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000873221451 589999740 /nfs/dbraw/zinc/99/97/40/589999740.db2.gz KNSZTZLDEWMHAH-SECBINFHSA-N 1 3 200.326 0.817 20 0 BCADHO CC(C)(N)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000873221451 589999742 /nfs/dbraw/zinc/99/97/42/589999742.db2.gz KNSZTZLDEWMHAH-SECBINFHSA-N 1 3 200.326 0.817 20 0 BCADHO CN(CCCNCc1ccon1)CC[NH+](C)C ZINC000873141035 589986303 /nfs/dbraw/zinc/98/63/03/589986303.db2.gz ZQNYTWQAYZTQOG-UHFFFAOYSA-N 1 3 240.351 0.648 20 0 BCADHO CC(C)[C@@H](C[NH3+])CN[C@H]1CNCCC1(F)F ZINC000873211726 589990018 /nfs/dbraw/zinc/99/00/18/589990018.db2.gz DFBUYDLRPXHFTO-UWVGGRQHSA-N 1 3 235.322 0.804 20 0 BCADHO C[NH2+]CCNCc1cc2c(s1)CCNC2 ZINC000873211102 589994975 /nfs/dbraw/zinc/99/49/75/589994975.db2.gz VJMGDMJNPOCWAX-UHFFFAOYSA-N 1 3 225.361 0.703 20 0 BCADHO Nc1cnc(CN[C@@H]2CC[C@@H](C[NH3+])C2)cn1 ZINC000873212900 589997481 /nfs/dbraw/zinc/99/74/81/589997481.db2.gz RRYVVQQFYOZTRO-RKDXNWHRSA-N 1 3 221.308 0.276 20 0 BCADHO C[C@@H]1C[C@H](CN2CCCNC(=O)C2)CC[NH2+]1 ZINC000873232234 590002938 /nfs/dbraw/zinc/00/29/38/590002938.db2.gz NPOMWAWMNPHZDG-GHMZBOCLSA-N 1 3 225.336 0.196 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000873245986 590006423 /nfs/dbraw/zinc/00/64/23/590006423.db2.gz QVJGULSJBWXKCF-QWRGUYRKSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@H](NC[C@H]1C[C@H]([NH3+])C1)c1nccn1C ZINC000873256757 590011576 /nfs/dbraw/zinc/01/15/76/590011576.db2.gz QDGQQLBMDGPWCB-GUBZILKMSA-N 1 3 208.309 0.808 20 0 BCADHO C[C@H](NC[C@H]1Cc2ccccc2CN1)C1C[NH2+]C1 ZINC000873297200 590024871 /nfs/dbraw/zinc/02/48/71/590024871.db2.gz TYCZSNCBDORPSG-XHDPSFHLSA-N 1 3 245.370 0.898 20 0 BCADHO C[NH+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000874447018 590111373 /nfs/dbraw/zinc/11/13/73/590111373.db2.gz DLEMPXPFQRGXMQ-UHFFFAOYSA-N 1 3 239.363 0.635 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876538424 590211498 /nfs/dbraw/zinc/21/14/98/590211498.db2.gz QAXBQMUDADVMFK-PHIMTYICSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000876735417 590234130 /nfs/dbraw/zinc/23/41/30/590234130.db2.gz NKCJPKOCNPOCNC-OPRDCNLKSA-N 1 3 227.352 0.426 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876732607 590234318 /nfs/dbraw/zinc/23/43/18/590234318.db2.gz AWRGAOXEDCFLNT-OUAUKWLOSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C)C[NH3+] ZINC000876829458 590246917 /nfs/dbraw/zinc/24/69/17/590246917.db2.gz IYLLGUBZCMOATM-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H]1NCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H]1C ZINC000876833830 590248032 /nfs/dbraw/zinc/24/80/32/590248032.db2.gz YGXBXDWVYYROAS-XWLWVQCSSA-N 1 3 239.363 0.569 20 0 BCADHO O=C(CCC1C[NH2+]C1)N[C@@H]1CNCCC1(F)F ZINC000876866896 590251582 /nfs/dbraw/zinc/25/15/82/590251582.db2.gz MKLATSVCXHGDNZ-SECBINFHSA-N 1 3 247.289 0.099 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N(C)C ZINC000876871627 590252030 /nfs/dbraw/zinc/25/20/30/590252030.db2.gz MXWYFEGBHSMPPU-VWYCJHECSA-N 1 3 225.336 0.147 20 0 BCADHO CC[C@H](C(=O)NCCCCCC[NH3+])N(C)C ZINC000876938696 590258977 /nfs/dbraw/zinc/25/89/77/590258977.db2.gz NSAATXCCSSZNHC-LLVKDONJSA-N 1 3 229.368 0.962 20 0 BCADHO CC[N@H+](CCN[C@@H]1CCCNC(=O)C1)C(C)C ZINC000876995942 590266592 /nfs/dbraw/zinc/26/65/92/590266592.db2.gz KLVSZPJADIISLM-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CC[N@@H+](CCN[C@@H]1CCCNC(=O)C1)C(C)C ZINC000876995942 590266594 /nfs/dbraw/zinc/26/65/94/590266594.db2.gz KLVSZPJADIISLM-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877081476 590280022 /nfs/dbraw/zinc/28/00/22/590280022.db2.gz CGNIGQKYXLSANW-VWYCJHECSA-N 1 3 243.326 0.144 20 0 BCADHO CCN(CC)CC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103091 590283926 /nfs/dbraw/zinc/28/39/26/590283926.db2.gz QCUXFKGIYOORNK-SECBINFHSA-N 1 3 201.314 0.134 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000877103660 590284250 /nfs/dbraw/zinc/28/42/50/590284250.db2.gz XOHFNIPNLFSRSW-CMPLNLGQSA-N 1 3 235.331 0.882 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)c1cccc2c1CNC2 ZINC000877104448 590284473 /nfs/dbraw/zinc/28/44/73/590284473.db2.gz CASTXDHQNWPNFV-SECBINFHSA-N 1 3 233.315 0.709 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000877105350 590284935 /nfs/dbraw/zinc/28/49/35/590284935.db2.gz OJPXFDFXZRFBKG-GXFFZTMASA-N 1 3 247.342 0.679 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)c1cccc2c1CCNC2 ZINC000877106860 590285518 /nfs/dbraw/zinc/28/55/18/590285518.db2.gz XGCPAENJHQTALV-JTQLQIEISA-N 1 3 247.342 0.752 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877188325 590298896 /nfs/dbraw/zinc/29/88/96/590298896.db2.gz ZLINKSTWMQISMO-KAIZJQOQSA-N 1 3 247.289 0.451 20 0 BCADHO CNCC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000877201366 590300316 /nfs/dbraw/zinc/30/03/16/590300316.db2.gz XUBREUXTDXUOKJ-UHFFFAOYSA-N 1 3 241.379 0.833 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC2(CCC2)C1 ZINC000877242681 590302490 /nfs/dbraw/zinc/30/24/90/590302490.db2.gz VUWFRHGXIAYUSH-AOOOYVTPSA-N 1 3 237.347 0.502 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242589 590302762 /nfs/dbraw/zinc/30/27/62/590302762.db2.gz GLQASTHHQLWAQM-BKUVIOGVSA-N 1 3 239.363 0.713 20 0 BCADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N(CC)CC ZINC000877243768 590302996 /nfs/dbraw/zinc/30/29/96/590302996.db2.gz UDHCQBULIIDIAD-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000877250923 590303733 /nfs/dbraw/zinc/30/37/33/590303733.db2.gz UISCTNDRLRNODL-NXEZZACHSA-N 1 3 223.320 0.030 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)C3(N)CC3)CC[C@H]21 ZINC000877250923 590303734 /nfs/dbraw/zinc/30/37/34/590303734.db2.gz UISCTNDRLRNODL-NXEZZACHSA-N 1 3 223.320 0.030 20 0 BCADHO NC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCCC1 ZINC000877246004 590303741 /nfs/dbraw/zinc/30/37/41/590303741.db2.gz SUIJUTYOLJJVAZ-MGCOHNPYSA-N 1 3 225.336 0.502 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877254500 590304156 /nfs/dbraw/zinc/30/41/56/590304156.db2.gz WFDLQWXNUWXDLY-ZJUUUORDSA-N 1 3 227.352 0.489 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254508 590304189 /nfs/dbraw/zinc/30/41/89/590304189.db2.gz WFDLQWXNUWXDLY-VHSXEESVSA-N 1 3 227.352 0.489 20 0 BCADHO CCN[C@H](C)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877254499 590304274 /nfs/dbraw/zinc/30/42/74/590304274.db2.gz WFDLQWXNUWXDLY-NXEZZACHSA-N 1 3 227.352 0.489 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254507 590304425 /nfs/dbraw/zinc/30/44/25/590304425.db2.gz WFDLQWXNUWXDLY-UWVGGRQHSA-N 1 3 227.352 0.489 20 0 BCADHO CC1(C)CN[C@H]1C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877373810 590320226 /nfs/dbraw/zinc/32/02/26/590320226.db2.gz KHMJJZLUPXCBDR-OUJBWJOFSA-N 1 3 237.347 0.052 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877380219 590320356 /nfs/dbraw/zinc/32/03/56/590320356.db2.gz XVYVNXIHWMZYEI-CYZMBNFOSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)NCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386068 590321060 /nfs/dbraw/zinc/32/10/60/590321060.db2.gz GIJWZIITYRJCPN-CMPLNLGQSA-N 1 3 225.336 0.385 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387407 590321376 /nfs/dbraw/zinc/32/13/76/590321376.db2.gz YMUWRDZKKGQNBV-JFGNBEQYSA-N 1 3 225.336 0.385 20 0 BCADHO CC[C@H](N)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877399268 590323022 /nfs/dbraw/zinc/32/30/22/590323022.db2.gz LVNOLGBWUGXOLR-ATZCPNFKSA-N 1 3 211.309 0.125 20 0 BCADHO CN[C@@H](C)C(=O)N(C)CCCCCC[NH3+] ZINC000877436223 590327013 /nfs/dbraw/zinc/32/70/13/590327013.db2.gz CVSVKEJJXVDBMI-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CN(CCCCCC[NH3+])C(=O)[C@]1(F)CCNC1 ZINC000877444731 590328873 /nfs/dbraw/zinc/32/88/73/590328873.db2.gz PFNVOPHXFIDWHJ-LBPRGKRZSA-N 1 3 245.342 0.666 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877451652 590330237 /nfs/dbraw/zinc/33/02/37/590330237.db2.gz SCFPMPMJMIAYBU-OBPIAQAESA-N 1 3 249.358 0.147 20 0 BCADHO CC(C)[C@H](O)CCN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000877982257 590464959 /nfs/dbraw/zinc/46/49/59/590464959.db2.gz NEGAGYFCRZZZCE-SDDRHHMPSA-N 1 3 212.337 0.545 20 0 BCADHO CN1CC[C@H]2C[N@H+](CCCCO)CC[C@@H]21 ZINC000879572449 590809089 /nfs/dbraw/zinc/80/90/89/590809089.db2.gz HJGCDEAIUVZSMP-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CC[C@H]2C[N@@H+](CCCCO)CC[C@@H]21 ZINC000879572449 590809092 /nfs/dbraw/zinc/80/90/92/590809092.db2.gz HJGCDEAIUVZSMP-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879574115 590812271 /nfs/dbraw/zinc/81/22/71/590812271.db2.gz XNPSMUWUNGRVKV-UPJWGTAASA-N 1 3 242.363 0.410 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879574115 590812276 /nfs/dbraw/zinc/81/22/76/590812276.db2.gz XNPSMUWUNGRVKV-UPJWGTAASA-N 1 3 242.363 0.410 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879574114 590814490 /nfs/dbraw/zinc/81/44/90/590814490.db2.gz XNPSMUWUNGRVKV-JHJVBQTASA-N 1 3 242.363 0.410 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879574114 590814491 /nfs/dbraw/zinc/81/44/91/590814491.db2.gz XNPSMUWUNGRVKV-JHJVBQTASA-N 1 3 242.363 0.410 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879574116 590815467 /nfs/dbraw/zinc/81/54/67/590815467.db2.gz XNPSMUWUNGRVKV-XQQFMLRXSA-N 1 3 242.363 0.410 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879574116 590815470 /nfs/dbraw/zinc/81/54/70/590815470.db2.gz XNPSMUWUNGRVKV-XQQFMLRXSA-N 1 3 242.363 0.410 20 0 BCADHO CN1CC[C@@H]2C[N@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000879580582 590820862 /nfs/dbraw/zinc/82/08/62/590820862.db2.gz UHLDXAQOPZTRTB-FRRDWIJNSA-N 1 3 224.348 0.783 20 0 BCADHO CN1CC[C@@H]2C[N@@H+](C[C@@H](O)C3CC3)CC[C@@H]21 ZINC000879580582 590820865 /nfs/dbraw/zinc/82/08/65/590820865.db2.gz UHLDXAQOPZTRTB-FRRDWIJNSA-N 1 3 224.348 0.783 20 0 BCADHO CC1(N2CCC2)CC[NH+](CCCO)CC1 ZINC000880472000 591052137 /nfs/dbraw/zinc/05/21/37/591052137.db2.gz CLQRRWHLGLKHJY-UHFFFAOYSA-N 1 3 212.337 0.929 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129824985 591411134 /nfs/dbraw/zinc/41/11/34/591411134.db2.gz XTSSTOLYHNXFKC-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO Cc1cc(N[C@@H](C)C[NH+](C)C)nc(N)n1 ZINC000130768952 591520029 /nfs/dbraw/zinc/52/00/29/591520029.db2.gz UDCANMSDSPKPRU-QMMMGPOBSA-N 1 3 209.297 0.729 20 0 BCADHO F[C@@H]1C[NH2+][C@H](CN2CCN(CC3CC3)CC2)C1 ZINC000883423648 591658599 /nfs/dbraw/zinc/65/85/99/591658599.db2.gz QOMQOVJZUSIGOF-STQMWFEESA-N 1 3 241.354 0.714 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000883430074 591661979 /nfs/dbraw/zinc/66/19/79/591661979.db2.gz MQNXUJJOCGMWQV-GCHJQGSQSA-N 1 3 229.343 0.663 20 0 BCADHO CC1(C)[C@H](NC[C@@H]2C[C@H](F)CN2)C[C@@H]1[NH3+] ZINC000883441218 591668769 /nfs/dbraw/zinc/66/87/69/591668769.db2.gz KCBUACNVPLZROE-AATLWQCWSA-N 1 3 215.316 0.402 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131860664 591672354 /nfs/dbraw/zinc/67/23/54/591672354.db2.gz XVXNZRRLRBIHKC-OPRDCNLKSA-N 1 3 213.325 0.179 20 0 BCADHO c1ncc2c(n1)CCN(CC[C@H]1CC[NH2+]C1)C2 ZINC000883462559 591673751 /nfs/dbraw/zinc/67/37/51/591673751.db2.gz UFKXVERSYYSRFB-LLVKDONJSA-N 1 3 232.331 0.834 20 0 BCADHO CC(C)C[C@@H](C(N)=O)N(C)CC[C@H]1CC[NH2+]C1 ZINC000883461952 591674420 /nfs/dbraw/zinc/67/44/20/591674420.db2.gz GXYBLUJJJZUSFR-NEPJUHHUSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000132968096 591751505 /nfs/dbraw/zinc/75/15/05/591751505.db2.gz SIHOOBDCXLALAL-OPRDCNLKSA-N 1 3 213.325 0.323 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884004948 591793617 /nfs/dbraw/zinc/79/36/17/591793617.db2.gz PQFLGRYAKVYUQP-NXEZZACHSA-N 1 3 211.309 0.064 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H](N)CC1CC1 ZINC000884026020 591807096 /nfs/dbraw/zinc/80/70/96/591807096.db2.gz PZOUXEXQSKYSPQ-LLVKDONJSA-N 1 3 227.352 0.618 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@H](N)CC1CC1 ZINC000884040816 591822993 /nfs/dbraw/zinc/82/29/93/591822993.db2.gz DYYCDTFBHLVOIN-SNVBAGLBSA-N 1 3 227.352 0.557 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](N)CC1CC1 ZINC000884041513 591823088 /nfs/dbraw/zinc/82/30/88/591823088.db2.gz ADHRGRKXHUZBSI-RYUDHWBXSA-N 1 3 241.379 0.946 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000884238364 591877864 /nfs/dbraw/zinc/87/78/64/591877864.db2.gz ZYJCJXHLFYQPNM-RYUDHWBXSA-N 1 3 237.347 0.467 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000884293482 591896136 /nfs/dbraw/zinc/89/61/36/591896136.db2.gz DHXQIHFVQGQLCC-UTUOFQBUSA-N 1 3 237.347 0.324 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000884296626 591897172 /nfs/dbraw/zinc/89/71/72/591897172.db2.gz BPEPKKOYKVFKFG-SFYZADRCSA-N 1 3 235.278 0.213 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000884300292 591899727 /nfs/dbraw/zinc/89/97/27/591899727.db2.gz UUOQTDMNTLEVPG-VXGBXAGGSA-N 1 3 239.363 0.762 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884338821 591904614 /nfs/dbraw/zinc/90/46/14/591904614.db2.gz TVIOBLNFMCXEIQ-UWVGGRQHSA-N 1 3 227.352 0.603 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(N)CCCC1 ZINC000884348235 591909742 /nfs/dbraw/zinc/90/97/42/591909742.db2.gz RLSVFWRHQWYXEF-RKDXNWHRSA-N 1 3 225.336 0.500 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(N)CCCCC1 ZINC000884348279 591909747 /nfs/dbraw/zinc/90/97/47/591909747.db2.gz SSJIFGQNSMUMDB-NXEZZACHSA-N 1 3 239.363 0.890 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884358919 591912323 /nfs/dbraw/zinc/91/23/23/591912323.db2.gz ZZPPIGKDWGARHC-HRDYMLBCSA-N 1 3 225.336 0.226 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H](N)CC(F)F ZINC000884357920 591913083 /nfs/dbraw/zinc/91/30/83/591913083.db2.gz IMIPCDRUWXDAMW-XVMARJQXSA-N 1 3 235.278 0.211 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000884358860 591913134 /nfs/dbraw/zinc/91/31/34/591913134.db2.gz ZNUCGPISUYEMDO-GMTAPVOTSA-N 1 3 241.379 0.815 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884365372 591917688 /nfs/dbraw/zinc/91/76/88/591917688.db2.gz IGYHZYKUEQTOBC-BBBLOLIVSA-N 1 3 225.336 0.356 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)CC1CC1 ZINC000884372575 591918616 /nfs/dbraw/zinc/91/86/16/591918616.db2.gz PLRRPZHNTOPXSM-NRPADANISA-N 1 3 213.325 0.356 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000884408629 591926296 /nfs/dbraw/zinc/92/62/96/591926296.db2.gz NNPZPIQNKAMPEK-YZRBJQDESA-N 1 3 223.320 0.064 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000884426877 591930917 /nfs/dbraw/zinc/93/09/17/591930917.db2.gz XOYSOYSLRPKGOL-DMDPSCGWSA-N 1 3 237.347 0.454 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@H](N)CC2CC2)C[NH2+]1 ZINC000884437834 591934266 /nfs/dbraw/zinc/93/42/66/591934266.db2.gz OBBVXIRHISNZEE-DVVUODLYSA-N 1 3 225.336 0.371 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449948 591938133 /nfs/dbraw/zinc/93/81/33/591938133.db2.gz SNGWQEYVYABOGB-RYUDHWBXSA-N 1 3 239.363 0.844 20 0 BCADHO N[C@H](CC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884458486 591941102 /nfs/dbraw/zinc/94/11/02/591941102.db2.gz GJQZGYQYKUONOU-OUAUKWLOSA-N 1 3 223.320 0.077 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884458485 591941171 /nfs/dbraw/zinc/94/11/71/591941171.db2.gz GJQZGYQYKUONOU-AXFHLTTASA-N 1 3 223.320 0.077 20 0 BCADHO C(N[C@H]1CCOC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000216291414 592017030 /nfs/dbraw/zinc/01/70/30/592017030.db2.gz PCWHBXFTWOPZJW-MNOVXSKESA-N 1 3 210.321 0.849 20 0 BCADHO C(N[C@H]1CCOC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000216291414 592017033 /nfs/dbraw/zinc/01/70/33/592017033.db2.gz PCWHBXFTWOPZJW-MNOVXSKESA-N 1 3 210.321 0.849 20 0 BCADHO C[N@H+](CCO)CCNc1ccnc2ccccc21 ZINC000884824915 592022930 /nfs/dbraw/zinc/02/29/30/592022930.db2.gz VVGBTSKJLKNRMR-UHFFFAOYSA-N 1 3 245.326 0.993 20 0 BCADHO C[N@@H+](CCO)CCNc1ccnc2ccccc21 ZINC000884824915 592022931 /nfs/dbraw/zinc/02/29/31/592022931.db2.gz VVGBTSKJLKNRMR-UHFFFAOYSA-N 1 3 245.326 0.993 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886010837 592129835 /nfs/dbraw/zinc/12/98/35/592129835.db2.gz QMQZENVUQJBGQF-GXSJLCMTSA-N 1 3 236.306 0.886 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886010837 592129837 /nfs/dbraw/zinc/12/98/37/592129837.db2.gz QMQZENVUQJBGQF-GXSJLCMTSA-N 1 3 236.306 0.886 20 0 BCADHO Cc1n[nH]c(CNCCOCC[NH+](C)C)c1C ZINC000886067869 592142916 /nfs/dbraw/zinc/14/29/16/592142916.db2.gz PTYRXKFYZUYZAJ-UHFFFAOYSA-N 1 3 240.351 0.694 20 0 BCADHO COC(=O)[C@@H]1CC[C@@H](NCCC[NH+](C)C)C1 ZINC000886489615 592235555 /nfs/dbraw/zinc/23/55/55/592235555.db2.gz MXHCVPVALHDTFQ-GHMZBOCLSA-N 1 3 228.336 0.869 20 0 BCADHO CN(C[C@@H]1C[C@]12CCOC2)C1CC([NH3+])C1 ZINC000886838322 592359056 /nfs/dbraw/zinc/35/90/56/592359056.db2.gz VJEKRDUEJNWNLJ-XKGSQUFQSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+]C[C@@H]1CN(C[C@H]2C[C@]23CCOC3)CCCO1 ZINC000886839914 592360349 /nfs/dbraw/zinc/36/03/49/592360349.db2.gz OPCWVGPRIMSHBO-UPJWGTAASA-N 1 3 240.347 0.463 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C[C@H]1C[C@@]12CCOC2 ZINC000886840331 592361063 /nfs/dbraw/zinc/36/10/63/592361063.db2.gz ZEXRCWRUUPSTOG-WHOHXGKFSA-N 1 3 210.321 0.835 20 0 BCADHO [NH3+]C[C@H]1CCCN1C[C@H]1C[C@]12CCOC2 ZINC000886881131 592380143 /nfs/dbraw/zinc/38/01/43/592380143.db2.gz RFUKDSNABFUXHK-UTUOFQBUSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@@H](CNC(=[NH2+])NCC1CC1)N1CCCC1 ZINC000887348292 592484421 /nfs/dbraw/zinc/48/44/21/592484421.db2.gz CDXRCIYNUFYWLJ-JTQLQIEISA-N 1 3 224.352 0.995 20 0 BCADHO Cn1cnc(CCCN[C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925702371 634378234 /nfs/dbraw/zinc/37/82/34/634378234.db2.gz BWGCDQJQPVYGPC-WDEREUQCSA-N 1 3 249.362 0.607 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000925840769 635503599 /nfs/dbraw/zinc/50/35/99/635503599.db2.gz WWTSYYAZTHOBMA-GRYCIOLGSA-N 1 3 239.363 0.620 20 0 BCADHO CCN(CCC(=O)NC)C[C@@H]1CCC[NH2+]C1 ZINC000233455407 635534109 /nfs/dbraw/zinc/53/41/09/635534109.db2.gz IMAZUICNFLTXBE-LLVKDONJSA-N 1 3 227.352 0.444 20 0 BCADHO Cn1nccc1[C@H](O)CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000925888918 635615259 /nfs/dbraw/zinc/61/52/59/635615259.db2.gz HCHGEHSXYVAZRL-HOSYDEDBSA-N 1 3 238.335 0.313 20 0 BCADHO C[NH+](C)CC(C)(C)CNc1ccncc1CO ZINC000891440409 631285900 /nfs/dbraw/zinc/28/59/00/631285900.db2.gz LVUQNHWOIOOAEY-UHFFFAOYSA-N 1 3 237.347 0.996 20 0 BCADHO CC[N@@H+]1CCC[C@H]1CNc1ccncc1CO ZINC000891458851 631369695 /nfs/dbraw/zinc/36/96/95/631369695.db2.gz GBMDTTVZWAETBG-LBPRGKRZSA-N 1 3 235.331 0.892 20 0 BCADHO CC[N@H+]1CCC[C@H]1CNc1ccncc1CO ZINC000891458851 631369704 /nfs/dbraw/zinc/36/97/04/631369704.db2.gz GBMDTTVZWAETBG-LBPRGKRZSA-N 1 3 235.331 0.892 20 0 BCADHO Cn1cncc1CCN[C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926203032 631424236 /nfs/dbraw/zinc/42/42/36/631424236.db2.gz HSHCFSVVXBZFRR-WCQYABFASA-N 1 3 234.347 0.646 20 0 BCADHO Cn1cncc1CCN[C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926203032 631424241 /nfs/dbraw/zinc/42/42/41/631424241.db2.gz HSHCFSVVXBZFRR-WCQYABFASA-N 1 3 234.347 0.646 20 0 BCADHO C[C@@H]1CCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000308735723 631556899 /nfs/dbraw/zinc/55/68/99/631556899.db2.gz ZUYYQPGKNOMMSW-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO C[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000308732324 631557928 /nfs/dbraw/zinc/55/79/28/631557928.db2.gz WIYWHRBQTFBKAV-RYUDHWBXSA-N 1 3 212.337 0.785 20 0 BCADHO CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584406 /nfs/dbraw/zinc/58/44/06/631584406.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 1 3 223.364 0.907 20 0 BCADHO CN1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000095015567 631584411 /nfs/dbraw/zinc/58/44/11/631584411.db2.gz CIHCTWFUYOYBGE-FRRDWIJNSA-N 1 3 223.364 0.907 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC)C1)N(C)C ZINC000972353745 631972210 /nfs/dbraw/zinc/97/22/10/631972210.db2.gz HTKLNAIDIIXUAZ-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC)C1)N(C)C ZINC000972353745 631972215 /nfs/dbraw/zinc/97/22/15/631972215.db2.gz HTKLNAIDIIXUAZ-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427043 632030948 /nfs/dbraw/zinc/03/09/48/632030948.db2.gz SOCKGYZJVDUXMY-LLVKDONJSA-N 1 3 236.319 0.505 20 0 BCADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972427043 632030951 /nfs/dbraw/zinc/03/09/51/632030951.db2.gz SOCKGYZJVDUXMY-LLVKDONJSA-N 1 3 236.319 0.505 20 0 BCADHO C[C@H]1CN(CC(=O)NCC2CC2)CC[C@@H]1C[NH3+] ZINC000122303554 632060144 /nfs/dbraw/zinc/06/01/44/632060144.db2.gz KQKFVCSHRANLGP-CMPLNLGQSA-N 1 3 239.363 0.429 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N1CCN(C2CCCC2)CC1 ZINC000052062740 632062884 /nfs/dbraw/zinc/06/28/84/632062884.db2.gz LMYZDICXSIUDHN-LLVKDONJSA-N 1 3 239.363 0.811 20 0 BCADHO CCCN(CC[NH+](C)C)C(=O)[C@H](N)CCOC ZINC000052810348 632499231 /nfs/dbraw/zinc/49/92/31/632499231.db2.gz VQAXAQVUQMIJMN-LLVKDONJSA-N 1 3 245.367 0.150 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@@H](N)CC1CC1 ZINC000310185107 632706731 /nfs/dbraw/zinc/70/67/31/632706731.db2.gz VSMVJNIGTTXZDW-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@@H](N)CC1CC1 ZINC000310185107 632706733 /nfs/dbraw/zinc/70/67/33/632706733.db2.gz VSMVJNIGTTXZDW-LBPRGKRZSA-N 1 3 241.379 0.962 20 0 BCADHO CNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000052019370 632779666 /nfs/dbraw/zinc/77/96/66/632779666.db2.gz MABAOMLKSSEEBL-UHFFFAOYSA-N 1 3 200.330 0.849 20 0 BCADHO COCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000924537927 632776184 /nfs/dbraw/zinc/77/61/84/632776184.db2.gz PPEXVOKQUCXZMB-YHWZYXNKSA-N 1 3 242.363 0.864 20 0 BCADHO COCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000924537927 632776189 /nfs/dbraw/zinc/77/61/89/632776189.db2.gz PPEXVOKQUCXZMB-YHWZYXNKSA-N 1 3 242.363 0.864 20 0 BCADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000052041383 632780066 /nfs/dbraw/zinc/78/00/66/632780066.db2.gz ZNMVZNNWAJVVMX-SNVBAGLBSA-N 1 3 212.341 0.993 20 0 BCADHO CC[C@@H](CNC(NC)=[NH+]C)N1CCCC1 ZINC000066245298 632861866 /nfs/dbraw/zinc/86/18/66/632861866.db2.gz YDBBPUHLERJEBO-JTQLQIEISA-N 1 3 212.341 0.656 20 0 BCADHO CN(CC(=O)NC1CC1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309370311 632985291 /nfs/dbraw/zinc/98/52/91/632985291.db2.gz FBWQYVUDTQNALT-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CN(CC(=O)NC(C)(C)C)CC[C@@H]1C[NH3+] ZINC000122290740 633186301 /nfs/dbraw/zinc/18/63/01/633186301.db2.gz QGXAUDIGTGGZKQ-WDEREUQCSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)CC[N@@H+]1C ZINC000928431439 635918148 /nfs/dbraw/zinc/91/81/48/635918148.db2.gz NMDAGWNYOKTJLR-KXNHARMFSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C)[C@H]2C)CC[N@H+]1C ZINC000928431439 635918153 /nfs/dbraw/zinc/91/81/53/635918153.db2.gz NMDAGWNYOKTJLR-KXNHARMFSA-N 1 3 239.363 0.535 20 0 BCADHO NCC(C[NH3+])NCc1ccncc1Cl ZINC000309582675 633206593 /nfs/dbraw/zinc/20/65/93/633206593.db2.gz TWJFHFFXIOOSNB-UHFFFAOYSA-N 1 3 214.700 0.111 20 0 BCADHO C[C@@H]1CN(CC(=O)N2CCCC2)CC[C@@H]1C[NH3+] ZINC000122313190 633215375 /nfs/dbraw/zinc/21/53/75/633215375.db2.gz YBXYSARATSPUSO-VXGBXAGGSA-N 1 3 239.363 0.526 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019775064 633792030 /nfs/dbraw/zinc/79/20/30/633792030.db2.gz VEEIELLVVKGGJM-NSHDSACASA-N 1 3 225.336 0.293 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925511429 633852420 /nfs/dbraw/zinc/85/24/20/633852420.db2.gz MVBUKNHEQSQUCY-MXWKQRLJSA-N 1 3 235.335 0.526 20 0 BCADHO C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925511429 633852425 /nfs/dbraw/zinc/85/24/25/633852425.db2.gz MVBUKNHEQSQUCY-MXWKQRLJSA-N 1 3 235.335 0.526 20 0 BCADHO CCc1nncn1CCN[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925513255 633855047 /nfs/dbraw/zinc/85/50/47/633855047.db2.gz GLEXMGZZEZVXMJ-QWRGUYRKSA-N 1 3 249.362 0.700 20 0 BCADHO CCc1nncn1CC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925513255 633855050 /nfs/dbraw/zinc/85/50/50/633855050.db2.gz GLEXMGZZEZVXMJ-QWRGUYRKSA-N 1 3 249.362 0.700 20 0 BCADHO C[C@H](C[NH2+]C1CCN(C=O)CC1)CN(C)C ZINC000309387635 633906457 /nfs/dbraw/zinc/90/64/57/633906457.db2.gz SWOLNUWBASNMQZ-LLVKDONJSA-N 1 3 227.352 0.395 20 0 BCADHO CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734589 634313038 /nfs/dbraw/zinc/31/30/38/634313038.db2.gz PYHLVKBDACWBHE-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCC[C@H]1O ZINC000925692954 634329782 /nfs/dbraw/zinc/32/97/82/634329782.db2.gz PQAGLFVTFNDLQW-NNYUYHANSA-N 1 3 212.337 0.878 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCN1CCNC1=O ZINC000925777110 635258221 /nfs/dbraw/zinc/25/82/21/635258221.db2.gz LFBKPVOCLJQMRP-WDEREUQCSA-N 1 3 240.351 0.119 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC000925777110 635258227 /nfs/dbraw/zinc/25/82/27/635258227.db2.gz LFBKPVOCLJQMRP-WDEREUQCSA-N 1 3 240.351 0.119 20 0 BCADHO CC[C@@H](CO)NCCC[NH2+][C@@H](CC)CO ZINC000006411931 635375633 /nfs/dbraw/zinc/37/56/33/635375633.db2.gz XYVQJSNDVKVJBX-QWRGUYRKSA-N 1 3 218.341 0.098 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987059402 636620043 /nfs/dbraw/zinc/62/00/43/636620043.db2.gz QPEADOSVJCNYPK-GXSJLCMTSA-N 1 3 236.319 0.551 20 0 BCADHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C=C[C@H](CO)C1 ZINC000925288100 636730998 /nfs/dbraw/zinc/73/09/98/636730998.db2.gz INDUXCFNSDKQLF-UKIXVXPJSA-N 1 3 236.359 0.853 20 0 BCADHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2N[C@@H]1C=C[C@H](CO)C1 ZINC000925288100 636731005 /nfs/dbraw/zinc/73/10/05/636731005.db2.gz INDUXCFNSDKQLF-UKIXVXPJSA-N 1 3 236.359 0.853 20 0 BCADHO C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C)CCN1C ZINC000925324240 636868295 /nfs/dbraw/zinc/86/82/95/636868295.db2.gz BNZLDTPEBXFYCQ-GHMZBOCLSA-N 1 3 242.367 0.282 20 0 BCADHO CCN(CCC(=O)NC)C[C@]1(C)CC[NH2+]C1 ZINC000904468650 637422500 /nfs/dbraw/zinc/42/25/00/637422500.db2.gz DNVLNANEHBHMBO-GFCCVEGCSA-N 1 3 227.352 0.444 20 0 BCADHO CCN(CCC(=O)NC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904468678 637423163 /nfs/dbraw/zinc/42/31/63/637423163.db2.gz DVFGSDJYHGDCHO-ZDUSSCGKSA-N 1 3 241.379 0.834 20 0 BCADHO CCN(CCC(=O)NC)C[C@]1(C)CCC[NH2+]C1 ZINC000904468677 637423789 /nfs/dbraw/zinc/42/37/89/637423789.db2.gz DVFGSDJYHGDCHO-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO CCO[C@@H](CNC[C@H](O)C1CC1)C[NH+](C)C ZINC000905580749 637854191 /nfs/dbraw/zinc/85/41/91/637854191.db2.gz PHNIBFMCJFRGEI-RYUDHWBXSA-N 1 3 230.352 0.314 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000906092018 638048613 /nfs/dbraw/zinc/04/86/13/638048613.db2.gz SCVXTOXHTFCQNP-GARJFASQSA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000906092204 638050067 /nfs/dbraw/zinc/05/00/67/638050067.db2.gz UYIOECQVOJPVTM-GRYCIOLGSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000906092267 638051630 /nfs/dbraw/zinc/05/16/30/638051630.db2.gz XPHQHITVLCMUMU-QJPTWQEYSA-N 1 3 241.379 0.803 20 0 BCADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH]cn1 ZINC000908412757 638699232 /nfs/dbraw/zinc/69/92/32/638699232.db2.gz GPOACHBOPLUQFI-KOLCDFICSA-N 1 3 236.319 0.503 20 0 BCADHO CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000910472393 639464947 /nfs/dbraw/zinc/46/49/47/639464947.db2.gz KWTQUBHDTRHNGD-GFCCVEGCSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH+]1CCC(NC[C@@H]2CCN2C)CC1 ZINC000712614185 711473564 /nfs/dbraw/zinc/47/35/64/711473564.db2.gz PSWKKSBGEGMUPF-LBPRGKRZSA-N 1 3 211.353 0.764 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623988 639684804 /nfs/dbraw/zinc/68/48/04/639684804.db2.gz PDWQKOSTXFUQJV-HBNTYKKESA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623985 639685153 /nfs/dbraw/zinc/68/51/53/639685153.db2.gz PDWQKOSTXFUQJV-AXFHLTTASA-N 1 3 227.352 0.700 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911737863 639765252 /nfs/dbraw/zinc/76/52/52/639765252.db2.gz DAUCJXQPOGNTPN-DCAQKATOSA-N 1 3 227.352 0.557 20 0 BCADHO CC[C@@H](C)C[C@@H](N)C(=O)NCC[NH2+]C ZINC000911749174 639775174 /nfs/dbraw/zinc/77/51/74/639775174.db2.gz XLTCHRVCIIGXCA-RKDXNWHRSA-N 1 3 201.314 0.086 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)C[C@H](C)CC ZINC000911751034 639776816 /nfs/dbraw/zinc/77/68/16/639776816.db2.gz TUGUJXQOLIUCHR-ZJUUUORDSA-N 1 3 215.341 0.476 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(C)C ZINC000911828092 639839372 /nfs/dbraw/zinc/83/93/72/639839372.db2.gz YYCAJMKIUZZTMG-NWDGAFQWSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(C)C ZINC000911828093 639839827 /nfs/dbraw/zinc/83/98/27/639839827.db2.gz YYCAJMKIUZZTMG-RYUDHWBXSA-N 1 3 241.379 0.959 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911816563 639848274 /nfs/dbraw/zinc/84/82/74/639848274.db2.gz BVZZNIVBHRMSNA-BJDJZHNGSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](C)C[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911845807 639854370 /nfs/dbraw/zinc/85/43/70/639854370.db2.gz DJUJQZJZIMJDKD-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO CC1(C)CNCCN1C(=O)CC1CC([NH3+])C1 ZINC000911845432 639855163 /nfs/dbraw/zinc/85/51/63/639855163.db2.gz KJIGJTMNTIEWKJ-UHFFFAOYSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911847435 639856041 /nfs/dbraw/zinc/85/60/41/639856041.db2.gz WPLOEAXKKGQRQQ-DTWKUNHWSA-N 1 3 215.341 0.603 20 0 BCADHO CCN1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC000044518698 640398444 /nfs/dbraw/zinc/39/84/44/640398444.db2.gz CGXYDYYHYISAQL-UHFFFAOYSA-N 1 3 248.392 0.353 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(CCc2cnn(C)c2)C1 ZINC000226539962 640773776 /nfs/dbraw/zinc/77/37/76/640773776.db2.gz VYXREODAAHPIOT-JQWIXIFHSA-N 1 3 222.336 0.632 20 0 BCADHO COC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227128227 640817071 /nfs/dbraw/zinc/81/70/71/640817071.db2.gz MFNGLCOSSYTEAE-FGNRJIRKSA-N 1 3 228.336 0.209 20 0 BCADHO COC[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227128227 640817073 /nfs/dbraw/zinc/81/70/73/640817073.db2.gz MFNGLCOSSYTEAE-FGNRJIRKSA-N 1 3 228.336 0.209 20 0 BCADHO CC[C@H](C)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000229255316 640939296 /nfs/dbraw/zinc/93/92/96/640939296.db2.gz VYSOBWKLKZBVPD-WDEREUQCSA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)[C@@H](C)NC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000229256753 640940417 /nfs/dbraw/zinc/94/04/17/640940417.db2.gz MHCBBCLUKGKVDM-VXGBXAGGSA-N 1 3 241.379 0.818 20 0 BCADHO Cn1nccc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000230772649 641092900 /nfs/dbraw/zinc/09/29/00/641092900.db2.gz OXUNMHZFNFEIOW-QWRGUYRKSA-N 1 3 222.336 0.822 20 0 BCADHO Cn1nccc1CCN1CCC[C@@H](C[NH3+])C1 ZINC000230749832 641097235 /nfs/dbraw/zinc/09/72/35/641097235.db2.gz OFLFJCRJRKHODE-NSHDSACASA-N 1 3 222.336 0.633 20 0 BCADHO C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973398 641113564 /nfs/dbraw/zinc/11/35/64/641113564.db2.gz FPSSOXBMARVRQN-GHMZBOCLSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@H](N)C(=O)NCC[NH+]1CCCCCC1 ZINC000040768180 641536124 /nfs/dbraw/zinc/53/61/24/641536124.db2.gz SDTDAIAUTJLYOM-JTQLQIEISA-N 1 3 213.325 0.326 20 0 BCADHO N[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000226417679 641600200 /nfs/dbraw/zinc/60/02/00/641600200.db2.gz WKKRNYSFMUFDQQ-LLVKDONJSA-N 1 3 200.326 0.962 20 0 BCADHO N[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000226417679 641600205 /nfs/dbraw/zinc/60/02/05/641600205.db2.gz WKKRNYSFMUFDQQ-LLVKDONJSA-N 1 3 200.326 0.962 20 0 BCADHO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2CN)CC1=O ZINC000723548247 711516288 /nfs/dbraw/zinc/51/62/88/711516288.db2.gz SJAKMQCNUHHOIU-IJLUTSLNSA-N 1 3 239.363 0.572 20 0 BCADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200247 642324243 /nfs/dbraw/zinc/32/42/43/642324243.db2.gz FWUGUXJYAGRZIO-RYUDHWBXSA-N 1 3 239.363 0.633 20 0 BCADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200247 642324247 /nfs/dbraw/zinc/32/42/47/642324247.db2.gz FWUGUXJYAGRZIO-RYUDHWBXSA-N 1 3 239.363 0.633 20 0 BCADHO CN(CCC[NH3+])C[C@H](O)CC(F)(F)F ZINC000307929574 642347149 /nfs/dbraw/zinc/34/71/49/642347149.db2.gz APVYQGWMYBMFRP-SSDOTTSWSA-N 1 3 214.231 0.580 20 0 BCADHO CCN(CCC(=O)NC)C[C@H]1CCC[NH2+]C1 ZINC000233455467 642670885 /nfs/dbraw/zinc/67/08/85/642670885.db2.gz IMAZUICNFLTXBE-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968912645 642821876 /nfs/dbraw/zinc/82/18/76/642821876.db2.gz NOUYZUHILJVCHJ-VXGBXAGGSA-N 1 3 239.363 0.537 20 0 BCADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000970104009 643295814 /nfs/dbraw/zinc/29/58/14/643295814.db2.gz XOWRNUZQXACCEL-LLVKDONJSA-N 1 3 248.330 0.553 20 0 BCADHO CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970879489 643584360 /nfs/dbraw/zinc/58/43/60/643584360.db2.gz ZCSJNWRVVROHTB-GHMZBOCLSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970879489 643584367 /nfs/dbraw/zinc/58/43/67/643584367.db2.gz ZCSJNWRVVROHTB-GHMZBOCLSA-N 1 3 239.363 0.395 20 0 BCADHO CCOCC[C@H](O)CN1CCC[C@H](C[NH3+])C1 ZINC000923282763 644317986 /nfs/dbraw/zinc/31/79/86/644317986.db2.gz XQMTUKVHIACEIF-NEPJUHHUSA-N 1 3 230.352 0.445 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC000923282575 644318814 /nfs/dbraw/zinc/31/88/14/644318814.db2.gz VWEIZYOGXMNXIE-NWDGAFQWSA-N 1 3 230.352 0.301 20 0 BCADHO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC000923293036 644327966 /nfs/dbraw/zinc/32/79/66/644327966.db2.gz PDXFMSZNGRKWQO-NEPJUHHUSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H]1CN ZINC000923293036 644327969 /nfs/dbraw/zinc/32/79/69/644327969.db2.gz PDXFMSZNGRKWQO-NEPJUHHUSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H]1CN ZINC000923293038 644329204 /nfs/dbraw/zinc/32/92/04/644329204.db2.gz PDXFMSZNGRKWQO-RYUDHWBXSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H]1CN ZINC000923293038 644329208 /nfs/dbraw/zinc/32/92/08/644329208.db2.gz PDXFMSZNGRKWQO-RYUDHWBXSA-N 1 3 230.352 0.443 20 0 BCADHO CC(C)COC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923295709 644331457 /nfs/dbraw/zinc/33/14/57/644331457.db2.gz FJZAZJQWVWATPR-QWHCGFSZSA-N 1 3 246.395 0.983 20 0 BCADHO CSC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000923295130 644331649 /nfs/dbraw/zinc/33/16/49/644331649.db2.gz UTPWWQHUUKAKDX-SECBINFHSA-N 1 3 220.382 0.627 20 0 BCADHO C[C@@](C[NH3+])(NCCO[C@@H]1CCOC1)C1CC1 ZINC000923295756 644332102 /nfs/dbraw/zinc/33/21/02/644332102.db2.gz GLCLKUGFNGDBPV-NEPJUHHUSA-N 1 3 228.336 0.509 20 0 BCADHO CC(C)COC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923295707 644332413 /nfs/dbraw/zinc/33/24/13/644332413.db2.gz FJZAZJQWVWATPR-CHWSQXEVSA-N 1 3 246.395 0.983 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCO[C@@H]1CCOC1 ZINC000923295989 644333528 /nfs/dbraw/zinc/33/35/28/644333528.db2.gz MJYSKZHKFJLRON-NEPJUHHUSA-N 1 3 230.352 0.755 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCCO[C@H]1CCOC1 ZINC000923295990 644333711 /nfs/dbraw/zinc/33/37/11/644333711.db2.gz MJYSKZHKFJLRON-NWDGAFQWSA-N 1 3 230.352 0.755 20 0 BCADHO CCOCCOCCN[C@](C)(C[NH3+])C1CC1 ZINC000923296471 644335996 /nfs/dbraw/zinc/33/59/96/644335996.db2.gz SRZGBBQAIYWUKW-GFCCVEGCSA-N 1 3 230.352 0.757 20 0 BCADHO CCN(C[C@H]1CCCO1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923308205 644337075 /nfs/dbraw/zinc/33/70/75/644337075.db2.gz GKMLGDLLUNHATO-USZNOCQGSA-N 1 3 228.336 0.338 20 0 BCADHO COCC1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923311025 644346325 /nfs/dbraw/zinc/34/63/25/644346325.db2.gz DUXABUQRVNXTID-SRVKXCTJSA-N 1 3 228.336 0.195 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923333192 644354683 /nfs/dbraw/zinc/35/46/83/644354683.db2.gz VLQVLOHXSBSURT-JHJVBQTASA-N 1 3 244.379 0.689 20 0 BCADHO CCOC[C@H](O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336167 644356906 /nfs/dbraw/zinc/35/69/06/644356906.db2.gz QXUKSJMTTMFRKX-CHWSQXEVSA-N 1 3 244.379 0.848 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000923345872 644364013 /nfs/dbraw/zinc/36/40/13/644364013.db2.gz QVMBVYORMHYUJS-AVGNSLFASA-N 1 3 244.379 0.833 20 0 BCADHO CC(C)(C)n1cc(CNC(CN)C[NH3+])cn1 ZINC000923358411 644367157 /nfs/dbraw/zinc/36/71/57/644367157.db2.gz BEDFEXCLQGRQNB-UHFFFAOYSA-N 1 3 225.340 0.014 20 0 BCADHO CCOCC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923357682 644367649 /nfs/dbraw/zinc/36/76/49/644367649.db2.gz ZWCSCAWZYUGUBM-VXGBXAGGSA-N 1 3 230.352 0.445 20 0 BCADHO CO[C@H](CNC(CN)C[NH3+])c1ccc(F)cc1 ZINC000923358431 644368400 /nfs/dbraw/zinc/36/84/00/644368400.db2.gz BSGAEHILUWDPPX-GFCCVEGCSA-N 1 3 241.310 0.389 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1ccc(F)c(F)c1 ZINC000923352309 644370231 /nfs/dbraw/zinc/37/02/31/644370231.db2.gz ULMQDOLKCWYSJT-SSDOTTSWSA-N 1 3 229.274 0.901 20 0 BCADHO CC(C)COC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923354248 644370260 /nfs/dbraw/zinc/37/02/60/644370260.db2.gz BAQUTOMSDNEPBH-CHWSQXEVSA-N 1 3 244.379 0.691 20 0 BCADHO NCC(CN)[NH2+]CCCc1cccc(F)c1 ZINC000923354235 644370272 /nfs/dbraw/zinc/37/02/72/644370272.db2.gz LPOSYVHSASRFGR-UHFFFAOYSA-N 1 3 225.311 0.634 20 0 BCADHO CC(C)(C)c1csc(CNC(CN)C[NH3+])n1 ZINC000923354503 644372083 /nfs/dbraw/zinc/37/20/83/644372083.db2.gz QODBHJANUGVIDA-UHFFFAOYSA-N 1 3 242.392 0.816 20 0 BCADHO CC(C)(C)c1nc(CNC(CN)C[NH3+])co1 ZINC000923355608 644373067 /nfs/dbraw/zinc/37/30/67/644373067.db2.gz BHWZDFGAKGPGNE-UHFFFAOYSA-N 1 3 226.324 0.348 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1ncc(C(C)(C)C)o1 ZINC000923354860 644373538 /nfs/dbraw/zinc/37/35/38/644373538.db2.gz WXQRFQRJMPMVMF-QMMMGPOBSA-N 1 3 240.351 0.909 20 0 BCADHO CCOC[C@@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923371636 644383930 /nfs/dbraw/zinc/38/39/30/644383930.db2.gz CNYKXHAZTFZBLG-STQMWFEESA-N 1 3 244.379 0.881 20 0 BCADHO NCC(C[NH3+])NCc1csc(Cl)n1 ZINC000923359450 644384482 /nfs/dbraw/zinc/38/44/82/644384482.db2.gz PWNLPCJBBVZJRO-UHFFFAOYSA-N 1 3 220.729 0.172 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375674 644389195 /nfs/dbraw/zinc/38/91/95/644389195.db2.gz OYEKNWLFCRZLRS-UPJWGTAASA-N 1 3 244.379 0.691 20 0 BCADHO C[C@H](O)CN(CC[NH3+])C1CCCCC1 ZINC000083677593 644407098 /nfs/dbraw/zinc/40/70/98/644407098.db2.gz IVJZDXLUTJSTIN-JTQLQIEISA-N 1 3 200.326 0.961 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NCCO[C@H]1CCOC1 ZINC000923422437 644418671 /nfs/dbraw/zinc/41/86/71/644418671.db2.gz RXEGVNAQDJEDOB-AXFHLTTASA-N 1 3 228.336 0.507 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@H]1NCCO[C@H]1CCOC1 ZINC000923422439 644419153 /nfs/dbraw/zinc/41/91/53/644419153.db2.gz RXEGVNAQDJEDOB-HBNTYKKESA-N 1 3 228.336 0.507 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1CCNCCC12CCC2 ZINC000923424379 644419351 /nfs/dbraw/zinc/41/93/51/644419351.db2.gz WZIXSVSHJLRFBP-NSHDSACASA-N 1 3 244.404 0.928 20 0 BCADHO CSC[C@@H](O)C[N@H+]1CCNCCC12CCC2 ZINC000923424379 644419355 /nfs/dbraw/zinc/41/93/55/644419355.db2.gz WZIXSVSHJLRFBP-NSHDSACASA-N 1 3 244.404 0.928 20 0 BCADHO COC[C@@H](O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923429276 644421777 /nfs/dbraw/zinc/42/17/77/644421777.db2.gz YJQADAQGUOYFTQ-STQMWFEESA-N 1 3 242.363 0.459 20 0 BCADHO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C[C@H]1CNCCO1 ZINC000923436868 644428302 /nfs/dbraw/zinc/42/83/02/644428302.db2.gz SVTPRHPIFIVMRK-NNYUYHANSA-N 1 3 227.352 0.046 20 0 BCADHO CC(C)(C)NCc1cn(CCC[NH3+])nn1 ZINC000085273523 644438353 /nfs/dbraw/zinc/43/83/53/644438353.db2.gz DYRFXXHKQLNZLD-UHFFFAOYSA-N 1 3 211.313 0.515 20 0 BCADHO CC1(C)CO[C@@H](CN2CCNCC[NH2+]CC2)C1 ZINC000923461558 644445880 /nfs/dbraw/zinc/44/58/80/644445880.db2.gz ZBKRIIVYELSTKT-GFCCVEGCSA-N 1 3 241.379 0.296 20 0 BCADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCC2CCC2)C1 ZINC000923481032 644458367 /nfs/dbraw/zinc/45/83/67/644458367.db2.gz FTHWSVZKXSIZGX-GFCCVEGCSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923499333 644474028 /nfs/dbraw/zinc/47/40/28/644474028.db2.gz JYGKJQUWGDMLPD-HRDYMLBCSA-N 1 3 240.269 0.826 20 0 BCADHO CCn1cc(CCN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515586 644479099 /nfs/dbraw/zinc/47/90/99/644479099.db2.gz IBWHUVPNKBQJCJ-UONOGXRCSA-N 1 3 248.374 0.987 20 0 BCADHO c1nc2n(n1)[C@H](CN1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC000923515955 644479439 /nfs/dbraw/zinc/47/94/39/644479439.db2.gz OXESKLIEQRKESY-TUAOUCFPSA-N 1 3 247.346 0.307 20 0 BCADHO C[C@@H]1CN(CCN2CCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000923516077 644479836 /nfs/dbraw/zinc/47/98/36/644479836.db2.gz QMNHXCISEQRIOF-FRRDWIJNSA-N 1 3 241.379 0.234 20 0 BCADHO C[C@@H]1C[N@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1CN ZINC000923515502 644480023 /nfs/dbraw/zinc/48/00/23/644480023.db2.gz XBXHDDWOULTSLG-FDYHWXHSSA-N 1 3 224.348 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@H]2C[C@@]23CCOC3)C[C@H]1CN ZINC000923515502 644480029 /nfs/dbraw/zinc/48/00/29/644480029.db2.gz XBXHDDWOULTSLG-FDYHWXHSSA-N 1 3 224.348 0.940 20 0 BCADHO CC(C)CNC(=O)C1CCN(CCC[NH3+])CC1 ZINC000923525621 644485605 /nfs/dbraw/zinc/48/56/05/644485605.db2.gz IAWTUCMYQZNBEW-UHFFFAOYSA-N 1 3 241.379 0.819 20 0 BCADHO COC(=O)[C@@H]1CCN(CCOCC[NH3+])[C@H](C)C1 ZINC000923552101 644495939 /nfs/dbraw/zinc/49/59/39/644495939.db2.gz UCRZAPSCPGTODI-GHMZBOCLSA-N 1 3 244.335 0.235 20 0 BCADHO COC[C@@H]1COCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000923556271 644501870 /nfs/dbraw/zinc/50/18/70/644501870.db2.gz FXZQBSDFCBQMDH-GRYCIOLGSA-N 1 3 228.336 0.461 20 0 BCADHO COC[C@@H](O)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516585 644692347 /nfs/dbraw/zinc/69/23/47/644692347.db2.gz NXMAWUIMMWOHSA-UPJWGTAASA-N 1 3 244.379 0.894 20 0 BCADHO C[C@H]1CN(CC(=O)NCC2CC2)CC[C@H]1C[NH3+] ZINC000251736964 644818191 /nfs/dbraw/zinc/81/81/91/644818191.db2.gz KQKFVCSHRANLGP-JQWIXIFHSA-N 1 3 239.363 0.429 20 0 BCADHO CC[C@H](O)CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252546944 644864377 /nfs/dbraw/zinc/86/43/77/644864377.db2.gz LBAWTEISVDKCOE-SDDRHHMPSA-N 1 3 228.336 0.210 20 0 BCADHO CC[C@H](O)CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252546944 644864381 /nfs/dbraw/zinc/86/43/81/644864381.db2.gz LBAWTEISVDKCOE-SDDRHHMPSA-N 1 3 228.336 0.210 20 0 BCADHO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000304334581 644894018 /nfs/dbraw/zinc/89/40/18/644894018.db2.gz ICSFPLKSXOYREI-MNOVXSKESA-N 1 3 225.336 0.182 20 0 BCADHO C[N@H+]1CC[C@H](CNC(=O)[C@@H](N)CC2CC2)C1 ZINC000304334581 644894020 /nfs/dbraw/zinc/89/40/20/644894020.db2.gz ICSFPLKSXOYREI-MNOVXSKESA-N 1 3 225.336 0.182 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000844188674 645316179 /nfs/dbraw/zinc/31/61/79/645316179.db2.gz XSSSXSMPTLDNSP-CMPLNLGQSA-N 1 3 243.326 0.146 20 0 BCADHO C[C@H]1CCN(CCNC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000844188675 645317603 /nfs/dbraw/zinc/31/76/03/645317603.db2.gz XSSSXSMPTLDNSP-JQWIXIFHSA-N 1 3 243.326 0.146 20 0 BCADHO C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C ZINC000928427389 645742679 /nfs/dbraw/zinc/74/26/79/645742679.db2.gz JYPJTXNQMRDZSE-GHMZBOCLSA-N 1 3 237.347 0.291 20 0 BCADHO CN1CCCN(C(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000123570035 645760101 /nfs/dbraw/zinc/76/01/01/645760101.db2.gz XCFFIUXOPOUKBR-NSHDSACASA-N 1 3 225.336 0.278 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H](N)CC1CC1 ZINC000884269490 645871452 /nfs/dbraw/zinc/87/14/52/645871452.db2.gz PCMRLXYTUPKPIC-IEBDPFPHSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CN(C[C@@H]2C[C@]23CCOC3)C[C@H]1[NH3+] ZINC000886839325 645890953 /nfs/dbraw/zinc/89/09/53/645890953.db2.gz BTFCQHUGECWZMX-KXNHARMFSA-N 1 3 210.321 0.692 20 0 BCADHO C[NH2+]CCCN(C)C[C@H]1C[C@]12CCOC2 ZINC000886839577 645891834 /nfs/dbraw/zinc/89/18/34/645891834.db2.gz HWDQSDCQHRMFPZ-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)O)C[C@H]1C ZINC000929779706 646309984 /nfs/dbraw/zinc/30/99/84/646309984.db2.gz HRXHZOXAYYDCMA-VOAKCMCISA-N 1 3 244.379 0.533 20 0 BCADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)O)C[C@H]1C ZINC000929779706 646309987 /nfs/dbraw/zinc/30/99/87/646309987.db2.gz HRXHZOXAYYDCMA-VOAKCMCISA-N 1 3 244.379 0.533 20 0 BCADHO CN1CCC[C@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925564144 646337065 /nfs/dbraw/zinc/33/70/65/646337065.db2.gz HKCBGDJCVFSZLG-RYUDHWBXSA-N 1 3 223.364 0.955 20 0 BCADHO CCN1CCCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925574514 646342498 /nfs/dbraw/zinc/34/24/98/646342498.db2.gz RKKJXNIOCPCPEN-STQMWFEESA-N 1 3 241.379 0.439 20 0 BCADHO CCn1cnnc1CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925575102 646342740 /nfs/dbraw/zinc/34/27/40/646342740.db2.gz UXVBEIMCINECDN-MNOVXSKESA-N 1 3 249.362 0.700 20 0 BCADHO COCCOC[C@H](C)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925576082 646342744 /nfs/dbraw/zinc/34/27/44/646342744.db2.gz VDBVHELJALKJDA-SDDRHHMPSA-N 1 3 242.363 0.897 20 0 BCADHO COCCOC[C@H](C)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925576082 646342745 /nfs/dbraw/zinc/34/27/45/646342745.db2.gz VDBVHELJALKJDA-SDDRHHMPSA-N 1 3 242.363 0.897 20 0 BCADHO CN1C[C@H](N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593107 646349001 /nfs/dbraw/zinc/34/90/01/646349001.db2.gz CVSJVYXWBLRGJY-HBNTYKKESA-N 1 3 239.363 0.713 20 0 BCADHO Cc1nnc(CCN[C@H]2CC[NH2+]C23CCC3)[nH]1 ZINC000925633479 646378358 /nfs/dbraw/zinc/37/83/58/646378358.db2.gz XPZNFIYSVLXKRX-JTQLQIEISA-N 1 3 235.335 0.530 20 0 BCADHO C[C@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693830 646419524 /nfs/dbraw/zinc/41/95/24/646419524.db2.gz SGJKFXBDENCPDG-WUFAPUTGSA-N 1 3 210.321 0.628 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693821 646420169 /nfs/dbraw/zinc/42/01/69/646420169.db2.gz SGJKFXBDENCPDG-OWSRUXPGSA-N 1 3 210.321 0.628 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1N[C@H]1C[C@@H](O)C1)[NH2+]2 ZINC000925693832 646420307 /nfs/dbraw/zinc/42/03/07/646420307.db2.gz SGJKFXBDENCPDG-ZNSALQAWSA-N 1 3 210.321 0.628 20 0 BCADHO FC1(F)CCNC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000925713958 646438009 /nfs/dbraw/zinc/43/80/09/646438009.db2.gz ZMDYMNNVBGLJRK-UWVGGRQHSA-N 1 3 245.317 0.858 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](N)C23CCC3)C1 ZINC000925719982 646443886 /nfs/dbraw/zinc/44/38/86/646443886.db2.gz CCTHBUCJGSAIHR-UTUOFQBUSA-N 1 3 237.347 0.467 20 0 BCADHO CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H](N)C23CCC3)C1 ZINC000925719718 646444495 /nfs/dbraw/zinc/44/44/95/646444495.db2.gz CCTHBUCJGSAIHR-GRYCIOLGSA-N 1 3 237.347 0.467 20 0 BCADHO NC(=O)[C@H]1C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925721008 646445843 /nfs/dbraw/zinc/44/58/43/646445843.db2.gz WMWXJFBXIFYCCR-AATLWQCWSA-N 1 3 223.320 0.110 20 0 BCADHO CC(C)[C@H]1CN([C@H]2C[NH2+]CCOC2)CCN1C ZINC000925725849 646451064 /nfs/dbraw/zinc/45/10/64/646451064.db2.gz BZAPIYCAZWIZDH-QWHCGFSZSA-N 1 3 241.379 0.247 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(N)ccn1 ZINC000925768712 646468941 /nfs/dbraw/zinc/46/89/41/646468941.db2.gz WAHBOKMASWTEST-SKDRFNHKSA-N 1 3 220.320 0.751 20 0 BCADHO NC(=O)CC1CC(N[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925825339 646498064 /nfs/dbraw/zinc/49/80/64/646498064.db2.gz ZDOGBUFMRVXGAM-QQFIATSDSA-N 1 3 239.363 0.890 20 0 BCADHO CCOCCOCCN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000925875194 646526135 /nfs/dbraw/zinc/52/61/35/646526135.db2.gz QITXVXDDIRMGIZ-NEPJUHHUSA-N 1 3 230.352 0.627 20 0 BCADHO CCOC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723922551 711545667 /nfs/dbraw/zinc/54/56/67/711545667.db2.gz OTLNDGGCBSMCIV-GMTAPVOTSA-N 1 3 228.336 0.855 20 0 BCADHO CC[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720904024 711686791 /nfs/dbraw/zinc/68/67/91/711686791.db2.gz WBSXLBUSQIVWNG-QWRGUYRKSA-N 1 3 225.336 0.291 20 0 BCADHO CC[C@H](CN1CCOCC1)N[C@H](C)C[C@H](C)[NH3+] ZINC000925819375 711755661 /nfs/dbraw/zinc/75/56/61/711755661.db2.gz AZZNTYNQSXUVSO-YNEHKIRRSA-N 1 3 243.395 0.813 20 0 BCADHO COC[C@H](C[N@H+](C)C[C@@H](O)CN)C(C)C ZINC000721911787 711917295 /nfs/dbraw/zinc/91/72/95/711917295.db2.gz KKTWGOMPAIEYSZ-QWRGUYRKSA-N 1 3 218.341 0.156 20 0 BCADHO COC[C@H](C[N@@H+](C)C[C@@H](O)CN)C(C)C ZINC000721911787 711917298 /nfs/dbraw/zinc/91/72/98/711917298.db2.gz KKTWGOMPAIEYSZ-QWRGUYRKSA-N 1 3 218.341 0.156 20 0 BCADHO N[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCSC2)C12CCC2 ZINC000702273595 712044346 /nfs/dbraw/zinc/04/43/46/712044346.db2.gz UYDKYHQQVQNLDA-OUAUKWLOSA-N 1 3 242.388 0.714 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](N)CCC(C)C ZINC000704463424 712109163 /nfs/dbraw/zinc/10/91/63/712109163.db2.gz XFIPJBSPHSQJKZ-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000709039208 712205712 /nfs/dbraw/zinc/20/57/12/712205712.db2.gz ZQHDGWCUTPNDES-RYUDHWBXSA-N 1 3 230.352 0.587 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000709039208 712205714 /nfs/dbraw/zinc/20/57/14/712205714.db2.gz ZQHDGWCUTPNDES-RYUDHWBXSA-N 1 3 230.352 0.587 20 0 BCADHO C[C@@H]1COC[C@@H]1N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000710965446 712269757 /nfs/dbraw/zinc/26/97/57/712269757.db2.gz VDFPCTRYMWNRPW-VPOLOUISSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000710965446 712269759 /nfs/dbraw/zinc/26/97/59/712269759.db2.gz VDFPCTRYMWNRPW-VPOLOUISSA-N 1 3 210.321 0.881 20 0 BCADHO C[C@H](N(C)C[C@@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874986 712282374 /nfs/dbraw/zinc/28/23/74/712282374.db2.gz QFVUUGYHWIZUQM-NWDGAFQWSA-N 1 3 244.379 0.534 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711312681 712293695 /nfs/dbraw/zinc/29/36/95/712293695.db2.gz YKMMPIVVQLKEGS-QWRGUYRKSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H](N)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000712667792 712439604 /nfs/dbraw/zinc/43/96/04/712439604.db2.gz DBQVSXHNZXIMHB-SECBINFHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712667792 712439608 /nfs/dbraw/zinc/43/96/08/712439608.db2.gz DBQVSXHNZXIMHB-SECBINFHSA-N 1 3 213.325 0.276 20 0 BCADHO C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720895498 712876796 /nfs/dbraw/zinc/87/67/96/712876796.db2.gz XWGJZHOOZNRBSB-IVZWLZJFSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720895498 712876798 /nfs/dbraw/zinc/87/67/98/712876798.db2.gz XWGJZHOOZNRBSB-IVZWLZJFSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720895498 712876800 /nfs/dbraw/zinc/87/68/00/712876800.db2.gz XWGJZHOOZNRBSB-IVZWLZJFSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCC[C@@H]1CC(=O)N(C)C1 ZINC000723599122 710729113 /nfs/dbraw/zinc/72/91/13/710729113.db2.gz IIBNMKMIBSEGOU-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CN(CC(=O)NC2CC2)CC[C@@H]1C[NH3+] ZINC000133092308 710968575 /nfs/dbraw/zinc/96/85/75/710968575.db2.gz SRKDFMAGSNMQQL-NXEZZACHSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)[C@H]1CO ZINC000382923935 710974644 /nfs/dbraw/zinc/97/46/44/710974644.db2.gz SUMWKYOZAARMJQ-AGIUHOORSA-N 1 3 242.363 0.146 20 0 BCADHO C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)[C@H]1CO ZINC000382924306 710974989 /nfs/dbraw/zinc/97/49/89/710974989.db2.gz SUMWKYOZAARMJQ-UPJWGTAASA-N 1 3 242.363 0.146 20 0 BCADHO CC[C@]1(NC[C@H](O)C[NH+]2CCCC2)CCOC1 ZINC000383125731 710978230 /nfs/dbraw/zinc/97/82/30/710978230.db2.gz ULBUEWMYUSRYEA-STQMWFEESA-N 1 3 242.363 0.602 20 0 BCADHO C[C@H](NC(CN)C[NH3+])c1ccccc1F ZINC000393771487 711173444 /nfs/dbraw/zinc/17/34/44/711173444.db2.gz HLUVMXBWEHYBFS-QMMMGPOBSA-N 1 3 211.284 0.762 20 0 BCADHO COC[C@H](CCO)[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396619000 711360742 /nfs/dbraw/zinc/36/07/42/711360742.db2.gz HDGHYGPRFSETJM-OUAUKWLOSA-N 1 3 216.325 0.114 20 0 BCADHO CC[C@H](CCO)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396562498 711355091 /nfs/dbraw/zinc/35/50/91/711355091.db2.gz ILUMXSWYJNOZEQ-MXWKQRLJSA-N 1 3 200.326 0.878 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NCCCC(=O)N(C)C ZINC000396591677 711356641 /nfs/dbraw/zinc/35/66/41/711356641.db2.gz CLWLVGDAGZTNQU-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NCCCC(=O)N(C)C ZINC000396591675 711358074 /nfs/dbraw/zinc/35/80/74/711358074.db2.gz CLWLVGDAGZTNQU-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CNC(=O)CCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000398310749 711408472 /nfs/dbraw/zinc/40/84/72/711408472.db2.gz LBHPFQZHILSKLH-NXEZZACHSA-N 1 3 213.325 0.243 20 0 BCADHO C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H](O)CN ZINC000399257273 711424655 /nfs/dbraw/zinc/42/46/55/711424655.db2.gz MRRDVTOCEAARAK-YUMQZZPRSA-N 1 3 241.162 0.822 20 0 BCADHO C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H](O)CN ZINC000399257273 711424658 /nfs/dbraw/zinc/42/46/58/711424658.db2.gz MRRDVTOCEAARAK-YUMQZZPRSA-N 1 3 241.162 0.822 20 0 BCADHO CN(CC[C@H]1CC1(Cl)Cl)C[C@@H](O)C[NH3+] ZINC000399257273 711424663 /nfs/dbraw/zinc/42/46/63/711424663.db2.gz MRRDVTOCEAARAK-YUMQZZPRSA-N 1 3 241.162 0.822 20 0 BCADHO C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](O)CN ZINC000399257268 711424818 /nfs/dbraw/zinc/42/48/18/711424818.db2.gz MRRDVTOCEAARAK-JGVFFNPUSA-N 1 3 241.162 0.822 20 0 BCADHO C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](O)CN ZINC000399257268 711424820 /nfs/dbraw/zinc/42/48/20/711424820.db2.gz MRRDVTOCEAARAK-JGVFFNPUSA-N 1 3 241.162 0.822 20 0 BCADHO CN(CC[C@H]1CC1(Cl)Cl)C[C@H](O)C[NH3+] ZINC000399257268 711424823 /nfs/dbraw/zinc/42/48/23/711424823.db2.gz MRRDVTOCEAARAK-JGVFFNPUSA-N 1 3 241.162 0.822 20 0 BCADHO CCOC[C@@H](O)CN[C@H]1CC[NH2+]CC1(C)C ZINC000381258004 710612224 /nfs/dbraw/zinc/61/22/24/710612224.db2.gz QTXMCKCHXJCDBQ-QWRGUYRKSA-N 1 3 230.352 0.362 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@H]1CCNCC1(C)C ZINC000381258004 710612250 /nfs/dbraw/zinc/61/22/50/710612250.db2.gz QTXMCKCHXJCDBQ-QWRGUYRKSA-N 1 3 230.352 0.362 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000396707769 711366681 /nfs/dbraw/zinc/36/66/81/711366681.db2.gz NWOCVKZXVDQBRR-LOWVWBTDSA-N 1 3 223.364 0.953 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074565005 711443778 /nfs/dbraw/zinc/44/37/78/711443778.db2.gz NPDVGKQWFOKYMX-SDDRHHMPSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@@H](C(N)=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714426118 711506071 /nfs/dbraw/zinc/50/60/71/711506071.db2.gz FAXHSUZLVABRNP-VIFPVBQESA-N 1 3 227.352 0.557 20 0 BCADHO CN1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2CN)CC1=O ZINC000723548245 711516228 /nfs/dbraw/zinc/51/62/28/711516228.db2.gz SJAKMQCNUHHOIU-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CN([C@H]2CCOC2=O)C[C@H]1CC[NH3+] ZINC000723901173 711544427 /nfs/dbraw/zinc/54/44/27/711544427.db2.gz OJEHCFBUEJTNGP-BBBLOLIVSA-N 1 3 212.293 0.219 20 0 BCADHO COC(=O)[C@H](C)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723901467 711544757 /nfs/dbraw/zinc/54/47/57/711544757.db2.gz PKYSTGFPSMEWFN-KXUCPTDWSA-N 1 3 214.309 0.465 20 0 BCADHO C[C@@H]1CN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C[C@H]1C[NH3+] ZINC000724560873 711590852 /nfs/dbraw/zinc/59/08/52/711590852.db2.gz XMQJQPDCHARBPF-FHUSYTEZSA-N 1 3 240.347 0.317 20 0 BCADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724621141 711600249 /nfs/dbraw/zinc/60/02/49/711600249.db2.gz RLVOULOZRLTGRY-NGDQXYMTSA-N 1 3 240.347 0.506 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724621141 711600247 /nfs/dbraw/zinc/60/02/47/711600247.db2.gz RLVOULOZRLTGRY-NGDQXYMTSA-N 1 3 240.347 0.506 20 0 BCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCO[C@H]1CCOC1)C2 ZINC000724960432 711634387 /nfs/dbraw/zinc/63/43/87/711634387.db2.gz NSNVNGNAASWKOY-CYDGBPFRSA-N 1 3 240.347 0.604 20 0 BCADHO Cc1ccc(CC[NH2+]C(CN)CN)cc1 ZINC000309565876 711699427 /nfs/dbraw/zinc/69/94/27/711699427.db2.gz QOLMKWNNYNDKHA-UHFFFAOYSA-N 1 3 207.321 0.413 20 0 BCADHO OCC[C@H]1CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000310321529 711704424 /nfs/dbraw/zinc/70/44/24/711704424.db2.gz UYCVYZUIKLBKCR-OLZOCXBDSA-N 1 3 242.363 0.290 20 0 BCADHO CC[C@H](CN1CCOCC1)NC1CC[NH2+]CC1 ZINC000925821445 711756196 /nfs/dbraw/zinc/75/61/96/711756196.db2.gz JGUSXGJHYDGQOO-GFCCVEGCSA-N 1 3 241.379 0.439 20 0 BCADHO COC(=O)N(C)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000701680440 712027552 /nfs/dbraw/zinc/02/75/52/712027552.db2.gz IVFORFAZDADODN-VHSXEESVSA-N 1 3 229.324 0.402 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000701680440 712027555 /nfs/dbraw/zinc/02/75/55/712027555.db2.gz IVFORFAZDADODN-VHSXEESVSA-N 1 3 229.324 0.402 20 0 BCADHO N[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCSC2)C12CCC2 ZINC000702273587 712043717 /nfs/dbraw/zinc/04/37/17/712043717.db2.gz UYDKYHQQVQNLDA-GMTAPVOTSA-N 1 3 242.388 0.714 20 0 BCADHO CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034884350 712099154 /nfs/dbraw/zinc/09/91/54/712099154.db2.gz GELJEKLHAHWJQL-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001035062374 712110998 /nfs/dbraw/zinc/11/09/98/712110998.db2.gz IEUMYLIELXBRKE-LLVKDONJSA-N 1 3 236.319 0.553 20 0 BCADHO CO[C@H]1C[C@@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000708695438 712196915 /nfs/dbraw/zinc/19/69/15/712196915.db2.gz GJXSTCCYDKYBBZ-BUWWMVEJSA-N 1 3 236.359 0.997 20 0 BCADHO Cc1cc(C)nc(CNC(CN)C[NH3+])c1 ZINC000710083724 712245119 /nfs/dbraw/zinc/24/51/19/712245119.db2.gz JNISICALYGKZDJ-UHFFFAOYSA-N 1 3 208.309 0.074 20 0 BCADHO C[C@H](C(N)=O)N(C)CCCCCC[NH3+] ZINC000711167880 712287359 /nfs/dbraw/zinc/28/73/59/712287359.db2.gz DHYLRAOVWOVHMO-SECBINFHSA-N 1 3 201.314 0.311 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711569072 712311183 /nfs/dbraw/zinc/31/11/83/712311183.db2.gz YCVSVUBHPPCVII-GRYCIOLGSA-N 1 3 244.404 0.594 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711569072 712311184 /nfs/dbraw/zinc/31/11/84/712311184.db2.gz YCVSVUBHPPCVII-GRYCIOLGSA-N 1 3 244.404 0.594 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000712668373 712439931 /nfs/dbraw/zinc/43/99/31/712439931.db2.gz JJPUNQDMCDRJBB-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO COC[C@H](O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715010022 712504057 /nfs/dbraw/zinc/50/40/57/712504057.db2.gz JWJJLOUAQSJYCH-QJPTWQEYSA-N 1 3 228.336 0.068 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715124239 712510764 /nfs/dbraw/zinc/51/07/64/712510764.db2.gz KXLASKSFOPGQEW-CIUDSAMLSA-N 1 3 247.289 0.037 20 0 BCADHO [NH3+]CCOCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715462454 712519761 /nfs/dbraw/zinc/51/97/61/712519761.db2.gz UXNIQPIVGJELJP-OCAPTIKFSA-N 1 3 206.236 0.159 20 0 BCADHO CN(C)CCCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716157684 712552399 /nfs/dbraw/zinc/55/23/99/712552399.db2.gz IVXSRBYMHHHIEK-UHFFFAOYSA-N 1 3 248.392 0.493 20 0 BCADHO C[NH2+]CCCN(CCOC)C1CCOCC1 ZINC000716417150 712559727 /nfs/dbraw/zinc/55/97/27/712559727.db2.gz YPESOSFMDVBPAR-UHFFFAOYSA-N 1 3 230.352 0.723 20 0 BCADHO N[C@H](CC(F)F)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163946 712750495 /nfs/dbraw/zinc/75/04/95/712750495.db2.gz VVKAAKFUXZQFJL-HRDYMLBCSA-N 1 3 220.263 0.547 20 0 BCADHO N[C@H](CC(F)F)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718163946 712750497 /nfs/dbraw/zinc/75/04/97/712750497.db2.gz VVKAAKFUXZQFJL-HRDYMLBCSA-N 1 3 220.263 0.547 20 0 BCADHO O[C@H](CN1C[C@@H]2COC[C@@H]2C1)C[NH+]1CCCC1 ZINC000718319137 712754983 /nfs/dbraw/zinc/75/49/83/712754983.db2.gz NKISZPANAJZUSO-XQQFMLRXSA-N 1 3 240.347 0.021 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(CC(N)=O)C1 ZINC000718461523 712763713 /nfs/dbraw/zinc/76/37/13/712763713.db2.gz UWINZVIEFKVETK-ADPBJBESSA-N 1 3 239.363 0.748 20 0 BCADHO C[C@H]1CCN(CCN2CC[NH2+]CC2)CCO1 ZINC000719776869 712823679 /nfs/dbraw/zinc/82/36/79/712823679.db2.gz DZQKHRSPJQBYAT-LBPRGKRZSA-N 1 3 227.352 0.002 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000720888196 712874170 /nfs/dbraw/zinc/87/41/70/712874170.db2.gz MHRJRNGKPGXDPE-MXWKQRLJSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720887326 712874381 /nfs/dbraw/zinc/87/43/81/712874381.db2.gz IGLRSSRZABZGIK-QJPTWQEYSA-N 1 3 239.363 0.680 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720898768 712875043 /nfs/dbraw/zinc/87/50/43/712875043.db2.gz LDQCHINXUBFPQF-NNYUYHANSA-N 1 3 239.363 0.665 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000720901573 712875777 /nfs/dbraw/zinc/87/57/77/712875777.db2.gz SKBYMJGOXKRRLJ-FRRDWIJNSA-N 1 3 249.358 0.729 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000720901585 712875816 /nfs/dbraw/zinc/87/58/16/712875816.db2.gz SKBYMJGOXKRRLJ-YNEHKIRRSA-N 1 3 249.358 0.729 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000720901476 712875970 /nfs/dbraw/zinc/87/59/70/712875970.db2.gz SALRTASNGGPNAT-WRWGMCAJSA-N 1 3 237.347 0.419 20 0 BCADHO C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720895501 712876631 /nfs/dbraw/zinc/87/66/31/712876631.db2.gz XWGJZHOOZNRBSB-LPEHRKFASA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720895501 712876632 /nfs/dbraw/zinc/87/66/32/712876632.db2.gz XWGJZHOOZNRBSB-LPEHRKFASA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720895501 712876634 /nfs/dbraw/zinc/87/66/34/712876634.db2.gz XWGJZHOOZNRBSB-LPEHRKFASA-N 1 3 211.309 0.029 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CNCCO1 ZINC000720904152 712877189 /nfs/dbraw/zinc/87/71/89/712877189.db2.gz YZZQTVNSDLHGOC-FRRDWIJNSA-N 1 3 239.363 0.143 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CNCCO1 ZINC000720904152 712877192 /nfs/dbraw/zinc/87/71/92/712877192.db2.gz YZZQTVNSDLHGOC-FRRDWIJNSA-N 1 3 239.363 0.143 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@@H]1CC12CCC2)C1CC1 ZINC000721177687 712896253 /nfs/dbraw/zinc/89/62/53/712896253.db2.gz QREUPINESHDQQR-VXGBXAGGSA-N 1 3 224.348 0.974 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@@H]1CC12CCC2)C1CC1 ZINC000721177687 712896250 /nfs/dbraw/zinc/89/62/50/712896250.db2.gz QREUPINESHDQQR-VXGBXAGGSA-N 1 3 224.348 0.974 20 0 BCADHO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCN(C2CC2)C1 ZINC000649322651 398144650 /nfs/dbraw/zinc/14/46/50/398144650.db2.gz CGTOQKLCNGMNFM-NDBYEHHHSA-N 1 3 249.358 0.147 20 0 BCADHO CC[C@@H](N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124224 349506574 /nfs/dbraw/zinc/50/65/74/349506574.db2.gz WAULCOMBFUUKJW-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CC[C@H](C)C1 ZINC000649342024 398159087 /nfs/dbraw/zinc/15/90/87/398159087.db2.gz HUNPEORFRSLLND-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[NH2+]CC1CCN(CC(=O)N2CCCC2)CC1 ZINC000063166129 349500651 /nfs/dbraw/zinc/50/06/51/349500651.db2.gz GVOBFNNUJIGTBZ-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CC[C@H](C(N)=O)N1CCC(C[NH2+]C)CC1 ZINC000063166272 349500767 /nfs/dbraw/zinc/50/07/67/349500767.db2.gz RFJIFYDDNDGHTP-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972770 349503561 /nfs/dbraw/zinc/50/35/61/349503561.db2.gz UVVBUFAJFQQSTB-WDEREUQCSA-N 1 3 227.352 0.666 20 0 BCADHO COCCN(C)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000422906126 398157096 /nfs/dbraw/zinc/15/70/96/398157096.db2.gz JEQANALMMTVLKI-OLZOCXBDSA-N 1 3 243.395 0.542 20 0 BCADHO COCCN(C)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422906127 398157359 /nfs/dbraw/zinc/15/73/59/398157359.db2.gz JEQANALMMTVLKI-QWHCGFSZSA-N 1 3 243.395 0.542 20 0 BCADHO N[C@H]1CCC[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000563426297 398171035 /nfs/dbraw/zinc/17/10/35/398171035.db2.gz RTMFUZLECVXXPJ-NWDGAFQWSA-N 1 3 242.363 0.635 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCC2(CO)CCOCC2)C1 ZINC000563426297 398171042 /nfs/dbraw/zinc/17/10/42/398171042.db2.gz RTMFUZLECVXXPJ-NWDGAFQWSA-N 1 3 242.363 0.635 20 0 BCADHO C[C@]1(C[NH3+])CCN(CCc2cn[nH]c2)C1 ZINC000379860332 398172864 /nfs/dbraw/zinc/17/28/64/398172864.db2.gz LRUMUKWRRZSZFR-LLVKDONJSA-N 1 3 208.309 0.623 20 0 BCADHO C[C@]1(CN)CC[N@H+](CCc2cn[nH]c2)C1 ZINC000379860332 398172865 /nfs/dbraw/zinc/17/28/65/398172865.db2.gz LRUMUKWRRZSZFR-LLVKDONJSA-N 1 3 208.309 0.623 20 0 BCADHO C[C@]1(CN)CC[N@@H+](CCc2cn[nH]c2)C1 ZINC000379860332 398172866 /nfs/dbraw/zinc/17/28/66/398172866.db2.gz LRUMUKWRRZSZFR-LLVKDONJSA-N 1 3 208.309 0.623 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000649348366 398161669 /nfs/dbraw/zinc/16/16/69/398161669.db2.gz JHTUYAPGDSKJPT-MVWJERBFSA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CN1C1CC1 ZINC000649348484 398162392 /nfs/dbraw/zinc/16/23/92/398162392.db2.gz MBUJQNJZNPJONZ-XZPDDHLCSA-N 1 3 249.358 0.193 20 0 BCADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H]1CCC[NH2+]1 ZINC000258783985 349514241 /nfs/dbraw/zinc/51/42/41/349514241.db2.gz TYMDMHIQMPNLHA-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]C1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000647793224 398188765 /nfs/dbraw/zinc/18/87/65/398188765.db2.gz PUSNXLGFPYHZMA-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000446391553 398204482 /nfs/dbraw/zinc/20/44/82/398204482.db2.gz AGLLMHYGVAPDAD-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO Cn1nccc1CN1CCC[C@H](CC[NH3+])C1 ZINC000069723859 398213556 /nfs/dbraw/zinc/21/35/56/398213556.db2.gz DXXCKCUVRAENMP-LLVKDONJSA-N 1 3 222.336 0.981 20 0 BCADHO C[NH2+]CCCN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000649412587 398214942 /nfs/dbraw/zinc/21/49/42/398214942.db2.gz ULFQOPHZTYOVDO-STQMWFEESA-N 1 3 241.379 0.127 20 0 BCADHO CCN1CCC[C@H](NC(=O)NCCCC[NH3+])C1 ZINC000417217129 398211232 /nfs/dbraw/zinc/21/12/32/398211232.db2.gz QLEYKSALFQTZSH-NSHDSACASA-N 1 3 242.367 0.509 20 0 BCADHO COCCC[N@H+](CCO)CC[C@@H]1CCCN1C ZINC000189876224 398226773 /nfs/dbraw/zinc/22/67/73/398226773.db2.gz UQVKZIZZYUBWCS-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO COCCC[N@@H+](CCO)CC[C@@H]1CCCN1C ZINC000189876224 398226777 /nfs/dbraw/zinc/22/67/77/398226777.db2.gz UQVKZIZZYUBWCS-ZDUSSCGKSA-N 1 3 244.379 0.802 20 0 BCADHO N[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000418389020 192031808 /nfs/dbraw/zinc/03/18/08/192031808.db2.gz SXDPJBUYOAXKGE-RYUDHWBXSA-N 1 3 248.330 0.348 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCN1CCCC1=O ZINC000430576307 398228869 /nfs/dbraw/zinc/22/88/69/398228869.db2.gz BECCYOZGEFQVRC-LBPRGKRZSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@](C[NH3+])(NCCn1cccn1)C1CC1 ZINC000430569148 398228994 /nfs/dbraw/zinc/22/89/94/398228994.db2.gz DRABRNMMLHZPPN-NSHDSACASA-N 1 3 208.309 0.600 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418405245 192033583 /nfs/dbraw/zinc/03/35/83/192033583.db2.gz KWENVCSMPPGBJN-GMTAPVOTSA-N 1 3 242.367 0.362 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000167516236 488174320 /nfs/dbraw/zinc/17/43/20/488174320.db2.gz XPYQBTPMGIMFMN-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000167516236 488174327 /nfs/dbraw/zinc/17/43/27/488174327.db2.gz XPYQBTPMGIMFMN-WOPDTQHZSA-N 1 3 239.363 0.666 20 0 BCADHO CN(CC(=O)NC[C@H]1CC[N@H+](C)C1)C1CCC1 ZINC000629951713 361799783 /nfs/dbraw/zinc/79/97/83/361799783.db2.gz ZUHUXTXOUKLQCT-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CN(CC(=O)NC[C@H]1CC[N@@H+](C)C1)C1CCC1 ZINC000629951713 361799786 /nfs/dbraw/zinc/79/97/86/361799786.db2.gz ZUHUXTXOUKLQCT-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC[NH+](CC)CCNC(=O)CN(C)C1CCC1 ZINC000629945806 361786996 /nfs/dbraw/zinc/78/69/96/361786996.db2.gz NKDRXCJSHLFVGT-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000381266394 398242200 /nfs/dbraw/zinc/24/22/00/398242200.db2.gz UGACKZJWHLSCOT-LPEHRKFASA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576517964 365616078 /nfs/dbraw/zinc/61/60/78/365616078.db2.gz WNLXVBWULPQHRT-OUAUKWLOSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000576581354 365630481 /nfs/dbraw/zinc/63/04/81/365630481.db2.gz FFLKASRVZNITGV-YFKTTZPYSA-N 1 3 239.363 0.583 20 0 BCADHO CN(C)CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418432356 192037749 /nfs/dbraw/zinc/03/77/49/192037749.db2.gz UFNJHTUDHDCPRH-WDEREUQCSA-N 1 3 242.367 0.365 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)NC1CC1 ZINC000576701634 365662580 /nfs/dbraw/zinc/66/25/80/365662580.db2.gz LDNWKMHRUQEXEM-RKDXNWHRSA-N 1 3 213.325 0.371 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC1 ZINC000576754673 365676960 /nfs/dbraw/zinc/67/69/60/365676960.db2.gz XINOWZMMSROOLS-RKDXNWHRSA-N 1 3 211.309 0.111 20 0 BCADHO CN(C)C(=O)C(C)(C)[NH2+]CC[C@H]1CCCN1C ZINC000128478964 323007244 /nfs/dbraw/zinc/00/72/44/323007244.db2.gz YDRSMCYTSBJVNH-LLVKDONJSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000230191405 259312496 /nfs/dbraw/zinc/31/24/96/259312496.db2.gz IIQVLAGHDAFYGW-DCAQKATOSA-N 1 3 225.336 0.195 20 0 BCADHO CC[NH2+]CCNC(=O)[C@H]1C[C@@H](C)CCN1 ZINC000417781420 398267739 /nfs/dbraw/zinc/26/77/39/398267739.db2.gz JSNBVSLUSBBJIE-VHSXEESVSA-N 1 3 213.325 0.100 20 0 BCADHO C[C@H]([NH3+])CC(=O)Nc1cccc(CN)c1 ZINC000381790644 398272106 /nfs/dbraw/zinc/27/21/06/398272106.db2.gz ZUNZYUDPPXUAOM-QMMMGPOBSA-N 1 3 207.277 0.821 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@H]1NCC1(C)C ZINC000381801328 398273725 /nfs/dbraw/zinc/27/37/25/398273725.db2.gz DILAYAPBBDZDEP-SECBINFHSA-N 1 3 213.325 0.100 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1NCC1(C)C ZINC000381801337 398274050 /nfs/dbraw/zinc/27/40/50/398274050.db2.gz DILAYAPBBDZDEP-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CN1CCC(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000335124804 398279977 /nfs/dbraw/zinc/27/99/77/398279977.db2.gz RDYPJUKSLDYFMQ-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N(C)CCN(C)C1CC1 ZINC000418513551 192045632 /nfs/dbraw/zinc/04/56/32/192045632.db2.gz AOTYACGLXHOAJZ-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N1CCN2CCC1CC2 ZINC000335464290 398288740 /nfs/dbraw/zinc/28/87/40/398288740.db2.gz ORMPMWGYDIBISR-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@@]1(CN2CCNC[C@](C)(F)C2)CC[NH2+]C1 ZINC000335479504 398291330 /nfs/dbraw/zinc/29/13/30/398291330.db2.gz KPGURGMQCGFUAA-NEPJUHHUSA-N 1 3 229.343 0.619 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000418521183 192047062 /nfs/dbraw/zinc/04/70/62/192047062.db2.gz IBZPLCACABIERM-KXUCPTDWSA-N 1 3 228.340 0.116 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000417822534 398294429 /nfs/dbraw/zinc/29/44/29/398294429.db2.gz ITBUWXZUESZHGX-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417822071 398294646 /nfs/dbraw/zinc/29/46/46/398294646.db2.gz JAHJURALENNSES-YFKTTZPYSA-N 1 3 237.347 0.052 20 0 BCADHO CN(C)CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525698 192048039 /nfs/dbraw/zinc/04/80/39/192048039.db2.gz YFFLLGOXCRBPOO-UHFFFAOYSA-N 1 3 242.367 0.237 20 0 BCADHO CCCN(C)CC(=O)N(C)CCC[NH3+] ZINC000037097903 398301059 /nfs/dbraw/zinc/30/10/59/398301059.db2.gz OEIACJYAFNQMBI-UHFFFAOYSA-N 1 3 201.314 0.135 20 0 BCADHO CC[C@H](N)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000309747744 342847886 /nfs/dbraw/zinc/84/78/86/342847886.db2.gz GBFRWWVPSGYLKZ-ONGXEEELSA-N 1 3 213.325 0.230 20 0 BCADHO CCO[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000625096999 342852057 /nfs/dbraw/zinc/85/20/57/342852057.db2.gz IBHZEOMKLHLXTG-XQQFMLRXSA-N 1 3 224.348 0.953 20 0 BCADHO CC1CCN(CC(=O)N(C)CCC[NH3+])CC1 ZINC000037049725 398299916 /nfs/dbraw/zinc/29/99/16/398299916.db2.gz QNHQZDXUZBWYLS-UHFFFAOYSA-N 1 3 227.352 0.526 20 0 BCADHO CC[N@H+](CCNC(=O)[C@@H](N)CC(C)C)C1CC1 ZINC000167204546 136244581 /nfs/dbraw/zinc/24/45/81/136244581.db2.gz XXOIOPJVAMFQLY-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@@H](N)CC(C)C)C1CC1 ZINC000167204546 136244582 /nfs/dbraw/zinc/24/45/82/136244582.db2.gz XXOIOPJVAMFQLY-LBPRGKRZSA-N 1 3 241.379 0.960 20 0 BCADHO CC[NH+]1CCC(N(C)C(=O)[C@H](C)N)CC1 ZINC000036135360 342892960 /nfs/dbraw/zinc/89/29/60/342892960.db2.gz BTMHZRRFMOXLFZ-VIFPVBQESA-N 1 3 213.325 0.276 20 0 BCADHO C[C@]1(CNC(=O)C2(N)CCCC2)CCC[NH2+]C1 ZINC000336597454 398323013 /nfs/dbraw/zinc/32/30/13/398323013.db2.gz WVJCMWVYBXTLNN-LBPRGKRZSA-N 1 3 239.363 0.764 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999079 342914982 /nfs/dbraw/zinc/91/49/82/342914982.db2.gz PIRKIVSQAIRCTO-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)CC[NH3+] ZINC000036999070 342915107 /nfs/dbraw/zinc/91/51/07/342915107.db2.gz UXKAGXPVEUUCPG-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)CC[NH3+] ZINC000037001273 342915366 /nfs/dbraw/zinc/91/53/66/342915366.db2.gz GRFWDJNKVVQXCQ-JTQLQIEISA-N 1 3 215.341 0.428 20 0 BCADHO CN(C)CCOCC[NH2+]CC1(O)CCCC1 ZINC000234245480 342919193 /nfs/dbraw/zinc/91/91/93/342919193.db2.gz GRGFEBRBEDMAEF-UHFFFAOYSA-N 1 3 230.352 0.459 20 0 BCADHO [NH3+]CCCCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106672 398327089 /nfs/dbraw/zinc/32/70/89/398327089.db2.gz LIYOZKOIHPHGBY-UHFFFAOYSA-N 1 3 248.330 0.795 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000418602667 192054783 /nfs/dbraw/zinc/05/47/83/192054783.db2.gz NNPPBFGJQYYYHT-VWYCJHECSA-N 1 3 242.367 0.376 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1CCN[C@H](C)[C@H]1C ZINC000418602664 192054579 /nfs/dbraw/zinc/05/45/79/192054579.db2.gz NNPPBFGJQYYYHT-GMTAPVOTSA-N 1 3 242.367 0.376 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000418602709 192054819 /nfs/dbraw/zinc/05/48/19/192054819.db2.gz NUXPSJBYMLRSAL-MXWKQRLJSA-N 1 3 242.367 0.376 20 0 BCADHO CSC[C@@H](O)C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000580314451 346896870 /nfs/dbraw/zinc/89/68/70/346896870.db2.gz SQMSBNYJMSNCSP-PWSUYJOCSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@@H](O)CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000580314451 346896873 /nfs/dbraw/zinc/89/68/73/346896873.db2.gz SQMSBNYJMSNCSP-PWSUYJOCSA-N 1 3 244.404 0.784 20 0 BCADHO CSC[C@@H](O)CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000580314451 346896877 /nfs/dbraw/zinc/89/68/77/346896877.db2.gz SQMSBNYJMSNCSP-PWSUYJOCSA-N 1 3 244.404 0.784 20 0 BCADHO CC1(C(=O)N2C[C@H](N)Cc3ccccc32)C[NH2+]C1 ZINC000580314423 346896959 /nfs/dbraw/zinc/89/69/59/346896959.db2.gz RPODLWLNZZWBHM-LLVKDONJSA-N 1 3 245.326 0.513 20 0 BCADHO CC[C@@H](N)C(=O)NCC1([NH3+])CCCCC1 ZINC000309457714 259343341 /nfs/dbraw/zinc/34/33/41/259343341.db2.gz OACBTIMSKKBXRQ-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO C[C@@H](O)[C@@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000576823099 365694989 /nfs/dbraw/zinc/69/49/89/365694989.db2.gz NNVYWJDSEFXOBT-PWSUYJOCSA-N 1 3 228.336 0.068 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H](N)C(C)C ZINC000309773323 259343977 /nfs/dbraw/zinc/34/39/77/259343977.db2.gz LBTPUQWVCRZNHC-SNVBAGLBSA-N 1 3 215.341 0.474 20 0 BCADHO CC[C@H](C(N)=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000082475129 362024683 /nfs/dbraw/zinc/02/46/83/362024683.db2.gz ITMADUDRDDMTJN-WCBMZHEXSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237050302 343121828 /nfs/dbraw/zinc/12/18/28/343121828.db2.gz HMZYIDYEKRSSII-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237050302 343121830 /nfs/dbraw/zinc/12/18/30/343121830.db2.gz HMZYIDYEKRSSII-GRYCIOLGSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CNC1CC1 ZINC000237066983 343122303 /nfs/dbraw/zinc/12/23/03/343122303.db2.gz SQBREOLLYZFMQR-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)CNC1CC1 ZINC000237066983 343122304 /nfs/dbraw/zinc/12/23/04/343122304.db2.gz SQBREOLLYZFMQR-GFCCVEGCSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000092956366 343150261 /nfs/dbraw/zinc/15/02/61/343150261.db2.gz YKLFXWJVHLNYSK-HOSYDEDBSA-N 1 3 237.347 0.337 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000370778924 343125717 /nfs/dbraw/zinc/12/57/17/343125717.db2.gz IMKVQKUGBBHIJA-CMPLNLGQSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@@H](C(=O)NCCC[NH3+])[C@@H](N)c1ccccc1 ZINC000131714765 343184172 /nfs/dbraw/zinc/18/41/72/343184172.db2.gz NRGAZYGDKLXEOP-ZYHUDNBSSA-N 1 3 235.331 0.788 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CNC2CC2)CC[N@@H+]1C ZINC000157886176 343200269 /nfs/dbraw/zinc/20/02/69/343200269.db2.gz JVQOTCXKYGWXKD-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)CNC2CC2)CC[N@H+]1C ZINC000157886176 343200273 /nfs/dbraw/zinc/20/02/73/343200273.db2.gz JVQOTCXKYGWXKD-ONGXEEELSA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)C[NH3+])N1CCCC1 ZINC000160930845 343204054 /nfs/dbraw/zinc/20/40/54/343204054.db2.gz IRAFQTJCWCQGNA-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO COC[C@@H](C)C[N@@H+]1CCC[C@H](CN)C1 ZINC000163536418 343206908 /nfs/dbraw/zinc/20/69/08/343206908.db2.gz AMIQBOVPCKCZJV-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@@H](C)C[N@H+]1CCC[C@H](CN)C1 ZINC000163536418 343206909 /nfs/dbraw/zinc/20/69/09/343206909.db2.gz AMIQBOVPCKCZJV-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO COC[C@@H](C)CN1CCC[C@H](C[NH3+])C1 ZINC000163536418 343206910 /nfs/dbraw/zinc/20/69/10/343206910.db2.gz AMIQBOVPCKCZJV-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCCNCC1 ZINC000134481449 343194500 /nfs/dbraw/zinc/19/45/00/343194500.db2.gz BEBZAGNVXXEBGP-NSHDSACASA-N 1 3 225.336 0.198 20 0 BCADHO C[NH2+]CCCN(C)C(=O)C1(N)CCCCC1 ZINC000087471824 136281607 /nfs/dbraw/zinc/28/16/07/136281607.db2.gz IBQRPAYMOZSBQM-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[NH2+]CCOCCN(C)C[C@@H]1CC[C@H](C)O1 ZINC000634688588 343249082 /nfs/dbraw/zinc/24/90/82/343249082.db2.gz XAZAZEZELMXZQU-RYUDHWBXSA-N 1 3 230.352 0.722 20 0 BCADHO Cn1nccc1CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000634688548 343249127 /nfs/dbraw/zinc/24/91/27/343249127.db2.gz VYQKDXQNVZACOV-VXGBXAGGSA-N 1 3 222.336 0.822 20 0 BCADHO [NH3+]C1(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000398101440 488210290 /nfs/dbraw/zinc/21/02/90/488210290.db2.gz SXAJXUUTDIHFMG-UHFFFAOYSA-N 1 3 237.347 0.611 20 0 BCADHO C[C@@H]1CSCCN1CCN1CC[NH2+]CC1 ZINC000069760982 343290858 /nfs/dbraw/zinc/29/08/58/343290858.db2.gz MHXKJBKFXYHUIE-LLVKDONJSA-N 1 3 229.393 0.329 20 0 BCADHO C[C@H]1CSCCN1CCN1CC[NH2+]CC1 ZINC000069760983 343291048 /nfs/dbraw/zinc/29/10/48/343291048.db2.gz MHXKJBKFXYHUIE-NSHDSACASA-N 1 3 229.393 0.329 20 0 BCADHO [NH3+]CCCN1CCN(CC2CCOCC2)CC1 ZINC000052171474 343321067 /nfs/dbraw/zinc/32/10/67/343321067.db2.gz WVADSQCFMWAAAR-UHFFFAOYSA-N 1 3 241.379 0.379 20 0 BCADHO Cc1nccn1CCC[N@@H+]1CCN[C@@H](C)C1 ZINC000348757893 136297488 /nfs/dbraw/zinc/29/74/88/136297488.db2.gz YZEYPCZWEIAYPV-NSHDSACASA-N 1 3 222.336 0.875 20 0 BCADHO Cc1nccn1CCC[N@H+]1CCN[C@@H](C)C1 ZINC000348757893 136297489 /nfs/dbraw/zinc/29/74/89/136297489.db2.gz YZEYPCZWEIAYPV-NSHDSACASA-N 1 3 222.336 0.875 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)CC1([NH3+])CC1 ZINC000398132405 488212157 /nfs/dbraw/zinc/21/21/57/488212157.db2.gz WHICRPMMTAGSTH-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO CO[C@H](C)[C@H](C)[NH2+]CCOCCN(C)C ZINC000219314867 536874891 /nfs/dbraw/zinc/87/48/91/536874891.db2.gz CIOXDEZEOFIFMJ-WDEREUQCSA-N 1 3 218.341 0.578 20 0 BCADHO C[C@@]1(C(=O)N[C@@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000335654718 136305920 /nfs/dbraw/zinc/30/59/20/136305920.db2.gz ZVFFVOWUKWSUCH-PSASIEDQSA-N 1 3 247.289 0.099 20 0 BCADHO C[C@H]1CCN(C(=O)C2(N)CCC2)C[C@H]1C[NH3+] ZINC000335658573 136307187 /nfs/dbraw/zinc/30/71/87/136307187.db2.gz VUIKMOCTCYSGJS-VHSXEESVSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@H]1CCN(C(=O)C2(N)CCC2)C[C@@H]1C[NH3+] ZINC000335658572 136307375 /nfs/dbraw/zinc/30/73/75/136307375.db2.gz VUIKMOCTCYSGJS-UWVGGRQHSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@H](CNC(=O)CC1([NH3+])CC1)N(C)C1CC1 ZINC000398164723 488213581 /nfs/dbraw/zinc/21/35/81/488213581.db2.gz LYGZOWLPTLUIDD-SECBINFHSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000335661427 136315308 /nfs/dbraw/zinc/31/53/08/136315308.db2.gz DELMKURPCDPDAO-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCCC1 ZINC000335662185 136315519 /nfs/dbraw/zinc/31/55/19/136315519.db2.gz FZNDKWAYXHSINC-WDEREUQCSA-N 1 3 239.363 0.892 20 0 BCADHO CC[C@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000166233327 136316064 /nfs/dbraw/zinc/31/60/64/136316064.db2.gz FEYQDMAXCBOPPC-LBPRGKRZSA-N 1 3 211.353 0.624 20 0 BCADHO CC[C@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000166233327 136316065 /nfs/dbraw/zinc/31/60/65/136316065.db2.gz FEYQDMAXCBOPPC-LBPRGKRZSA-N 1 3 211.353 0.624 20 0 BCADHO C[C@H](NC(=O)C1(N)CCCC1)[C@H]1CCC[NH2+]C1 ZINC000335694158 136326115 /nfs/dbraw/zinc/32/61/15/136326115.db2.gz PZXAKYSWCKPVPF-QWRGUYRKSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]([NH3+])C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000040809139 343409589 /nfs/dbraw/zinc/40/95/89/343409589.db2.gz OMRQEMQQXCMUSB-ZYHUDNBSSA-N 1 3 235.331 0.753 20 0 BCADHO CC[NH2+]Cc1cccc(NC(=O)CNC)c1 ZINC000123384092 343424951 /nfs/dbraw/zinc/42/49/51/343424951.db2.gz OBXWGXUJTGPXQL-UHFFFAOYSA-N 1 3 221.304 0.954 20 0 BCADHO NC1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCCC1 ZINC000335701469 136334152 /nfs/dbraw/zinc/33/41/52/136334152.db2.gz MLODXYOHWFMSTN-GHMZBOCLSA-N 1 3 237.347 0.468 20 0 BCADHO O=C(N1CCCNCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335850334 136355435 /nfs/dbraw/zinc/35/54/35/136355435.db2.gz BQHLCLDMHKLFDM-DGCLKSJQSA-N 1 3 237.347 0.198 20 0 BCADHO CC[C@@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000580547666 365744090 /nfs/dbraw/zinc/74/40/90/365744090.db2.gz OKVSDHZOVAETIZ-GFCCVEGCSA-N 1 3 239.363 0.714 20 0 BCADHO N[C@H](C(=O)NC1CCC([NH3+])CC1)C1CCC1 ZINC000335654606 136376371 /nfs/dbraw/zinc/37/63/71/136376371.db2.gz WGOPSPGQWSDUCX-ILDUYXDCSA-N 1 3 225.336 0.500 20 0 BCADHO C[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000082993305 343470482 /nfs/dbraw/zinc/47/04/82/343470482.db2.gz QWGNDQYJUCAQCU-WAAKLRNESA-N 1 3 212.337 0.972 20 0 BCADHO C[C@@H](O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000082993305 343470483 /nfs/dbraw/zinc/47/04/83/343470483.db2.gz QWGNDQYJUCAQCU-WAAKLRNESA-N 1 3 212.337 0.972 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)CC(C)C)CC1 ZINC000152318903 343533240 /nfs/dbraw/zinc/53/32/40/343533240.db2.gz UFOFCVGKSZNCRA-LBPRGKRZSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000577047252 365789373 /nfs/dbraw/zinc/78/93/73/365789373.db2.gz MZCVDMQWJTUQIA-HBNTYKKESA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000380226043 343695274 /nfs/dbraw/zinc/69/52/74/343695274.db2.gz KHOLBUFKBKWUMA-DTWKUNHWSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)CN1CC[C@@H](C)C1 ZINC000557633994 343715063 /nfs/dbraw/zinc/71/50/63/343715063.db2.gz QTKQBYXIDGRDLY-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CNC2CC2)C1 ZINC000154664540 343744236 /nfs/dbraw/zinc/74/42/36/343744236.db2.gz IGFIVHYUHJRTMK-NEPJUHHUSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CCN2CC[C@H](O)C2)CCN1C ZINC000624335553 343717937 /nfs/dbraw/zinc/71/79/37/343717937.db2.gz VDJHLJIOBJBOQB-AGIUHOORSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CC[C@H](O)C2)CC[N@@H+]1C ZINC000624335553 343717938 /nfs/dbraw/zinc/71/79/38/343717938.db2.gz VDJHLJIOBJBOQB-AGIUHOORSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@@H]1C[C@@H](NCCN2CC[C@H](O)C2)CC[N@H+]1C ZINC000624335553 343717939 /nfs/dbraw/zinc/71/79/39/343717939.db2.gz VDJHLJIOBJBOQB-AGIUHOORSA-N 1 3 241.379 0.125 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)CNC1CC1 ZINC000154647232 343730506 /nfs/dbraw/zinc/73/05/06/343730506.db2.gz PFSYGRSLUYRXRX-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)CNC1CC1 ZINC000154647232 343730508 /nfs/dbraw/zinc/73/05/08/343730508.db2.gz PFSYGRSLUYRXRX-JTQLQIEISA-N 1 3 227.352 0.585 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(N)CCC1 ZINC000584231078 343776132 /nfs/dbraw/zinc/77/61/32/343776132.db2.gz WQTXTEVWBOZFLF-RKDXNWHRSA-N 1 3 211.309 0.064 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000418738169 192065177 /nfs/dbraw/zinc/06/51/77/192065177.db2.gz WUSAVLIAKPMMAO-BBBLOLIVSA-N 1 3 228.340 0.116 20 0 BCADHO CN(C)CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418728984 192065514 /nfs/dbraw/zinc/06/55/14/192065514.db2.gz RJCLDUNUHTUXIP-MNOVXSKESA-N 1 3 242.367 0.365 20 0 BCADHO CC[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000577178667 343907064 /nfs/dbraw/zinc/90/70/64/343907064.db2.gz LYXCZQOKCDDFIN-WOPDTQHZSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000335895063 344045312 /nfs/dbraw/zinc/04/53/12/344045312.db2.gz CQKMHIDJVPBJIH-MNOVXSKESA-N 1 3 239.363 0.905 20 0 BCADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000335558310 192068170 /nfs/dbraw/zinc/06/81/70/192068170.db2.gz AVFLDLVFBZWUHW-LBPRGKRZSA-N 1 3 239.363 0.680 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130203717 344121928 /nfs/dbraw/zinc/12/19/28/344121928.db2.gz CHNAFPBWGWIAHM-QWRGUYRKSA-N 1 3 227.352 0.476 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000130580393 344149666 /nfs/dbraw/zinc/14/96/66/344149666.db2.gz CSDXONQYWIVISF-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000130580393 344149667 /nfs/dbraw/zinc/14/96/67/344149667.db2.gz CSDXONQYWIVISF-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000129084879 344209721 /nfs/dbraw/zinc/20/97/21/344209721.db2.gz YQELTNROUAZZPB-KXUCPTDWSA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000129085511 344209805 /nfs/dbraw/zinc/20/98/05/344209805.db2.gz YQELTNROUAZZPB-IVZWLZJFSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H]1C[C@H](NCCOCCO)CC[N@@H+]1C ZINC000129749251 344214436 /nfs/dbraw/zinc/21/44/36/344214436.db2.gz SXKWBEVMVLZQQE-WDEREUQCSA-N 1 3 216.325 0.068 20 0 BCADHO C[C@H]1C[C@H](NCCOCCO)CC[N@H+]1C ZINC000129749251 344214437 /nfs/dbraw/zinc/21/44/37/344214437.db2.gz SXKWBEVMVLZQQE-WDEREUQCSA-N 1 3 216.325 0.068 20 0 BCADHO CC[C@H](COC)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000381215499 344206696 /nfs/dbraw/zinc/20/66/96/344206696.db2.gz FTKLRXANHPHARI-PWSUYJOCSA-N 1 3 230.352 0.456 20 0 BCADHO CC[C@H](COC)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000381215499 344206698 /nfs/dbraw/zinc/20/66/98/344206698.db2.gz FTKLRXANHPHARI-PWSUYJOCSA-N 1 3 230.352 0.456 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C2(N)CCC2)C1 ZINC000634761574 344253598 /nfs/dbraw/zinc/25/35/98/344253598.db2.gz DYBKWWPJUZTMTK-JTQLQIEISA-N 1 3 239.363 0.762 20 0 BCADHO CC[C@H](C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2)N(C)C ZINC000634769842 344283989 /nfs/dbraw/zinc/28/39/89/344283989.db2.gz QBEGAZDLHGFAGM-WZRBSPASSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000131671228 344321971 /nfs/dbraw/zinc/32/19/71/344321971.db2.gz NIKCJPQFAQLWLJ-NWDGAFQWSA-N 1 3 233.315 0.035 20 0 BCADHO CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000131851345 344353259 /nfs/dbraw/zinc/35/32/59/344353259.db2.gz CVMQUVZGLISJAB-BBBLOLIVSA-N 1 3 245.392 0.276 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](N)CCSC ZINC000131873976 344356893 /nfs/dbraw/zinc/35/68/93/344356893.db2.gz NCXSMIAZDKMVBR-RKDXNWHRSA-N 1 3 233.381 0.039 20 0 BCADHO C[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000132505942 344302829 /nfs/dbraw/zinc/30/28/29/344302829.db2.gz ILSJFEYHCLVQJJ-GMTAPVOTSA-N 1 3 200.326 0.864 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2CCCOC2)CC1 ZINC000336759938 537845589 /nfs/dbraw/zinc/84/55/89/537845589.db2.gz JJUCTXQABKYYMO-LLVKDONJSA-N 1 3 228.336 0.212 20 0 BCADHO CC[NH+](CC)CCCNC(=O)C(C)(C)N ZINC000040920232 344410883 /nfs/dbraw/zinc/41/08/83/344410883.db2.gz BQIIOHRFIOGICQ-UHFFFAOYSA-N 1 3 215.341 0.572 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)N ZINC000041680094 344439628 /nfs/dbraw/zinc/43/96/28/344439628.db2.gz ULNXCUDPGFQXMN-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO COC(=O)CCN1CCC(C[NH+](C)C)CC1 ZINC000042394663 344452417 /nfs/dbraw/zinc/45/24/17/344452417.db2.gz SNCOUCCNZRKKNQ-UHFFFAOYSA-N 1 3 228.336 0.823 20 0 BCADHO CSC[C@H](C)NC[C@H](O)C[NH+]1CCCC1 ZINC000127447033 344477163 /nfs/dbraw/zinc/47/71/63/344477163.db2.gz MUWNALJMKOMTBH-QWRGUYRKSA-N 1 3 232.393 0.784 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000036999032 344485230 /nfs/dbraw/zinc/48/52/30/344485230.db2.gz QQWSFKHPAOXHMA-NEPJUHHUSA-N 1 3 239.363 0.729 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000037477586 344508709 /nfs/dbraw/zinc/50/87/09/344508709.db2.gz NNJDFEGUYJDFCK-NSHDSACASA-N 1 3 227.352 0.587 20 0 BCADHO CN1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000037267781 344497006 /nfs/dbraw/zinc/49/70/06/344497006.db2.gz AMCYLKGJGZAVCL-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO C[N@H+](C[C@@H](O)CNCCc1ccncc1)C1CC1 ZINC000381405000 344501794 /nfs/dbraw/zinc/50/17/94/344501794.db2.gz XHYFJVWCTCRVJC-AWEZNQCLSA-N 1 3 249.358 0.669 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCCc1ccncc1)C1CC1 ZINC000381405000 344501795 /nfs/dbraw/zinc/50/17/95/344501795.db2.gz XHYFJVWCTCRVJC-AWEZNQCLSA-N 1 3 249.358 0.669 20 0 BCADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(C)C1 ZINC000672754380 488265637 /nfs/dbraw/zinc/26/56/37/488265637.db2.gz NTLQBRRBFBQECZ-QWRGUYRKSA-N 1 3 242.367 0.330 20 0 BCADHO CN(C(=O)C[NH2+]CC1CC1)C1CCN(C)CC1 ZINC000037611954 344552795 /nfs/dbraw/zinc/55/27/95/344552795.db2.gz OBYYGQIIMLIAND-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000037643493 344555421 /nfs/dbraw/zinc/55/54/21/344555421.db2.gz WLVYKVOWVDVWSN-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000037643493 344555425 /nfs/dbraw/zinc/55/54/25/344555425.db2.gz WLVYKVOWVDVWSN-YPMHNXCESA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643491 344555586 /nfs/dbraw/zinc/55/55/86/344555586.db2.gz WLVYKVOWVDVWSN-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643491 344555587 /nfs/dbraw/zinc/55/55/87/344555587.db2.gz WLVYKVOWVDVWSN-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000309834005 259377950 /nfs/dbraw/zinc/37/79/50/259377950.db2.gz ZLNREVROHMXUPI-SGIHWFKDSA-N 1 3 213.325 0.226 20 0 BCADHO CC1(C)C[NH2+]CC[C@@H]1NCCn1cncn1 ZINC000381732974 344586698 /nfs/dbraw/zinc/58/66/98/344586698.db2.gz XJBPPXHCFNDXRX-JTQLQIEISA-N 1 3 223.324 0.256 20 0 BCADHO CC1(C)CNCC[C@@H]1[NH2+]CCn1cncn1 ZINC000381732974 344586700 /nfs/dbraw/zinc/58/67/00/344586700.db2.gz XJBPPXHCFNDXRX-JTQLQIEISA-N 1 3 223.324 0.256 20 0 BCADHO CC[NH2+]CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000309784539 259377564 /nfs/dbraw/zinc/37/75/64/259377564.db2.gz NQXXUNHFMVKDMG-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)CCN1C ZINC000577867798 344639712 /nfs/dbraw/zinc/63/97/12/344639712.db2.gz ADMLFSCBNCVFTH-DCAQKATOSA-N 1 3 240.351 0.130 20 0 BCADHO CCN(CC)CC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152625045 344648903 /nfs/dbraw/zinc/64/89/03/344648903.db2.gz JCVIAWWPSCYFPV-LBPRGKRZSA-N 1 3 241.379 0.834 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578191568 344723667 /nfs/dbraw/zinc/72/36/67/344723667.db2.gz YCIPPMJNKXGECU-GMTAPVOTSA-N 1 3 227.352 0.474 20 0 BCADHO CCSCCN(C)CCN1CC[NH2+]CC1 ZINC000158572592 344682845 /nfs/dbraw/zinc/68/28/45/344682845.db2.gz XVYVZSYXPHVJAE-UHFFFAOYSA-N 1 3 231.409 0.577 20 0 BCADHO C[NH+]1CCC(O)(CNCc2ccco2)CC1 ZINC000077450051 344824223 /nfs/dbraw/zinc/82/42/23/344824223.db2.gz POJKPVCUXNRYNX-UHFFFAOYSA-N 1 3 224.304 0.826 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC(=O)N2)CC[N@@H+]1C ZINC000433088902 537871140 /nfs/dbraw/zinc/87/11/40/537871140.db2.gz DSCHOTQXZYPWIS-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC(=O)N2)CC[N@H+]1C ZINC000433088902 537871150 /nfs/dbraw/zinc/87/11/50/537871150.db2.gz DSCHOTQXZYPWIS-WOPDTQHZSA-N 1 3 239.363 0.727 20 0 BCADHO CC[NH2+]CCCNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000518775790 323081511 /nfs/dbraw/zinc/08/15/11/323081511.db2.gz VRPIJSJJAWHRKQ-VXGBXAGGSA-N 1 3 241.379 0.975 20 0 BCADHO CC1(C)C[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000044368840 345038153 /nfs/dbraw/zinc/03/81/53/345038153.db2.gz QMWXJLUYIVYGPI-QWRGUYRKSA-N 1 3 212.337 0.831 20 0 BCADHO CN[C@@H](C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000579614064 345096683 /nfs/dbraw/zinc/09/66/83/345096683.db2.gz NXDZQFVVQFKWCS-NSHDSACASA-N 1 3 241.379 0.831 20 0 BCADHO C(C1CC1)N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992036 345179687 /nfs/dbraw/zinc/17/96/87/345179687.db2.gz ALCYYYZFSPQRCG-UHFFFAOYSA-N 1 3 235.375 0.766 20 0 BCADHO C[C@@H]1[C@H](C)N(C)CCN1CC12CC(C1)C[NH2+]2 ZINC000634994674 345182764 /nfs/dbraw/zinc/18/27/64/345182764.db2.gz KDKNRBPSYMVLAW-ZFDZMSFRSA-N 1 3 223.364 0.763 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635068525 345237302 /nfs/dbraw/zinc/23/73/02/345237302.db2.gz JSWJBPLMNXSAHP-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635068525 345237305 /nfs/dbraw/zinc/23/73/05/345237305.db2.gz JSWJBPLMNXSAHP-JTQLQIEISA-N 1 3 213.325 0.006 20 0 BCADHO C[C@@H]1CN(CC23CC(C2)C[NH2+]3)[C@H](C)CN1C ZINC000634994214 345192768 /nfs/dbraw/zinc/19/27/68/345192768.db2.gz VWOFQFXFBXWPOL-OKZRHMCRSA-N 1 3 223.364 0.763 20 0 BCADHO CC(C)[C@@H](C[NH3+])CN1CC[C@@H](F)[C@H](N)C1 ZINC000634997551 345196276 /nfs/dbraw/zinc/19/62/76/345196276.db2.gz NSIOOEQDSOZVNU-HBNTYKKESA-N 1 3 217.332 0.588 20 0 BCADHO CCC[C@H](CCO)[NH2+][C@H](C)C1CNC1 ZINC000635005309 345209186 /nfs/dbraw/zinc/20/91/86/345209186.db2.gz UFSORBLVWFQXEW-MWLCHTKSSA-N 1 3 200.326 0.735 20 0 BCADHO CCC[C@H](CCO)N[C@H](C)C1C[NH2+]C1 ZINC000635005309 345209188 /nfs/dbraw/zinc/20/91/88/345209188.db2.gz UFSORBLVWFQXEW-MWLCHTKSSA-N 1 3 200.326 0.735 20 0 BCADHO O=C([C@H]1CCC[NH2+]1)N1CCN2CCC[C@H]2C1 ZINC000158540355 345347152 /nfs/dbraw/zinc/34/71/52/345347152.db2.gz ZOSYSAXPUPXVDY-WDEREUQCSA-N 1 3 223.320 0.045 20 0 BCADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC000635422601 345358588 /nfs/dbraw/zinc/35/85/88/345358588.db2.gz YCTUTSSVJGFZDI-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)[C@H](C(=O)NCC[NH3+])N1CCCCC1 ZINC000158690740 345364093 /nfs/dbraw/zinc/36/40/93/345364093.db2.gz WSNCIXZNQXKFEW-LLVKDONJSA-N 1 3 227.352 0.572 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000159106981 345409961 /nfs/dbraw/zinc/40/99/61/345409961.db2.gz QUNPQWYMFJZIOM-PWSUYJOCSA-N 1 3 243.326 0.146 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000494573459 323088665 /nfs/dbraw/zinc/08/86/65/323088665.db2.gz FZKVEFNSERDCMN-GMTAPVOTSA-N 1 3 227.352 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000381339073 345396049 /nfs/dbraw/zinc/39/60/49/345396049.db2.gz WXGYTVHGTISKSD-BBBLOLIVSA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)N(C)CC(=O)NC1CC[NH2+]CC1 ZINC000261530259 534998601 /nfs/dbraw/zinc/99/86/01/534998601.db2.gz CCLFHBPIRWCKJD-UHFFFAOYSA-N 1 3 213.325 0.195 20 0 BCADHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000262595738 534997512 /nfs/dbraw/zinc/99/75/12/534997512.db2.gz UXTCTTJQLACCDZ-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO CN(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC000206533588 345734480 /nfs/dbraw/zinc/73/44/80/345734480.db2.gz VKKIRCYXUXGHKV-UHFFFAOYSA-N 1 3 227.352 0.348 20 0 BCADHO NC1(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000381396814 345799947 /nfs/dbraw/zinc/79/99/47/345799947.db2.gz OZKAJGJLHIRJQA-UHFFFAOYSA-N 1 3 205.261 0.575 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NC(=O)CNC1CC1 ZINC000381444926 345917022 /nfs/dbraw/zinc/91/70/22/345917022.db2.gz ASZFDFRFTNEFOG-NSHDSACASA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)C(N)=O ZINC000628253590 346230397 /nfs/dbraw/zinc/23/03/97/346230397.db2.gz OZELVFWSTHOQSQ-BDAKNGLRSA-N 1 3 213.325 0.323 20 0 BCADHO CCOC[C@H](O)C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000069277606 349943818 /nfs/dbraw/zinc/94/38/18/349943818.db2.gz UKEHDSLNGPQDTH-WCQYABFASA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@H](O)CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000069277606 349943822 /nfs/dbraw/zinc/94/38/22/349943822.db2.gz UKEHDSLNGPQDTH-WCQYABFASA-N 1 3 242.363 0.458 20 0 BCADHO CCOC[C@H](O)CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000069277606 349943825 /nfs/dbraw/zinc/94/38/25/349943825.db2.gz UKEHDSLNGPQDTH-WCQYABFASA-N 1 3 242.363 0.458 20 0 BCADHO CN(CCCC[NH+](C)C)C(=O)[C@H]1CCCN1C ZINC000673840797 488309355 /nfs/dbraw/zinc/30/93/55/488309355.db2.gz OAXZMEFEUFYMHE-GFCCVEGCSA-N 1 3 241.379 0.881 20 0 BCADHO CC[C@H](C(=O)NCC1([NH3+])CCC1)N(C)C ZINC000390673397 346297604 /nfs/dbraw/zinc/29/76/04/346297604.db2.gz WEUUTPTVIBLJQL-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[NH+](CC)CC[C@@H](CO)NC1CCOCC1 ZINC000641771175 362708473 /nfs/dbraw/zinc/70/84/73/362708473.db2.gz DGFQRNYHJDFURT-ZDUSSCGKSA-N 1 3 244.379 0.848 20 0 BCADHO [NH3+]CCCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000069734023 349956401 /nfs/dbraw/zinc/95/64/01/349956401.db2.gz HLMFHPHRIWTKHC-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CN(CCNC(=O)CCCC[NH3+])C1CC1 ZINC000069734314 349957049 /nfs/dbraw/zinc/95/70/49/349957049.db2.gz QDNHORZPAWASKI-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO C[C@]1(CNCCn2ccnc2)CC[NH2+]C1 ZINC000575046242 346421215 /nfs/dbraw/zinc/42/12/15/346421215.db2.gz HVMMVKMQYJTEPV-NSHDSACASA-N 1 3 208.309 0.472 20 0 BCADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000563411371 323124660 /nfs/dbraw/zinc/12/46/60/323124660.db2.gz FCOAUGRUUCSAST-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)NC)C1 ZINC000563411371 323124661 /nfs/dbraw/zinc/12/46/61/323124661.db2.gz FCOAUGRUUCSAST-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CCc1cncn1C ZINC000641798784 362746087 /nfs/dbraw/zinc/74/60/87/362746087.db2.gz IFAFKIXQWMYOOP-WZRBSPASSA-N 1 3 236.363 0.939 20 0 BCADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCc1cncn1C ZINC000641798784 362746090 /nfs/dbraw/zinc/74/60/90/362746090.db2.gz IFAFKIXQWMYOOP-WZRBSPASSA-N 1 3 236.363 0.939 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H](C)N1CCCC1 ZINC000161017354 346472561 /nfs/dbraw/zinc/47/25/61/346472561.db2.gz XLYZZWKODPQHEQ-LLVKDONJSA-N 1 3 227.352 0.587 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1cncn1C ZINC000641798161 362741612 /nfs/dbraw/zinc/74/16/12/362741612.db2.gz LWOKWSJFLIHHSB-GHMZBOCLSA-N 1 3 222.336 0.632 20 0 BCADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2)C1 ZINC000580076169 346513372 /nfs/dbraw/zinc/51/33/72/346513372.db2.gz VMIQDQLNCBEUDH-GARJFASQSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2)C1 ZINC000580076170 346513521 /nfs/dbraw/zinc/51/35/21/346513521.db2.gz VMIQDQLNCBEUDH-GMTAPVOTSA-N 1 3 225.336 0.372 20 0 BCADHO CCN(C)C(=O)CC[NH2+][C@H]1C[C@H](N)C1(C)C ZINC000641802289 362758456 /nfs/dbraw/zinc/75/84/56/362758456.db2.gz ITXQZIRXHGXMOK-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000249753052 346499279 /nfs/dbraw/zinc/49/92/79/346499279.db2.gz RZYGVPRTGOOPLS-VXGBXAGGSA-N 1 3 239.363 0.729 20 0 BCADHO Cn1ccc(CN[C@@H]2C[C@H]([NH3+])C2(C)C)cc1=O ZINC000641807739 362765574 /nfs/dbraw/zinc/76/55/74/362765574.db2.gz RNFCDGHOUCZAJA-WDEREUQCSA-N 1 3 235.331 0.601 20 0 BCADHO Cn1ccc(C[NH2+][C@@H]2C[C@H](N)C2(C)C)cc1=O ZINC000641807739 362765578 /nfs/dbraw/zinc/76/55/78/362765578.db2.gz RNFCDGHOUCZAJA-WDEREUQCSA-N 1 3 235.331 0.601 20 0 BCADHO C[C@@H]1CC[C@H](C[NH3+])N(C[C@H]2CNCCO2)[C@H]1C ZINC000641809549 362765998 /nfs/dbraw/zinc/76/59/98/362765998.db2.gz RGHYMLKHZGVVMR-YVECIDJPSA-N 1 3 241.379 0.423 20 0 BCADHO C[C@@H]1CN(CCc2cncn2C)C[C@H]1C[NH3+] ZINC000641817959 362769539 /nfs/dbraw/zinc/76/95/39/362769539.db2.gz AHFBRXJLIYJBEQ-GHMZBOCLSA-N 1 3 222.336 0.489 20 0 BCADHO CC(C)CN(CCN(C)C)C(=O)C[C@H](C)[NH3+] ZINC000037825199 346709910 /nfs/dbraw/zinc/70/99/10/346709910.db2.gz PJKQKCLBNCWYOS-NSHDSACASA-N 1 3 229.368 0.770 20 0 BCADHO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188854932 347290325 /nfs/dbraw/zinc/29/03/25/347290325.db2.gz WKTQFNSMCGGJRL-GARJFASQSA-N 1 3 245.342 0.533 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000082280614 347328601 /nfs/dbraw/zinc/32/86/01/347328601.db2.gz PFALQVDNDCYUIE-LLVKDONJSA-N 1 3 225.336 0.196 20 0 BCADHO CC[NH+](CC)CCNC(=O)[C@H](N)C(C)C ZINC000019489209 347330994 /nfs/dbraw/zinc/33/09/94/347330994.db2.gz KPMUVJNSBHJSJD-SNVBAGLBSA-N 1 3 215.341 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161031212 323143358 /nfs/dbraw/zinc/14/33/58/323143358.db2.gz IZAWSQWZDAUOGW-GHMZBOCLSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000582120854 347391329 /nfs/dbraw/zinc/39/13/29/347391329.db2.gz WEJSEGNZWQTRKG-SNVBAGLBSA-N 1 3 225.336 0.326 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C1(N)CCC1 ZINC000088050873 362840993 /nfs/dbraw/zinc/84/09/93/362840993.db2.gz GJXZTEGJYHYRHZ-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000054133646 347468964 /nfs/dbraw/zinc/46/89/64/347468964.db2.gz YNUSOUUPRVXKOP-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000054133646 347468967 /nfs/dbraw/zinc/46/89/67/347468967.db2.gz YNUSOUUPRVXKOP-VIFPVBQESA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382950362 347506899 /nfs/dbraw/zinc/50/68/99/347506899.db2.gz LMHRIEBOGOWFKQ-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382950362 347506902 /nfs/dbraw/zinc/50/69/02/347506902.db2.gz LMHRIEBOGOWFKQ-WDEREUQCSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000577222088 365889436 /nfs/dbraw/zinc/88/94/36/365889436.db2.gz DRHOVVLZKQJHAN-IMSYWVGJSA-N 1 3 213.325 0.165 20 0 BCADHO CC(C)OCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000159017009 347571362 /nfs/dbraw/zinc/57/13/62/347571362.db2.gz RGTODJIJXGDRCU-GFCCVEGCSA-N 1 3 230.352 0.458 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571641035 323150544 /nfs/dbraw/zinc/15/05/44/323150544.db2.gz YUQUSJFBTRAZQR-AEJSXWLSSA-N 1 3 213.325 0.357 20 0 BCADHO C[N@@H+]1CC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000591096396 347618678 /nfs/dbraw/zinc/61/86/78/347618678.db2.gz IVZGSEFSPVMVKO-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO C[N@H+]1CC[C@H](C(=O)NCCN2CCCCC2)C1 ZINC000591096396 347618679 /nfs/dbraw/zinc/61/86/79/347618679.db2.gz IVZGSEFSPVMVKO-LBPRGKRZSA-N 1 3 239.363 0.540 20 0 BCADHO CN(CCN1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591457877 347664898 /nfs/dbraw/zinc/66/48/98/347664898.db2.gz KMNXOPRXBKJOLJ-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO CN(CCN1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591457877 347664902 /nfs/dbraw/zinc/66/49/02/347664902.db2.gz KMNXOPRXBKJOLJ-LBPRGKRZSA-N 1 3 239.363 0.492 20 0 BCADHO CSCC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000592331197 347767944 /nfs/dbraw/zinc/76/79/44/347767944.db2.gz OCVKUIHKWWJLQG-GUBZILKMSA-N 1 3 245.392 0.453 20 0 BCADHO Cn1cncc1CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000401759864 347761595 /nfs/dbraw/zinc/76/15/95/347761595.db2.gz ULEHBOVGYBHGNY-QWRGUYRKSA-N 1 3 222.336 0.822 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000038098241 348053153 /nfs/dbraw/zinc/05/31/53/348053153.db2.gz KVGHKMFNVQEYGF-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CCN1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000038098244 348053224 /nfs/dbraw/zinc/05/32/24/348053224.db2.gz JERVVYFGDAILND-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@]1(F)CCNC1 ZINC000372120819 187386357 /nfs/dbraw/zinc/38/63/57/187386357.db2.gz FZEPYGMGLSBVQH-GHMZBOCLSA-N 1 3 231.315 0.178 20 0 BCADHO C[C@@H](CSCCF)NC[C@H](O)C[NH+](C)C ZINC000595020067 348171554 /nfs/dbraw/zinc/17/15/54/348171554.db2.gz SWUAGPKLDNXIBE-UWVGGRQHSA-N 1 3 238.372 0.590 20 0 BCADHO CC(C)(C[NH3+])NC(=O)[C@H]1CNCc2ccccc21 ZINC000335377278 535072170 /nfs/dbraw/zinc/07/21/70/535072170.db2.gz UETLFSSRNVVDFL-LBPRGKRZSA-N 1 3 247.342 0.727 20 0 BCADHO CC[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)N(C)C ZINC000125098803 187394411 /nfs/dbraw/zinc/39/44/11/187394411.db2.gz ROIWWGMHXKUQEM-RYUDHWBXSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCCC2)CS1 ZINC000397738541 362903897 /nfs/dbraw/zinc/90/38/97/362903897.db2.gz URWDUYDPYKKZPN-GRYCIOLGSA-N 1 3 244.404 0.927 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129113936 187395849 /nfs/dbraw/zinc/39/58/49/187395849.db2.gz IEUQCVZNJMNHSZ-MBYGNEARSA-N 1 3 239.363 0.759 20 0 BCADHO CSCC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595944493 348410938 /nfs/dbraw/zinc/41/09/38/348410938.db2.gz ZCIVOMDBTZVKJH-YUCVTWSNSA-N 1 3 243.376 0.017 20 0 BCADHO CC(C)[C@H](C)[N@@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595903549 348395499 /nfs/dbraw/zinc/39/54/99/348395499.db2.gz XYCZOJFDQANUNB-HBNTYKKESA-N 1 3 225.336 0.275 20 0 BCADHO CC(C)[C@H](C)[N@H+]1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595903549 348395501 /nfs/dbraw/zinc/39/55/01/348395501.db2.gz XYCZOJFDQANUNB-HBNTYKKESA-N 1 3 225.336 0.275 20 0 BCADHO CSC[C@@H](C)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000309100795 349986708 /nfs/dbraw/zinc/98/67/08/349986708.db2.gz IZKBJACLXWKBKO-KOLCDFICSA-N 1 3 232.393 0.783 20 0 BCADHO CSC[C@@H](C)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309100795 349986712 /nfs/dbraw/zinc/98/67/12/349986712.db2.gz IZKBJACLXWKBKO-KOLCDFICSA-N 1 3 232.393 0.783 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC([NH3+])CC1 ZINC000236647866 187396276 /nfs/dbraw/zinc/39/62/76/187396276.db2.gz CJRPXHHXERAMNS-UHFFFAOYSA-N 1 3 213.325 0.276 20 0 BCADHO CN(C)C[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000603556942 349993005 /nfs/dbraw/zinc/99/30/05/349993005.db2.gz CCDVBVYUTAZETH-ZDUSSCGKSA-N 1 3 249.358 0.769 20 0 BCADHO CN(C)C[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000603556942 349993006 /nfs/dbraw/zinc/99/30/06/349993006.db2.gz CCDVBVYUTAZETH-ZDUSSCGKSA-N 1 3 249.358 0.769 20 0 BCADHO Cn1cc(CNCCCC[NH+](C)C)nn1 ZINC000054861090 348717664 /nfs/dbraw/zinc/71/76/64/348717664.db2.gz LPCCBKMCXPBJPZ-UHFFFAOYSA-N 1 3 211.313 0.247 20 0 BCADHO C[C@H](CN1CCCCC1)NC(=O)C1(C)C[NH2+]C1 ZINC000399248332 323201781 /nfs/dbraw/zinc/20/17/81/323201781.db2.gz LKZJRAKUASSFKW-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000308924245 349129202 /nfs/dbraw/zinc/12/92/02/349129202.db2.gz CVNYTZOBEZKMQO-RKDXNWHRSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000251026601 349181969 /nfs/dbraw/zinc/18/19/69/349181969.db2.gz GFLRQQJNUKWSEM-BJDJZHNGSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000251026601 349181970 /nfs/dbraw/zinc/18/19/70/349181970.db2.gz GFLRQQJNUKWSEM-BJDJZHNGSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@@H]1CCN(CCN2CCOCC2)C[C@H]1C[NH3+] ZINC000253238138 349229519 /nfs/dbraw/zinc/22/95/19/349229519.db2.gz PTKYRODKOMMLAX-CHWSQXEVSA-N 1 3 241.379 0.235 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623516481 362942037 /nfs/dbraw/zinc/94/20/37/362942037.db2.gz UIQLYVGJWHSUIL-GHMZBOCLSA-N 1 3 230.352 0.456 20 0 BCADHO COC[C@H](O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623516481 362942041 /nfs/dbraw/zinc/94/20/41/362942041.db2.gz UIQLYVGJWHSUIL-GHMZBOCLSA-N 1 3 230.352 0.456 20 0 BCADHO C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)N1CCCC1 ZINC000252479097 349203329 /nfs/dbraw/zinc/20/33/29/349203329.db2.gz HHHXWCPKIHXIST-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CN(C)Cc1cccc(NC(=O)NCC[NH3+])c1 ZINC000623053585 349285035 /nfs/dbraw/zinc/28/50/35/349285035.db2.gz JZGCBZRMIVCHGU-UHFFFAOYSA-N 1 3 236.319 0.828 20 0 BCADHO CC[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000563094466 350014340 /nfs/dbraw/zinc/01/43/40/350014340.db2.gz DHMGIFUAUAQMBZ-LBPRGKRZSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@H](C)C[NH3+] ZINC000309151718 350107468 /nfs/dbraw/zinc/10/74/68/350107468.db2.gz WMDQATMUDUNCJI-PSASIEDQSA-N 1 3 201.314 0.215 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H](C)C[NH3+] ZINC000309151721 350107516 /nfs/dbraw/zinc/10/75/16/350107516.db2.gz WMDQATMUDUNCJI-WPRPVWTQSA-N 1 3 201.314 0.215 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CCC1)[N@H+](C)C1CC1 ZINC000219973210 350153785 /nfs/dbraw/zinc/15/37/85/350153785.db2.gz RJFNVFRNLDZJQT-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CCC1)[N@@H+](C)C1CC1 ZINC000219973210 350153787 /nfs/dbraw/zinc/15/37/87/350153787.db2.gz RJFNVFRNLDZJQT-VIFPVBQESA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N(C)C ZINC000427279833 191058742 /nfs/dbraw/zinc/05/87/42/191058742.db2.gz GSIOMMVQJGYHCQ-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO CC(C)(N)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000363668705 191064047 /nfs/dbraw/zinc/06/40/47/191064047.db2.gz GNEAPEXKLYIUEE-LPEHRKFASA-N 1 3 225.336 0.310 20 0 BCADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000230191408 490388227 /nfs/dbraw/zinc/38/82/27/490388227.db2.gz IIQVLAGHDAFYGW-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@H](C(=O)NCC1=CC[NH2+]CC1)N(C)C ZINC000427586826 191082126 /nfs/dbraw/zinc/08/21/26/191082126.db2.gz GBXUIMOPDHBLJA-GFCCVEGCSA-N 1 3 239.363 0.609 20 0 BCADHO CCCN(C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000427592100 191083224 /nfs/dbraw/zinc/08/32/24/191083224.db2.gz OEWGEERCHIWCRA-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000309258609 350242778 /nfs/dbraw/zinc/24/27/78/350242778.db2.gz HFMBSBZRWGMXDJ-NXEZZACHSA-N 1 3 213.325 0.086 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@@H](C)CC[NH3+] ZINC000309101793 323317604 /nfs/dbraw/zinc/31/76/04/323317604.db2.gz GDMYIIRUHUAQBE-WPRPVWTQSA-N 1 3 201.314 0.357 20 0 BCADHO CN1CCCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000084381679 538083783 /nfs/dbraw/zinc/08/37/83/538083783.db2.gz HMBGABXKCQEGGK-LLVKDONJSA-N 1 3 225.336 0.150 20 0 BCADHO CC[NH+]1CCC(N(C)C[C@H](O)COC)CC1 ZINC000068891201 350300162 /nfs/dbraw/zinc/30/01/62/350300162.db2.gz SESXTEGKKVWRTF-LBPRGKRZSA-N 1 3 230.352 0.410 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000309395600 350367197 /nfs/dbraw/zinc/36/71/97/350367197.db2.gz GNVWMHMPTFNPOZ-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CC[N@H+](C)C[C@H](O)CNC(C)(C)C(C)(C)O ZINC000309216431 323329603 /nfs/dbraw/zinc/32/96/03/323329603.db2.gz FPJLOSNCJZCFIT-SNVBAGLBSA-N 1 3 232.368 0.438 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CNC(C)(C)C(C)(C)O ZINC000309216431 323329605 /nfs/dbraw/zinc/32/96/05/323329605.db2.gz FPJLOSNCJZCFIT-SNVBAGLBSA-N 1 3 232.368 0.438 20 0 BCADHO C[C@@H]([NH3+])c1ccc(CNC(=O)CN)cc1 ZINC000309372108 350354829 /nfs/dbraw/zinc/35/48/29/350354829.db2.gz CBVYAHZREUOMCO-MRVPVSSYSA-N 1 3 207.277 0.281 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000335345218 350361630 /nfs/dbraw/zinc/36/16/30/350361630.db2.gz LVMCMMLRGOUWQJ-GHMZBOCLSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)CN(C)C(C)C ZINC000429141677 191097530 /nfs/dbraw/zinc/09/75/30/191097530.db2.gz LOKKNIXKDVPEQC-JTQLQIEISA-N 1 3 215.341 0.426 20 0 BCADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1(N)CCC1 ZINC000335354218 350365691 /nfs/dbraw/zinc/36/56/91/350365691.db2.gz FHTQVOUFSFFPNB-SNVBAGLBSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H]1NCCN(C(=O)NCC[NH2+]C2CC2)[C@H]1C ZINC000637339555 350465541 /nfs/dbraw/zinc/46/55/41/350465541.db2.gz JMKKFIQEVWJAJJ-ZJUUUORDSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](C)CN(C)C ZINC000637485731 350647544 /nfs/dbraw/zinc/64/75/44/350647544.db2.gz BZLHCIYTSATDCM-NSHDSACASA-N 1 3 244.383 0.624 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@H](N)C(C)C)C1 ZINC000309515502 350694756 /nfs/dbraw/zinc/69/47/56/350694756.db2.gz YMRZONWTFFTBPV-NXEZZACHSA-N 1 3 213.325 0.038 20 0 BCADHO CN1CC[C@H]([NH2+][C@H]2CCNC2=O)CC1(C)C ZINC000623562033 362985857 /nfs/dbraw/zinc/98/58/57/362985857.db2.gz FOMPWXWTFANVHM-UWVGGRQHSA-N 1 3 225.336 0.337 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)C(C)(C)O ZINC000382817951 351053322 /nfs/dbraw/zinc/05/33/22/351053322.db2.gz VJEFTHFKPKNGFD-MNOVXSKESA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C(C)(C)O ZINC000382817951 351053324 /nfs/dbraw/zinc/05/33/24/351053324.db2.gz VJEFTHFKPKNGFD-MNOVXSKESA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)C(C)(C)O ZINC000382817953 351053453 /nfs/dbraw/zinc/05/34/53/351053453.db2.gz VJEFTHFKPKNGFD-WDEREUQCSA-N 1 3 232.368 0.390 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)[C@@H](C)C(C)(C)O ZINC000382817953 351053456 /nfs/dbraw/zinc/05/34/56/351053456.db2.gz VJEFTHFKPKNGFD-WDEREUQCSA-N 1 3 232.368 0.390 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079510957 351067055 /nfs/dbraw/zinc/06/70/55/351067055.db2.gz HWUWKFLGSUPHLN-AAEUAGOBSA-N 1 3 239.363 0.729 20 0 BCADHO CN1CCC[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079520633 351071208 /nfs/dbraw/zinc/07/12/08/351071208.db2.gz ZVQJUSGUCPKEOZ-AAEUAGOBSA-N 1 3 239.363 0.587 20 0 BCADHO COC[C@@H](NCC1([NH3+])CCOCC1)C1CC1 ZINC000398147508 363019664 /nfs/dbraw/zinc/01/96/64/363019664.db2.gz YAXZIXKSSMCTER-LLVKDONJSA-N 1 3 228.336 0.509 20 0 BCADHO COCC[C@@H](C)[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000380187348 351380819 /nfs/dbraw/zinc/38/08/19/351380819.db2.gz PLSPYENFXPVFQE-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO COCC[C@@H](C)[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000380187348 351380824 /nfs/dbraw/zinc/38/08/24/351380824.db2.gz PLSPYENFXPVFQE-OLZOCXBDSA-N 1 3 241.379 0.391 20 0 BCADHO CSCC[C@H](CO)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571938885 323509953 /nfs/dbraw/zinc/50/99/53/323509953.db2.gz IRPATMCVXBDBGX-GMTAPVOTSA-N 1 3 232.393 0.960 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000088051445 351540288 /nfs/dbraw/zinc/54/02/88/351540288.db2.gz XQZDJOANQFQXPE-JTQLQIEISA-N 1 3 225.336 0.420 20 0 BCADHO CCN(CC[NH3+])C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000626969796 363070551 /nfs/dbraw/zinc/07/05/51/363070551.db2.gz GRWZUSWZSSGONX-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[NH2+]CCC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000572155992 323554188 /nfs/dbraw/zinc/55/41/88/323554188.db2.gz ZVRAXPNNDYHTDB-NSHDSACASA-N 1 3 241.379 0.785 20 0 BCADHO CN[C@@H](C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000577625526 366024737 /nfs/dbraw/zinc/02/47/37/366024737.db2.gz LJSLCFXLSOWFIL-UWVGGRQHSA-N 1 3 235.331 0.930 20 0 BCADHO CN[C@@H](C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000577625528 366024762 /nfs/dbraw/zinc/02/47/62/366024762.db2.gz LJSLCFXLSOWFIL-ZJUUUORDSA-N 1 3 235.331 0.930 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000637811917 351647219 /nfs/dbraw/zinc/64/72/19/351647219.db2.gz SOUXUEWQBSNPQL-NXEZZACHSA-N 1 3 213.325 0.228 20 0 BCADHO CCN[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000637814164 351659259 /nfs/dbraw/zinc/65/92/59/351659259.db2.gz IPXFAIDEWRJMJL-VHSXEESVSA-N 1 3 213.325 0.100 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC000577734290 366047367 /nfs/dbraw/zinc/04/73/67/366047367.db2.gz ZGGALGXJYNKPHS-LLVKDONJSA-N 1 3 229.368 0.688 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000637835287 351686718 /nfs/dbraw/zinc/68/67/18/351686718.db2.gz GFWRTJXSKUKRBH-QWRGUYRKSA-N 1 3 227.352 0.570 20 0 BCADHO CCN[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000637836143 351687336 /nfs/dbraw/zinc/68/73/36/351687336.db2.gz SNZHTIPVEMPQMC-UWVGGRQHSA-N 1 3 213.325 0.052 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000637834429 351689016 /nfs/dbraw/zinc/68/90/16/351689016.db2.gz WPHFVOOVOVRQQX-NWDGAFQWSA-N 1 3 241.379 0.866 20 0 BCADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2)C1 ZINC000577731834 366046569 /nfs/dbraw/zinc/04/65/69/366046569.db2.gz VMIQDQLNCBEUDH-VWYCJHECSA-N 1 3 225.336 0.372 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000577731783 366046682 /nfs/dbraw/zinc/04/66/82/366046682.db2.gz SHNJXIZLPIGXKQ-IUCAKERBSA-N 1 3 249.305 0.699 20 0 BCADHO CC[C@@H](C(=O)N1CC[NH2+]CC1(C)C)N(C)C ZINC000637857579 351717644 /nfs/dbraw/zinc/71/76/44/351717644.db2.gz RDINWEXEBCKKHZ-JTQLQIEISA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000637850747 351708359 /nfs/dbraw/zinc/70/83/59/351708359.db2.gz CAOWZOSJFCGXCJ-QJPTWQEYSA-N 1 3 241.379 0.960 20 0 BCADHO N[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000577849005 366074894 /nfs/dbraw/zinc/07/48/94/366074894.db2.gz RQZJEDFCCJBBND-RYUDHWBXSA-N 1 3 239.363 0.762 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1CC ZINC000638047437 351926728 /nfs/dbraw/zinc/92/67/28/351926728.db2.gz HNNXLYMZAPJZRO-WDEREUQCSA-N 1 3 227.352 0.585 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN1CCCC[C@H]1C ZINC000638069353 351941712 /nfs/dbraw/zinc/94/17/12/351941712.db2.gz JMNCTBKFKPFMIA-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638072545 351944473 /nfs/dbraw/zinc/94/44/73/351944473.db2.gz NXAWVUQVRHMDDN-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638072545 351944475 /nfs/dbraw/zinc/94/44/75/351944475.db2.gz NXAWVUQVRHMDDN-IJLUTSLNSA-N 1 3 239.363 0.727 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000638072231 351944740 /nfs/dbraw/zinc/94/47/40/351944740.db2.gz KZRPSAOEYDVWBZ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000638072231 351944744 /nfs/dbraw/zinc/94/47/44/351944744.db2.gz KZRPSAOEYDVWBZ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)CN(C)CC(C)(C)C ZINC000638145226 352008259 /nfs/dbraw/zinc/00/82/59/352008259.db2.gz QAGITPPZBRYFNA-SNVBAGLBSA-N 1 3 229.368 0.675 20 0 BCADHO COCC[NH2+]CCNC(=O)[C@@H](N)CCC(C)C ZINC000638153915 352014361 /nfs/dbraw/zinc/01/43/61/352014361.db2.gz LIYXJQOFBHWDHK-NSHDSACASA-N 1 3 245.367 0.102 20 0 BCADHO CCC[NH+]1CCC(NC(=O)C2(N)CC2)CC1 ZINC000083835349 351956914 /nfs/dbraw/zinc/95/69/14/351956914.db2.gz LBHJHYPFHXEWJH-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H](CNC(=O)CCC1C[NH2+]C1)N(C)C ZINC000638081513 351957398 /nfs/dbraw/zinc/95/73/98/351957398.db2.gz ZUELZFFZCSZGGN-VIFPVBQESA-N 1 3 213.325 0.052 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)NCCN(C)C1CC1 ZINC000638085460 351961981 /nfs/dbraw/zinc/96/19/81/351961981.db2.gz ZXMPSVXAYJREBN-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000638097924 351978836 /nfs/dbraw/zinc/97/88/36/351978836.db2.gz XQMABIKMCLYDIK-RYUDHWBXSA-N 1 3 237.347 0.587 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638097925 351979142 /nfs/dbraw/zinc/97/91/42/351979142.db2.gz XQMABIKMCLYDIK-VXGBXAGGSA-N 1 3 237.347 0.587 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000638127664 351998813 /nfs/dbraw/zinc/99/88/13/351998813.db2.gz XEVBAFJIMOLIGD-ZYHUDNBSSA-N 1 3 237.347 0.492 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)CN1C1CC1 ZINC000638136487 352002726 /nfs/dbraw/zinc/00/27/26/352002726.db2.gz ZAAMHXHESUZDNB-USWWRNFRSA-N 1 3 249.358 0.775 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)CN1C1CC1 ZINC000638136488 352002823 /nfs/dbraw/zinc/00/28/23/352002823.db2.gz ZAAMHXHESUZDNB-YUSALJHKSA-N 1 3 249.358 0.775 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638134477 352003027 /nfs/dbraw/zinc/00/30/27/352003027.db2.gz NODKZHRWUAEHRF-SUZMYJTESA-N 1 3 249.358 0.633 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CCC(C)C ZINC000638212476 352074614 /nfs/dbraw/zinc/07/46/14/352074614.db2.gz JBSLXOLTCUZTSO-MNOVXSKESA-N 1 3 229.368 0.864 20 0 BCADHO C(C[C@@H]1CCO1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638186105 352051068 /nfs/dbraw/zinc/05/10/68/352051068.db2.gz LGHFWJYIULMBPQ-GRYCIOLGSA-N 1 3 210.321 0.707 20 0 BCADHO C(C[C@@H]1CCO1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000638186106 352051327 /nfs/dbraw/zinc/05/13/27/352051327.db2.gz LGHFWJYIULMBPQ-IJLUTSLNSA-N 1 3 210.321 0.707 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCC1C[NH2+]C1 ZINC000638203812 352065135 /nfs/dbraw/zinc/06/51/35/352065135.db2.gz HRSBGZBZQYLBGS-VHSXEESVSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000638153185 352017305 /nfs/dbraw/zinc/01/73/05/352017305.db2.gz CRYZFAHRVXZKDY-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO CN(CC(=O)NCC1([NH3+])CCC1)CC(C)(C)C ZINC000638162289 352026526 /nfs/dbraw/zinc/02/65/26/352026526.db2.gz OZIYWBIRXCAQFF-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CCN[C@H](C)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638247897 352093886 /nfs/dbraw/zinc/09/38/86/352093886.db2.gz PVVSZETTYIBQCW-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CCN[C@H](C)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000638248953 352095110 /nfs/dbraw/zinc/09/51/10/352095110.db2.gz WGCAICKFXLAEPV-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO CC[C@H](C(=O)NC(C)(C)CCC[NH3+])N(C)C ZINC000638251780 352099348 /nfs/dbraw/zinc/09/93/48/352099348.db2.gz QFFXJXAULYSIJW-SNVBAGLBSA-N 1 3 229.368 0.960 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000638271313 352109589 /nfs/dbraw/zinc/10/95/89/352109589.db2.gz VLVJQNYALNEAQP-DTWKUNHWSA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000638333424 352151880 /nfs/dbraw/zinc/15/18/80/352151880.db2.gz XDXPXXHPDVUABY-NWDGAFQWSA-N 1 3 241.379 0.946 20 0 BCADHO CC[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)N(C)C ZINC000638331406 352152974 /nfs/dbraw/zinc/15/29/74/352152974.db2.gz HQTLMDYJWWTEKK-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638370036 352181110 /nfs/dbraw/zinc/18/11/10/352181110.db2.gz WGDKODIYSLSNFG-GHMZBOCLSA-N 1 3 239.363 0.775 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375925 352185805 /nfs/dbraw/zinc/18/58/05/352185805.db2.gz JUMKUDKCKZUWRX-GHMZBOCLSA-N 1 3 239.363 0.775 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)[C@@H]2C1 ZINC000638313324 352140134 /nfs/dbraw/zinc/14/01/34/352140134.db2.gz UAEZXTVRPIBFLO-RAIGVLPGSA-N 1 3 249.358 0.587 20 0 BCADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638430746 352238380 /nfs/dbraw/zinc/23/83/80/352238380.db2.gz HKFIGERAJWBPTN-GMTAPVOTSA-N 1 3 243.326 0.226 20 0 BCADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000638430746 352238383 /nfs/dbraw/zinc/23/83/83/352238383.db2.gz HKFIGERAJWBPTN-GMTAPVOTSA-N 1 3 243.326 0.226 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000638402860 352209270 /nfs/dbraw/zinc/20/92/70/352209270.db2.gz UZHGYQVZDNYPFD-JTQLQIEISA-N 1 3 229.368 0.946 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000638404332 352210369 /nfs/dbraw/zinc/21/03/69/352210369.db2.gz ALASKKZUDHIDAL-GHMZBOCLSA-N 1 3 241.379 0.973 20 0 BCADHO CC[NH2+][C@@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000638404334 352210681 /nfs/dbraw/zinc/21/06/81/352210681.db2.gz ALASKKZUDHIDAL-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000638404333 352210743 /nfs/dbraw/zinc/21/07/43/352210743.db2.gz ALASKKZUDHIDAL-MNOVXSKESA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000638417700 352227514 /nfs/dbraw/zinc/22/75/14/352227514.db2.gz IZZVQZSMPUNCGN-AKJDGMEZSA-N 1 3 239.363 0.700 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000638435575 352245932 /nfs/dbraw/zinc/24/59/32/352245932.db2.gz CZEYVEXXSRNUCP-NSHDSACASA-N 1 3 222.292 0.129 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000627052813 363172293 /nfs/dbraw/zinc/17/22/93/363172293.db2.gz SWDIGWHNQDHYDZ-OUAUKWLOSA-N 1 3 242.367 0.376 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638499590 352319141 /nfs/dbraw/zinc/31/91/41/352319141.db2.gz QWTZRBVLKHUZAL-JQWIXIFHSA-N 1 3 239.363 0.905 20 0 BCADHO NC1(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCCC1 ZINC000638499886 352319246 /nfs/dbraw/zinc/31/92/46/352319246.db2.gz SKMZUGQGCXOYLC-SNVBAGLBSA-N 1 3 237.347 0.659 20 0 BCADHO CC[NH+](CC)CC(=O)N1CCNC[C@H]1C(C)C ZINC000638489668 352300937 /nfs/dbraw/zinc/30/09/37/352300937.db2.gz NIBGPTFDSTVMHE-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505310 352326334 /nfs/dbraw/zinc/32/63/34/352326334.db2.gz KWZJQTIDBJNLLA-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638511115 352335564 /nfs/dbraw/zinc/33/55/64/352335564.db2.gz ZOJDKZWMPMWJIG-NXEZZACHSA-N 1 3 237.347 0.385 20 0 BCADHO N[C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511414 352336177 /nfs/dbraw/zinc/33/61/77/352336177.db2.gz OXCNROCGGVKTSG-WDEREUQCSA-N 1 3 237.347 0.515 20 0 BCADHO N[C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CCC1 ZINC000638511412 352336415 /nfs/dbraw/zinc/33/64/15/352336415.db2.gz OXCNROCGGVKTSG-QWRGUYRKSA-N 1 3 237.347 0.515 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638515085 352340697 /nfs/dbraw/zinc/34/06/97/352340697.db2.gz YBTAGFWJNWRUIQ-LLVKDONJSA-N 1 3 248.330 0.661 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638515086 352340866 /nfs/dbraw/zinc/34/08/66/352340866.db2.gz YBTAGFWJNWRUIQ-NSHDSACASA-N 1 3 248.330 0.661 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN1C ZINC000638528886 352361610 /nfs/dbraw/zinc/36/16/10/352361610.db2.gz VOXBXTADWROICB-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000336741316 352378625 /nfs/dbraw/zinc/37/86/25/352378625.db2.gz NDATXLTWNPVCPO-NXEZZACHSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000638572013 352396799 /nfs/dbraw/zinc/39/67/99/352396799.db2.gz CYYKHHMNUUQPEJ-IVZWLZJFSA-N 1 3 225.336 0.241 20 0 BCADHO CCC[C@@](C)(N)C(=O)N(C)CCOCC[NH2+]C ZINC000638586300 352416546 /nfs/dbraw/zinc/41/65/46/352416546.db2.gz OVISYKQOHMFBLB-GFCCVEGCSA-N 1 3 245.367 0.198 20 0 BCADHO C[NH2+]CCOCCN(C)C(=O)CN(C)C(C)C ZINC000638591037 352422466 /nfs/dbraw/zinc/42/24/66/352422466.db2.gz AJHUOAWXGSWYPG-UHFFFAOYSA-N 1 3 245.367 0.021 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N(C)C ZINC000638641179 352483306 /nfs/dbraw/zinc/48/33/06/352483306.db2.gz DGDAFGOTEZSABI-IJLUTSLNSA-N 1 3 241.379 0.829 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NCCc2cnccn2)C1 ZINC000390090828 352486852 /nfs/dbraw/zinc/48/68/52/352486852.db2.gz BRDBPSVJWPWRFF-MNOVXSKESA-N 1 3 220.320 0.879 20 0 BCADHO C[C@H]1CC[C@H](NC(=O)C2CCN(C)CC2)C[NH2+]1 ZINC000638644879 352488114 /nfs/dbraw/zinc/48/81/14/352488114.db2.gz IRHJYBMYJGUHCU-JQWIXIFHSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1CC[C@@H](NC(=O)C2(N)CCCCC2)C[NH2+]1 ZINC000638655884 352498447 /nfs/dbraw/zinc/49/84/47/352498447.db2.gz RSAQKNYSHHTWNX-WDEREUQCSA-N 1 3 239.363 0.905 20 0 BCADHO C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000638668963 352510988 /nfs/dbraw/zinc/51/09/88/352510988.db2.gz UGUDQQXUSNRXPK-VIFPVBQESA-N 1 3 249.314 0.702 20 0 BCADHO O=C(Nc1ccc2c(c1)OCCNC2)[C@H]1CC[NH2+]1 ZINC000638669048 352511068 /nfs/dbraw/zinc/51/10/68/352511068.db2.gz XCFCLWPGMDVDJY-LLVKDONJSA-N 1 3 247.298 0.469 20 0 BCADHO CCN1CCC(N(C)C(=O)[C@@H](C)C[NH3+])CC1 ZINC000044807937 352657385 /nfs/dbraw/zinc/65/73/85/352657385.db2.gz ZSHQYFRYKZTBJE-JTQLQIEISA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000638766389 352703172 /nfs/dbraw/zinc/70/31/72/352703172.db2.gz VLBWHGIHACRAMY-MMWGEVLESA-N 1 3 225.336 0.241 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)Cc1ccccc1 ZINC000638773763 352719744 /nfs/dbraw/zinc/71/97/44/352719744.db2.gz QIGZOWJSLJUTSN-WCFLWFBJSA-N 1 3 247.342 0.423 20 0 BCADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCOC2)CC1 ZINC000638773623 352713034 /nfs/dbraw/zinc/71/30/34/352713034.db2.gz NVIMLESOYOMDFZ-GFCCVEGCSA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334185709 352774829 /nfs/dbraw/zinc/77/48/29/352774829.db2.gz CDZVHPNVOZHDTH-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO C[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334185709 352774834 /nfs/dbraw/zinc/77/48/34/352774834.db2.gz CDZVHPNVOZHDTH-NEPJUHHUSA-N 1 3 212.337 0.785 20 0 BCADHO CNCC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638841453 353018094 /nfs/dbraw/zinc/01/80/94/353018094.db2.gz UDLZIMXHYSDKOK-UHFFFAOYSA-N 1 3 233.315 0.168 20 0 BCADHO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN2CCC1CC2 ZINC000638854621 353029177 /nfs/dbraw/zinc/02/91/77/353029177.db2.gz SAGNNPOYAMBHBM-GRYCIOLGSA-N 1 3 237.347 0.276 20 0 BCADHO CN(C(=O)C1=CC[C@H]([NH3+])C1)[C@H]1CN2CCC1CC2 ZINC000638854893 353031966 /nfs/dbraw/zinc/03/19/66/353031966.db2.gz VQALDSLAJCAAIB-STQMWFEESA-N 1 3 249.358 0.587 20 0 BCADHO N[C@@H](CC(F)F)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638818723 352999671 /nfs/dbraw/zinc/99/96/71/352999671.db2.gz FHQMRCMRPNSSIT-IUCAKERBSA-N 1 3 249.305 0.699 20 0 BCADHO NC1(C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000638821837 353002860 /nfs/dbraw/zinc/00/28/60/353002860.db2.gz BKUJQNGRJUBGIB-SECBINFHSA-N 1 3 211.309 0.208 20 0 BCADHO CC(C)(N)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638822154 353003373 /nfs/dbraw/zinc/00/33/73/353003373.db2.gz HCBROCPHQXRFHO-VIFPVBQESA-N 1 3 213.325 0.454 20 0 BCADHO CCN(CC)CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638937267 353111475 /nfs/dbraw/zinc/11/14/75/353111475.db2.gz SHYVGPAALKXSPL-ZJUUUORDSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638937264 353111658 /nfs/dbraw/zinc/11/16/58/353111658.db2.gz SHYVGPAALKXSPL-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)N(C)C ZINC000638933757 353096310 /nfs/dbraw/zinc/09/63/10/353096310.db2.gz ZQFHKOCVZAQVAM-IVZWLZJFSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638933905 353096725 /nfs/dbraw/zinc/09/67/25/353096725.db2.gz DAOIVDIDEZSJAU-KXNHARMFSA-N 1 3 239.363 0.807 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638934483 353098292 /nfs/dbraw/zinc/09/82/92/353098292.db2.gz IKKFLOAIISIXFJ-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)(N)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638943144 353141367 /nfs/dbraw/zinc/14/13/67/353141367.db2.gz QNVTUUJGEKICDH-KYZUINATSA-N 1 3 213.325 0.357 20 0 BCADHO [NH3+]CCOCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000357105923 188066289 /nfs/dbraw/zinc/06/62/89/188066289.db2.gz OSFTYMZQWLLFEA-LBPRGKRZSA-N 1 3 238.335 0.912 20 0 BCADHO CC(C)([NH3+])CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000335284617 535202435 /nfs/dbraw/zinc/20/24/35/535202435.db2.gz GDMSKORZMOFGNJ-JTQLQIEISA-N 1 3 240.351 0.213 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000370158362 188073556 /nfs/dbraw/zinc/07/35/56/188073556.db2.gz FMCHKZOETMXOMY-DCAQKATOSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N(C)C ZINC000376387297 188078062 /nfs/dbraw/zinc/07/80/62/188078062.db2.gz PVNDSYHQHFXGMO-VXGBXAGGSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950651 353153753 /nfs/dbraw/zinc/15/37/53/353153753.db2.gz PZMMKGFHDKUTQE-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO N[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C1CCC1 ZINC000638950789 353153756 /nfs/dbraw/zinc/15/37/56/353153756.db2.gz SXTGZPSODGCUSX-DLOVCJGASA-N 1 3 239.363 0.748 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484908 188082716 /nfs/dbraw/zinc/08/27/16/188082716.db2.gz ZUKCLACBZNMPEL-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484908 188082717 /nfs/dbraw/zinc/08/27/17/188082717.db2.gz ZUKCLACBZNMPEL-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000037484909 188083380 /nfs/dbraw/zinc/08/33/80/188083380.db2.gz ZUKCLACBZNMPEL-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484909 188083383 /nfs/dbraw/zinc/08/33/83/188083383.db2.gz ZUKCLACBZNMPEL-WDEREUQCSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261581737 535206390 /nfs/dbraw/zinc/20/63/90/535206390.db2.gz NVMXCCLTTKETMI-OPRDCNLKSA-N 1 3 213.325 0.356 20 0 BCADHO CC(C)[NH+]1CCC(NC(=O)C2(N)CCC2)CC1 ZINC000147740728 188159209 /nfs/dbraw/zinc/15/92/09/188159209.db2.gz QBTSVUZPRHKIJF-UHFFFAOYSA-N 1 3 239.363 0.857 20 0 BCADHO CC(C)[N@H+](C)CCCN[C@H](C)CC(N)=O ZINC000309079952 188165987 /nfs/dbraw/zinc/16/59/87/188165987.db2.gz OECRIKOARXWLPL-SNVBAGLBSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(N)=O ZINC000309079952 188165989 /nfs/dbraw/zinc/16/59/89/188165989.db2.gz OECRIKOARXWLPL-SNVBAGLBSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(N)=O ZINC000309079952 188165990 /nfs/dbraw/zinc/16/59/90/188165990.db2.gz OECRIKOARXWLPL-SNVBAGLBSA-N 1 3 215.341 0.570 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)N ZINC000236813895 188148604 /nfs/dbraw/zinc/14/86/04/188148604.db2.gz FENGGLMFKUVZSV-SECBINFHSA-N 1 3 215.341 0.556 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000365093497 188178096 /nfs/dbraw/zinc/17/80/96/188178096.db2.gz LCXLZRMRPZXILZ-GVXVVHGQSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@]2(CCC[C@H]2[NH3+])C1 ZINC000365093498 188178818 /nfs/dbraw/zinc/17/88/18/188178818.db2.gz LCXLZRMRPZXILZ-MDZLAQPJSA-N 1 3 239.363 0.700 20 0 BCADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCC2CC2)C1 ZINC000070074111 353253507 /nfs/dbraw/zinc/25/35/07/353253507.db2.gz ANNRXCXAEXSQAJ-GFCCVEGCSA-N 1 3 239.363 0.573 20 0 BCADHO CCN(C)CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000250094969 353267448 /nfs/dbraw/zinc/26/74/48/353267448.db2.gz XQFSPHINTJASGN-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)CN(C)C ZINC000352711300 188232334 /nfs/dbraw/zinc/23/23/34/188232334.db2.gz AKEYFXSZXCYMQK-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)CN(C)C ZINC000352711300 188232335 /nfs/dbraw/zinc/23/23/35/188232335.db2.gz AKEYFXSZXCYMQK-NSHDSACASA-N 1 3 244.383 0.576 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639028259 353288719 /nfs/dbraw/zinc/28/87/19/353288719.db2.gz XSZIJIUNLAFHQC-DCAQKATOSA-N 1 3 225.336 0.324 20 0 BCADHO CCN[C@@H](C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029399 353295762 /nfs/dbraw/zinc/29/57/62/353295762.db2.gz AGGXNSPHIOHVKG-GUBZILKMSA-N 1 3 213.325 0.371 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCNC3)C[C@H]12 ZINC000252841690 353312193 /nfs/dbraw/zinc/31/21/93/353312193.db2.gz APCRVSADWOGUKO-QNWHQSFQSA-N 1 3 224.348 0.689 20 0 BCADHO O[C@@H]1CC[C@@H]2C[N@@H+](C[C@H]3CCCNC3)C[C@H]12 ZINC000252841690 353312195 /nfs/dbraw/zinc/31/21/95/353312195.db2.gz APCRVSADWOGUKO-QNWHQSFQSA-N 1 3 224.348 0.689 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N(C)C ZINC000639043582 353324193 /nfs/dbraw/zinc/32/41/93/353324193.db2.gz UBWRVBVHRPGGKH-IJLUTSLNSA-N 1 3 241.379 0.959 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCCCC1 ZINC000165381179 353326562 /nfs/dbraw/zinc/32/65/62/353326562.db2.gz NAWJRUGVSFKBAI-QWRGUYRKSA-N 1 3 227.352 0.572 20 0 BCADHO OC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CCCC1 ZINC000085283265 538116320 /nfs/dbraw/zinc/11/63/20/538116320.db2.gz MTTRUJGSUFTGNJ-GHMZBOCLSA-N 1 3 210.321 0.443 20 0 BCADHO c1cn(CCCN2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000085283255 538116424 /nfs/dbraw/zinc/11/64/24/538116424.db2.gz FZNNXRSMZWIPIG-VXGBXAGGSA-N 1 3 220.320 0.424 20 0 BCADHO c1cn(CCCN2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283253 538116451 /nfs/dbraw/zinc/11/64/51/538116451.db2.gz FZNNXRSMZWIPIG-TXEJJXNPSA-N 1 3 220.320 0.424 20 0 BCADHO CCN1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000133145962 353399230 /nfs/dbraw/zinc/39/92/30/353399230.db2.gz OMJNHMGZTHHQNE-UHFFFAOYSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000165687787 353453147 /nfs/dbraw/zinc/45/31/47/353453147.db2.gz CBQHFVYONRBHMQ-VXGBXAGGSA-N 1 3 239.363 0.811 20 0 BCADHO CCCN(C(=O)[C@]1(F)CCNC1)[C@H]1CC[NH2+]C1 ZINC000178936458 535237319 /nfs/dbraw/zinc/23/73/19/535237319.db2.gz TZSXOGIPZKAYEV-JQWIXIFHSA-N 1 3 243.326 0.289 20 0 BCADHO COCCCN(C)CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192120239 353544033 /nfs/dbraw/zinc/54/40/33/353544033.db2.gz KSANWLZMZJMFJR-GHMZBOCLSA-N 1 3 245.367 0.054 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NCCN1CCC[C@H](C)C1 ZINC000193298977 353589136 /nfs/dbraw/zinc/58/91/36/353589136.db2.gz MOWZMTUENHNZKD-NWDGAFQWSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193501817 353596840 /nfs/dbraw/zinc/59/68/40/353596840.db2.gz WPNMIOZTSSZVFS-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](N)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000195161360 353729923 /nfs/dbraw/zinc/72/99/23/353729923.db2.gz LKXQVZZCFGWZCB-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H](N)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000195161360 353729926 /nfs/dbraw/zinc/72/99/26/353729926.db2.gz LKXQVZZCFGWZCB-NEPJUHHUSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[NH+]1CCC(CNC(=O)[C@@H](C)N)CC1 ZINC000165865177 353755746 /nfs/dbraw/zinc/75/57/46/353755746.db2.gz YCUOKGUJRQZAJO-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO CC[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000343785224 353991321 /nfs/dbraw/zinc/99/13/21/353991321.db2.gz OGTIIMSJFAOPIC-GFCCVEGCSA-N 1 3 235.331 0.711 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)C1(N)CC1 ZINC000230712038 363321848 /nfs/dbraw/zinc/32/18/48/363321848.db2.gz PYODPSZBKUBGGO-UHFFFAOYSA-N 1 3 213.325 0.278 20 0 BCADHO CC[NH+]1CCC(NC(=O)[C@H](N)CC(C)C)CC1 ZINC000038098260 358484009 /nfs/dbraw/zinc/48/40/09/358484009.db2.gz OQSVKCBNHRRIFA-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CCN(CC)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680145 202001496 /nfs/dbraw/zinc/00/14/96/202001496.db2.gz GBTHEGHFTLTTRK-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCCN1 ZINC000449684337 202003019 /nfs/dbraw/zinc/00/30/19/202003019.db2.gz KOAYDVFDRSNVIQ-NWDGAFQWSA-N 1 3 239.363 0.777 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N(C)C ZINC000449723776 202008444 /nfs/dbraw/zinc/00/84/44/202008444.db2.gz MEJWKWBDAFGUBC-WOPDTQHZSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N(C)C ZINC000449723770 202008731 /nfs/dbraw/zinc/00/87/31/202008731.db2.gz MEJWKWBDAFGUBC-SDDRHHMPSA-N 1 3 241.379 0.816 20 0 BCADHO C[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCCN1 ZINC000449729485 202011981 /nfs/dbraw/zinc/01/19/81/202011981.db2.gz ZWIRIUISUWAGFX-GMXVVIOVSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)[NH+](C)C ZINC000344700167 354336429 /nfs/dbraw/zinc/33/64/29/354336429.db2.gz JGRYBLYOZRDGTI-SDDRHHMPSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(N)CCCCC1 ZINC000334621318 354358662 /nfs/dbraw/zinc/35/86/62/354358662.db2.gz SWXMXOXLBVCZBD-RKDXNWHRSA-N 1 3 213.325 0.500 20 0 BCADHO C[C@H](N)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000578014223 366179734 /nfs/dbraw/zinc/17/97/34/366179734.db2.gz DMAQLVMMTPLMSS-CMPLNLGQSA-N 1 3 235.331 0.930 20 0 BCADHO C[C@@H](CN1CCOCC1)N1CC[C@](C)(C[NH3+])C1 ZINC000578013525 366180402 /nfs/dbraw/zinc/18/04/02/366180402.db2.gz RJWSQKWNLQNJHU-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@](C)(CN)C1 ZINC000578013525 366180406 /nfs/dbraw/zinc/18/04/06/366180406.db2.gz RJWSQKWNLQNJHU-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO C[C@@H](CN1CCOCC1)[N@H+]1CC[C@](C)(CN)C1 ZINC000578013525 366180413 /nfs/dbraw/zinc/18/04/13/366180413.db2.gz RJWSQKWNLQNJHU-QWHCGFSZSA-N 1 3 241.379 0.378 20 0 BCADHO CCCN(C(=O)CNC1CC1)[C@@H]1CC[NH2+]C1 ZINC000178907764 366180619 /nfs/dbraw/zinc/18/06/19/366180619.db2.gz VBVLFZNZUFPYNK-LLVKDONJSA-N 1 3 225.336 0.339 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](N)CC(C)C)C1 ZINC000179026537 366199650 /nfs/dbraw/zinc/19/96/50/366199650.db2.gz QKPICYRWDAEWLV-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CN(C)C(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000345709070 354755722 /nfs/dbraw/zinc/75/57/22/354755722.db2.gz HUJXEBFYRMDHNN-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CN(C)C(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345709070 354755723 /nfs/dbraw/zinc/75/57/23/354755723.db2.gz HUJXEBFYRMDHNN-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141773 354871182 /nfs/dbraw/zinc/87/11/82/354871182.db2.gz RJYATBBAACWZIA-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750952 202020630 /nfs/dbraw/zinc/02/06/30/202020630.db2.gz KIDIEYJJHBGPEF-WYUUTHIRSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H]2C[C@@H](O)C2)[C@H](C)C1 ZINC000449750952 202020635 /nfs/dbraw/zinc/02/06/35/202020635.db2.gz KIDIEYJJHBGPEF-WYUUTHIRSA-N 1 3 212.337 0.830 20 0 BCADHO C[C@@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000235210691 363439892 /nfs/dbraw/zinc/43/98/92/363439892.db2.gz UBCYIKVOPLFOHC-SNVBAGLBSA-N 1 3 200.326 0.953 20 0 BCADHO Cn1nccc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000335231012 355074040 /nfs/dbraw/zinc/07/40/40/355074040.db2.gz QFZDJPPLHKJQHD-UHFFFAOYSA-N 1 3 234.347 0.996 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335217906 355056377 /nfs/dbraw/zinc/05/63/77/355056377.db2.gz NMUJAGYVLHOHOX-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO CN(C[C@@H]1CCCN1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000335217906 355056378 /nfs/dbraw/zinc/05/63/78/355056378.db2.gz NMUJAGYVLHOHOX-RYUDHWBXSA-N 1 3 239.363 0.491 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000335218908 355058158 /nfs/dbraw/zinc/05/81/58/355058158.db2.gz IUDKZJZOLCROLU-MRVPVSSYSA-N 1 3 219.288 0.618 20 0 BCADHO CC(C)(N)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000346957624 355168113 /nfs/dbraw/zinc/16/81/13/355168113.db2.gz CTSXKSGAPVFJBB-UHFFFAOYSA-N 1 3 227.352 0.701 20 0 BCADHO CN(C)C[C@H]1CN(CC2CC[NH2+]CC2)CCO1 ZINC000346842134 355134230 /nfs/dbraw/zinc/13/42/30/355134230.db2.gz WPCZKKNERTWWAR-ZDUSSCGKSA-N 1 3 241.379 0.248 20 0 BCADHO CC[C@H]1CN(CC(C)(C)[NH3+])CCN1C[C@@H](C)O ZINC000346844845 355135713 /nfs/dbraw/zinc/13/57/13/355135713.db2.gz LWQDZXSZQVDQOW-NEPJUHHUSA-N 1 3 243.395 0.501 20 0 BCADHO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCNC1 ZINC000346850251 355137461 /nfs/dbraw/zinc/13/74/61/355137461.db2.gz PUJYHNBPWYFGTG-VXGBXAGGSA-N 1 3 239.363 0.716 20 0 BCADHO NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]1CCCNC1 ZINC000346850251 355137464 /nfs/dbraw/zinc/13/74/64/355137464.db2.gz PUJYHNBPWYFGTG-VXGBXAGGSA-N 1 3 239.363 0.716 20 0 BCADHO NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1CCCNC1 ZINC000346850241 355137881 /nfs/dbraw/zinc/13/78/81/355137881.db2.gz PUJYHNBPWYFGTG-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1CCCNC1 ZINC000346850241 355137885 /nfs/dbraw/zinc/13/78/85/355137885.db2.gz PUJYHNBPWYFGTG-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO COCCOC[C@H]1CC[N@H+](CC(C)(C)N)C1 ZINC000346970823 355207698 /nfs/dbraw/zinc/20/76/98/355207698.db2.gz GGGUXUVCPDONRD-NSHDSACASA-N 1 3 230.352 0.709 20 0 BCADHO COCCOC[C@H]1CC[N@@H+](CC(C)(C)N)C1 ZINC000346970823 355207701 /nfs/dbraw/zinc/20/77/01/355207701.db2.gz GGGUXUVCPDONRD-NSHDSACASA-N 1 3 230.352 0.709 20 0 BCADHO NC(=O)C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000347002294 355200832 /nfs/dbraw/zinc/20/08/32/355200832.db2.gz ITEJVSYYUJIXGT-NWDGAFQWSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1 ZINC000347002294 355200833 /nfs/dbraw/zinc/20/08/33/355200833.db2.gz ITEJVSYYUJIXGT-NWDGAFQWSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1 ZINC000347002294 355200834 /nfs/dbraw/zinc/20/08/34/355200834.db2.gz ITEJVSYYUJIXGT-NWDGAFQWSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000347685309 355269401 /nfs/dbraw/zinc/26/94/01/355269401.db2.gz LCBCJRUMEVTCLL-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C)CC[C@@H]1C ZINC000335288091 355258175 /nfs/dbraw/zinc/25/81/75/355258175.db2.gz LAGCQBROKFVYKJ-MNOVXSKESA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C)CC[C@H]1C ZINC000335288090 355258236 /nfs/dbraw/zinc/25/82/36/355258236.db2.gz LAGCQBROKFVYKJ-GHMZBOCLSA-N 1 3 242.367 0.459 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)N(C)C ZINC000432510985 491077693 /nfs/dbraw/zinc/07/76/93/491077693.db2.gz BNSAPEQLJIOMHQ-SDDRHHMPSA-N 1 3 241.379 0.687 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000335829773 355555123 /nfs/dbraw/zinc/55/51/23/355555123.db2.gz YBYMKCJSSUEWAP-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCNCC1 ZINC000336005286 134048929 /nfs/dbraw/zinc/04/89/29/134048929.db2.gz NFTGNPLVSHYGKK-QWRGUYRKSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000336036094 134060038 /nfs/dbraw/zinc/06/00/38/134060038.db2.gz CKNOLKRYKWPDRH-GXSJLCMTSA-N 1 3 225.336 0.324 20 0 BCADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(N)CC1 ZINC000167322065 355991037 /nfs/dbraw/zinc/99/10/37/355991037.db2.gz CBBGEVOFXZLBPX-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CC[N@H+]1CCCC[C@H]1CNC(=O)C1(N)CC1 ZINC000167322065 355991041 /nfs/dbraw/zinc/99/10/41/355991041.db2.gz CBBGEVOFXZLBPX-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417803860 191930189 /nfs/dbraw/zinc/93/01/89/191930189.db2.gz FWKMIQRDSJOZQG-BBBLOLIVSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@@H](C(=O)N(C)CC[NH3+])[C@@H](N)c1ccccc1 ZINC000417825329 191931821 /nfs/dbraw/zinc/93/18/21/191931821.db2.gz BBDFHLIMLSJPTD-ZYHUDNBSSA-N 1 3 235.331 0.740 20 0 BCADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)CN(C)C ZINC000418203806 191995670 /nfs/dbraw/zinc/99/56/70/191995670.db2.gz KQAMLLGCMHOSPE-WDEREUQCSA-N 1 3 244.383 0.609 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000351746864 356079144 /nfs/dbraw/zinc/07/91/44/356079144.db2.gz HWMLFGWYIYLFQT-QJPTWQEYSA-N 1 3 241.379 0.768 20 0 BCADHO C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000351807791 356088731 /nfs/dbraw/zinc/08/87/31/356088731.db2.gz HYFINKDLXNBLTO-UTUOFQBUSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1O ZINC000351807791 356088735 /nfs/dbraw/zinc/08/87/35/356088735.db2.gz HYFINKDLXNBLTO-UTUOFQBUSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)N(C)C ZINC000418246351 192004491 /nfs/dbraw/zinc/00/44/91/192004491.db2.gz CGEDSOGUOFVBMT-OUAUKWLOSA-N 1 3 242.367 0.234 20 0 BCADHO C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)N(C)C ZINC000418246344 192004583 /nfs/dbraw/zinc/00/45/83/192004583.db2.gz CGEDSOGUOFVBMT-DCAQKATOSA-N 1 3 242.367 0.234 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C)N(C)C ZINC000418257286 192005593 /nfs/dbraw/zinc/00/55/93/192005593.db2.gz MVXGLJISWMJPCE-WDEREUQCSA-N 1 3 244.383 0.753 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](C)N(C)C ZINC000418264428 192009037 /nfs/dbraw/zinc/00/90/37/192009037.db2.gz SNBQTMDSBCIXKO-ZJUUUORDSA-N 1 3 230.356 0.234 20 0 BCADHO C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000418270919 192010098 /nfs/dbraw/zinc/01/00/98/192010098.db2.gz ZNDJPDRCMGIGDS-JTQLQIEISA-N 1 3 244.383 0.563 20 0 BCADHO C[NH2+]CCCNC(=O)NC(C)(C)CN(C)C ZINC000418282190 192013843 /nfs/dbraw/zinc/01/38/43/192013843.db2.gz XDIJNAOHVDINRV-UHFFFAOYSA-N 1 3 230.356 0.235 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000336103576 134084085 /nfs/dbraw/zinc/08/40/85/134084085.db2.gz KQTYALODUYBDFA-QWRGUYRKSA-N 1 3 239.363 0.762 20 0 BCADHO CCN(C)C(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000420298638 192204353 /nfs/dbraw/zinc/20/43/53/192204353.db2.gz FMSJAYIBMDBXPV-GFCCVEGCSA-N 1 3 229.368 0.818 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420299641 192206149 /nfs/dbraw/zinc/20/61/49/192206149.db2.gz BDTDYRDENMTVOI-SRVKXCTJSA-N 1 3 240.347 0.999 20 0 BCADHO C[NH2+]CCC1CCN([C@@H](C)C(N)=O)CC1 ZINC000069730637 491089559 /nfs/dbraw/zinc/08/95/59/491089559.db2.gz BIARQOXOYNUHEH-VIFPVBQESA-N 1 3 213.325 0.182 20 0 BCADHO CCN(CCC(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420302820 192207041 /nfs/dbraw/zinc/20/70/41/192207041.db2.gz CBVSEJQHCOKSQB-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[N@H+](CCC(=O)N(C)C)[C@@H]1CCCNCC1 ZINC000420302820 192207043 /nfs/dbraw/zinc/20/70/43/192207043.db2.gz CBVSEJQHCOKSQB-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CC[N@@H+](CCC(=O)N(C)C)[C@@H]1CCCNCC1 ZINC000420302820 192207044 /nfs/dbraw/zinc/20/70/44/192207044.db2.gz CBVSEJQHCOKSQB-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCOC(=O)CCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420303969 192206673 /nfs/dbraw/zinc/20/66/73/192206673.db2.gz IDXRSKFLKVBMLJ-AXFHLTTASA-N 1 3 226.320 0.609 20 0 BCADHO CCOC(=O)CCN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420316554 192213273 /nfs/dbraw/zinc/21/32/73/192213273.db2.gz YIYXZQIANOSCJS-VHSXEESVSA-N 1 3 214.309 0.609 20 0 BCADHO CC(C)[C@H]1C(=O)NCCN1CC[C@H]1CC[NH2+]C1 ZINC000420307583 192209804 /nfs/dbraw/zinc/20/98/04/192209804.db2.gz RLSDGOVOUSEVFN-NEPJUHHUSA-N 1 3 239.363 0.442 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NCCN1CCOCC1 ZINC000420367540 192225793 /nfs/dbraw/zinc/22/57/93/192225793.db2.gz SUBCCBHICCNSMG-NSHDSACASA-N 1 3 229.368 0.282 20 0 BCADHO CCNC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420329519 192230219 /nfs/dbraw/zinc/23/02/19/192230219.db2.gz OMOGCSYQJDKUAY-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO COCCCN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420365668 192224635 /nfs/dbraw/zinc/22/46/35/192224635.db2.gz LKIHDHNCILUKQU-GARJFASQSA-N 1 3 200.326 0.999 20 0 BCADHO CN1CC[C@H](NCC[NH3+])[C@@H]1c1ccccc1 ZINC000420408709 192239131 /nfs/dbraw/zinc/23/91/31/192239131.db2.gz PSJHXUWBUSXPBR-STQMWFEESA-N 1 3 219.332 0.980 20 0 BCADHO CN1CC[C@H]([NH2+]CCN)[C@@H]1c1ccccc1 ZINC000420408709 192239133 /nfs/dbraw/zinc/23/91/33/192239133.db2.gz PSJHXUWBUSXPBR-STQMWFEESA-N 1 3 219.332 0.980 20 0 BCADHO CCN(C)C(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420419826 192240933 /nfs/dbraw/zinc/24/09/33/192240933.db2.gz XUOIFFHXSALCEW-VXGBXAGGSA-N 1 3 241.379 0.772 20 0 BCADHO CCC(CC)(CNCC[NH3+])C(=O)OC ZINC000420380354 192232799 /nfs/dbraw/zinc/23/27/99/192232799.db2.gz WGCDCFSGHLXOEA-UHFFFAOYSA-N 1 3 202.298 0.514 20 0 BCADHO NC(=O)[C@H]1CCCCN1CCC1CC[NH2+]CC1 ZINC000134490422 181279131 /nfs/dbraw/zinc/27/91/31/181279131.db2.gz HFQBVJPQYZGVSC-GFCCVEGCSA-N 1 3 239.363 0.716 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000335720514 535316516 /nfs/dbraw/zinc/31/65/16/535316516.db2.gz XGFYHMPOYAITNJ-AAEUAGOBSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](NC[C@H](O)CN(C)C)[C@H]1CCCC[NH2+]1 ZINC000422973250 192532533 /nfs/dbraw/zinc/53/25/33/192532533.db2.gz BONYSBUMJWHZMV-SDDRHHMPSA-N 1 3 229.368 0.029 20 0 BCADHO CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000423018838 192542191 /nfs/dbraw/zinc/54/21/91/192542191.db2.gz ZXVAHTOFTHOIAT-NWDGAFQWSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000378663277 356637745 /nfs/dbraw/zinc/63/77/45/356637745.db2.gz BAMSRKHHMIHYNE-OPRDCNLKSA-N 1 3 213.325 0.215 20 0 BCADHO COC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000167607440 134152769 /nfs/dbraw/zinc/15/27/69/134152769.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000167607440 134152770 /nfs/dbraw/zinc/15/27/70/134152770.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000167607440 134152771 /nfs/dbraw/zinc/15/27/71/134152771.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 1 3 242.363 0.410 20 0 BCADHO COC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000167607440 134152772 /nfs/dbraw/zinc/15/27/72/134152772.db2.gz ARZUJHBUGDKXMT-AVGNSLFASA-N 1 3 242.363 0.410 20 0 BCADHO C[NH+]1CCC2(CCN([C@@H]3CCNC3=O)C2)CC1 ZINC000639757696 356664317 /nfs/dbraw/zinc/66/43/17/356664317.db2.gz OONBLVLJOVJVGH-LLVKDONJSA-N 1 3 237.347 0.293 20 0 BCADHO CN(CCC[NH3+])C(=O)NC[C@@H]1CCCN1C ZINC000627226161 363553378 /nfs/dbraw/zinc/55/33/78/363553378.db2.gz GMIUDSDISVEHLY-JTQLQIEISA-N 1 3 228.340 0.071 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000582248203 356679891 /nfs/dbraw/zinc/67/98/91/356679891.db2.gz OYOJCKPYTWWGAL-GHMZBOCLSA-N 1 3 240.351 0.117 20 0 BCADHO C[NH+](C)C[C@]1(O)CCCN(CCC(C)(C)O)C1 ZINC000639763302 356688604 /nfs/dbraw/zinc/68/86/04/356688604.db2.gz PZLBJJOBJRSWEP-CYBMUJFWSA-N 1 3 244.379 0.536 20 0 BCADHO C[C@@H](O)CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764017 356690202 /nfs/dbraw/zinc/69/02/02/356690202.db2.gz SEDUNWUFCVMQAY-NEPJUHHUSA-N 1 3 230.352 0.146 20 0 BCADHO CCN(CCO)[C@H](C)CC[N@H+](CC)CCO ZINC000155753037 538730672 /nfs/dbraw/zinc/73/06/72/538730672.db2.gz CJMXCRFMRCNAHF-GFCCVEGCSA-N 1 3 232.368 0.393 20 0 BCADHO CCN(CCO)[C@H](C)CC[N@@H+](CC)CCO ZINC000155753037 538730677 /nfs/dbraw/zinc/73/06/77/538730677.db2.gz CJMXCRFMRCNAHF-GFCCVEGCSA-N 1 3 232.368 0.393 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679578 358512899 /nfs/dbraw/zinc/51/28/99/358512899.db2.gz JXLLGZBFHVEUFR-GHMZBOCLSA-N 1 3 229.368 0.818 20 0 BCADHO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000390407005 357097551 /nfs/dbraw/zinc/09/75/51/357097551.db2.gz VJQPYYAWIWLIMN-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000390406365 357097739 /nfs/dbraw/zinc/09/77/39/357097739.db2.gz BNMYPXDTMWHSKE-AEJSXWLSSA-N 1 3 213.325 0.357 20 0 BCADHO CCCC[C@@H](C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000377150267 357226337 /nfs/dbraw/zinc/22/63/37/357226337.db2.gz FGHSMFNHYRMHOO-ONGXEEELSA-N 1 3 231.315 0.322 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@H](CO)C(C)(C)C ZINC000393983660 357313576 /nfs/dbraw/zinc/31/35/76/357313576.db2.gz VFMIMIPPFWPKEC-GHMZBOCLSA-N 1 3 232.368 0.296 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@H](CO)C(C)(C)C ZINC000393983660 357313581 /nfs/dbraw/zinc/31/35/81/357313581.db2.gz VFMIMIPPFWPKEC-GHMZBOCLSA-N 1 3 232.368 0.296 20 0 BCADHO CCOC[C@H]1CCN(C[C@](C)(O)C[NH2+]C)C1 ZINC000582490292 357319336 /nfs/dbraw/zinc/31/93/36/357319336.db2.gz ACPHNMAPTHDRNC-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@H]1CC[N@H+](C[C@](C)(O)CNC)C1 ZINC000582490292 357319339 /nfs/dbraw/zinc/31/93/39/357319339.db2.gz ACPHNMAPTHDRNC-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CCOC[C@H]1CC[N@@H+](C[C@](C)(O)CNC)C1 ZINC000582490292 357319342 /nfs/dbraw/zinc/31/93/42/357319342.db2.gz ACPHNMAPTHDRNC-NWDGAFQWSA-N 1 3 230.352 0.315 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000582492914 357320601 /nfs/dbraw/zinc/32/06/01/357320601.db2.gz UWSHWPSCPGOREM-AXFHLTTASA-N 1 3 225.336 0.276 20 0 BCADHO C[NH2+]CCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000582784105 357392325 /nfs/dbraw/zinc/39/23/25/357392325.db2.gz GCAZPBCYSAQUPB-LLVKDONJSA-N 1 3 239.294 0.204 20 0 BCADHO [NH3+]CCCC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000582784221 357392413 /nfs/dbraw/zinc/39/24/13/357392413.db2.gz NZFGTSMSRILVMX-UHFFFAOYSA-N 1 3 249.314 0.846 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)[C@H]1CNCc2ccccc21 ZINC000582903597 357427159 /nfs/dbraw/zinc/42/71/59/357427159.db2.gz ATPXMFZHMZLTJH-GWCFXTLKSA-N 1 3 247.342 0.727 20 0 BCADHO CC(C)(C)[NH2+]CCNC(=O)[C@@H](N)C1CCC1 ZINC000582961746 357439531 /nfs/dbraw/zinc/43/95/31/357439531.db2.gz BIROMEISTZDHCB-JTQLQIEISA-N 1 3 227.352 0.618 20 0 BCADHO Cc1cnccc1CN1CCC(O)(C[NH3+])CC1 ZINC000397056023 357492073 /nfs/dbraw/zinc/49/20/73/357492073.db2.gz MSLHPKALLPISNY-UHFFFAOYSA-N 1 3 235.331 0.676 20 0 BCADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCCN1 ZINC000230711013 357572931 /nfs/dbraw/zinc/57/29/31/357572931.db2.gz YGWLNYYTXMNRBJ-LBPRGKRZSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)N ZINC000230712551 357573416 /nfs/dbraw/zinc/57/34/16/357573416.db2.gz SZUBTQMDMBXVEA-NSHDSACASA-N 1 3 229.368 0.914 20 0 BCADHO CCC[N@H+](CC)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188784935 357574000 /nfs/dbraw/zinc/57/40/00/357574000.db2.gz OJCWIEVVYYFPBF-WDEREUQCSA-N 1 3 245.342 0.535 20 0 BCADHO CCC[N@@H+](CC)CCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000188784935 357574004 /nfs/dbraw/zinc/57/40/04/357574004.db2.gz OJCWIEVVYYFPBF-WDEREUQCSA-N 1 3 245.342 0.535 20 0 BCADHO C[N@H+](C[C@@H](O)CNCC1=CCOCC1)C1CC1 ZINC000397682836 357621712 /nfs/dbraw/zinc/62/17/12/357621712.db2.gz UVNHWGZHBXGFHD-ZDUSSCGKSA-N 1 3 240.347 0.378 20 0 BCADHO C[N@@H+](C[C@@H](O)CNCC1=CCOCC1)C1CC1 ZINC000397682836 357621715 /nfs/dbraw/zinc/62/17/15/357621715.db2.gz UVNHWGZHBXGFHD-ZDUSSCGKSA-N 1 3 240.347 0.378 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000397552043 357596958 /nfs/dbraw/zinc/59/69/58/357596958.db2.gz XFZRCEZIDKPEEK-NSHDSACASA-N 1 3 242.363 0.600 20 0 BCADHO Cn1cncc1CNCCOCC[NH+](C)C ZINC000231675729 357618354 /nfs/dbraw/zinc/61/83/54/357618354.db2.gz OQRFSZROWYXPRI-UHFFFAOYSA-N 1 3 226.324 0.088 20 0 BCADHO C[C@H]1C[C@@H]([NH2+]CC2(O)CCN(C)CC2)CS1 ZINC000397584208 363588282 /nfs/dbraw/zinc/58/82/82/363588282.db2.gz GOBBRWRHISNXAM-WDEREUQCSA-N 1 3 244.404 0.927 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415171 357763047 /nfs/dbraw/zinc/76/30/47/357763047.db2.gz BICUMAJUPILOCN-WCQYABFASA-N 1 3 244.379 0.846 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415171 357763049 /nfs/dbraw/zinc/76/30/49/357763049.db2.gz BICUMAJUPILOCN-WCQYABFASA-N 1 3 244.379 0.846 20 0 BCADHO COC[C@@](C)(O)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623415172 357763389 /nfs/dbraw/zinc/76/33/89/357763389.db2.gz BICUMAJUPILOCN-YPMHNXCESA-N 1 3 244.379 0.846 20 0 BCADHO COC[C@@](C)(O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623415172 357763393 /nfs/dbraw/zinc/76/33/93/357763393.db2.gz BICUMAJUPILOCN-YPMHNXCESA-N 1 3 244.379 0.846 20 0 BCADHO CC[N@H+](C)C[C@H](O)CN[C@@H]1CSC[C@H]1C ZINC000397956235 357812624 /nfs/dbraw/zinc/81/26/24/357812624.db2.gz FGQFRJRXORRKJE-GMTAPVOTSA-N 1 3 232.393 0.640 20 0 BCADHO CC[N@@H+](C)C[C@H](O)CN[C@@H]1CSC[C@H]1C ZINC000397956235 357812628 /nfs/dbraw/zinc/81/26/28/357812628.db2.gz FGQFRJRXORRKJE-GMTAPVOTSA-N 1 3 232.393 0.640 20 0 BCADHO NC1(C(=O)N2CC3CCC2(C[NH3+])CC3)CC1 ZINC000584477144 357995041 /nfs/dbraw/zinc/99/50/41/357995041.db2.gz MWNJCWHKGDPOIN-UHFFFAOYSA-N 1 3 223.320 0.208 20 0 BCADHO C[C@H]1C[C@@H]1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211794 358013214 /nfs/dbraw/zinc/01/32/14/358013214.db2.gz ZFXMCWKMKBOGJH-RYUDHWBXSA-N 1 3 241.379 0.594 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN(C)C ZINC000037480046 358071861 /nfs/dbraw/zinc/07/18/61/358071861.db2.gz XIDXQCZSGYWYEE-UHFFFAOYSA-N 1 3 201.314 0.052 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000037609488 358083311 /nfs/dbraw/zinc/08/33/11/358083311.db2.gz WODMKDYOSDZPBF-RYUDHWBXSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000037609488 358083315 /nfs/dbraw/zinc/08/33/15/358083315.db2.gz WODMKDYOSDZPBF-RYUDHWBXSA-N 1 3 237.347 0.481 20 0 BCADHO O=C(CNC1CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649674 358084947 /nfs/dbraw/zinc/08/49/47/358084947.db2.gz BPPPJKGCDSUQHM-SNVBAGLBSA-N 1 3 237.347 0.339 20 0 BCADHO O=C(CNC1CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000037649674 358084949 /nfs/dbraw/zinc/08/49/49/358084949.db2.gz BPPPJKGCDSUQHM-SNVBAGLBSA-N 1 3 237.347 0.339 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000584589392 358103221 /nfs/dbraw/zinc/10/32/21/358103221.db2.gz OZIKXNINCXGXHA-GXSJLCMTSA-N 1 3 225.336 0.182 20 0 BCADHO COC[C@](C)(O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000584665369 358126831 /nfs/dbraw/zinc/12/68/31/358126831.db2.gz KCXVPOPUVSSQFP-GRYCIOLGSA-N 1 3 230.352 0.633 20 0 BCADHO COC[C@](C)(O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000584665369 358126835 /nfs/dbraw/zinc/12/68/35/358126835.db2.gz KCXVPOPUVSSQFP-GRYCIOLGSA-N 1 3 230.352 0.633 20 0 BCADHO [NH3+]C1(CC(=O)N[C@H]2CCN(C3CC3)C2)CCC1 ZINC000094295252 487527729 /nfs/dbraw/zinc/52/77/29/487527729.db2.gz ZOMMHFKUKUVEOP-JTQLQIEISA-N 1 3 237.347 0.611 20 0 BCADHO CC(C)(C)[NH2+]CCN1CCNC[C@H]1C(F)F ZINC000584782897 358176867 /nfs/dbraw/zinc/17/68/67/358176867.db2.gz WEIPQRSOFNQMFI-VIFPVBQESA-N 1 3 235.322 0.913 20 0 BCADHO CC[NH+](CC)CCCCNC(=O)CNC1CC1 ZINC000584722809 358158705 /nfs/dbraw/zinc/15/87/05/358158705.db2.gz RIJGSNIEAXHWFA-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO C[C@H](CN1CCOCC1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000222928410 358216125 /nfs/dbraw/zinc/21/61/25/358216125.db2.gz VTAOTEQWIJLMCJ-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO C[C@H](CN1CCOCC1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000222928410 358216128 /nfs/dbraw/zinc/21/61/28/358216128.db2.gz VTAOTEQWIJLMCJ-UPJWGTAASA-N 1 3 241.379 0.567 20 0 BCADHO CC[C@@H](C(N)=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000224293992 358232402 /nfs/dbraw/zinc/23/24/02/358232402.db2.gz QIDNCFGJJNAGML-UWVGGRQHSA-N 1 3 213.325 0.311 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000040601622 358243699 /nfs/dbraw/zinc/24/36/99/358243699.db2.gz OAFWLECCLFEVPE-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO C[NH2+]CCCC(=O)NCCN1CCCCCC1 ZINC000040768304 358245825 /nfs/dbraw/zinc/24/58/25/358245825.db2.gz OWDQFUNUIWIMIH-UHFFFAOYSA-N 1 3 241.379 0.978 20 0 BCADHO [NH3+]CCC(=O)NCCN1CCCCCC1 ZINC000040768226 358245897 /nfs/dbraw/zinc/24/58/97/358245897.db2.gz GCCCAHZJIHWKIC-UHFFFAOYSA-N 1 3 213.325 0.327 20 0 BCADHO CC(C)C[C@H](CNC(=O)CNC1CC1)[NH+](C)C ZINC000040831338 358246781 /nfs/dbraw/zinc/24/67/81/358246781.db2.gz BXTJGHLXQDRHTH-GFCCVEGCSA-N 1 3 241.379 0.831 20 0 BCADHO CN1CCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000226082824 358333719 /nfs/dbraw/zinc/33/37/19/358333719.db2.gz FILIGPTXBGHKEA-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000041680324 358333728 /nfs/dbraw/zinc/33/37/28/358333728.db2.gz CIYQNSCQFNFITB-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000041680237 358334174 /nfs/dbraw/zinc/33/41/74/358334174.db2.gz OMIDFSDOUPBIIU-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO c1cn(CCCN[C@@H]2CCC[NH2+]C2)cn1 ZINC000043325256 358373287 /nfs/dbraw/zinc/37/32/87/358373287.db2.gz UEIVADUFGWFGAO-LLVKDONJSA-N 1 3 208.309 0.615 20 0 BCADHO C[C@H](O)[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000227476326 358358725 /nfs/dbraw/zinc/35/87/25/358358725.db2.gz GFLRQQJNUKWSEM-YFKTTZPYSA-N 1 3 212.337 0.972 20 0 BCADHO C[C@H](O)[C@H](C)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227476326 358358729 /nfs/dbraw/zinc/35/87/29/358358729.db2.gz GFLRQQJNUKWSEM-YFKTTZPYSA-N 1 3 212.337 0.972 20 0 BCADHO CC[C@@H](N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044526676 358389856 /nfs/dbraw/zinc/38/98/56/358389856.db2.gz IEOBGHRYOZMTSU-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC[NH+]1CCC(NCCOCCOC)CC1 ZINC000044693436 358551936 /nfs/dbraw/zinc/55/19/36/358551936.db2.gz CWPARYMHAWHPDX-UHFFFAOYSA-N 1 3 230.352 0.723 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000044794812 358553852 /nfs/dbraw/zinc/55/38/52/358553852.db2.gz YNAYMAZDMGLJSQ-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO CCOC[C@H](C)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000130647933 358638724 /nfs/dbraw/zinc/63/87/24/358638724.db2.gz QTUFZHMCGZZYGY-YNEHKIRRSA-N 1 3 242.363 0.864 20 0 BCADHO CCOC[C@H](C)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000130647933 358638726 /nfs/dbraw/zinc/63/87/26/358638726.db2.gz QTUFZHMCGZZYGY-YNEHKIRRSA-N 1 3 242.363 0.864 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000130864036 358650927 /nfs/dbraw/zinc/65/09/27/358650927.db2.gz GKGTVZTYFKPGBH-TUAOUCFPSA-N 1 3 240.347 0.999 20 0 BCADHO [NH3+]C1(CNC(=O)[C@@H]2CCCCN2)CCCCC1 ZINC000131517628 358680720 /nfs/dbraw/zinc/68/07/20/358680720.db2.gz WZVMSYLWBIOEJP-NSHDSACASA-N 1 3 239.363 0.906 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000049559668 358694801 /nfs/dbraw/zinc/69/48/01/358694801.db2.gz RJCWQZRYXUGVFG-MNOVXSKESA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CCCC[NH3+] ZINC000309456058 358708569 /nfs/dbraw/zinc/70/85/69/358708569.db2.gz NSNFBNFADZMLJX-VHSXEESVSA-N 1 3 213.325 0.324 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000134809076 358806930 /nfs/dbraw/zinc/80/69/30/358806930.db2.gz HXWDTMBLRKGART-XQHKEYJVSA-N 1 3 224.348 0.853 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1C=C[C@H](CO)C1 ZINC000134809076 358806933 /nfs/dbraw/zinc/80/69/33/358806933.db2.gz HXWDTMBLRKGART-XQHKEYJVSA-N 1 3 224.348 0.853 20 0 BCADHO CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC000564083623 358849982 /nfs/dbraw/zinc/84/99/82/358849982.db2.gz YCUHHACSGUTEOU-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO COC[C@@H](O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057309 134297328 /nfs/dbraw/zinc/29/73/28/134297328.db2.gz VQLCFBYGTNJVSP-WOPDTQHZSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@@H](O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177057309 134297329 /nfs/dbraw/zinc/29/73/29/134297329.db2.gz VQLCFBYGTNJVSP-WOPDTQHZSA-N 1 3 230.352 0.408 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC000423308049 192696726 /nfs/dbraw/zinc/69/67/26/192696726.db2.gz XENIDKKPRFSLPM-GVXVVHGQSA-N 1 3 223.364 0.811 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H]2COCCO2)C1 ZINC000086403392 358967733 /nfs/dbraw/zinc/96/77/33/358967733.db2.gz DFMHFBDWEYJUOK-OUAUKWLOSA-N 1 3 214.309 0.261 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000059930888 358921370 /nfs/dbraw/zinc/92/13/70/358921370.db2.gz RKMVJNPNUJUNJM-GHMZBOCLSA-N 1 3 227.352 0.572 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000252611335 359314766 /nfs/dbraw/zinc/31/47/66/359314766.db2.gz VLEHGQDIBFRTEJ-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO CCC[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000423533451 192804358 /nfs/dbraw/zinc/80/43/58/192804358.db2.gz TWVCKFWBQAYVFM-QJPTWQEYSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@@H](NC[C@H]1CNCCN1C)[C@@H]1CCC[NH2+]1 ZINC000423498724 192794798 /nfs/dbraw/zinc/79/47/98/192794798.db2.gz BXBFWCFXCVFDBZ-UPJWGTAASA-N 1 3 240.395 0.010 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N2CCN[C@@H](C)[C@@H]2C)CC[NH2+]1 ZINC000572406368 359490109 /nfs/dbraw/zinc/49/01/09/359490109.db2.gz QRZKJSNZGTXCHX-BJDJZHNGSA-N 1 3 239.363 0.583 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])[C@@H]1C)N(C)C ZINC000423656291 192820013 /nfs/dbraw/zinc/82/00/13/192820013.db2.gz WLLPFVALYMUTSL-HBNTYKKESA-N 1 3 227.352 0.521 20 0 BCADHO C[C@@H](O)[C@H](C)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000580431573 359542849 /nfs/dbraw/zinc/54/28/49/359542849.db2.gz REEUTEJLPKBRKU-YNEHKIRRSA-N 1 3 244.379 0.438 20 0 BCADHO C[C@@H](O)CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000309075727 491144109 /nfs/dbraw/zinc/14/41/09/491144109.db2.gz KFNZBTPDCRCACF-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H](O)CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309075727 491144110 /nfs/dbraw/zinc/14/41/10/491144110.db2.gz KFNZBTPDCRCACF-UTUOFQBUSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCCN1 ZINC000578444059 366569251 /nfs/dbraw/zinc/56/92/51/366569251.db2.gz KEBSYUXPBKEIFC-GARJFASQSA-N 1 3 225.336 0.243 20 0 BCADHO N[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000578507581 366582470 /nfs/dbraw/zinc/58/24/70/366582470.db2.gz WGZRMWBMYVLHFJ-BZPMIXESSA-N 1 3 245.326 0.555 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2)CC[NH2+]1 ZINC000578534952 366593296 /nfs/dbraw/zinc/59/32/96/366593296.db2.gz YGLIDZXBQLIJKX-GARJFASQSA-N 1 3 225.336 0.385 20 0 BCADHO NC1(C(=O)NCc2ccc(C[NH3+])cc2)CCC1 ZINC000578654077 366620760 /nfs/dbraw/zinc/62/07/60/366620760.db2.gz RXFJMTVMIKEQRK-UHFFFAOYSA-N 1 3 233.315 0.643 20 0 BCADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000087526195 359916731 /nfs/dbraw/zinc/91/67/31/359916731.db2.gz JVHKYINWXHRIJD-VXGBXAGGSA-N 1 3 239.363 0.524 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000578869827 366662146 /nfs/dbraw/zinc/66/21/46/366662146.db2.gz DRHOVVLZKQJHAN-JXUBOQSCSA-N 1 3 213.325 0.165 20 0 BCADHO CN1CCC[C@H]1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612875059 360135345 /nfs/dbraw/zinc/13/53/45/360135345.db2.gz BWHGQQDWAIHYRG-JQWIXIFHSA-N 1 3 240.351 0.132 20 0 BCADHO C[N@@H+]1CC[C@H](NC[C@]2(O)CCOC2)CC1(C)C ZINC000623472947 360197350 /nfs/dbraw/zinc/19/73/50/360197350.db2.gz CGGIZKBNQPCTOX-WCQYABFASA-N 1 3 242.363 0.600 20 0 BCADHO C[N@H+]1CC[C@H](NC[C@]2(O)CCOC2)CC1(C)C ZINC000623472947 360197357 /nfs/dbraw/zinc/19/73/57/360197357.db2.gz CGGIZKBNQPCTOX-WCQYABFASA-N 1 3 242.363 0.600 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCCN(C)C1 ZINC000626945045 360525326 /nfs/dbraw/zinc/52/53/26/360525326.db2.gz DTIBUZLWUWTFSK-GARJFASQSA-N 1 3 240.351 0.130 20 0 BCADHO CC(C)N1CCC([NH2+]C[C@@H](O)CN(C)C)CC1 ZINC000154378139 360796537 /nfs/dbraw/zinc/79/65/37/360796537.db2.gz QYCDQKRZEUFWER-CYBMUJFWSA-N 1 3 243.395 0.371 20 0 BCADHO CC[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000155822882 360925537 /nfs/dbraw/zinc/92/55/37/360925537.db2.gz NTRFOANFQOITMM-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@H](CO)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000155822882 360925543 /nfs/dbraw/zinc/92/55/43/360925543.db2.gz NTRFOANFQOITMM-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1N[C@@H]1CC[NH2+][C@H]1C ZINC000629407437 361056317 /nfs/dbraw/zinc/05/63/17/361056317.db2.gz ACXDNYALSGTKEW-YRRQLQLVSA-N 1 3 223.364 0.809 20 0 BCADHO Cc1ncccc1CNCCOCCC[NH3+] ZINC000629398535 361048846 /nfs/dbraw/zinc/04/88/46/361048846.db2.gz DXEFFAQWQNSRSQ-UHFFFAOYSA-N 1 3 223.320 0.845 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(C)CC1 ZINC000629404861 361054843 /nfs/dbraw/zinc/05/48/43/361054843.db2.gz RQGZXYVHIFVSQW-NWDGAFQWSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCOCC1 ZINC000629519620 361119945 /nfs/dbraw/zinc/11/99/45/361119945.db2.gz BXUDCDYUNCZCMY-GHMZBOCLSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NCC1([NH3+])CCOCC1 ZINC000629519620 361119948 /nfs/dbraw/zinc/11/99/48/361119948.db2.gz BXUDCDYUNCZCMY-GHMZBOCLSA-N 1 3 227.352 0.034 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[C@H]1COCCN1 ZINC000629528049 361135648 /nfs/dbraw/zinc/13/56/48/361135648.db2.gz NNTILMXEHDCAKW-MROQNXINSA-N 1 3 241.379 0.484 20 0 BCADHO CCN(CCCO)C[C@H]1CCC[NH2+]C1 ZINC000158596653 361204809 /nfs/dbraw/zinc/20/48/09/361204809.db2.gz XKRCZFRTHQKKEC-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO CC[N@H+](CCCO)C[C@H]1CCCNC1 ZINC000158596653 361204813 /nfs/dbraw/zinc/20/48/13/361204813.db2.gz XKRCZFRTHQKKEC-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO CC[N@@H+](CCCO)C[C@H]1CCCNC1 ZINC000158596653 361204818 /nfs/dbraw/zinc/20/48/18/361204818.db2.gz XKRCZFRTHQKKEC-NSHDSACASA-N 1 3 200.326 0.690 20 0 BCADHO CCN(CCCO)C[C@@H]1CCC[NH2+]C1 ZINC000158596509 361204951 /nfs/dbraw/zinc/20/49/51/361204951.db2.gz XKRCZFRTHQKKEC-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO CC[N@H+](CCCO)C[C@@H]1CCCNC1 ZINC000158596509 361204955 /nfs/dbraw/zinc/20/49/55/361204955.db2.gz XKRCZFRTHQKKEC-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO CC[N@@H+](CCCO)C[C@@H]1CCCNC1 ZINC000158596509 361204959 /nfs/dbraw/zinc/20/49/59/361204959.db2.gz XKRCZFRTHQKKEC-LLVKDONJSA-N 1 3 200.326 0.690 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000428195257 201001765 /nfs/dbraw/zinc/00/17/65/201001765.db2.gz HNJAUJLZAJBEEV-MXWKQRLJSA-N 1 3 225.336 0.337 20 0 BCADHO [NH3+]C1(C(=O)N[C@H]2CCN(C3CC3)C2)CCCC1 ZINC000044726844 181328917 /nfs/dbraw/zinc/32/89/17/181328917.db2.gz NPWJVJBQXIVNHV-JTQLQIEISA-N 1 3 237.347 0.611 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000579228962 366739219 /nfs/dbraw/zinc/73/92/19/366739219.db2.gz SELHMWKVYDOOCH-PRJMDXOYSA-N 1 3 235.278 0.083 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000622044922 370673987 /nfs/dbraw/zinc/67/39/87/370673987.db2.gz XXCZAWVZCTUSIH-WCABBAIRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](NCC1(CO)CCCC1)C1C[NH2+]C1 ZINC000622044082 370675848 /nfs/dbraw/zinc/67/58/48/370675848.db2.gz UKPURZISGKZGSG-JTQLQIEISA-N 1 3 212.337 0.737 20 0 BCADHO C[C@H]([NH2+]CC1(CO)CCCC1)C1CNC1 ZINC000622044082 370675851 /nfs/dbraw/zinc/67/58/51/370675851.db2.gz UKPURZISGKZGSG-JTQLQIEISA-N 1 3 212.337 0.737 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCCC[NH3+] ZINC000428482533 201024623 /nfs/dbraw/zinc/02/46/23/201024623.db2.gz OZKVTTIACFUQPU-AOOOYVTPSA-N 1 3 213.325 0.324 20 0 BCADHO CC(=O)N1CC[C@@H](N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000622044920 370678390 /nfs/dbraw/zinc/67/83/90/370678390.db2.gz XXCZAWVZCTUSIH-FXPVBKGRSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](CC(=O)N(C)C)NCC[C@H](C)[NH3+] ZINC000622045785 370679600 /nfs/dbraw/zinc/67/96/00/370679600.db2.gz ZAPXZGHEBRUHOT-DTWKUNHWSA-N 1 3 201.314 0.180 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428983123 201056232 /nfs/dbraw/zinc/05/62/32/201056232.db2.gz UYIOECQVOJPVTM-WOPDTQHZSA-N 1 3 241.379 0.864 20 0 BCADHO CCCN(C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000429276827 201089387 /nfs/dbraw/zinc/08/93/87/201089387.db2.gz XJAKXUGINJGKQZ-GFCCVEGCSA-N 1 3 229.368 0.818 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429165251 201075415 /nfs/dbraw/zinc/07/54/15/201075415.db2.gz SHUKRAMJXDYTKW-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N(C)C ZINC000429162731 201075677 /nfs/dbraw/zinc/07/56/77/201075677.db2.gz YPLNIDAUQULIJF-WOPDTQHZSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)N(C)C ZINC000429162721 201076589 /nfs/dbraw/zinc/07/65/89/201076589.db2.gz YPLNIDAUQULIJF-SRVKXCTJSA-N 1 3 241.379 0.768 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000429189008 201078357 /nfs/dbraw/zinc/07/83/57/201078357.db2.gz ATRJMORIIAZFKA-NWDGAFQWSA-N 1 3 241.379 0.960 20 0 BCADHO [NH3+]C1(CNCCCN2CCOCC2)CCC1 ZINC000342088751 181332221 /nfs/dbraw/zinc/33/22/21/181332221.db2.gz AKRFIKYCQRUDNH-UHFFFAOYSA-N 1 3 227.352 0.180 20 0 BCADHO NC1(C[NH2+]CCCN2CCOCC2)CCC1 ZINC000342088751 181332223 /nfs/dbraw/zinc/33/22/23/181332223.db2.gz AKRFIKYCQRUDNH-UHFFFAOYSA-N 1 3 227.352 0.180 20 0 BCADHO CC[C@@H](NCCOCCC[NH3+])c1cnn(C)c1 ZINC000629539196 361405213 /nfs/dbraw/zinc/40/52/13/361405213.db2.gz OYZFHUGMFIPGJE-GFCCVEGCSA-N 1 3 240.351 0.826 20 0 BCADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000429391758 201106919 /nfs/dbraw/zinc/10/69/19/201106919.db2.gz BCENZLDKVQAILS-NEPJUHHUSA-N 1 3 241.379 0.833 20 0 BCADHO CCCN(C)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000429485668 201110694 /nfs/dbraw/zinc/11/06/94/201110694.db2.gz ULFHJQRMGKWIPT-UHFFFAOYSA-N 1 3 229.368 0.772 20 0 BCADHO CC(C)[NH2+]CCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000579332967 366760927 /nfs/dbraw/zinc/76/09/27/366760927.db2.gz IQYNLMYBZORWMS-QWRGUYRKSA-N 1 3 227.352 0.583 20 0 BCADHO CCO[C@@H](C[N@H+](C)C[C@@H](O)CN)C1CC1 ZINC000629537318 361401497 /nfs/dbraw/zinc/40/14/97/361401497.db2.gz ORBOFOIFAYACIW-QWRGUYRKSA-N 1 3 216.325 0.053 20 0 BCADHO CCO[C@@H](C[N@@H+](C)C[C@@H](O)CN)C1CC1 ZINC000629537318 361401502 /nfs/dbraw/zinc/40/15/02/361401502.db2.gz ORBOFOIFAYACIW-QWRGUYRKSA-N 1 3 216.325 0.053 20 0 BCADHO C[C@H](NCCOCCC[NH3+])c1cnn(C)c1 ZINC000629538024 361402533 /nfs/dbraw/zinc/40/25/33/361402533.db2.gz LPAQDPNROBXANJ-JTQLQIEISA-N 1 3 226.324 0.436 20 0 BCADHO C[C@H](C[NH3+])N(C)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000429324020 201101587 /nfs/dbraw/zinc/10/15/87/201101587.db2.gz YYJCXJMKNVZBQM-GMTAPVOTSA-N 1 3 227.352 0.665 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429556877 201116188 /nfs/dbraw/zinc/11/61/88/201116188.db2.gz ZEWMPQSUWCNWRK-QWHCGFSZSA-N 1 3 244.379 0.800 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429556877 201116192 /nfs/dbraw/zinc/11/61/92/201116192.db2.gz ZEWMPQSUWCNWRK-QWHCGFSZSA-N 1 3 244.379 0.800 20 0 BCADHO C[C@H](NCCOCCC[NH3+])c1cnccc1N ZINC000629540619 361415641 /nfs/dbraw/zinc/41/56/41/361415641.db2.gz VUSNZKUSMNFANP-JTQLQIEISA-N 1 3 238.335 0.510 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629544735 361425057 /nfs/dbraw/zinc/42/50/57/361425057.db2.gz KMLIQQBINDZTAG-XQQFMLRXSA-N 1 3 241.379 0.160 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000629544735 361425059 /nfs/dbraw/zinc/42/50/59/361425059.db2.gz KMLIQQBINDZTAG-XQQFMLRXSA-N 1 3 241.379 0.160 20 0 BCADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000629546192 361427926 /nfs/dbraw/zinc/42/79/26/361427926.db2.gz OXUHRYAHHXSKNE-XQQFMLRXSA-N 1 3 241.379 0.031 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629542119 361417978 /nfs/dbraw/zinc/41/79/78/361417978.db2.gz YPCNFOHLKGZUPQ-WISYIIOYSA-N 1 3 211.353 0.667 20 0 BCADHO CCn1cc([C@H](C)NCCOCCC[NH3+])cn1 ZINC000629542187 361418034 /nfs/dbraw/zinc/41/80/34/361418034.db2.gz WLXRAJDDONCYSW-NSHDSACASA-N 1 3 240.351 0.919 20 0 BCADHO C[NH2+]CCOCCN(C)CCn1cc(C)cn1 ZINC000629572184 361463722 /nfs/dbraw/zinc/46/37/22/361463722.db2.gz OGUUBKMPUYCUJS-UHFFFAOYSA-N 1 3 240.351 0.359 20 0 BCADHO CCO[C@H](CN(C)CCOCC[NH3+])C1CC1 ZINC000629581294 361471286 /nfs/dbraw/zinc/47/12/86/361471286.db2.gz UZGAUPLWZKJEGC-GFCCVEGCSA-N 1 3 230.352 0.709 20 0 BCADHO CCO[C@@H](CN(C)CCOCC[NH3+])C1CC1 ZINC000629581295 361471562 /nfs/dbraw/zinc/47/15/62/361471562.db2.gz UZGAUPLWZKJEGC-LBPRGKRZSA-N 1 3 230.352 0.709 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000433172917 201162886 /nfs/dbraw/zinc/16/28/86/201162886.db2.gz DTCHHFAMMSEIJK-AXFHLTTASA-N 1 3 227.352 0.426 20 0 BCADHO CC[C@H](C(=O)NCCC[NH2+]C(C)C)N(C)C ZINC000629612625 361499625 /nfs/dbraw/zinc/49/96/25/361499625.db2.gz FYFCXMXDBSIHFQ-LLVKDONJSA-N 1 3 229.368 0.831 20 0 BCADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]C)C1)N(C)C ZINC000629610676 361500584 /nfs/dbraw/zinc/50/05/84/361500584.db2.gz DUNWZHTXGJHJRT-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH3+])N(C)C ZINC000629611769 361501365 /nfs/dbraw/zinc/50/13/65/361501365.db2.gz FLNFUNUVDSCLKQ-DTWKUNHWSA-N 1 3 201.314 0.038 20 0 BCADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)N(C)C ZINC000629611733 361501525 /nfs/dbraw/zinc/50/15/25/361501525.db2.gz CXRHNIXTXZXWOW-AAEUAGOBSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000629612034 361502407 /nfs/dbraw/zinc/50/24/07/361502407.db2.gz PPYGFXCBZMWBOP-GRYCIOLGSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)N(C)C ZINC000629612175 361502451 /nfs/dbraw/zinc/50/24/51/361502451.db2.gz WFYHEFWCSMRHSU-ZJUUUORDSA-N 1 3 213.325 0.180 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)N(C)C ZINC000629614915 361503459 /nfs/dbraw/zinc/50/34/59/361503459.db2.gz KGVQPTGAXRWPMV-NQBHXWOUSA-N 1 3 241.379 0.770 20 0 BCADHO CC[C@@H](C(=O)NCCC1CC[NH2+]CC1)N(C)C ZINC000629616131 361506412 /nfs/dbraw/zinc/50/64/12/361506412.db2.gz XRUWRDONTYWSIH-LBPRGKRZSA-N 1 3 241.379 0.833 20 0 BCADHO CC[C@@H](C(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000629613458 361508077 /nfs/dbraw/zinc/50/80/77/361508077.db2.gz OSPXGZXCMPRNFH-JTQLQIEISA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](C(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000629613460 361508111 /nfs/dbraw/zinc/50/81/11/361508111.db2.gz OSPXGZXCMPRNFH-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)N(C)C ZINC000629613796 361508411 /nfs/dbraw/zinc/50/84/11/361508411.db2.gz SXBIZNJXPSTPRP-HTQZYQBOSA-N 1 3 237.294 0.425 20 0 BCADHO COC1(CN(C)C[C@H](O)C[NH3+])CCCC1 ZINC000629648077 361539490 /nfs/dbraw/zinc/53/94/90/361539490.db2.gz GPNAYAIMTOSEKI-SNVBAGLBSA-N 1 3 216.325 0.197 20 0 BCADHO COC1(C[N@H+](C)C[C@H](O)CN)CCCC1 ZINC000629648077 361539493 /nfs/dbraw/zinc/53/94/93/361539493.db2.gz GPNAYAIMTOSEKI-SNVBAGLBSA-N 1 3 216.325 0.197 20 0 BCADHO COC1(C[N@@H+](C)C[C@H](O)CN)CCCC1 ZINC000629648077 361539499 /nfs/dbraw/zinc/53/94/99/361539499.db2.gz GPNAYAIMTOSEKI-SNVBAGLBSA-N 1 3 216.325 0.197 20 0 BCADHO C[C@@]1(C(=O)NC[C@@H](N)c2ccccc2)CC[NH2+]C1 ZINC000152089496 201189313 /nfs/dbraw/zinc/18/93/13/201189313.db2.gz QJIKIWBWOFIOPO-TZMCWYRMSA-N 1 3 247.342 0.802 20 0 BCADHO Cn1ccc(C[NH2+]CC2(N)CCOCC2)c1 ZINC000629653980 361554573 /nfs/dbraw/zinc/55/45/73/361554573.db2.gz KVMBAAUKCVCQDK-UHFFFAOYSA-N 1 3 223.320 0.623 20 0 BCADHO [NH3+]CCCNc1ccc2c(c1)OCCNC2 ZINC000629665984 361587857 /nfs/dbraw/zinc/58/78/57/361587857.db2.gz ZNMZJZDOTBXALB-UHFFFAOYSA-N 1 3 221.304 0.929 20 0 BCADHO CC(C)[C@@H](C(=O)N1C[C@H](C)N[C@@H](C)C1)[NH+](C)C ZINC000153295732 201227868 /nfs/dbraw/zinc/22/78/68/201227868.db2.gz JJCJUQJASPOGIR-SRVKXCTJSA-N 1 3 241.379 0.781 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000434697415 201233511 /nfs/dbraw/zinc/23/35/11/201233511.db2.gz ONEBIJKOORCXIB-JFGNBEQYSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@H](C(=O)N1C[C@@H](C)N[C@H](C)C1)[NH+](C)C ZINC000153438798 201235541 /nfs/dbraw/zinc/23/55/41/201235541.db2.gz JJCJUQJASPOGIR-IJLUTSLNSA-N 1 3 241.379 0.781 20 0 BCADHO CCC[N@H+](C)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000434712117 201236849 /nfs/dbraw/zinc/23/68/49/201236849.db2.gz UEDDKRYXIAPOLE-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCC[N@@H+](C)CC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000434712117 201236851 /nfs/dbraw/zinc/23/68/51/201236851.db2.gz UEDDKRYXIAPOLE-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCCN(C)CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000434712117 201236853 /nfs/dbraw/zinc/23/68/53/201236853.db2.gz UEDDKRYXIAPOLE-QWRGUYRKSA-N 1 3 227.352 0.537 20 0 BCADHO CCN(CC)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435239856 201257695 /nfs/dbraw/zinc/25/76/95/201257695.db2.gz LUFGSLKEPZFOOL-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CCCN(C)CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236782 201257958 /nfs/dbraw/zinc/25/79/58/201257958.db2.gz KRAQMWARQOSHDK-GFCCVEGCSA-N 1 3 239.363 0.681 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000155242885 201308529 /nfs/dbraw/zinc/30/85/29/201308529.db2.gz XEPXWDWYHNHZFK-ZDCRXTMVSA-N 1 3 227.352 0.569 20 0 BCADHO COc1cccc(C[C@H](C)NCCC[NH3+])n1 ZINC000437788606 201373992 /nfs/dbraw/zinc/37/39/92/201373992.db2.gz UOGYRELKAQCRBD-JTQLQIEISA-N 1 3 223.320 0.960 20 0 BCADHO COc1cccc(C[C@H](C)[NH2+]CCCN)n1 ZINC000437788606 201373995 /nfs/dbraw/zinc/37/39/95/201373995.db2.gz UOGYRELKAQCRBD-JTQLQIEISA-N 1 3 223.320 0.960 20 0 BCADHO CC[C@@H](N)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604503 364328414 /nfs/dbraw/zinc/32/84/14/364328414.db2.gz AQZRBWPOVWFXPU-DTWKUNHWSA-N 1 3 209.297 0.440 20 0 BCADHO CCC[C@H](N)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630606481 364329463 /nfs/dbraw/zinc/32/94/63/364329463.db2.gz YNFLEBCLTKIDEF-ZJUUUORDSA-N 1 3 223.324 0.830 20 0 BCADHO c1c(C[C@H]2CC[NH2+]C2)nnn1CCN1CCCC1 ZINC000630618112 364360425 /nfs/dbraw/zinc/36/04/25/364360425.db2.gz NLSADCNGDBXSCX-GFCCVEGCSA-N 1 3 249.362 0.526 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCc2ccccc2[C@H]1CN ZINC000573266193 364790449 /nfs/dbraw/zinc/79/04/49/364790449.db2.gz WHFWDWUQDDOISW-GXFFZTMASA-N 1 3 247.342 0.679 20 0 BCADHO N[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328187965 364817229 /nfs/dbraw/zinc/81/72/29/364817229.db2.gz OPDRJIUDXFFHGY-QJPTWQEYSA-N 1 3 212.337 0.961 20 0 BCADHO N[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000328187965 364817233 /nfs/dbraw/zinc/81/72/33/364817233.db2.gz OPDRJIUDXFFHGY-QJPTWQEYSA-N 1 3 212.337 0.961 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000573446128 364835034 /nfs/dbraw/zinc/83/50/34/364835034.db2.gz PLJOUUNFVCMIHV-QJPTWQEYSA-N 1 3 237.347 0.339 20 0 BCADHO CC(C)(N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000573565386 364863346 /nfs/dbraw/zinc/86/33/46/364863346.db2.gz IHOYWJRCUSRKAL-SECBINFHSA-N 1 3 248.330 0.573 20 0 BCADHO CN[C@@H](C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000573741771 364907832 /nfs/dbraw/zinc/90/78/32/364907832.db2.gz QPOPGYFGURDIKD-ONGXEEELSA-N 1 3 233.315 0.511 20 0 BCADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000574210701 365010784 /nfs/dbraw/zinc/01/07/84/365010784.db2.gz XCFMMINSNNVBNR-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)N(C)C ZINC000162174190 541446803 /nfs/dbraw/zinc/44/68/03/541446803.db2.gz PECIJZIQCARMPP-JQWIXIFHSA-N 1 3 241.379 0.926 20 0 BCADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000162174190 541446808 /nfs/dbraw/zinc/44/68/08/541446808.db2.gz PECIJZIQCARMPP-JQWIXIFHSA-N 1 3 241.379 0.926 20 0 BCADHO [NH3+]CCN1CCN(CCc2ccccc2)CC1 ZINC000019933519 181392049 /nfs/dbraw/zinc/39/20/49/181392049.db2.gz OGLLKVSBWCYXPQ-UHFFFAOYSA-N 1 3 233.359 0.805 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C1CCN(C)CC1 ZINC000574451939 365065039 /nfs/dbraw/zinc/06/50/39/365065039.db2.gz XITSGZPTFVBSLK-SNVBAGLBSA-N 1 3 213.325 0.182 20 0 BCADHO CC(C)[NH2+]CCCNC(=O)[C@H](C)NC1CC1 ZINC000574262209 365021501 /nfs/dbraw/zinc/02/15/01/365021501.db2.gz NVUMCJJYGDDQMN-JTQLQIEISA-N 1 3 227.352 0.631 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284207 365029790 /nfs/dbraw/zinc/02/97/90/365029790.db2.gz PGNSQXUNFJHCHB-GRYCIOLGSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574284207 365029792 /nfs/dbraw/zinc/02/97/92/365029792.db2.gz PGNSQXUNFJHCHB-GRYCIOLGSA-N 1 3 214.353 0.935 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN1C[C@H](C)C[C@H](C)C1 ZINC000574284207 365029794 /nfs/dbraw/zinc/02/97/94/365029794.db2.gz PGNSQXUNFJHCHB-GRYCIOLGSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)CNC ZINC000574525561 365083661 /nfs/dbraw/zinc/08/36/61/365083661.db2.gz RCYTYVYCHYABBG-AXFHLTTASA-N 1 3 202.342 0.981 20 0 BCADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCCCN1 ZINC000574638814 365109374 /nfs/dbraw/zinc/10/93/74/365109374.db2.gz LKEHTVMRNSYUIF-GMTAPVOTSA-N 1 3 225.336 0.324 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)[C@H]3CC[NH2+]C3)[C@@H]2C1 ZINC000574689497 365121093 /nfs/dbraw/zinc/12/10/93/365121093.db2.gz JVKNFRXJFDQDJP-SDDRHHMPSA-N 1 3 237.347 0.149 20 0 BCADHO CSCC[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000574754617 365135174 /nfs/dbraw/zinc/13/51/74/365135174.db2.gz ICWYHKGDROKVKE-SECBINFHSA-N 1 3 245.392 0.277 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(CCN(C)C)C1CC1 ZINC000574516886 365078519 /nfs/dbraw/zinc/07/85/19/365078519.db2.gz IHVXBHYKKABVFZ-JTQLQIEISA-N 1 3 227.352 0.395 20 0 BCADHO CC(C)CC[C@H](O)CNC[C@H](O)C[NH+](C)C ZINC000574876539 365157073 /nfs/dbraw/zinc/15/70/73/365157073.db2.gz ASJKYMFFXDADNC-RYUDHWBXSA-N 1 3 232.368 0.296 20 0 BCADHO [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000574881842 365167896 /nfs/dbraw/zinc/16/78/96/365167896.db2.gz WFTGHICWPNVIDQ-KXUCPTDWSA-N 1 3 223.320 0.077 20 0 BCADHO C[NH2+]CC1CCN(C(=O)[C@@H](N)C2CCC2)CC1 ZINC000575057906 365180973 /nfs/dbraw/zinc/18/09/73/365180973.db2.gz VBDLBTXQCYAIAC-LBPRGKRZSA-N 1 3 239.363 0.572 20 0 BCADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000444179216 193039656 /nfs/dbraw/zinc/03/96/56/193039656.db2.gz YTGBDQPHAHTJKE-GHMZBOCLSA-N 1 3 225.336 0.339 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444260626 193042622 /nfs/dbraw/zinc/04/26/22/193042622.db2.gz SVIATWUEFQZOMC-AXFHLTTASA-N 1 3 227.352 0.618 20 0 BCADHO C[C@@]1(C(=O)NCC[C@H]2CCC[NH2+]2)CCCCN1 ZINC000444259877 193042986 /nfs/dbraw/zinc/04/29/86/193042986.db2.gz PCEXZLBRLMWBKJ-YPMHNXCESA-N 1 3 239.363 0.777 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000575816624 365373363 /nfs/dbraw/zinc/37/33/63/365373363.db2.gz URBSQSDAKGYUEH-GXSJLCMTSA-N 1 3 215.341 0.474 20 0 BCADHO CCCN(C)CC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000575987342 365437747 /nfs/dbraw/zinc/43/77/47/365437747.db2.gz ORCWXMHIEPFXCY-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO CC[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000576106765 365488776 /nfs/dbraw/zinc/48/87/76/365488776.db2.gz LCQIKESMZZJJOL-BBBLOLIVSA-N 1 3 213.325 0.167 20 0 BCADHO CNC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000156091663 541485005 /nfs/dbraw/zinc/48/50/05/541485005.db2.gz DNJMYYOWMSOZPY-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000156091663 541485007 /nfs/dbraw/zinc/48/50/07/541485007.db2.gz DNJMYYOWMSOZPY-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CC[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC000579730033 366996584 /nfs/dbraw/zinc/99/65/84/366996584.db2.gz SOVIEFWGIVSRHM-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC000579730033 366996588 /nfs/dbraw/zinc/99/65/88/366996588.db2.gz SOVIEFWGIVSRHM-NSHDSACASA-N 1 3 227.352 0.396 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000381417064 367397811 /nfs/dbraw/zinc/39/78/11/367397811.db2.gz VBQALCPADZHATO-QNSHHTMESA-N 1 3 213.325 0.213 20 0 BCADHO CCC[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000195518433 367365730 /nfs/dbraw/zinc/36/57/30/367365730.db2.gz FJPGDICRYDDZAD-UHFFFAOYSA-N 1 3 241.379 0.786 20 0 BCADHO CCC[NH+]1CCC(NC[C@@](C)(O)COC)CC1 ZINC000382565561 367540914 /nfs/dbraw/zinc/54/09/14/367540914.db2.gz NZNJKQJQKGRASV-CYBMUJFWSA-N 1 3 244.379 0.848 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000382925353 367569290 /nfs/dbraw/zinc/56/92/90/367569290.db2.gz DFWFGVXOGRFYDN-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](NC1CC1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000382925353 367569293 /nfs/dbraw/zinc/56/92/93/367569293.db2.gz DFWFGVXOGRFYDN-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000382976420 367579128 /nfs/dbraw/zinc/57/91/28/367579128.db2.gz SPOYODNJHOZELX-JBLDHEPKSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000382976420 367579133 /nfs/dbraw/zinc/57/91/33/367579133.db2.gz SPOYODNJHOZELX-JBLDHEPKSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)NC1CC1 ZINC000382979686 367580345 /nfs/dbraw/zinc/58/03/45/367580345.db2.gz UBBALRASEQVEPK-ZJUUUORDSA-N 1 3 227.352 0.583 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](C)NC1CC1)C1CC1 ZINC000383329794 367613408 /nfs/dbraw/zinc/61/34/08/367613408.db2.gz KAEHSKZKHJRCNP-JTQLQIEISA-N 1 3 239.363 0.727 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](C)NC1CC1)C1CC1 ZINC000383329794 367613417 /nfs/dbraw/zinc/61/34/17/367613417.db2.gz KAEHSKZKHJRCNP-JTQLQIEISA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H](NC1CC1)C(=O)NC[C@H](C)[NH+](C)C ZINC000383359385 367616969 /nfs/dbraw/zinc/61/69/69/367616969.db2.gz MZMAQVXOTYVYIU-DTWKUNHWSA-N 1 3 213.325 0.193 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000581665748 367665809 /nfs/dbraw/zinc/66/58/09/367665809.db2.gz FEARBOWUHPQWOC-XWLWVQCSSA-N 1 3 242.367 0.504 20 0 BCADHO O=C([C@H]1CC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000384836011 367739921 /nfs/dbraw/zinc/73/99/21/367739921.db2.gz OVCAVSRZDNSUIF-GHMZBOCLSA-N 1 3 223.320 0.045 20 0 BCADHO CCN(CC)CC(=O)NCC1CC[NH2+]CC1 ZINC000566202607 326011646 /nfs/dbraw/zinc/01/16/46/326011646.db2.gz MWWZFSNRIZZGDX-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000581887139 367878452 /nfs/dbraw/zinc/87/84/52/367878452.db2.gz FXNYITFFBMHSPI-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000581887139 367878458 /nfs/dbraw/zinc/87/84/58/367878458.db2.gz FXNYITFFBMHSPI-GHMZBOCLSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(N)C(F)(F)F)C1 ZINC000566208151 326013539 /nfs/dbraw/zinc/01/35/39/326013539.db2.gz JACJKDWJDIIJDG-ACZMJKKPSA-N 1 3 239.241 0.072 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCCC[NH3+] ZINC000566190355 326009257 /nfs/dbraw/zinc/00/92/57/326009257.db2.gz TYRLZXOOZXCAMB-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C(=O)NCC[NH3+])[C@H](N)c1ccccc1 ZINC000087645618 367952232 /nfs/dbraw/zinc/95/22/32/367952232.db2.gz VPYUKDVKTRFKIU-ONGXEEELSA-N 1 3 221.304 0.397 20 0 BCADHO CC(C)N(C)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615513606 368086271 /nfs/dbraw/zinc/08/62/71/368086271.db2.gz VNQCEBGXWINHCD-UHFFFAOYSA-N 1 3 227.352 0.347 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000082261717 368661492 /nfs/dbraw/zinc/66/14/92/368661492.db2.gz YQHZNLXTTRHFLD-ZDUSSCGKSA-N 1 3 247.342 0.425 20 0 BCADHO CCCN(C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457206764 203019225 /nfs/dbraw/zinc/01/92/25/203019225.db2.gz LYGSSSSVYQYQFJ-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO CN(C)C[C@@H]1CCCCN1C(=O)CC[NH3+] ZINC000083914408 368840759 /nfs/dbraw/zinc/84/07/59/368840759.db2.gz OXOWJGGZECEXBL-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO COCCOCCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000086403782 368880422 /nfs/dbraw/zinc/88/04/22/368880422.db2.gz DDNLZTCYDMPVTG-WDEREUQCSA-N 1 3 216.325 0.509 20 0 BCADHO COCCN1CC[C@@H](NCCC[NH2+]C(C)C)C1 ZINC000567639277 326236711 /nfs/dbraw/zinc/23/67/11/326236711.db2.gz DHTVFERFWOMCCQ-CYBMUJFWSA-N 1 3 243.395 0.685 20 0 BCADHO C[C@@H](C(=O)N1CCCC[C@H]1CN(C)C)[C@H](C)[NH3+] ZINC000404906489 369438317 /nfs/dbraw/zinc/43/83/17/369438317.db2.gz YWVTWGVTKLUCJW-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H]1C[C@@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861872 369473569 /nfs/dbraw/zinc/47/35/69/369473569.db2.gz JILQHMGOJZPJRM-WDEREUQCSA-N 1 3 212.337 0.689 20 0 BCADHO C[C@@H]1C[C@H]1CN1CCC([NH2+]CCO)CC1 ZINC000631861869 369473695 /nfs/dbraw/zinc/47/36/95/369473695.db2.gz JILQHMGOJZPJRM-MNOVXSKESA-N 1 3 212.337 0.689 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000165319772 203382912 /nfs/dbraw/zinc/38/29/12/203382912.db2.gz GIGLMGBJAUIDLG-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO CC(C)[C@@H](N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000165319772 203382914 /nfs/dbraw/zinc/38/29/14/203382914.db2.gz GIGLMGBJAUIDLG-NWDGAFQWSA-N 1 3 241.379 0.770 20 0 BCADHO CNC[C@](C)(O)C[NH+]1CCC(CCO)CC1 ZINC000568057037 326300009 /nfs/dbraw/zinc/30/00/09/326300009.db2.gz MHBGTABKZNFNFO-LBPRGKRZSA-N 1 3 230.352 0.051 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NCCC[NH+](C)C ZINC000620321928 369833793 /nfs/dbraw/zinc/83/37/93/369833793.db2.gz ZLGVMLJDINYZTB-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CC[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1)N(C)C ZINC000620902287 370049758 /nfs/dbraw/zinc/04/97/58/370049758.db2.gz RBULISQYHKFJDW-GRYCIOLGSA-N 1 3 241.379 0.926 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682720 370431238 /nfs/dbraw/zinc/43/12/38/370431238.db2.gz JZNPBRUNUKKDQN-BREBYQMCSA-N 1 3 237.347 0.324 20 0 BCADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCCCN1)C2 ZINC000621683866 370432551 /nfs/dbraw/zinc/43/25/51/370432551.db2.gz CUGGFKHRARXNLR-WZRBSPASSA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684432 370434831 /nfs/dbraw/zinc/43/48/31/370434831.db2.gz MISBGPLCMRCVEX-GMXVVIOVSA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621684389 370434900 /nfs/dbraw/zinc/43/49/00/370434900.db2.gz LSQZKWTTYFNFBS-JBLDHEPKSA-N 1 3 225.336 0.310 20 0 BCADHO [NH3+][C@]12CCC[C@H]1CN(C[C@H]1CCOC1)C2 ZINC000621782507 370532694 /nfs/dbraw/zinc/53/26/94/370532694.db2.gz PVTNDFCIIWNMTK-WOPDTQHZSA-N 1 3 210.321 0.836 20 0 BCADHO C[C@H]1CCN[C@H](C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000569215332 326395472 /nfs/dbraw/zinc/39/54/72/326395472.db2.gz YNBWVSPRYXBFAZ-AXFHLTTASA-N 1 3 225.336 0.243 20 0 BCADHO C[C@H]1C[C@H]([NH2+]CCN2CC[C@@H](O)C2)CCN1C ZINC000624228538 371417714 /nfs/dbraw/zinc/41/77/14/371417714.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@H](NCCN2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000624228538 371417716 /nfs/dbraw/zinc/41/77/16/371417716.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 1 3 241.379 0.125 20 0 BCADHO C[C@H]1C[C@H](NCCN2CC[C@@H](O)C2)CC[N@H+]1C ZINC000624228538 371417720 /nfs/dbraw/zinc/41/77/20/371417720.db2.gz VDJHLJIOBJBOQB-YNEHKIRRSA-N 1 3 241.379 0.125 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000165405256 326421925 /nfs/dbraw/zinc/42/19/25/326421925.db2.gz HEXDRZPWCXIIDA-WDEREUQCSA-N 1 3 229.368 0.770 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627648957 371807838 /nfs/dbraw/zinc/80/78/38/371807838.db2.gz CKMKVBUBMITHJN-PJXYFTJBSA-N 1 3 239.363 0.347 20 0 BCADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)N(C)C ZINC000627652769 371811874 /nfs/dbraw/zinc/81/18/74/371811874.db2.gz SBLNQJVZHLWDEN-WHOHXGKFSA-N 1 3 239.363 0.345 20 0 BCADHO CN(C[C@@H]1CCc2ncnn21)[C@@H]1CCC[NH2+]CC1 ZINC000631823453 372600258 /nfs/dbraw/zinc/60/02/58/372600258.db2.gz FDFOJRNHSOAOMH-NEPJUHHUSA-N 1 3 249.362 0.839 20 0 BCADHO C[C@@H]1C[C@@H](C[NH3+])CN1C[C@H]1CCc2ncnn21 ZINC000631822451 372599225 /nfs/dbraw/zinc/59/92/25/372599225.db2.gz DJRLOQLKAGJWHT-OUAUKWLOSA-N 1 3 235.335 0.435 20 0 BCADHO CC(C)(C)[C@@H](C[NH3+])NC[C@H]1CCc2ncnn21 ZINC000631827558 372607546 /nfs/dbraw/zinc/60/75/46/372607546.db2.gz QKJJMZPPDHETDZ-NXEZZACHSA-N 1 3 237.351 0.728 20 0 BCADHO OCC1([NH2+]C[C@H]2CCCCO2)CCNCC1 ZINC000631829488 372610215 /nfs/dbraw/zinc/61/02/15/372610215.db2.gz RIQHJAXNTVEXII-LLVKDONJSA-N 1 3 228.336 0.260 20 0 BCADHO C[C@H]1OCC[C@@H]1CNC1(CO)CC[NH2+]CC1 ZINC000631829484 372611756 /nfs/dbraw/zinc/61/17/56/372611756.db2.gz RIMYQELMCDSSKB-GHMZBOCLSA-N 1 3 228.336 0.116 20 0 BCADHO COC[C@@H](C[N@@H+]1CCCCC[C@@H](N)C1)OC ZINC000631835011 372620535 /nfs/dbraw/zinc/62/05/35/372620535.db2.gz KIVRXQSDZNREEV-VXGBXAGGSA-N 1 3 230.352 0.851 20 0 BCADHO COC[C@@H](C[N@H+]1CCCCC[C@@H](N)C1)OC ZINC000631835011 372620538 /nfs/dbraw/zinc/62/05/38/372620538.db2.gz KIVRXQSDZNREEV-VXGBXAGGSA-N 1 3 230.352 0.851 20 0 BCADHO [NH3+][C@H]1CCCCCN(C[C@@H]2CNCCO2)C1 ZINC000631835064 372620989 /nfs/dbraw/zinc/62/09/89/372620989.db2.gz LMJRZIRLLKXXDU-RYUDHWBXSA-N 1 3 227.352 0.178 20 0 BCADHO CC1(F)CCN(CCOCC[NH3+])CC1 ZINC000631867014 372668044 /nfs/dbraw/zinc/66/80/44/372668044.db2.gz GNFKUHQUEZPNGM-UHFFFAOYSA-N 1 3 204.289 0.786 20 0 BCADHO CCCCOCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000040507195 373371312 /nfs/dbraw/zinc/37/13/12/373371312.db2.gz ZWSPTCQWVUAWAO-CYBMUJFWSA-N 1 3 244.379 0.849 20 0 BCADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CC[NH2+]C1 ZINC000062114024 182115599 /nfs/dbraw/zinc/11/55/99/182115599.db2.gz MSYHTPLWJLTIIJ-JTQLQIEISA-N 1 3 237.347 0.339 20 0 BCADHO O=C(NCCN1CCCC1)C1CC[NH2+]CC1 ZINC000021952587 182184375 /nfs/dbraw/zinc/18/43/75/182184375.db2.gz MVZBWFIEACDRGS-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO O=C(NCCN1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035663385 182185789 /nfs/dbraw/zinc/18/57/89/182185789.db2.gz SDOCJSDFYWWYDL-NSHDSACASA-N 1 3 225.336 0.341 20 0 BCADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@]1(F)CCNC1 ZINC000376694168 182199714 /nfs/dbraw/zinc/19/97/14/182199714.db2.gz FGYUIADVUDOUEK-JQWIXIFHSA-N 1 3 243.326 0.194 20 0 BCADHO CO[C@@H](C)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000381628176 374136179 /nfs/dbraw/zinc/13/61/79/374136179.db2.gz NETWEFVFNDJIBQ-NWDGAFQWSA-N 1 3 230.352 0.458 20 0 BCADHO CCN1CC[C@@H]([NH2+]CCN(C)C)[C@H](C)C1 ZINC000308864808 170013101 /nfs/dbraw/zinc/01/31/01/170013101.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCN(C)C)[C@H](C)C1 ZINC000308864808 170013102 /nfs/dbraw/zinc/01/31/02/170013102.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 1 3 213.369 0.868 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCN(C)C)[C@H](C)C1 ZINC000308864808 170013103 /nfs/dbraw/zinc/01/31/03/170013103.db2.gz ABRMKFZHJSRNDV-VXGBXAGGSA-N 1 3 213.369 0.868 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCCCCC1 ZINC000424131382 206031305 /nfs/dbraw/zinc/03/13/05/206031305.db2.gz GLSKDUPLXRYYMP-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449599825 206099587 /nfs/dbraw/zinc/09/95/87/206099587.db2.gz HRVNKSKRYZKYNB-OUAUKWLOSA-N 1 3 227.352 0.713 20 0 BCADHO O=C(N[C@H]1CCN(C2CC2)C1)C1CC[NH2+]CC1 ZINC000044726731 182333898 /nfs/dbraw/zinc/33/38/98/182333898.db2.gz XXDVKJTUFHWOOT-NSHDSACASA-N 1 3 237.347 0.339 20 0 BCADHO CCCCN(C)CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000166638202 206142337 /nfs/dbraw/zinc/14/23/37/206142337.db2.gz LQAZFINVPYUEBN-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000167326407 206144839 /nfs/dbraw/zinc/14/48/39/206144839.db2.gz MFMWRGBUOGHKMY-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000167326407 206144845 /nfs/dbraw/zinc/14/48/45/206144845.db2.gz MFMWRGBUOGHKMY-MNOVXSKESA-N 1 3 227.352 0.714 20 0 BCADHO O=C(Nc1cnc2c(c1)CNCC2)[C@@H]1CC[NH2+]C1 ZINC000371443833 182392687 /nfs/dbraw/zinc/39/26/87/182392687.db2.gz UECFZZROSDMKJY-SECBINFHSA-N 1 3 246.314 0.275 20 0 BCADHO CCN(CC)CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178722403 134310575 /nfs/dbraw/zinc/31/05/75/134310575.db2.gz LQHMADYABUFWBH-JTQLQIEISA-N 1 3 213.325 0.196 20 0 BCADHO CCCC[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679624 169005656 /nfs/dbraw/zinc/00/56/56/169005656.db2.gz WQVQBBYOPZFZRK-NSHDSACASA-N 1 3 229.368 0.962 20 0 BCADHO CCCC[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000040807272 169006136 /nfs/dbraw/zinc/00/61/36/169006136.db2.gz TWXDTAWDZDJHGS-JTQLQIEISA-N 1 3 229.368 0.960 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353380741 169006147 /nfs/dbraw/zinc/00/61/47/169006147.db2.gz DCNGXJPKFFOFRZ-TUAOUCFPSA-N 1 3 239.363 0.572 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089356 169007584 /nfs/dbraw/zinc/00/75/84/169007584.db2.gz JMVMNPFQGAIKFE-ZJUUUORDSA-N 1 3 215.341 0.570 20 0 BCADHO CCCC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000309406670 169007598 /nfs/dbraw/zinc/00/75/98/169007598.db2.gz IAPDXXASQYLHBW-VHSXEESVSA-N 1 3 215.341 0.603 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358534922 169069311 /nfs/dbraw/zinc/06/93/11/169069311.db2.gz MLNXESGXJVGNGX-LBPRGKRZSA-N 1 3 241.379 0.738 20 0 BCADHO CCCN(C)CC(=O)N(C)CC[NH+](C)C ZINC000359596432 169064066 /nfs/dbraw/zinc/06/40/66/169064066.db2.gz XSBYWTXMXRKRFP-UHFFFAOYSA-N 1 3 215.341 0.348 20 0 BCADHO CCCN(C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000359258241 169067338 /nfs/dbraw/zinc/06/73/38/169067338.db2.gz DDNCIPAIZTUOKN-LBPRGKRZSA-N 1 3 241.379 0.881 20 0 BCADHO CCCN(CC(=O)NC)CC1CC[NH2+]CC1 ZINC000043497669 169095445 /nfs/dbraw/zinc/09/54/45/169095445.db2.gz ORTSPYHTEACBIL-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO CCC[NH+]1CCC(NC[C@H](C)O)CC1 ZINC000035112511 169188505 /nfs/dbraw/zinc/18/85/05/169188505.db2.gz UOZZIJIBCDDANE-JTQLQIEISA-N 1 3 200.326 0.831 20 0 BCADHO CCC[NH+]1CCC(NCC(C)(C)C(N)=O)CC1 ZINC000121882846 169188750 /nfs/dbraw/zinc/18/87/50/169188750.db2.gz VQRAMGRXWRJOLY-UHFFFAOYSA-N 1 3 241.379 0.962 20 0 BCADHO CCCN1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000370783389 169193252 /nfs/dbraw/zinc/19/32/52/169193252.db2.gz XVJNHZIDNLMWEG-UHFFFAOYSA-N 1 3 241.379 0.930 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346134897 169200711 /nfs/dbraw/zinc/20/07/11/169200711.db2.gz KKPAKTYDPUGOCM-NEPJUHHUSA-N 1 3 241.379 0.927 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000236766406 169200748 /nfs/dbraw/zinc/20/07/48/169200748.db2.gz YSRAZLGDMHHHJJ-RYUDHWBXSA-N 1 3 239.363 0.729 20 0 BCADHO CCCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000069626482 169221039 /nfs/dbraw/zinc/22/10/39/169221039.db2.gz WGGDVFWYOHILFK-NSHDSACASA-N 1 3 227.352 0.573 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1 ZINC000236785923 169258537 /nfs/dbraw/zinc/25/85/37/169258537.db2.gz DDAWDSZDMWQNMY-JTQLQIEISA-N 1 3 213.325 0.244 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](CN)c1ccccc1 ZINC000236799750 169259272 /nfs/dbraw/zinc/25/92/72/169259272.db2.gz IMAISDCPMRTMSJ-CYBMUJFWSA-N 1 3 249.358 0.845 20 0 BCADHO CCCNC(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000111612163 169246518 /nfs/dbraw/zinc/24/65/18/169246518.db2.gz MVHHJZGASYNTQI-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO CCC[C@@H](N)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357354515 169388621 /nfs/dbraw/zinc/38/86/21/169388621.db2.gz OCAYILQQKWKLAS-WDEREUQCSA-N 1 3 227.352 0.844 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368100419 383842786 /nfs/dbraw/zinc/84/27/86/383842786.db2.gz QCPYEPYYOKJHGC-GVXVVHGQSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[C@H](CN(C)CCOCC[NH3+])O1 ZINC000301051482 383881343 /nfs/dbraw/zinc/88/13/43/383881343.db2.gz UPCPDLTXURQSEE-GHMZBOCLSA-N 1 3 216.325 0.461 20 0 BCADHO C[C@H]1CC[C@@H](CN(C)CCOCC[NH3+])O1 ZINC000301051484 383881626 /nfs/dbraw/zinc/88/16/26/383881626.db2.gz UPCPDLTXURQSEE-QWRGUYRKSA-N 1 3 216.325 0.461 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000262658164 383882065 /nfs/dbraw/zinc/88/20/65/383882065.db2.gz DTVKHXLHZDETBL-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO CN1CCC(C(=O)N[C@@](C)(C[NH3+])C2CC2)CC1 ZINC000237105534 383889642 /nfs/dbraw/zinc/88/96/42/383889642.db2.gz OFZQCWHHCNJDOU-ZDUSSCGKSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC[C@H]1CC[NH2+]C1 ZINC000648127734 384053845 /nfs/dbraw/zinc/05/38/45/384053845.db2.gz UQGFMBNISOGHFZ-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000648127920 384056877 /nfs/dbraw/zinc/05/68/77/384056877.db2.gz OORPBVFTKBLXBW-NNYUYHANSA-N 1 3 239.363 0.535 20 0 BCADHO C[C@@H]1[C@H](C(=O)N2CCN[C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000648127920 384056881 /nfs/dbraw/zinc/05/68/81/384056881.db2.gz OORPBVFTKBLXBW-NNYUYHANSA-N 1 3 239.363 0.535 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000648140108 384167004 /nfs/dbraw/zinc/16/70/04/384167004.db2.gz DFXIQIIYFADJNW-VWYCJHECSA-N 1 3 239.363 0.618 20 0 BCADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N ZINC000237400412 384171150 /nfs/dbraw/zinc/17/11/50/384171150.db2.gz NQZLXVBWFVNRDW-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)N ZINC000237400412 384171154 /nfs/dbraw/zinc/17/11/54/384171154.db2.gz NQZLXVBWFVNRDW-MNOVXSKESA-N 1 3 241.379 0.960 20 0 BCADHO COC[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000081069211 384180524 /nfs/dbraw/zinc/18/05/24/384180524.db2.gz ULDUAJMHCCCXMW-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(C(N)=O)cc2)C1 ZINC000163247482 384189673 /nfs/dbraw/zinc/18/96/73/384189673.db2.gz SWMKWZCZBIUQNE-ZWNOBZJWSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H]1SCCN(CCOCC[NH3+])[C@H]1C ZINC000132515354 384194050 /nfs/dbraw/zinc/19/40/50/384194050.db2.gz KYVKQRLFJKFRRX-VHSXEESVSA-N 1 3 218.366 0.788 20 0 BCADHO C[C@@H]1[C@H](C)SCCN1CCOCC[NH3+] ZINC000132514760 384233561 /nfs/dbraw/zinc/23/35/61/384233561.db2.gz KYVKQRLFJKFRRX-ZJUUUORDSA-N 1 3 218.366 0.788 20 0 BCADHO N[C@@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000163273069 384213121 /nfs/dbraw/zinc/21/31/21/384213121.db2.gz HMUKTTAFJGKXSQ-NEPJUHHUSA-N 1 3 233.315 0.555 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000644155471 384223119 /nfs/dbraw/zinc/22/31/19/384223119.db2.gz IMXLCRQGBPOCLT-RKDXNWHRSA-N 1 3 225.336 0.241 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC[C@H](CC[NH3+])C1 ZINC000069626358 384246893 /nfs/dbraw/zinc/24/68/93/384246893.db2.gz YDPMESOZXZCGDM-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)N)cc1 ZINC000309419956 384259768 /nfs/dbraw/zinc/25/97/68/384259768.db2.gz JSRPWSHJEHBYNT-SFYZADRCSA-N 1 3 207.277 0.992 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000228621263 384291926 /nfs/dbraw/zinc/29/19/26/384291926.db2.gz IIMMJBYBGQKDOM-XWLWVQCSSA-N 1 3 227.352 0.569 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773195 384294301 /nfs/dbraw/zinc/29/43/01/384294301.db2.gz NAVSNAVGFMAKOW-KXNHARMFSA-N 1 3 237.347 0.276 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370773195 384294305 /nfs/dbraw/zinc/29/43/05/384294305.db2.gz NAVSNAVGFMAKOW-KXNHARMFSA-N 1 3 237.347 0.276 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648179179 384301255 /nfs/dbraw/zinc/30/12/55/384301255.db2.gz ONQDVFAOXDXHPA-NWDGAFQWSA-N 1 3 245.326 0.655 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H](C)N ZINC000308836500 384338200 /nfs/dbraw/zinc/33/82/00/384338200.db2.gz LNOAMCKVHPOMPK-PSASIEDQSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H](C(=O)NC1CC1)N1CCC[C@@H](CC[NH3+])C1 ZINC000224294504 384352798 /nfs/dbraw/zinc/35/27/98/384352798.db2.gz QLLQRKGMXHVZMR-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO CC(C)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000035139990 384401938 /nfs/dbraw/zinc/40/19/38/384401938.db2.gz PBLJIECMOOUWDD-VIFPVBQESA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000648144904 384409983 /nfs/dbraw/zinc/40/99/83/384409983.db2.gz HLVKSBVXNPWWBM-CKYFFXLPSA-N 1 3 235.331 0.408 20 0 BCADHO Cn1cncc1CCN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405481092 384378118 /nfs/dbraw/zinc/37/81/18/384378118.db2.gz NBVUVACIIJHTDN-WDEREUQCSA-N 1 3 222.336 0.678 20 0 BCADHO Cn1cncc1CC[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000405481092 384378123 /nfs/dbraw/zinc/37/81/23/384378123.db2.gz NBVUVACIIJHTDN-WDEREUQCSA-N 1 3 222.336 0.678 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H](N)C(C)(C)C)C1 ZINC000335607763 384386660 /nfs/dbraw/zinc/38/66/60/384386660.db2.gz AKLZCFQQXUNZMT-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@H]([NH3+])CCC(=O)NCCN1CCC[C@H](C)C1 ZINC000248862954 384388083 /nfs/dbraw/zinc/38/80/83/384388083.db2.gz MOWZMTUENHNZKD-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1CNCCC1(F)F)[C@H](C)[NH3+] ZINC000648145236 384444728 /nfs/dbraw/zinc/44/47/28/384444728.db2.gz VBMMZCVLNUREPN-RNJXMRFFSA-N 1 3 235.278 0.083 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)N(C)C)C1 ZINC000082645450 384437513 /nfs/dbraw/zinc/43/75/13/384437513.db2.gz XYBLZQQHYSDWIU-GHMZBOCLSA-N 1 3 227.352 0.524 20 0 BCADHO CC[C@@H](N)C(=O)NCCC[NH+]1CCCC1 ZINC000036871590 384462565 /nfs/dbraw/zinc/46/25/65/384462565.db2.gz RQMPAHMTNNRZKN-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO Cc1cc(CN)cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000648180267 384463047 /nfs/dbraw/zinc/46/30/47/384463047.db2.gz NMLNYZASMJDIAK-ITGUQSILSA-N 1 3 245.326 0.858 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648180587 384477356 /nfs/dbraw/zinc/47/73/56/384477356.db2.gz ITIPILGKDUMDGG-QWRGUYRKSA-N 1 3 239.363 0.761 20 0 BCADHO NC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000178454351 384477945 /nfs/dbraw/zinc/47/79/45/384477945.db2.gz QMLHQFXUVKTPHK-NEPJUHHUSA-N 1 3 233.315 0.207 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000249078915 384480968 /nfs/dbraw/zinc/48/09/68/384480968.db2.gz RIGSWVNLZOPRGP-BJDJZHNGSA-N 1 3 241.379 0.911 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000249097074 384482818 /nfs/dbraw/zinc/48/28/18/384482818.db2.gz UFTBTDXPTRRSOQ-SRVKXCTJSA-N 1 3 241.379 0.770 20 0 BCADHO CN(C(=O)[C@H](N)CC(F)F)[C@@H](C[NH3+])C1CC1 ZINC000648176581 384496592 /nfs/dbraw/zinc/49/65/92/384496592.db2.gz CJFRBENJCJHORA-SFYZADRCSA-N 1 3 235.278 0.165 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[C@@H]2C1 ZINC000648169117 384517746 /nfs/dbraw/zinc/51/77/46/384517746.db2.gz YEQXMUFETLDFFY-LBELIVKGSA-N 1 3 249.358 0.004 20 0 BCADHO C(CN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH2+]C1 ZINC000085542380 384530087 /nfs/dbraw/zinc/53/00/87/384530087.db2.gz NROZDMVKNNRGNB-SDDRHHMPSA-N 1 3 210.321 0.849 20 0 BCADHO CC[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000569607383 384530698 /nfs/dbraw/zinc/53/06/98/384530698.db2.gz NGDYZLQYNOTOKQ-WDEREUQCSA-N 1 3 233.315 0.640 20 0 BCADHO CC(C)C[C@@H](C[NH3+])NC(=O)CN(C)C(C)C ZINC000236628653 384541789 /nfs/dbraw/zinc/54/17/89/384541789.db2.gz IEMZVEDCPAOTMG-NSHDSACASA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)N(C)CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000236649325 384543806 /nfs/dbraw/zinc/54/38/06/384543806.db2.gz WTWFPQUMMBQKAM-JTQLQIEISA-N 1 3 213.325 0.180 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236648136 384538799 /nfs/dbraw/zinc/53/87/99/384538799.db2.gz DIJJLRJPVZJVGB-NEPJUHHUSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000236786990 384570997 /nfs/dbraw/zinc/57/09/97/384570997.db2.gz WODLEYTUKVXNSW-TUAOUCFPSA-N 1 3 241.379 0.959 20 0 BCADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](N)C(C)C ZINC000236837587 384591148 /nfs/dbraw/zinc/59/11/48/384591148.db2.gz CDTSNXIOCGSFLA-MNOVXSKESA-N 1 3 229.368 0.802 20 0 BCADHO CCN(CC)CC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)O ZINC000647530373 384609581 /nfs/dbraw/zinc/60/95/81/384609581.db2.gz AOINIOVZZQSQEU-QJPTWQEYSA-N 1 3 232.368 0.438 20 0 BCADHO N[C@H](CC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178806574 384619115 /nfs/dbraw/zinc/61/91/15/384619115.db2.gz QWVGOQCVOPZVNA-WCQYABFASA-N 1 3 247.342 0.884 20 0 BCADHO CCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309803615 384627903 /nfs/dbraw/zinc/62/79/03/384627903.db2.gz RPMIYGFLTCBJOD-UWVGGRQHSA-N 1 3 213.325 0.372 20 0 BCADHO CC(C)([NH3+])C(=O)N1CCN2CCC[C@@H]2C1 ZINC000040923615 384631093 /nfs/dbraw/zinc/63/10/93/384631093.db2.gz XVMCPHYJQZTEJK-SECBINFHSA-N 1 3 211.309 0.030 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOC[C@H]1CCCO1 ZINC000569349544 384637829 /nfs/dbraw/zinc/63/78/29/384637829.db2.gz LLZNAMVQXCSXOI-XQQFMLRXSA-N 1 3 242.363 0.899 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCOC[C@H]1CCCO1 ZINC000569349544 384637839 /nfs/dbraw/zinc/63/78/39/384637839.db2.gz LLZNAMVQXCSXOI-XQQFMLRXSA-N 1 3 242.363 0.899 20 0 BCADHO Cc1[nH]ncc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533496 384642821 /nfs/dbraw/zinc/64/28/21/384642821.db2.gz STXBKCFLDGXODR-ZYHUDNBSSA-N 1 3 220.320 0.902 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000449603444 384685985 /nfs/dbraw/zinc/68/59/85/384685985.db2.gz QUGQRAXEWMLJDR-ZNSHCXBVSA-N 1 3 227.352 0.711 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000086932341 384720360 /nfs/dbraw/zinc/72/03/60/384720360.db2.gz MHILTEGARHRASF-KXUCPTDWSA-N 1 3 211.309 0.029 20 0 BCADHO C[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000086932341 384720365 /nfs/dbraw/zinc/72/03/65/384720365.db2.gz MHILTEGARHRASF-KXUCPTDWSA-N 1 3 211.309 0.029 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000054072627 384727981 /nfs/dbraw/zinc/72/79/81/384727981.db2.gz RFBNYSPUEOMWFN-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185969 384739481 /nfs/dbraw/zinc/73/94/81/384739481.db2.gz KOTGDVYJRLGBOL-VHSXEESVSA-N 1 3 225.336 0.515 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@H](N)Cc1ccccc1 ZINC000648188009 384799493 /nfs/dbraw/zinc/79/94/93/384799493.db2.gz LAGKJCJKYFVSGU-NQBHXWOUSA-N 1 3 249.358 0.798 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC1)C[NH+]1CCCC1 ZINC000083835988 384800285 /nfs/dbraw/zinc/80/02/85/384800285.db2.gz NFIXGDWMYXQHFV-JTQLQIEISA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000648187951 384801090 /nfs/dbraw/zinc/80/10/90/384801090.db2.gz GJRLBAGUQXINQP-DJLDLDEBSA-N 1 3 201.314 0.212 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000648190280 384802842 /nfs/dbraw/zinc/80/28/42/384802842.db2.gz NFIYJZGCNCOKDS-YIZRAAEISA-N 1 3 213.325 0.226 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)N(C)C ZINC000368199270 384805594 /nfs/dbraw/zinc/80/55/94/384805594.db2.gz FPJFBPPQNJPLMG-GARJFASQSA-N 1 3 245.342 0.389 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000236902326 384808344 /nfs/dbraw/zinc/80/83/44/384808344.db2.gz IFHJPLVADUWMGF-LLVKDONJSA-N 1 3 241.379 0.914 20 0 BCADHO CC[NH+](CC)C[C@H]1CCN(C(=O)CNC)C1 ZINC000236902483 384808499 /nfs/dbraw/zinc/80/84/99/384808499.db2.gz JEGPTAZUYCFFLG-LLVKDONJSA-N 1 3 227.352 0.396 20 0 BCADHO C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648205932 384840525 /nfs/dbraw/zinc/84/05/25/384840525.db2.gz PATMRZPAYXYNPJ-DTWKUNHWSA-N 1 3 211.309 0.125 20 0 BCADHO O=C(CNC1CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648210159 384855624 /nfs/dbraw/zinc/85/56/24/384855624.db2.gz LJLCOSUETMLRSD-LLVKDONJSA-N 1 3 237.347 0.529 20 0 BCADHO CCN(CC)CC(=O)NCC[N@H+](CC)C1CC1 ZINC000101957403 384904227 /nfs/dbraw/zinc/90/42/27/384904227.db2.gz KYBAHHWBSDQWLT-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CCN(CC)CC(=O)NCC[N@@H+](CC)C1CC1 ZINC000101957403 384904231 /nfs/dbraw/zinc/90/42/31/384904231.db2.gz KYBAHHWBSDQWLT-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CN(C(=O)[C@@H]1NCCCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000565765479 384959106 /nfs/dbraw/zinc/95/91/06/384959106.db2.gz QXZNKYMAZAYEMB-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000257755551 384924513 /nfs/dbraw/zinc/92/45/13/384924513.db2.gz ZYGASYFJVMVNSQ-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@H](O)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000115739208 384937545 /nfs/dbraw/zinc/93/75/45/384937545.db2.gz DDHJVNVMDLZAAK-ZDUSSCGKSA-N 1 3 244.379 0.536 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023897 384992945 /nfs/dbraw/zinc/99/29/45/384992945.db2.gz MBDZZULCUKOODP-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023897 384992950 /nfs/dbraw/zinc/99/29/50/384992950.db2.gz MBDZZULCUKOODP-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000037023748 384995675 /nfs/dbraw/zinc/99/56/75/384995675.db2.gz ZAMSGQAZDDQKKC-IJLUTSLNSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@H](N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000037023748 384995682 /nfs/dbraw/zinc/99/56/82/384995682.db2.gz ZAMSGQAZDDQKKC-IJLUTSLNSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH+](C)CCOCCNCc1ccns1 ZINC000404451968 385000123 /nfs/dbraw/zinc/00/01/23/385000123.db2.gz JKSZOUYAMSUWBC-UHFFFAOYSA-N 1 3 229.349 0.811 20 0 BCADHO CCN(CC)CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000129779609 385010925 /nfs/dbraw/zinc/01/09/25/385010925.db2.gz LMCBDJDJOIDCDV-NSHDSACASA-N 1 3 227.352 0.444 20 0 BCADHO C[C@H](O)C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000644561683 384961400 /nfs/dbraw/zinc/96/14/00/384961400.db2.gz DZQDKJRUHMHPKS-NWDGAFQWSA-N 1 3 241.379 0.125 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC[NH+](CC)CC ZINC000037481196 385056209 /nfs/dbraw/zinc/05/62/09/385056209.db2.gz SWOSLTKPBNHIDP-GFCCVEGCSA-N 1 3 229.368 0.962 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CNCCC1(F)F ZINC000647640671 385069828 /nfs/dbraw/zinc/06/98/28/385069828.db2.gz YBYITBLRIMAYRR-BDAKNGLRSA-N 1 3 247.289 0.099 20 0 BCADHO CC[C@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000336327383 385082298 /nfs/dbraw/zinc/08/22/98/385082298.db2.gz XNJZZJUFLMMVEP-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000644639710 385043304 /nfs/dbraw/zinc/04/33/04/385043304.db2.gz RDUJBAVSNVKKDE-GFCCVEGCSA-N 1 3 243.395 0.373 20 0 BCADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](N)CC(F)F)C1 ZINC000310411382 385045324 /nfs/dbraw/zinc/04/53/24/385045324.db2.gz WUWOIVASYZMEOW-RKDXNWHRSA-N 1 3 249.305 0.522 20 0 BCADHO NC(C(=O)N[C@@H]1CCC[NH2+]CC1)C(F)(F)F ZINC000646984992 385111566 /nfs/dbraw/zinc/11/15/66/385111566.db2.gz IBMXJMGUFATQGG-RQJHMYQMSA-N 1 3 239.241 0.134 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646994016 385122795 /nfs/dbraw/zinc/12/27/95/385122795.db2.gz RUEOXKBXEVUIAY-SNVBAGLBSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1NCC1(C)C ZINC000647001665 385138385 /nfs/dbraw/zinc/13/83/85/385138385.db2.gz JBELOHLLVKOTMH-KXUCPTDWSA-N 1 3 225.336 0.099 20 0 BCADHO C[N@H+](C[C@@H](O)CN1CCC[C@@H]1CCO)C1CC1 ZINC000310516330 385101873 /nfs/dbraw/zinc/10/18/73/385101873.db2.gz RSXHCUKIDMLBPL-CHWSQXEVSA-N 1 3 242.363 0.288 20 0 BCADHO C[N@@H+](C[C@@H](O)CN1CCC[C@@H]1CCO)C1CC1 ZINC000310516330 385101881 /nfs/dbraw/zinc/10/18/81/385101881.db2.gz RSXHCUKIDMLBPL-CHWSQXEVSA-N 1 3 242.363 0.288 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000647056248 385197430 /nfs/dbraw/zinc/19/74/30/385197430.db2.gz XWGDDLFKXOUSCG-GHMZBOCLSA-N 1 3 239.363 0.618 20 0 BCADHO NC1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000647055944 385197551 /nfs/dbraw/zinc/19/75/51/385197551.db2.gz LLEBSSMGLZDERV-VIFPVBQESA-N 1 3 223.320 0.126 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H](N)C2CCC2)CC[NH2+]1 ZINC000647018318 385143125 /nfs/dbraw/zinc/14/31/25/385143125.db2.gz BLQHRCMNLKQZRZ-FBIMIBRVSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2NCC2(C)C)CC[NH2+]1 ZINC000647018264 385143733 /nfs/dbraw/zinc/14/37/33/385143733.db2.gz XFWVFSASUSNMTF-OPRDCNLKSA-N 1 3 225.336 0.241 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647011701 385145878 /nfs/dbraw/zinc/14/58/78/385145878.db2.gz JAFHMLUIZREBNJ-VXGBXAGGSA-N 1 3 241.379 0.914 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647011699 385146496 /nfs/dbraw/zinc/14/64/96/385146496.db2.gz JAFHMLUIZREBNJ-NWDGAFQWSA-N 1 3 241.379 0.914 20 0 BCADHO CN(CCNC(=O)C1(C[NH3+])CCCC1)C1CC1 ZINC000061995815 385148515 /nfs/dbraw/zinc/14/85/15/385148515.db2.gz WXXQANMDOBDZDG-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000647021358 385150396 /nfs/dbraw/zinc/15/03/96/385150396.db2.gz LKRREZLJYLEGNY-CABZTGNLSA-N 1 3 233.315 0.337 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000647021357 385151663 /nfs/dbraw/zinc/15/16/63/385151663.db2.gz LKRREZLJYLEGNY-BXKDBHETSA-N 1 3 233.315 0.337 20 0 BCADHO C[C@H]([NH3+])CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000647022839 385156024 /nfs/dbraw/zinc/15/60/24/385156024.db2.gz HXVAJJKTSYGZFU-GZMMTYOYSA-N 1 3 239.294 0.331 20 0 BCADHO N[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)C1CCC1 ZINC000647026808 385160275 /nfs/dbraw/zinc/16/02/75/385160275.db2.gz VYYNACVNESVQTN-PWSUYJOCSA-N 1 3 239.363 0.701 20 0 BCADHO N[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)C1CCC1 ZINC000647026807 385160365 /nfs/dbraw/zinc/16/03/65/385160365.db2.gz VYYNACVNESVQTN-JQWIXIFHSA-N 1 3 239.363 0.701 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647059085 385201298 /nfs/dbraw/zinc/20/12/98/385201298.db2.gz PXTAJSHUDUOMEL-TUAOUCFPSA-N 1 3 239.363 0.428 20 0 BCADHO C[C@@H](CCC[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000647064684 385209600 /nfs/dbraw/zinc/20/96/00/385209600.db2.gz PFYXVCANMDKJOM-IUCAKERBSA-N 1 3 213.325 0.228 20 0 BCADHO C[C@H](CCC[NH3+])NC(=O)[C@@H]1NCC1(C)C ZINC000647064682 385211187 /nfs/dbraw/zinc/21/11/87/385211187.db2.gz PFYXVCANMDKJOM-BDAKNGLRSA-N 1 3 213.325 0.228 20 0 BCADHO CC(C)([NH3+])C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000044726693 385223636 /nfs/dbraw/zinc/22/36/36/385223636.db2.gz RYDNDFTZRBMZMT-MRVPVSSYSA-N 1 3 211.309 0.077 20 0 BCADHO CCOCCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164662069 385223665 /nfs/dbraw/zinc/22/36/65/385223665.db2.gz FTNAENCCEWSWIA-WDEREUQCSA-N 1 3 200.326 0.940 20 0 BCADHO C[NH+](C)CCN(C(=O)CN)c1ccccc1 ZINC000166204462 385227515 /nfs/dbraw/zinc/22/75/15/385227515.db2.gz OMJJAQWVZMXDTR-UHFFFAOYSA-N 1 3 221.304 0.540 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000037643492 385234761 /nfs/dbraw/zinc/23/47/61/385234761.db2.gz WLVYKVOWVDVWSN-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@@](C)(N)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000037643492 385234766 /nfs/dbraw/zinc/23/47/66/385234766.db2.gz WLVYKVOWVDVWSN-WCQYABFASA-N 1 3 241.379 0.962 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000157641397 385238354 /nfs/dbraw/zinc/23/83/54/385238354.db2.gz DOHIBUUHHBWMCR-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@@H]([NH3+])C3)[C@H]2C1 ZINC000569124541 385240205 /nfs/dbraw/zinc/24/02/05/385240205.db2.gz SJMYKKQYBBYCML-WYUUTHIRSA-N 1 3 237.347 0.276 20 0 BCADHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000227811202 385247193 /nfs/dbraw/zinc/24/71/93/385247193.db2.gz XBJDOLQEDCXNHU-QJPTWQEYSA-N 1 3 237.347 0.420 20 0 BCADHO CC(C)C[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000308885463 385250243 /nfs/dbraw/zinc/25/02/43/385250243.db2.gz VRXBGXWTLGDBEB-BDAKNGLRSA-N 1 3 201.314 0.071 20 0 BCADHO CC[NH+](CC)CCCN[C@H](C)CC(N)=O ZINC000120343948 385307692 /nfs/dbraw/zinc/30/76/92/385307692.db2.gz DJEJBBFLUKRNKW-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO CCN(CC)CCC[NH2+][C@H](C)CC(N)=O ZINC000120343948 385307696 /nfs/dbraw/zinc/30/76/96/385307696.db2.gz DJEJBBFLUKRNKW-SNVBAGLBSA-N 1 3 215.341 0.572 20 0 BCADHO C[C@H](N)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000157931753 385314647 /nfs/dbraw/zinc/31/46/47/385314647.db2.gz AONHIQURNNQCSN-WHXUTIOJSA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCC([NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000037887371 385321314 /nfs/dbraw/zinc/32/13/14/385321314.db2.gz ANYBVQLMLNVZLW-ZDUSSCGKSA-N 1 3 241.379 0.127 20 0 BCADHO Cc1cn[nH]c1CN(C)CCN1CC[NH2+]CC1 ZINC000647492789 385298666 /nfs/dbraw/zinc/29/86/66/385298666.db2.gz ZLJZWIMHMYUFTC-UHFFFAOYSA-N 1 3 237.351 0.055 20 0 BCADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)N ZINC000167197425 385301877 /nfs/dbraw/zinc/30/18/77/385301877.db2.gz MBTIKOZIVUQAAG-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)N ZINC000167197425 385301882 /nfs/dbraw/zinc/30/18/82/385301882.db2.gz MBTIKOZIVUQAAG-BDAKNGLRSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H](CC(N)=O)[NH2+]CC1=CCN(C)CC1 ZINC000308978475 385329433 /nfs/dbraw/zinc/32/94/33/385329433.db2.gz HGPODINVEMRORY-SECBINFHSA-N 1 3 211.309 0.102 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@H+](CCn2cncn2)[C@@H]1C ZINC000316800870 385329985 /nfs/dbraw/zinc/32/99/85/385329985.db2.gz HFOTYJRANAIMCP-UTUOFQBUSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H]1CC[C@@H](CN)[N@@H+](CCn2cncn2)[C@@H]1C ZINC000316800870 385329992 /nfs/dbraw/zinc/32/99/92/385329992.db2.gz HFOTYJRANAIMCP-UTUOFQBUSA-N 1 3 237.351 0.726 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000164959275 385330409 /nfs/dbraw/zinc/33/04/09/385330409.db2.gz FIFDPUWAZYWIIA-PWSUYJOCSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N(C)C1CCN(C)CC1 ZINC000164992507 385334823 /nfs/dbraw/zinc/33/48/23/385334823.db2.gz YTJDKMQWBPUULC-UWVGGRQHSA-N 1 3 227.352 0.522 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000131762101 385358214 /nfs/dbraw/zinc/35/82/14/385358214.db2.gz PXDAWYOGMIMZEK-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178406387 385366589 /nfs/dbraw/zinc/36/65/89/385366589.db2.gz GZQSHSCCIZROTM-STQMWFEESA-N 1 3 247.342 0.425 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000179149088 385368546 /nfs/dbraw/zinc/36/85/46/385368546.db2.gz JSUDFTXQTLKFAK-QJPTWQEYSA-N 1 3 241.379 0.783 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@H](CN)c1ccccc1 ZINC000179169768 385371386 /nfs/dbraw/zinc/37/13/86/385371386.db2.gz URDMMJXHZGMVCT-DGCLKSJQSA-N 1 3 249.358 0.701 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000644080411 385424366 /nfs/dbraw/zinc/42/43/66/385424366.db2.gz MEXZVDQULNMGTK-VHSXEESVSA-N 1 3 225.336 0.243 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000644065952 385413396 /nfs/dbraw/zinc/41/33/96/385413396.db2.gz ZEWGQWVQNATJAY-HBNTYKKESA-N 1 3 239.363 0.618 20 0 BCADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000364648192 385484370 /nfs/dbraw/zinc/48/43/70/385484370.db2.gz REOQVJLIUQHQRX-GFCCVEGCSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@]1(CNC(=O)[C@@H]2CCCCN2)CCC[NH2+]C1 ZINC000336560479 385504749 /nfs/dbraw/zinc/50/47/49/385504749.db2.gz PJXFOOVFIBEHFS-AAEUAGOBSA-N 1 3 239.363 0.634 20 0 BCADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106364053 385506501 /nfs/dbraw/zinc/50/65/01/385506501.db2.gz AZTRFRLKLYITQQ-LBPRGKRZSA-N 1 3 241.379 0.879 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000644127318 385507784 /nfs/dbraw/zinc/50/77/84/385507784.db2.gz OHSWIQPNTJIHRB-WDEREUQCSA-N 1 3 239.363 0.714 20 0 BCADHO CCC[NH+]1CCC(NC[C@]2(O)CCOC2)CC1 ZINC000183391102 385539881 /nfs/dbraw/zinc/53/98/81/385539881.db2.gz GMCRUYGLKASANF-CYBMUJFWSA-N 1 3 242.363 0.602 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142161 385525957 /nfs/dbraw/zinc/52/59/57/385525957.db2.gz DMRWPVCRGZNCCK-NAKRPEOUSA-N 1 3 243.326 0.191 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000364991151 385557241 /nfs/dbraw/zinc/55/72/41/385557241.db2.gz YFSZXVXATLVWDQ-TUAOUCFPSA-N 1 3 239.363 0.522 20 0 BCADHO CC(C)[C@H](N)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000364991151 385557244 /nfs/dbraw/zinc/55/72/44/385557244.db2.gz YFSZXVXATLVWDQ-TUAOUCFPSA-N 1 3 239.363 0.522 20 0 BCADHO COC(=O)CCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000309381421 385558756 /nfs/dbraw/zinc/55/87/56/385558756.db2.gz RODXZURHJPLDEI-DCAQKATOSA-N 1 3 226.320 0.609 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000309419950 385579570 /nfs/dbraw/zinc/57/95/70/385579570.db2.gz JSRPWSHJEHBYNT-HTQZYQBOSA-N 1 3 207.277 0.992 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@]2(CCC[C@@H]2[NH3+])C1 ZINC000309455644 385588271 /nfs/dbraw/zinc/58/82/71/385588271.db2.gz NPGSRABAVLCKOQ-QXEWZRGKSA-N 1 3 211.309 0.064 20 0 BCADHO CN(C)C1(CNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000493655544 385589725 /nfs/dbraw/zinc/58/97/25/385589725.db2.gz GQFAQBMUGLGHBO-AATRIKPKSA-N 1 3 225.336 0.315 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CNC1CC1 ZINC000182297001 385644327 /nfs/dbraw/zinc/64/43/27/385644327.db2.gz NVFUAVBVSMXLGC-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CNC1CC1 ZINC000182297001 385644335 /nfs/dbraw/zinc/64/43/35/385644335.db2.gz NVFUAVBVSMXLGC-PWSUYJOCSA-N 1 3 239.363 0.537 20 0 BCADHO CCN(CC)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000337581299 385717960 /nfs/dbraw/zinc/71/79/60/385717960.db2.gz BVQULWNVAVIXSK-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH3+] ZINC000309594587 385718119 /nfs/dbraw/zinc/71/81/19/385718119.db2.gz HZYOOHBOFVHCSE-SECBINFHSA-N 1 3 201.314 0.180 20 0 BCADHO CCN(CC)CC(=O)NC(C)(C)CCC[NH3+] ZINC000340133454 385736722 /nfs/dbraw/zinc/73/67/22/385736722.db2.gz BJPMQFASTDSRTL-UHFFFAOYSA-N 1 3 229.368 0.962 20 0 BCADHO CC[C@@H](Cn1cncn1)NCCC[NH+](C)C ZINC000336742442 385757095 /nfs/dbraw/zinc/75/70/95/385757095.db2.gz SBYLPDVTNMQVOY-NSHDSACASA-N 1 3 225.340 0.598 20 0 BCADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)N)c1 ZINC000335241920 385724454 /nfs/dbraw/zinc/72/44/54/385724454.db2.gz RGVKBJQJHFUCMD-QMMMGPOBSA-N 1 3 207.277 0.739 20 0 BCADHO Cn1cnc(CCC[NH2+][C@H]2CCC[C@@H]2CN)n1 ZINC000647801386 385808910 /nfs/dbraw/zinc/80/89/10/385808910.db2.gz UJIUQCASSQZIOG-MNOVXSKESA-N 1 3 237.351 0.465 20 0 BCADHO CC(C)[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186899028 385812140 /nfs/dbraw/zinc/81/21/40/385812140.db2.gz JILBOESVBQFCOV-AEJSXWLSSA-N 1 3 213.325 0.084 20 0 BCADHO CN(CCCc1ccccc1)C[C@H](O)C[NH3+] ZINC000336737823 385824236 /nfs/dbraw/zinc/82/42/36/385824236.db2.gz JSUFIRCMTPXYQS-CYBMUJFWSA-N 1 3 222.332 0.871 20 0 BCADHO C[N@H+](CCCc1ccccc1)C[C@H](O)CN ZINC000336737823 385824242 /nfs/dbraw/zinc/82/42/42/385824242.db2.gz JSUFIRCMTPXYQS-CYBMUJFWSA-N 1 3 222.332 0.871 20 0 BCADHO C[N@@H+](CCCc1ccccc1)C[C@H](O)CN ZINC000336737823 385824246 /nfs/dbraw/zinc/82/42/46/385824246.db2.gz JSUFIRCMTPXYQS-CYBMUJFWSA-N 1 3 222.332 0.871 20 0 BCADHO CC[NH2+]CCCNC(=O)C12CCCN1CCC2 ZINC000516649534 385846009 /nfs/dbraw/zinc/84/60/09/385846009.db2.gz RETVUKBIQBGITL-UHFFFAOYSA-N 1 3 239.363 0.731 20 0 BCADHO CC1(C)CNCCN1C(=O)CC1CC[NH2+]CC1 ZINC000647839813 385887441 /nfs/dbraw/zinc/88/74/41/385887441.db2.gz FWRVVGRIKFCJPJ-UHFFFAOYSA-N 1 3 239.363 0.587 20 0 BCADHO CC1(C)CNCCN1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000647841428 385888840 /nfs/dbraw/zinc/88/88/40/385888840.db2.gz SFWKLMRBVVSMBD-JTQLQIEISA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]1NCCN(C(=O)c2ccc(C[NH3+])cc2)[C@H]1C ZINC000262827702 385891602 /nfs/dbraw/zinc/89/16/02/385891602.db2.gz UJJTXRYHJQRMBA-MNOVXSKESA-N 1 3 247.342 0.968 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@H]1CNCCC1(F)F ZINC000647843195 385893561 /nfs/dbraw/zinc/89/35/61/385893561.db2.gz GQBZNUAJRODNIM-SSDOTTSWSA-N 1 3 235.278 0.085 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000336746185 385917089 /nfs/dbraw/zinc/91/70/89/385917089.db2.gz RECZLESZQVFPKN-AEJSXWLSSA-N 1 3 213.325 0.323 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@@H](CN)c1ccccc1 ZINC000294929956 385918374 /nfs/dbraw/zinc/91/83/74/385918374.db2.gz DCVCSFGHKQBHGR-NSHDSACASA-N 1 3 235.331 0.582 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000414004923 385922509 /nfs/dbraw/zinc/92/25/09/385922509.db2.gz KTMNMIZCBJMQDJ-WOPDTQHZSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000414004923 385922515 /nfs/dbraw/zinc/92/25/15/385922515.db2.gz KTMNMIZCBJMQDJ-WOPDTQHZSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000414004921 385922887 /nfs/dbraw/zinc/92/28/87/385922887.db2.gz KTMNMIZCBJMQDJ-SDDRHHMPSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000414004921 385922890 /nfs/dbraw/zinc/92/28/90/385922890.db2.gz KTMNMIZCBJMQDJ-SDDRHHMPSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000414004922 385923053 /nfs/dbraw/zinc/92/30/53/385923053.db2.gz KTMNMIZCBJMQDJ-SRVKXCTJSA-N 1 3 239.363 0.395 20 0 BCADHO CCN1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000414004922 385923055 /nfs/dbraw/zinc/92/30/55/385923055.db2.gz KTMNMIZCBJMQDJ-SRVKXCTJSA-N 1 3 239.363 0.395 20 0 BCADHO N[C@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000647767588 385881026 /nfs/dbraw/zinc/88/10/26/385881026.db2.gz UOKRXUOEDPALIR-XQHKEYJVSA-N 1 3 245.326 0.268 20 0 BCADHO N[C@H](Cc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000295167346 385980429 /nfs/dbraw/zinc/98/04/29/385980429.db2.gz LBBWVXNLTHRHFD-OLZOCXBDSA-N 1 3 247.342 0.410 20 0 BCADHO C[C@@](C[NH3+])(NCCOC[C@H]1CCCO1)C1CC1 ZINC000647867941 385986318 /nfs/dbraw/zinc/98/63/18/385986318.db2.gz WNLVBEULPARIIM-OLZOCXBDSA-N 1 3 242.363 0.899 20 0 BCADHO C[C@@](C[NH3+])(NCCOC[C@@H]1CCCO1)C1CC1 ZINC000647867943 385986919 /nfs/dbraw/zinc/98/69/19/385986919.db2.gz WNLVBEULPARIIM-STQMWFEESA-N 1 3 242.363 0.899 20 0 BCADHO CC(C)N(C)C(=O)[C@H](C)[NH2+]CC1(N)CCC1 ZINC000342120939 385933300 /nfs/dbraw/zinc/93/33/00/385933300.db2.gz AKSXUANIEODCSY-JTQLQIEISA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@@H](C(=O)NCC[N@H+](C)C1CC1)N(C)C ZINC000338269353 385934337 /nfs/dbraw/zinc/93/43/37/385934337.db2.gz CSVMASSHHGEPGW-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@@H](C(=O)NCC[N@@H+](C)C1CC1)N(C)C ZINC000338269353 385934343 /nfs/dbraw/zinc/93/43/43/385934343.db2.gz CSVMASSHHGEPGW-NSHDSACASA-N 1 3 227.352 0.537 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2(C[NH3+])CC2)[C@H]1C ZINC000335045139 385938030 /nfs/dbraw/zinc/93/80/30/385938030.db2.gz KTUWLCBVKCCYEX-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO COCCNCCNC[C@H]([NH3+])CC(C)C ZINC000414879823 385958647 /nfs/dbraw/zinc/95/86/47/385958647.db2.gz IICCHMLZRDHBDO-LLVKDONJSA-N 1 3 217.357 0.185 20 0 BCADHO N[C@H](CC(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000263226047 385959436 /nfs/dbraw/zinc/95/94/36/385959436.db2.gz CFWRVUHBXLWIDB-CHWSQXEVSA-N 1 3 247.342 0.930 20 0 BCADHO C[C@H](C[NH3+])NC(=O)[C@H](C)[C@H](N)c1ccccc1 ZINC000295072643 385960368 /nfs/dbraw/zinc/96/03/68/385960368.db2.gz HMWADAHRFQJFED-FOGDFJRCSA-N 1 3 235.331 0.786 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N1C[C@@H](N)Cc2ccccc21 ZINC000335059964 385961155 /nfs/dbraw/zinc/96/11/55/385961155.db2.gz GASDDPRONFLTRX-PWSUYJOCSA-N 1 3 247.342 0.759 20 0 BCADHO CC(C)[C@H]1CN(C(=O)CCC2C[NH2+]C2)CCN1 ZINC000638196935 385965063 /nfs/dbraw/zinc/96/50/63/385965063.db2.gz RMZDPWSHRFFENJ-GFCCVEGCSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000111612043 385969130 /nfs/dbraw/zinc/96/91/30/385969130.db2.gz FDJVUESBGIHKLE-NSHDSACASA-N 1 3 239.363 0.668 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H](CN)c1ccccc1 ZINC000295267826 386002923 /nfs/dbraw/zinc/00/29/23/386002923.db2.gz RVJZAKVSSCEXPX-VXGBXAGGSA-N 1 3 235.331 0.582 20 0 BCADHO N[C@H]1Cc2ccccc2N(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000335061292 386026296 /nfs/dbraw/zinc/02/62/96/386026296.db2.gz MEOXOGVLPCEQBT-RYUDHWBXSA-N 1 3 245.326 0.513 20 0 BCADHO C[C@H](C[NH3+])C(=O)NCc1ccccc1CN(C)C ZINC000054344719 386119937 /nfs/dbraw/zinc/11/99/37/386119937.db2.gz FXJJGDARPZEPNH-LLVKDONJSA-N 1 3 249.358 0.959 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310083673 386084434 /nfs/dbraw/zinc/08/44/34/386084434.db2.gz FKSUMFAVRIDKOA-CMPLNLGQSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000310083676 386084825 /nfs/dbraw/zinc/08/48/25/386084825.db2.gz FKSUMFAVRIDKOA-ZYHUDNBSSA-N 1 3 239.363 0.666 20 0 BCADHO CCN1CC[C@H]([NH2+]CCNCCOC)[C@H](C)C1 ZINC000414887612 386091026 /nfs/dbraw/zinc/09/10/26/386091026.db2.gz QSFBLTPZUJRKRE-OLZOCXBDSA-N 1 3 243.395 0.542 20 0 BCADHO C[C@@H]1C[C@@H](CN(C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674207 386145800 /nfs/dbraw/zinc/14/58/00/386145800.db2.gz DHYQIGNQUGHCKR-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]1C[C@H](CN(C)CC(=O)NC2CC2)CC[NH2+]1 ZINC000414674212 386146974 /nfs/dbraw/zinc/14/69/74/386146974.db2.gz DHYQIGNQUGHCKR-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676070 386148615 /nfs/dbraw/zinc/14/86/15/386148615.db2.gz USCMLDZZFVVJBL-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414676070 386148623 /nfs/dbraw/zinc/14/86/23/386148623.db2.gz USCMLDZZFVVJBL-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)C1CCN(C)CC1 ZINC000346114510 386153243 /nfs/dbraw/zinc/15/32/43/386153243.db2.gz BPUVRLWKIUKRQE-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335274548 386153590 /nfs/dbraw/zinc/15/35/90/386153590.db2.gz BJRPGDHDBUETKV-UWVGGRQHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346181843 386160950 /nfs/dbraw/zinc/16/09/50/386160950.db2.gz BVNMDPATBBTYAA-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346181843 386160953 /nfs/dbraw/zinc/16/09/53/386160953.db2.gz BVNMDPATBBTYAA-UTUOFQBUSA-N 1 3 241.379 0.783 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC000346141777 386164779 /nfs/dbraw/zinc/16/47/79/386164779.db2.gz RJYATBBAACWZIA-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO COC(=O)C(C)(C)CCN[C@@H](C)CC[NH3+] ZINC000414894365 386173789 /nfs/dbraw/zinc/17/37/89/386173789.db2.gz LFQFSARXHJTDMP-VIFPVBQESA-N 1 3 216.325 0.903 20 0 BCADHO COC(=O)C(C)(C)CC[NH2+][C@@H](C)CCN ZINC000414894365 386173792 /nfs/dbraw/zinc/17/37/92/386173792.db2.gz LFQFSARXHJTDMP-VIFPVBQESA-N 1 3 216.325 0.903 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000346229975 386176354 /nfs/dbraw/zinc/17/63/54/386176354.db2.gz SUGRZBMCZUUYGI-IJLUTSLNSA-N 1 3 241.379 0.926 20 0 BCADHO CCN(CCNC(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000417490639 386143404 /nfs/dbraw/zinc/14/34/04/386143404.db2.gz RWGYOHMQIMPTLD-JTQLQIEISA-N 1 3 242.367 0.365 20 0 BCADHO [NH3+]CCCN1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000414708539 386225382 /nfs/dbraw/zinc/22/53/82/386225382.db2.gz QPOQNWAZYXGYHF-GFCCVEGCSA-N 1 3 239.363 0.573 20 0 BCADHO NC(=O)CC[C@@H]1CCCN(C[C@H]2CC[NH2+]C2)C1 ZINC000647882721 386235982 /nfs/dbraw/zinc/23/59/82/386235982.db2.gz VNBPFCWZYDOAEH-RYUDHWBXSA-N 1 3 239.363 0.573 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)CCN1C ZINC000132938614 386260799 /nfs/dbraw/zinc/26/07/99/386260799.db2.gz XFKIVMXRIBYQGM-NQBHXWOUSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH+](C)C)N(C)C ZINC000338964653 386193284 /nfs/dbraw/zinc/19/32/84/386193284.db2.gz QWLXXPOYHDGYIQ-QWRGUYRKSA-N 1 3 229.368 0.783 20 0 BCADHO CC[C@@H]1C(=O)NCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695140 386198086 /nfs/dbraw/zinc/19/80/86/386198086.db2.gz OEBDJPSKICXIGC-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO COC(=O)[C@H](C)CN(CCC[NH3+])C1CC1 ZINC000414698377 386198864 /nfs/dbraw/zinc/19/88/64/386198864.db2.gz DEJADVCXQNVNKS-SECBINFHSA-N 1 3 214.309 0.609 20 0 BCADHO CC(C)C[C@H]([NH3+])CN[C@@H]1CNCCC1(F)F ZINC000414998415 386200177 /nfs/dbraw/zinc/20/01/77/386200177.db2.gz IZANJZWUYRDNFI-VHSXEESVSA-N 1 3 235.322 0.947 20 0 BCADHO CN1CCC[C@@H](C[N@H+](C)C[C@@H]2COCCO2)C1 ZINC000336676046 386324510 /nfs/dbraw/zinc/32/45/10/386324510.db2.gz ALPNGXUVNOPNEL-CHWSQXEVSA-N 1 3 242.363 0.675 20 0 BCADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@H]2COCCO2)C1 ZINC000336676046 386324515 /nfs/dbraw/zinc/32/45/15/386324515.db2.gz ALPNGXUVNOPNEL-CHWSQXEVSA-N 1 3 242.363 0.675 20 0 BCADHO CN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000091395558 386296265 /nfs/dbraw/zinc/29/62/65/386296265.db2.gz CSFWBTFQVVCCQT-RYUDHWBXSA-N 1 3 239.363 0.681 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000091394751 386296525 /nfs/dbraw/zinc/29/65/25/386296525.db2.gz QUFBNGMEXYDFKV-DGCLKSJQSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H](O)C[N@H+](C)CCCN(C)CCN(C)C ZINC000339205144 386301457 /nfs/dbraw/zinc/30/14/57/386301457.db2.gz NFEBMCAOKXRWEL-LBPRGKRZSA-N 1 3 231.384 0.183 20 0 BCADHO C[C@H](O)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000339205144 386301459 /nfs/dbraw/zinc/30/14/59/386301459.db2.gz NFEBMCAOKXRWEL-LBPRGKRZSA-N 1 3 231.384 0.183 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CCN1[C@@H](CO)CC[C@H]1CO ZINC000347282436 386318613 /nfs/dbraw/zinc/31/86/13/386318613.db2.gz AXNCCSSEMFQACG-UPJWGTAASA-N 1 3 242.363 0.288 20 0 BCADHO C[N@H+]1CCC[C@@H]1CCN1[C@@H](CO)CC[C@H]1CO ZINC000347282436 386318619 /nfs/dbraw/zinc/31/86/19/386318619.db2.gz AXNCCSSEMFQACG-UPJWGTAASA-N 1 3 242.363 0.288 20 0 BCADHO C[C@H](O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336671418 386319410 /nfs/dbraw/zinc/31/94/10/386319410.db2.gz KBIOGNCIAWRGCK-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@H](O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336671418 386319415 /nfs/dbraw/zinc/31/94/15/386319415.db2.gz KBIOGNCIAWRGCK-QWRGUYRKSA-N 1 3 200.326 0.641 20 0 BCADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308441 386269324 /nfs/dbraw/zinc/26/93/24/386269324.db2.gz QPQMTSFRJVEXPT-QWRGUYRKSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1(N(C)C)CC1 ZINC000416308441 386269333 /nfs/dbraw/zinc/26/93/33/386269333.db2.gz QPQMTSFRJVEXPT-QWRGUYRKSA-N 1 3 239.363 0.395 20 0 BCADHO COCCOC[C@@H]1CCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890059 386361257 /nfs/dbraw/zinc/36/12/57/386361257.db2.gz KOPCVVXEGZJTMV-CHWSQXEVSA-N 1 3 242.363 0.581 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CCCN(C)C ZINC000166088082 386365817 /nfs/dbraw/zinc/36/58/17/386365817.db2.gz MUAZWAJHSFOMFR-RYUDHWBXSA-N 1 3 229.368 0.295 20 0 BCADHO NC(=O)C[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1 ZINC000647890089 386367441 /nfs/dbraw/zinc/36/74/41/386367441.db2.gz PJYUTMWPUIFELU-GHMZBOCLSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H](N)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335274550 386330785 /nfs/dbraw/zinc/33/07/85/386330785.db2.gz BJRPGDHDBUETKV-VHSXEESVSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](NCCOCC[NH3+])c1ccccn1 ZINC000647992096 386440470 /nfs/dbraw/zinc/44/04/70/386440470.db2.gz FJKMGDKPIYNLBC-JTQLQIEISA-N 1 3 209.293 0.708 20 0 BCADHO CCCCN(C)CCNC(=O)NCCC[NH2+]C ZINC000417613722 386450365 /nfs/dbraw/zinc/45/03/65/386450365.db2.gz UBIZVQGBBGKNJM-UHFFFAOYSA-N 1 3 244.383 0.627 20 0 BCADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000335279634 386395586 /nfs/dbraw/zinc/39/55/86/386395586.db2.gz JDULHCILWLSLMV-GHMZBOCLSA-N 1 3 225.336 0.468 20 0 BCADHO NC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000237829661 386415460 /nfs/dbraw/zinc/41/54/60/386415460.db2.gz AFDSNTHGKAXDGQ-OLZOCXBDSA-N 1 3 247.342 0.597 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336732894 386430983 /nfs/dbraw/zinc/43/09/83/386430983.db2.gz ZWCWPPDZOOWMKP-YPMHNXCESA-N 1 3 244.379 0.534 20 0 BCADHO CC[C@@H](C)N(CCO)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336732894 386430985 /nfs/dbraw/zinc/43/09/85/386430985.db2.gz ZWCWPPDZOOWMKP-YPMHNXCESA-N 1 3 244.379 0.534 20 0 BCADHO CC[C@H]([NH3+])C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000519402955 386431843 /nfs/dbraw/zinc/43/18/43/386431843.db2.gz MGPLAEDULRTXIL-DCAQKATOSA-N 1 3 225.336 0.276 20 0 BCADHO CCC[NH2+]CCNC(=O)NCCN(C)C1CC1 ZINC000417604130 386434497 /nfs/dbraw/zinc/43/44/97/386434497.db2.gz AVSVMJDUCHXCIR-UHFFFAOYSA-N 1 3 242.367 0.379 20 0 BCADHO CN(CCNC(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000417627037 386466190 /nfs/dbraw/zinc/46/61/90/386466190.db2.gz PCQDWHXRHYMWTQ-UHFFFAOYSA-N 1 3 240.351 0.261 20 0 BCADHO O[C@H]1C[NH2+]C[C@H]1CNC[C@@H]1C[C@H]1c1ccccc1 ZINC000414773452 386467435 /nfs/dbraw/zinc/46/74/35/386467435.db2.gz AKJNNQWATMFGBP-XGUBFFRZSA-N 1 3 246.354 0.960 20 0 BCADHO NC[C@@H]1c2ccccc2CCN1C(=O)CC[NH3+] ZINC000335429002 386484684 /nfs/dbraw/zinc/48/46/84/386484684.db2.gz LFQQQEGNYIZWPW-GFCCVEGCSA-N 1 3 233.315 0.420 20 0 BCADHO C[C@@H](N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000059930744 386486934 /nfs/dbraw/zinc/48/69/34/386486934.db2.gz INXOYHCKSCBKOU-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000335431457 386489932 /nfs/dbraw/zinc/48/99/32/386489932.db2.gz WNGOQHRPAWNUGK-GWCFXTLKSA-N 1 3 247.342 0.666 20 0 BCADHO CNCC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000335432888 386491330 /nfs/dbraw/zinc/49/13/30/386491330.db2.gz FEQXBBBEZXQELS-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CNCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000335432888 386491334 /nfs/dbraw/zinc/49/13/34/386491334.db2.gz FEQXBBBEZXQELS-MNOVXSKESA-N 1 3 225.336 0.149 20 0 BCADHO CC(C)([NH3+])CNC(=O)[C@H]1CNCc2ccccc21 ZINC000335443429 386503723 /nfs/dbraw/zinc/50/37/23/386503723.db2.gz IDIKEOHKLIMRJZ-LBPRGKRZSA-N 1 3 247.342 0.727 20 0 BCADHO C[C@@H](C[NH3+])N(C)C(=O)[C@H]1CNCc2ccccc21 ZINC000335447946 386515230 /nfs/dbraw/zinc/51/52/30/386515230.db2.gz YAQBEIZOWKVFDB-GWCFXTLKSA-N 1 3 247.342 0.679 20 0 BCADHO Cc1cn[nH]c1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000335447268 386515562 /nfs/dbraw/zinc/51/55/62/386515562.db2.gz BRLZPXBOKZHHPS-UWVGGRQHSA-N 1 3 208.309 0.887 20 0 BCADHO Cc1cn[nH]c1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000335448311 386517954 /nfs/dbraw/zinc/51/79/54/386517954.db2.gz MNTKLOFFIMRYKX-VHSXEESVSA-N 1 3 208.309 0.887 20 0 BCADHO CN(CCNC(=O)N1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000331397426 386519892 /nfs/dbraw/zinc/51/98/92/386519892.db2.gz AAEZTZYCFKIZSU-SNVBAGLBSA-N 1 3 240.351 0.213 20 0 BCADHO NC1(C(=O)N2CCC(C[NH3+])CC2)CCC1 ZINC000519645981 386521888 /nfs/dbraw/zinc/52/18/88/386521888.db2.gz ODCVMYJRAWLHTQ-UHFFFAOYSA-N 1 3 211.309 0.065 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000519647792 386524981 /nfs/dbraw/zinc/52/49/81/386524981.db2.gz FXCDCEQUZJCNBG-UTLUCORTSA-N 1 3 215.341 0.603 20 0 BCADHO CCC[C@@](C)([NH3+])C(=O)NCCN(C)CCOC ZINC000061380742 386455627 /nfs/dbraw/zinc/45/56/27/386455627.db2.gz UXUOYTUWAYEYEF-GFCCVEGCSA-N 1 3 245.367 0.198 20 0 BCADHO NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977842 386576944 /nfs/dbraw/zinc/57/69/44/386576944.db2.gz IUQAGSBWMFXDOP-QWRGUYRKSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@H](C(N)=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978235 386577943 /nfs/dbraw/zinc/57/79/43/386577943.db2.gz OUOJOJLATIXLEK-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO COC(=O)C(C)(C)CCN[C@H](C[NH3+])C1CC1 ZINC000414797124 386578846 /nfs/dbraw/zinc/57/88/46/386578846.db2.gz AYRIMYQSDMUOHZ-SNVBAGLBSA-N 1 3 228.336 0.903 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000335417552 386584326 /nfs/dbraw/zinc/58/43/26/386584326.db2.gz NMSBLOFNSNEUSR-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000335416574 386585418 /nfs/dbraw/zinc/58/54/18/386585418.db2.gz HXNFBILGTYTOGR-SECBINFHSA-N 1 3 211.309 0.078 20 0 BCADHO C[C@H](C(=O)N1CC[C@H]([NH3+])C1)N1CCCCCC1 ZINC000237390989 386590604 /nfs/dbraw/zinc/59/06/04/386590604.db2.gz KDKMAJQKHGVSEF-NEPJUHHUSA-N 1 3 239.363 0.811 20 0 BCADHO CO[C@@H]1[C@H](C)[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C12CCC2 ZINC000415047462 386533824 /nfs/dbraw/zinc/53/38/24/386533824.db2.gz YUVJNNAJOYJZOZ-PQCBQTOFSA-N 1 3 236.359 0.997 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)N)C1 ZINC000062972533 386535198 /nfs/dbraw/zinc/53/51/98/386535198.db2.gz GNAKOADYBFZGOT-SNVBAGLBSA-N 1 3 227.352 0.666 20 0 BCADHO CC[C@H]1C[C@H](CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCO1 ZINC000415059471 386540557 /nfs/dbraw/zinc/54/05/57/386540557.db2.gz JHSNZXJHHCWQGD-FHUSYTEZSA-N 1 3 224.348 0.999 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335459721 386541187 /nfs/dbraw/zinc/54/11/87/386541187.db2.gz CHMUIWXSWMYHCR-SCZZXKLOSA-N 1 3 219.288 0.250 20 0 BCADHO NC1(C(=O)Nc2ccc(C[NH3+])cc2)CCC1 ZINC000335463158 386548423 /nfs/dbraw/zinc/54/84/23/386548423.db2.gz PEWAFKSKOZBKBR-UHFFFAOYSA-N 1 3 219.288 0.965 20 0 BCADHO C[C@@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196299 386552714 /nfs/dbraw/zinc/55/27/14/386552714.db2.gz CUWGHFYGJHTBAT-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196299 386552720 /nfs/dbraw/zinc/55/27/20/386552720.db2.gz CUWGHFYGJHTBAT-GHMZBOCLSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)C ZINC000063196296 386553224 /nfs/dbraw/zinc/55/32/24/386553224.db2.gz CUWGHFYGJHTBAT-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000063196296 386553228 /nfs/dbraw/zinc/55/32/28/386553228.db2.gz CUWGHFYGJHTBAT-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(N)CCC1 ZINC000335405860 386563653 /nfs/dbraw/zinc/56/36/53/386563653.db2.gz ILTWRJRDZFPYHO-IUCAKERBSA-N 1 3 211.309 0.125 20 0 BCADHO CN1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136194255 386568343 /nfs/dbraw/zinc/56/83/43/386568343.db2.gz UVICVZVRUOCXCM-ZDUSSCGKSA-N 1 3 239.363 0.729 20 0 BCADHO C[C@H]([NH3+])C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC000070582621 386570584 /nfs/dbraw/zinc/57/05/84/386570584.db2.gz ROMJXFPKZMEMHX-ONGXEEELSA-N 1 3 225.336 0.276 20 0 BCADHO N[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)C1CCC1 ZINC000335410733 386573430 /nfs/dbraw/zinc/57/34/30/386573430.db2.gz SUFDHZUUJNRZAG-ONGXEEELSA-N 1 3 225.336 0.311 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccn(C)c(=O)c2)C1 ZINC000647906589 386635572 /nfs/dbraw/zinc/63/55/72/386635572.db2.gz HDELQMUNJXJOMH-ZYHUDNBSSA-N 1 3 235.331 0.554 20 0 BCADHO C[C@H](O)[C@@H]1CN(C[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000415143397 386638593 /nfs/dbraw/zinc/63/85/93/386638593.db2.gz SMZHTHSANMEWOX-XQHKEYJVSA-N 1 3 242.363 0.456 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000335522457 386663815 /nfs/dbraw/zinc/66/38/15/386663815.db2.gz VKLUHRZUJUCVAB-LLVKDONJSA-N 1 3 227.352 0.524 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000335522578 386664435 /nfs/dbraw/zinc/66/44/35/386664435.db2.gz YFGCIQCUUWLWHM-TXEJJXNPSA-N 1 3 239.363 0.666 20 0 BCADHO CC[C@@H](C(=O)NCCC[NH2+]C)N(CC)CC ZINC000428130444 386666818 /nfs/dbraw/zinc/66/68/18/386666818.db2.gz SURRBSNKBOVKNH-NSHDSACASA-N 1 3 229.368 0.833 20 0 BCADHO CC(C)N1CCCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000335520515 386658952 /nfs/dbraw/zinc/65/89/52/386658952.db2.gz FOTNPKHYNCOYFT-LLVKDONJSA-N 1 3 225.336 0.291 20 0 BCADHO CN(C)C(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000337274147 386689531 /nfs/dbraw/zinc/68/95/31/386689531.db2.gz PNWGNVJCORKARV-UHFFFAOYSA-N 1 3 241.379 0.882 20 0 BCADHO CN(C)C(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000337274147 386689539 /nfs/dbraw/zinc/68/95/39/386689539.db2.gz PNWGNVJCORKARV-UHFFFAOYSA-N 1 3 241.379 0.882 20 0 BCADHO C[C@H]1CCN[C@@H](C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000335471059 386691279 /nfs/dbraw/zinc/69/12/79/386691279.db2.gz BNEHBUZQAHTYEZ-CMPLNLGQSA-N 1 3 237.347 0.410 20 0 BCADHO [NH3+]CCOCCN(CCO)Cc1ccccc1 ZINC000357027156 386693403 /nfs/dbraw/zinc/69/34/03/386693403.db2.gz KEEWMYAIXLMOHJ-UHFFFAOYSA-N 1 3 238.331 0.456 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000520579456 386700551 /nfs/dbraw/zinc/70/05/51/386700551.db2.gz WHWAZAOJVBOIDO-NWDGAFQWSA-N 1 3 227.352 0.701 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638505493 386703646 /nfs/dbraw/zinc/70/36/46/386703646.db2.gz LXPWGQLLQSLWHF-MXWKQRLJSA-N 1 3 239.363 0.761 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)C1 ZINC000520603940 386704979 /nfs/dbraw/zinc/70/49/79/386704979.db2.gz GNZWLADTFFQOPX-CHWSQXEVSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)C1 ZINC000520603940 386704985 /nfs/dbraw/zinc/70/49/85/386704985.db2.gz GNZWLADTFFQOPX-CHWSQXEVSA-N 1 3 243.395 0.325 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](C)Cn1cccn1 ZINC000414829913 386705138 /nfs/dbraw/zinc/70/51/38/386705138.db2.gz BPSLNFSUEPASFM-QWRGUYRKSA-N 1 3 210.325 0.717 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CC)[C@H](C)C1 ZINC000520603941 386705481 /nfs/dbraw/zinc/70/54/81/386705481.db2.gz GNZWLADTFFQOPX-OLZOCXBDSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)C1 ZINC000520603941 386705486 /nfs/dbraw/zinc/70/54/86/386705486.db2.gz GNZWLADTFFQOPX-OLZOCXBDSA-N 1 3 243.395 0.325 20 0 BCADHO [NH3+]CCOCCN1CCC(c2ncc[nH]2)CC1 ZINC000357068232 386707855 /nfs/dbraw/zinc/70/78/55/386707855.db2.gz DNZAHUMPFNJJLL-UHFFFAOYSA-N 1 3 238.335 0.564 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000114400721 386708593 /nfs/dbraw/zinc/70/85/93/386708593.db2.gz YINMLHVUXWVWFM-LBPRGKRZSA-N 1 3 241.379 0.737 20 0 BCADHO c1ncn(CCN2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357074317 386712661 /nfs/dbraw/zinc/71/26/61/386712661.db2.gz FVNUYVGPTRNLMT-CYBMUJFWSA-N 1 3 249.362 0.600 20 0 BCADHO Cn1cc([C@H]2CCN(CCOCC[NH3+])C2)cn1 ZINC000357091055 386713510 /nfs/dbraw/zinc/71/35/10/386713510.db2.gz VTNGYJOLTXOURF-NSHDSACASA-N 1 3 238.335 0.185 20 0 BCADHO CN(C)CCN(C)CCC[NH2+]C1CCOCC1 ZINC000623088122 386723191 /nfs/dbraw/zinc/72/31/91/386723191.db2.gz XDYXRMIIWBXEKY-UHFFFAOYSA-N 1 3 243.395 0.639 20 0 BCADHO CN(CCCNCc1ncc[nH]1)CC[NH+](C)C ZINC000623088123 386724682 /nfs/dbraw/zinc/72/46/82/386724682.db2.gz XHIDFVRBRUDQRL-UHFFFAOYSA-N 1 3 239.367 0.383 20 0 BCADHO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000357253947 386747298 /nfs/dbraw/zinc/74/72/98/386747298.db2.gz XOUNVTPTMWGLGA-KOLCDFICSA-N 1 3 225.336 0.276 20 0 BCADHO CC[C@H](Cn1cncn1)[NH2+]C[C@@H](C)CN(C)C ZINC000425941444 386754259 /nfs/dbraw/zinc/75/42/59/386754259.db2.gz ZLNBGDCTEIINRN-VXGBXAGGSA-N 1 3 239.367 0.844 20 0 BCADHO CC[C@H](Cn1cncn1)NC[C@@H](C)C[NH+](C)C ZINC000425941444 386754266 /nfs/dbraw/zinc/75/42/66/386754266.db2.gz ZLNBGDCTEIINRN-VXGBXAGGSA-N 1 3 239.367 0.844 20 0 BCADHO CC[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000122178368 386741148 /nfs/dbraw/zinc/74/11/48/386741148.db2.gz BEUTTZWZOVQVHK-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417828298 386790549 /nfs/dbraw/zinc/79/05/49/386790549.db2.gz FCIXKYQTRZQFNM-WZRBSPASSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H](N)C(C)(C)C)C[C@H]1[NH3+] ZINC000417835816 386794389 /nfs/dbraw/zinc/79/43/89/386794389.db2.gz OCMIJJKADVEFBB-IWSPIJDZSA-N 1 3 213.325 0.165 20 0 BCADHO CCCC[C@@H](N)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000417836385 386795585 /nfs/dbraw/zinc/79/55/85/386795585.db2.gz LSQXEXRZEGJGJU-NQBHXWOUSA-N 1 3 241.379 0.947 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](C)CCN1 ZINC000417837158 386795959 /nfs/dbraw/zinc/79/59/59/386795959.db2.gz XLYANVNXFKMXNN-GMTAPVOTSA-N 1 3 227.352 0.489 20 0 BCADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CCCN1C ZINC000394974039 386771345 /nfs/dbraw/zinc/77/13/45/386771345.db2.gz ZNMHCGCTLVEEMX-KOLCDFICSA-N 1 3 225.336 0.337 20 0 BCADHO CCc1ccccc1[C@@H](N)CNC(=O)C[NH2+]C ZINC000417838612 386796280 /nfs/dbraw/zinc/79/62/80/386796280.db2.gz QPNDVNFOMBDSJH-LBPRGKRZSA-N 1 3 235.331 0.584 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CCN2)C1 ZINC000417813282 386780462 /nfs/dbraw/zinc/78/04/62/386780462.db2.gz PLPHLEMKTPWIGF-MXWKQRLJSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H](C)CCN2)C1 ZINC000417813279 386782133 /nfs/dbraw/zinc/78/21/33/386782133.db2.gz PLPHLEMKTPWIGF-GMTAPVOTSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417809263 386786433 /nfs/dbraw/zinc/78/64/33/386786433.db2.gz GTARWYZUOKQDHY-QWRGUYRKSA-N 1 3 241.379 0.864 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H](C)CCN1 ZINC000417808964 386786925 /nfs/dbraw/zinc/78/69/25/386786925.db2.gz GGKONGWKOAZLDG-MXWKQRLJSA-N 1 3 227.352 0.474 20 0 BCADHO C[N@@H+]1CC[C@@](O)(CN[C@@H]2COC(C)(C)C2)C1 ZINC000417988431 386789330 /nfs/dbraw/zinc/78/93/30/386789330.db2.gz KAKLDTLEXIYHHT-CMPLNLGQSA-N 1 3 228.336 0.210 20 0 BCADHO C[N@H+]1CC[C@@](O)(CN[C@@H]2COC(C)(C)C2)C1 ZINC000417988431 386789337 /nfs/dbraw/zinc/78/93/37/386789337.db2.gz KAKLDTLEXIYHHT-CMPLNLGQSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000334760302 386820087 /nfs/dbraw/zinc/82/00/87/386820087.db2.gz QOXXRKKJOSEZJQ-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](O)C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000334760302 386820091 /nfs/dbraw/zinc/82/00/91/386820091.db2.gz QOXXRKKJOSEZJQ-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H]1[C@@H](NC(=O)NCCCC[NH3+])CCCN1C ZINC000418001881 386820750 /nfs/dbraw/zinc/82/07/50/386820750.db2.gz LHSVKJZYNUJREQ-QWRGUYRKSA-N 1 3 242.367 0.507 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000417843086 386800468 /nfs/dbraw/zinc/80/04/68/386800468.db2.gz QGRYNMNPOMQDKO-WPRPVWTQSA-N 1 3 227.352 0.617 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H]1C[C@@H](C)CCN1 ZINC000417853327 386802269 /nfs/dbraw/zinc/80/22/69/386802269.db2.gz OVTQZVNOWXCZIB-GUBZILKMSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)[C@H]1NCCCC1(C)C ZINC000417851714 386803031 /nfs/dbraw/zinc/80/30/31/386803031.db2.gz NPSLLXUORDBMPL-NXEZZACHSA-N 1 3 227.352 0.618 20 0 BCADHO C[NH2+]CCNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000417857003 386805040 /nfs/dbraw/zinc/80/50/40/386805040.db2.gz NOEKMZYIMGUQQZ-UWVGGRQHSA-N 1 3 240.351 0.130 20 0 BCADHO CCCC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417846887 386805250 /nfs/dbraw/zinc/80/52/50/386805250.db2.gz UGALMNPSQHWPQC-WOPDTQHZSA-N 1 3 241.379 0.947 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000366554730 386831209 /nfs/dbraw/zinc/83/12/09/386831209.db2.gz KVHSDMZGRGLWEH-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH3+])CCCN1C ZINC000418010790 386891975 /nfs/dbraw/zinc/89/19/75/386891975.db2.gz WEACIKKTWJJNHL-NXEZZACHSA-N 1 3 242.367 0.506 20 0 BCADHO CS[C@@H]1CC[C@@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000425346404 386859009 /nfs/dbraw/zinc/85/90/09/386859009.db2.gz KLZXQBAVCGOLMZ-WDEREUQCSA-N 1 3 244.404 0.927 20 0 BCADHO C[C@H](C[NH3+])NC(=O)c1ccc2c(c1)CNC2 ZINC000334792993 386859765 /nfs/dbraw/zinc/85/97/65/386859765.db2.gz ZFTKXBJLFQIMSS-MRVPVSSYSA-N 1 3 219.288 0.367 20 0 BCADHO C[C@]1(CN[C@@H]2CNCCC2(F)F)CC[NH2+]C1 ZINC000334832303 386868978 /nfs/dbraw/zinc/86/89/78/386868978.db2.gz BTLKUKCESOKSEM-ZJUUUORDSA-N 1 3 233.306 0.573 20 0 BCADHO CC(C)N1CCC(O)(C[NH2+][C@H]2CCOC2)CC1 ZINC000341278559 386874533 /nfs/dbraw/zinc/87/45/33/386874533.db2.gz MFZKIBPJPPPKFK-LBPRGKRZSA-N 1 3 242.363 0.600 20 0 BCADHO NC(C(=O)NC1CCC([NH3+])CC1)C(F)(F)F ZINC000334840053 386884410 /nfs/dbraw/zinc/88/44/10/386884410.db2.gz VOMRZAOQSAMHIR-AHXFUIDQSA-N 1 3 239.241 0.262 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000418011573 386899586 /nfs/dbraw/zinc/89/95/86/386899586.db2.gz XADZEOQSPWNBHA-UKKRHICBSA-N 1 3 242.367 0.504 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000418012778 386906189 /nfs/dbraw/zinc/90/61/89/386906189.db2.gz YKNSVOBQXYXWLB-LPEHRKFASA-N 1 3 228.340 0.116 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000418012773 386906522 /nfs/dbraw/zinc/90/65/22/386906522.db2.gz YKNSVOBQXYXWLB-AEJSXWLSSA-N 1 3 228.340 0.116 20 0 BCADHO [NH3+]CCCN1CCNCc2ccccc21 ZINC000334819866 386946932 /nfs/dbraw/zinc/94/69/32/386946932.db2.gz JVKSCDKWBUHSLN-UHFFFAOYSA-N 1 3 205.305 0.945 20 0 BCADHO C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)CCCN1C ZINC000418013789 386922392 /nfs/dbraw/zinc/92/23/92/386922392.db2.gz ZQPVRIPNUXOEKC-MXWKQRLJSA-N 1 3 240.351 0.130 20 0 BCADHO CCN(CC)CCC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984470 386925393 /nfs/dbraw/zinc/92/53/93/386925393.db2.gz XQTDFTBFVAPKOV-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO CCN(CC)CCC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984470 386925397 /nfs/dbraw/zinc/92/53/97/386925397.db2.gz XQTDFTBFVAPKOV-LBPRGKRZSA-N 1 3 241.379 0.916 20 0 BCADHO C([NH2+][C@H]1CCCSC1)[C@@H]1CNCCCO1 ZINC000334873977 386935001 /nfs/dbraw/zinc/93/50/01/386935001.db2.gz MFEYPMOCYDHOFW-QWRGUYRKSA-N 1 3 230.377 0.850 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000368104194 386942024 /nfs/dbraw/zinc/94/20/24/386942024.db2.gz CKZWEUFBNMBPNI-NEPJUHHUSA-N 1 3 239.363 0.396 20 0 BCADHO C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000334890063 386962777 /nfs/dbraw/zinc/96/27/77/386962777.db2.gz MVSUEZJYNOCLQO-CMPLNLGQSA-N 1 3 225.336 0.326 20 0 BCADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368388161 386970075 /nfs/dbraw/zinc/97/00/75/386970075.db2.gz PLJOUUNFVCMIHV-UTUOFQBUSA-N 1 3 237.347 0.339 20 0 BCADHO C[C@H](C[NH+](C)C)NC(=O)N(C)CCN(C)C ZINC000358527266 386973740 /nfs/dbraw/zinc/97/37/40/386973740.db2.gz YXCUVYVXSKWPMR-SNVBAGLBSA-N 1 3 230.356 0.140 20 0 BCADHO C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000518993472 386978340 /nfs/dbraw/zinc/97/83/40/386978340.db2.gz CLLPMSPLNYTSIC-SILCLGDVSA-N 1 3 211.309 0.064 20 0 BCADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCn1cncn1)C2 ZINC000368509377 386981117 /nfs/dbraw/zinc/98/11/17/386981117.db2.gz ALUPYOOZPPHDEP-FUNVUKJBSA-N 1 3 249.362 0.835 20 0 BCADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCn1cncn1)C2 ZINC000368509377 386981121 /nfs/dbraw/zinc/98/11/21/386981121.db2.gz ALUPYOOZPPHDEP-FUNVUKJBSA-N 1 3 249.362 0.835 20 0 BCADHO C[NH+](C)CCNC(=O)C1(N)Cc2ccccc2C1 ZINC000368596909 386992191 /nfs/dbraw/zinc/99/21/91/386992191.db2.gz GCWGSBJQVPZHLY-UHFFFAOYSA-N 1 3 247.342 0.161 20 0 BCADHO CCC[C@H](N)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000368648967 386995982 /nfs/dbraw/zinc/99/59/82/386995982.db2.gz YWWYPDLQLVPNFT-VHSXEESVSA-N 1 3 225.336 0.372 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)CCN1 ZINC000643426048 386996240 /nfs/dbraw/zinc/99/62/40/386996240.db2.gz VSZLHKBIHQXMIA-NEPJUHHUSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCCN2C)C1 ZINC000334920883 386997289 /nfs/dbraw/zinc/99/72/89/386997289.db2.gz BOFFHYPHPRCRNU-GHMZBOCLSA-N 1 3 240.351 0.084 20 0 BCADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN(C)C ZINC000368684622 387002132 /nfs/dbraw/zinc/00/21/32/387002132.db2.gz VQQHJUPZLJZYOE-WDEREUQCSA-N 1 3 227.352 0.298 20 0 BCADHO C[C@H]1C[C@H](CN2CCNC(=O)C2(C)C)CC[NH2+]1 ZINC000334821371 386949690 /nfs/dbraw/zinc/94/96/90/386949690.db2.gz YAEHNNJYBUQUKS-WDEREUQCSA-N 1 3 239.363 0.585 20 0 BCADHO CC[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CCC[NH2+]1 ZINC000368199742 386951030 /nfs/dbraw/zinc/95/10/30/386951030.db2.gz HFTOUWJLDLGHIC-JBLDHEPKSA-N 1 3 243.326 0.335 20 0 BCADHO [NH3+][C@@H](CNC(=O)[C@@H]1CNCCC1(F)F)C1CC1 ZINC000648106318 387030607 /nfs/dbraw/zinc/03/06/07/387030607.db2.gz YTVZHOYIPHHECE-IUCAKERBSA-N 1 3 247.289 0.085 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CC[NH2+]C1)N(C)C ZINC000126402398 387033883 /nfs/dbraw/zinc/03/38/83/387033883.db2.gz SRLFZJIUQILYHT-NXEZZACHSA-N 1 3 213.325 0.051 20 0 BCADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000334955432 387034683 /nfs/dbraw/zinc/03/46/83/387034683.db2.gz HKKKUMSLGKGDEF-MNOVXSKESA-N 1 3 242.367 0.317 20 0 BCADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H]1CCCC[C@H]1N ZINC000333463045 387037055 /nfs/dbraw/zinc/03/70/55/387037055.db2.gz GXDDRVLYHLVQBV-YVECIDJPSA-N 1 3 241.379 0.613 20 0 BCADHO C[C@H](C[C@H]1COCCN1)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333463045 387037058 /nfs/dbraw/zinc/03/70/58/387037058.db2.gz GXDDRVLYHLVQBV-YVECIDJPSA-N 1 3 241.379 0.613 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000334964677 387045142 /nfs/dbraw/zinc/04/51/42/387045142.db2.gz AHSPFDNLNHNWJR-GHMZBOCLSA-N 1 3 239.363 0.633 20 0 BCADHO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCCN1)C1CCCC1 ZINC000333672336 387049933 /nfs/dbraw/zinc/04/99/33/387049933.db2.gz YNBOEOWEAQUYNT-NWDGAFQWSA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)C1CCC1 ZINC000399067441 387052588 /nfs/dbraw/zinc/05/25/88/387052588.db2.gz KWXYLSUWLUCDNY-GXSJLCMTSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)C1CCC1 ZINC000399067448 387053350 /nfs/dbraw/zinc/05/33/50/387053350.db2.gz KWXYLSUWLUCDNY-MWLCHTKSSA-N 1 3 227.352 0.570 20 0 BCADHO [NH3+]C1(CNC(=O)[C@@H]2CNCCC2(F)F)CCC1 ZINC000648108598 387059431 /nfs/dbraw/zinc/05/94/31/387059431.db2.gz AYJLDQODAHZOST-QMMMGPOBSA-N 1 3 247.289 0.229 20 0 BCADHO C[C@@H]1C[C@@H](CN2CC(=O)NCC2(C)C)CC[NH2+]1 ZINC000334882571 387025696 /nfs/dbraw/zinc/02/56/96/387025696.db2.gz PKUPXOQWRRPMQA-MNOVXSKESA-N 1 3 239.363 0.585 20 0 BCADHO CCN(C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256270 387074731 /nfs/dbraw/zinc/07/47/31/387074731.db2.gz LUJMTXYBKKDLPS-LLVKDONJSA-N 1 3 239.363 0.444 20 0 BCADHO O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCCCN1 ZINC000186264941 387090541 /nfs/dbraw/zinc/09/05/41/387090541.db2.gz QECMRGAARGLFTR-NSHDSACASA-N 1 3 223.320 0.164 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)CN(C)C ZINC000352341316 387092182 /nfs/dbraw/zinc/09/21/82/387092182.db2.gz WYUQLFQIESEZCJ-QWRGUYRKSA-N 1 3 244.383 0.576 20 0 BCADHO C[C@@H](C(=O)Nc1cnc2c(c1)CNCC2)[C@H](C)[NH3+] ZINC000370660998 387131173 /nfs/dbraw/zinc/13/11/73/387131173.db2.gz ZSIJTCFBGZLGRM-BDAKNGLRSA-N 1 3 248.330 0.649 20 0 BCADHO CCC[C@@H](N)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186495947 387100958 /nfs/dbraw/zinc/10/09/58/387100958.db2.gz BYQZDXJNDKTQEY-ZYHUDNBSSA-N 1 3 239.363 0.857 20 0 BCADHO CCN(CC)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000068107083 387101163 /nfs/dbraw/zinc/10/11/63/387101163.db2.gz DJICZZUVICSGQK-GFCCVEGCSA-N 1 3 241.379 0.785 20 0 BCADHO CN(C)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250357754 387114101 /nfs/dbraw/zinc/11/41/01/387114101.db2.gz QCAKRCUKYMGVKX-TUAOUCFPSA-N 1 3 239.363 0.585 20 0 BCADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000335031654 387127225 /nfs/dbraw/zinc/12/72/25/387127225.db2.gz JYDFBJDWLBRKES-NWDGAFQWSA-N 1 3 239.363 0.844 20 0 BCADHO C[NH2+][C@@H](C)CNC(=O)C1(N)Cc2ccccc2C1 ZINC000367350891 387128735 /nfs/dbraw/zinc/12/87/35/387128735.db2.gz YQFACZQHFHAKBN-JTQLQIEISA-N 1 3 247.342 0.207 20 0 BCADHO C[NH+](C)[C@@]1(CNC(=O)C2(N)CC2)CCSC1 ZINC000353211651 387157881 /nfs/dbraw/zinc/15/78/81/387157881.db2.gz IMEGWQUXJRCFHV-SNVBAGLBSA-N 1 3 243.376 0.031 20 0 BCADHO CC[N@H+](C)CCNC(=O)C[C@@H]1CSCCN1 ZINC000085614200 387162963 /nfs/dbraw/zinc/16/29/63/387162963.db2.gz BEGFYRQSENLPMU-SNVBAGLBSA-N 1 3 245.392 0.149 20 0 BCADHO CC[N@@H+](C)CCNC(=O)C[C@@H]1CSCCN1 ZINC000085614200 387162968 /nfs/dbraw/zinc/16/29/68/387162968.db2.gz BEGFYRQSENLPMU-SNVBAGLBSA-N 1 3 245.392 0.149 20 0 BCADHO CCCC[N@H+](C)C[C@H](C)NC(=O)CNC1CC1 ZINC000571760246 387163658 /nfs/dbraw/zinc/16/36/58/387163658.db2.gz OXSMPYCVNCDXAN-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)CNC1CC1 ZINC000571760246 387163663 /nfs/dbraw/zinc/16/36/63/387163663.db2.gz OXSMPYCVNCDXAN-NSHDSACASA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(N)CCC1 ZINC000423324520 387167128 /nfs/dbraw/zinc/16/71/28/387167128.db2.gz KIYCPWSMTHYOEP-CMPLNLGQSA-N 1 3 223.364 0.940 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NCC1([NH3+])CCC1 ZINC000423324520 387167132 /nfs/dbraw/zinc/16/71/32/387167132.db2.gz KIYCPWSMTHYOEP-CMPLNLGQSA-N 1 3 223.364 0.940 20 0 BCADHO CN(CCO)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371206377 387173123 /nfs/dbraw/zinc/17/31/23/387173123.db2.gz YKEZBSCOUDFVQV-ZDUSSCGKSA-N 1 3 241.379 0.079 20 0 BCADHO CN(CCO)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371206377 387173126 /nfs/dbraw/zinc/17/31/26/387173126.db2.gz YKEZBSCOUDFVQV-ZDUSSCGKSA-N 1 3 241.379 0.079 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371230833 387177294 /nfs/dbraw/zinc/17/72/94/387177294.db2.gz NKAVIPBFBBBJAX-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](NCCNCCOC)[C@@H]1CCC[NH2+]1 ZINC000423334551 387179946 /nfs/dbraw/zinc/17/99/46/387179946.db2.gz PHNDJWXGDJPTKK-NEPJUHHUSA-N 1 3 229.368 0.343 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000371261912 387182980 /nfs/dbraw/zinc/18/29/80/387182980.db2.gz FNTMVNVSWPHLPU-SDDRHHMPSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000371261912 387182987 /nfs/dbraw/zinc/18/29/87/387182987.db2.gz FNTMVNVSWPHLPU-SDDRHHMPSA-N 1 3 239.363 0.809 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000371261764 387183203 /nfs/dbraw/zinc/18/32/03/387183203.db2.gz CRMCSGUUJVWIQA-GMTAPVOTSA-N 1 3 225.336 0.419 20 0 BCADHO C[C@@H](N)C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000371261764 387183205 /nfs/dbraw/zinc/18/32/05/387183205.db2.gz CRMCSGUUJVWIQA-GMTAPVOTSA-N 1 3 225.336 0.419 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H](N(C)C)C1 ZINC000062967601 387187843 /nfs/dbraw/zinc/18/78/43/387187843.db2.gz ZGAVTPNDNWNHBA-QWRGUYRKSA-N 1 3 227.352 0.380 20 0 BCADHO C[C@H](C[NH3+])C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000062973198 387190619 /nfs/dbraw/zinc/19/06/19/387190619.db2.gz GIZJKDOPRBUTCK-GHMZBOCLSA-N 1 3 225.336 0.278 20 0 BCADHO C[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)CN1C1CC1 ZINC000423304175 387136641 /nfs/dbraw/zinc/13/66/41/387136641.db2.gz NKGPZKOINXECST-SDDRHHMPSA-N 1 3 223.364 0.953 20 0 BCADHO CCN(C)C(=O)C[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000186805612 387140890 /nfs/dbraw/zinc/14/08/90/387140890.db2.gz YZAFMBYKOWIVKU-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000353461097 387207289 /nfs/dbraw/zinc/20/72/89/387207289.db2.gz ADSLTUHQEINCHR-LYFYHCNISA-N 1 3 239.241 0.133 20 0 BCADHO CC[C@H](Cn1cncn1)NCC[C@H]1CCC[NH2+]1 ZINC000423357482 387208216 /nfs/dbraw/zinc/20/82/16/387208216.db2.gz ICOATZZRDABEFJ-VXGBXAGGSA-N 1 3 237.351 0.788 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)OC ZINC000300418290 387208998 /nfs/dbraw/zinc/20/89/98/387208998.db2.gz MVMGRKJPDCPJBB-MROQNXINSA-N 1 3 244.379 0.966 20 0 BCADHO COC[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)OC ZINC000300418290 387209005 /nfs/dbraw/zinc/20/90/05/387209005.db2.gz MVMGRKJPDCPJBB-MROQNXINSA-N 1 3 244.379 0.966 20 0 BCADHO CCN(C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000423367082 387218169 /nfs/dbraw/zinc/21/81/69/387218169.db2.gz YOQWJBUNWZRDCN-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCN(C)CC ZINC000353513198 387220303 /nfs/dbraw/zinc/22/03/03/387220303.db2.gz KRIJDTBLTZJGFI-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000353520987 387220697 /nfs/dbraw/zinc/22/06/97/387220697.db2.gz QPEUVYMFDYCPGN-LPWJVIDDSA-N 1 3 242.363 0.456 20 0 BCADHO Cn1cc(CNCCOCC[NH+](C)C)cn1 ZINC000230004749 387223505 /nfs/dbraw/zinc/22/35/05/387223505.db2.gz XXNUUQZQPJXUPZ-UHFFFAOYSA-N 1 3 226.324 0.088 20 0 BCADHO C[C@H](N)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000353574840 387228777 /nfs/dbraw/zinc/22/87/77/387228777.db2.gz DFEVBKWXABMSIF-DCAQKATOSA-N 1 3 227.352 0.713 20 0 BCADHO CC[NH2+][C@H](C)CN[C@@H](C)C[C@H]1COCCN1 ZINC000423403738 387240008 /nfs/dbraw/zinc/24/00/08/387240008.db2.gz ZLKMWRIXPDOICO-TUAOUCFPSA-N 1 3 229.368 0.341 20 0 BCADHO CC[N@H+](CCNC(=O)[C@H](N)C1CCC1)C(C)C ZINC000423406813 387244516 /nfs/dbraw/zinc/24/45/16/387244516.db2.gz VCHUCMZVRGHTEI-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[N@@H+](CCNC(=O)[C@H](N)C1CCC1)C(C)C ZINC000423406813 387244518 /nfs/dbraw/zinc/24/45/18/387244518.db2.gz VCHUCMZVRGHTEI-GFCCVEGCSA-N 1 3 241.379 0.960 20 0 BCADHO O=C([C@@H]1CCC[NH2+]C1)N1CCN2CCC[C@H]2C1 ZINC000162040064 387249560 /nfs/dbraw/zinc/24/95/60/387249560.db2.gz AYEYRUHJTMUZHD-NEPJUHHUSA-N 1 3 237.347 0.293 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@H](N)C1CCC1)C1CC1 ZINC000423349207 387200187 /nfs/dbraw/zinc/20/01/87/387200187.db2.gz WCHBVIBMBZWDKL-VXGBXAGGSA-N 1 3 239.363 0.570 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423465547 387313098 /nfs/dbraw/zinc/31/30/98/387313098.db2.gz WOOCNPLQHLSWDK-JQWIXIFHSA-N 1 3 241.379 0.995 20 0 BCADHO CCN(CC)CC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000372595156 387315228 /nfs/dbraw/zinc/31/52/28/387315228.db2.gz YFJKCUOUOHCYBA-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188185009 387256117 /nfs/dbraw/zinc/25/61/17/387256117.db2.gz CJPFZKZRUSRACL-INTQDDNPSA-N 1 3 243.326 0.272 20 0 BCADHO C[C@H]1CN(C)C[C@H]1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423378700 387259991 /nfs/dbraw/zinc/25/99/91/387259991.db2.gz MQOIIVXBHODTLL-IRCOFANPSA-N 1 3 211.353 0.667 20 0 BCADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@]1(F)CCNC1 ZINC000372119028 387274440 /nfs/dbraw/zinc/27/44/40/387274440.db2.gz UFAJKKKWVWSGSJ-RYUDHWBXSA-N 1 3 245.342 0.568 20 0 BCADHO CN1CCC[C@@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000572246137 387278750 /nfs/dbraw/zinc/27/87/50/387278750.db2.gz PHCMHIOLXOYVMV-NSHDSACASA-N 1 3 239.363 0.573 20 0 BCADHO O=C(N1CCN2CCC[C@@H]2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423392336 387279013 /nfs/dbraw/zinc/27/90/13/387279013.db2.gz QFIYQSPKMRTAHL-WZRBSPASSA-N 1 3 235.331 0.045 20 0 BCADHO CC1([NH3+])CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000648120600 387280632 /nfs/dbraw/zinc/28/06/32/387280632.db2.gz IEYIHWDDQHSMAB-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000514732457 387281979 /nfs/dbraw/zinc/28/19/79/387281979.db2.gz IWSUGQBQVVRXMS-TUAOUCFPSA-N 1 3 239.363 0.714 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000423438554 387288579 /nfs/dbraw/zinc/28/85/79/387288579.db2.gz VAUPXQNCFWQKOJ-CYDGBPFRSA-N 1 3 242.363 0.362 20 0 BCADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CNC[C@@H]1O ZINC000423438554 387288582 /nfs/dbraw/zinc/28/85/82/387288582.db2.gz VAUPXQNCFWQKOJ-CYDGBPFRSA-N 1 3 242.363 0.362 20 0 BCADHO CC[C@H](N)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423441200 387291411 /nfs/dbraw/zinc/29/14/11/387291411.db2.gz AZVSATVIWNAVTD-OUAUKWLOSA-N 1 3 211.353 0.939 20 0 BCADHO CC[C@H]([NH3+])CN[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000423441200 387291416 /nfs/dbraw/zinc/29/14/16/387291416.db2.gz AZVSATVIWNAVTD-OUAUKWLOSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000423448552 387296828 /nfs/dbraw/zinc/29/68/28/387296828.db2.gz QKMPTDQMMJPGNE-WDCWCFNPSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000423448552 387296831 /nfs/dbraw/zinc/29/68/31/387296831.db2.gz QKMPTDQMMJPGNE-WDCWCFNPSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@H](N)[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423448551 387297198 /nfs/dbraw/zinc/29/71/98/387297198.db2.gz QKMPTDQMMJPGNE-QFOLPQNPSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@H]([NH3+])[C@H](C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000423448551 387297203 /nfs/dbraw/zinc/29/72/03/387297203.db2.gz QKMPTDQMMJPGNE-QFOLPQNPSA-N 1 3 211.353 0.794 20 0 BCADHO C[C@@H]1CCN(CCNC(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000514865435 387301379 /nfs/dbraw/zinc/30/13/79/387301379.db2.gz UWKANUWXIDWLQF-IJLUTSLNSA-N 1 3 239.363 0.442 20 0 BCADHO COCCN1CC[C@@H](N[C@H]2CCCC[NH2+]C2)C1 ZINC000423544421 387368102 /nfs/dbraw/zinc/36/81/02/387368102.db2.gz CZZUSDIUWYTGML-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO CC[C@H](NC[C@@H]1CNCCO1)[C@@H]1CCC[NH2+]1 ZINC000423543979 387368994 /nfs/dbraw/zinc/36/89/94/387368994.db2.gz CASCHKNQZHBCDB-SRVKXCTJSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)[NH2+]CCCNC1CC1 ZINC000423554192 387372220 /nfs/dbraw/zinc/37/22/20/387372220.db2.gz LKRNSWLWSGEORK-AAEUAGOBSA-N 1 3 241.379 0.485 20 0 BCADHO C[C@H](NC[C@H]1CNCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423571219 387380337 /nfs/dbraw/zinc/38/03/37/387380337.db2.gz NGSPENQVFLFISB-TUAOUCFPSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@@H](NC[C@H]1CNCCO1)[C@H]1CCCC[NH2+]1 ZINC000423571215 387380833 /nfs/dbraw/zinc/38/08/33/387380833.db2.gz NGSPENQVFLFISB-IJLUTSLNSA-N 1 3 227.352 0.095 20 0 BCADHO C[C@H](N[C@H]1CNCCC1(F)F)[C@@H]1CCC[NH2+]1 ZINC000423473885 387320128 /nfs/dbraw/zinc/32/01/28/387320128.db2.gz GYIYMBHUGIFJHO-GUBZILKMSA-N 1 3 233.306 0.714 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000515060727 387328444 /nfs/dbraw/zinc/32/84/44/387328444.db2.gz JVUIERIICMHQRQ-SCVCMEIPSA-N 1 3 227.352 0.557 20 0 BCADHO COC[C@@H]([NH2+]C[C@H]1CNCCCO1)C(C)C ZINC000423485374 387331571 /nfs/dbraw/zinc/33/15/71/387331571.db2.gz APHYWDZGAGIUMG-VXGBXAGGSA-N 1 3 230.352 0.626 20 0 BCADHO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)[C@H]1C[C@H]1C ZINC000423490851 387335887 /nfs/dbraw/zinc/33/58/87/387335887.db2.gz IQTVEXQFSUPROK-WYUUTHIRSA-N 1 3 212.337 0.999 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336559307 387383275 /nfs/dbraw/zinc/38/32/75/387383275.db2.gz DRJAFJLYVRGSSG-RYUDHWBXSA-N 1 3 239.363 0.395 20 0 BCADHO COCCN1CC[C@@H](NC[C@@H]2CCCC[NH2+]2)C1 ZINC000643501248 387352692 /nfs/dbraw/zinc/35/26/92/387352692.db2.gz AWHPBNBNMIKHKH-QWHCGFSZSA-N 1 3 241.379 0.439 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000423785383 387425666 /nfs/dbraw/zinc/42/56/66/387425666.db2.gz SYQKALCHCSYHLB-SRVKXCTJSA-N 1 3 241.379 0.912 20 0 BCADHO CCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000423785383 387425667 /nfs/dbraw/zinc/42/56/67/387425667.db2.gz SYQKALCHCSYHLB-SRVKXCTJSA-N 1 3 241.379 0.912 20 0 BCADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N ZINC000423789536 387427582 /nfs/dbraw/zinc/42/75/82/387427582.db2.gz ATPSPIFRADBZBG-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)N ZINC000423789536 387427586 /nfs/dbraw/zinc/42/75/86/387427586.db2.gz ATPSPIFRADBZBG-LLVKDONJSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)CCN(C)C1CC1 ZINC000423844574 387433406 /nfs/dbraw/zinc/43/34/06/387433406.db2.gz JDQPQCHMQXOTHW-NXEZZACHSA-N 1 3 227.352 0.522 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000515840721 387433341 /nfs/dbraw/zinc/43/33/41/387433341.db2.gz XCNSGLJVZNJBTF-GMXVVIOVSA-N 1 3 239.363 0.572 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423991800 387461565 /nfs/dbraw/zinc/46/15/65/387461565.db2.gz FKEWSDSBEPFHEM-NEPJUHHUSA-N 1 3 241.379 0.772 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423981449 387462098 /nfs/dbraw/zinc/46/20/98/387462098.db2.gz XAIJRQSEYNFKMA-BJDJZHNGSA-N 1 3 239.363 0.807 20 0 BCADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423953210 387457187 /nfs/dbraw/zinc/45/71/87/387457187.db2.gz AXSUTXGEAXXRRB-GRYCIOLGSA-N 1 3 239.363 0.666 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C12CCCN1CCC2 ZINC000423602235 387385878 /nfs/dbraw/zinc/38/58/78/387385878.db2.gz FRYJFCSHDPYSBH-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423974749 387459863 /nfs/dbraw/zinc/45/98/63/387459863.db2.gz LDFILNOEFPLSRH-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO CCN(CC)CC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423976626 387459899 /nfs/dbraw/zinc/45/98/99/387459899.db2.gz MUUULFZPJUAAIS-VHSXEESVSA-N 1 3 213.325 0.134 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423657230 387392319 /nfs/dbraw/zinc/39/23/19/387392319.db2.gz YJOOPUCGRFTBGK-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423657229 387392431 /nfs/dbraw/zinc/39/24/31/387392431.db2.gz YJOOPUCGRFTBGK-NXEZZACHSA-N 1 3 213.325 0.276 20 0 BCADHO CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])N(C)C ZINC000423672544 387393741 /nfs/dbraw/zinc/39/37/41/387393741.db2.gz DXGFDVUGDCWNES-KXUCPTDWSA-N 1 3 215.341 0.569 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C12CCCN1CCC2 ZINC000423687061 387399399 /nfs/dbraw/zinc/39/93/99/387399399.db2.gz VEZVLCACVDWHQJ-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CCN(C)CC1 ZINC000572402454 387399776 /nfs/dbraw/zinc/39/97/76/387399776.db2.gz NIVXMZSJNUTESD-RKDXNWHRSA-N 1 3 213.325 0.180 20 0 BCADHO COCCN(CCN(C)C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423750629 387408776 /nfs/dbraw/zinc/40/87/76/387408776.db2.gz XWSMLRWXWXDIII-QWRGUYRKSA-N 1 3 245.367 0.006 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000423776979 387422295 /nfs/dbraw/zinc/42/22/95/387422295.db2.gz QXOFSAXHCHZMAC-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000423776979 387422296 /nfs/dbraw/zinc/42/22/96/387422296.db2.gz QXOFSAXHCHZMAC-UTUOFQBUSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000423776983 387422589 /nfs/dbraw/zinc/42/25/89/387422589.db2.gz QXOFSAXHCHZMAC-WOPDTQHZSA-N 1 3 239.363 0.809 20 0 BCADHO CC[C@H](N)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000423776983 387422591 /nfs/dbraw/zinc/42/25/91/387422591.db2.gz QXOFSAXHCHZMAC-WOPDTQHZSA-N 1 3 239.363 0.809 20 0 BCADHO Cc1c[nH]nc1CNCC1(O)CC[NH+](C)CC1 ZINC000352810092 387501963 /nfs/dbraw/zinc/50/19/63/387501963.db2.gz LJLQNDUOMSPFEP-UHFFFAOYSA-N 1 3 238.335 0.264 20 0 BCADHO CCOC[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000355327929 387518502 /nfs/dbraw/zinc/51/85/02/387518502.db2.gz WUJWOIREXRFEFK-VXGBXAGGSA-N 1 3 230.352 0.267 20 0 BCADHO CCOC[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000355327929 387518504 /nfs/dbraw/zinc/51/85/04/387518504.db2.gz WUJWOIREXRFEFK-VXGBXAGGSA-N 1 3 230.352 0.267 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CCN(C)C ZINC000516968339 387520841 /nfs/dbraw/zinc/52/08/41/387520841.db2.gz AMBUEHWQUGGPMQ-ZJUUUORDSA-N 1 3 230.356 0.315 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CCN(C)C ZINC000516968338 387520881 /nfs/dbraw/zinc/52/08/81/387520881.db2.gz AMBUEHWQUGGPMQ-VHSXEESVSA-N 1 3 230.356 0.315 20 0 BCADHO CCOC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000355327467 387521552 /nfs/dbraw/zinc/52/15/52/387521552.db2.gz WUJWOIREXRFEFK-RYUDHWBXSA-N 1 3 230.352 0.267 20 0 BCADHO CCOC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000355327467 387521558 /nfs/dbraw/zinc/52/15/58/387521558.db2.gz WUJWOIREXRFEFK-RYUDHWBXSA-N 1 3 230.352 0.267 20 0 BCADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423991805 387462733 /nfs/dbraw/zinc/46/27/33/387462733.db2.gz FKEWSDSBEPFHEM-VXGBXAGGSA-N 1 3 241.379 0.772 20 0 BCADHO CCCN1CCC[C@H]1C(=O)N(C)CC[NH3+] ZINC000424001802 387463834 /nfs/dbraw/zinc/46/38/34/387463834.db2.gz IBRKSAJFECTQHY-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423997943 387464155 /nfs/dbraw/zinc/46/41/55/387464155.db2.gz MABJEPWHWUAXAH-NWDGAFQWSA-N 1 3 241.379 0.772 20 0 BCADHO C[C@H](C(=O)N(C)CC[NH3+])N1CCCCCC1 ZINC000424003579 387464262 /nfs/dbraw/zinc/46/42/62/387464262.db2.gz LKUZRAXOIKNBSF-LLVKDONJSA-N 1 3 227.352 0.668 20 0 BCADHO CC[C@H](C(=O)N(C)CC[NH3+])N(CC)CC ZINC000424003131 387464350 /nfs/dbraw/zinc/46/43/50/387464350.db2.gz KASVYLRKSDAYAQ-SNVBAGLBSA-N 1 3 215.341 0.524 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424007347 387465853 /nfs/dbraw/zinc/46/58/53/387465853.db2.gz VGRGZBPXHCQTEH-VXGBXAGGSA-N 1 3 241.379 0.770 20 0 BCADHO C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC000424021899 387468802 /nfs/dbraw/zinc/46/88/02/387468802.db2.gz SECOHWCAAROUFL-LLVKDONJSA-N 1 3 229.368 0.641 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)N(C)C ZINC000424047321 387470416 /nfs/dbraw/zinc/47/04/16/387470416.db2.gz UISCCZSTPGPNRC-IJLUTSLNSA-N 1 3 241.379 0.829 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000424047815 387470767 /nfs/dbraw/zinc/47/07/67/387470767.db2.gz XLYYMZOPVAOXNF-FXPVBKGRSA-N 1 3 225.336 0.384 20 0 BCADHO C[C@H](CC(N)=O)NCC1(C[NH+](C)C)CCCC1 ZINC000355059504 387471986 /nfs/dbraw/zinc/47/19/86/387471986.db2.gz MSGLJSYWKYJUJL-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@H]1NCC[NH2+]C1CC1 ZINC000643507196 387474654 /nfs/dbraw/zinc/47/46/54/387474654.db2.gz VNVFJIJJSVVZSB-GXFFZTMASA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]1CN(C2CC2)C[C@@H]1NCC[NH2+]C1CC1 ZINC000643507195 387475396 /nfs/dbraw/zinc/47/53/96/387475396.db2.gz VNVFJIJJSVVZSB-GWCFXTLKSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@H]1C[C@H](NCC[NH2+]C2CC2)CN1C1CC1 ZINC000643507033 387476176 /nfs/dbraw/zinc/47/61/76/387476176.db2.gz QHDRALUKWTWPNE-JQWIXIFHSA-N 1 3 223.364 0.953 20 0 BCADHO CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)CC[NH3+] ZINC000375848632 387587453 /nfs/dbraw/zinc/58/74/53/387587453.db2.gz LFTMRJUSFLDXCP-NWDGAFQWSA-N 1 3 239.363 0.811 20 0 BCADHO [NH3+]CC1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000238032003 387591742 /nfs/dbraw/zinc/59/17/42/387591742.db2.gz DYUOKWUQACPJCI-NSHDSACASA-N 1 3 225.336 0.326 20 0 BCADHO CCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)CNCC2 ZINC000362278420 387593063 /nfs/dbraw/zinc/59/30/63/387593063.db2.gz JVIYSYJIAGKVNY-NSHDSACASA-N 1 3 248.330 0.793 20 0 BCADHO C(N[C@@H]1CCC[NH2+]CC1)C12CC(C1)CO2 ZINC000527531599 387600697 /nfs/dbraw/zinc/60/06/97/387600697.db2.gz HYLUSCYKLOSVAQ-MOENNCHZSA-N 1 3 210.321 0.897 20 0 BCADHO C([NH2+][C@@H]1CCCNCC1)C12CC(C1)CO2 ZINC000527531599 387600700 /nfs/dbraw/zinc/60/07/00/387600700.db2.gz HYLUSCYKLOSVAQ-MOENNCHZSA-N 1 3 210.321 0.897 20 0 BCADHO C[NH+](C)CCCCNC(=O)C1(N)CCCC1 ZINC000041679583 387605563 /nfs/dbraw/zinc/60/55/63/387605563.db2.gz RCRUCMSDXQSKBX-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)N(C)C[C@H]1CCCN1C ZINC000422603799 387605940 /nfs/dbraw/zinc/60/59/40/387605940.db2.gz ADFSFYYMYVYADX-WDEREUQCSA-N 1 3 242.367 0.317 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)N(C)C[C@H]1CCCN1C ZINC000422614451 387607777 /nfs/dbraw/zinc/60/77/77/387607777.db2.gz YQVCKGUWZKYXKO-WDEREUQCSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H](O)C[N@H+](C)CC[C@@H]1CCCN1C ZINC000124386750 387615516 /nfs/dbraw/zinc/61/55/16/387615516.db2.gz PZAQLGYUYKBQDI-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@H](O)C[N@@H+](C)CC[C@@H]1CCCN1C ZINC000124386750 387615524 /nfs/dbraw/zinc/61/55/24/387615524.db2.gz PZAQLGYUYKBQDI-QWRGUYRKSA-N 1 3 200.326 0.783 20 0 BCADHO C[C@@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCCCN1 ZINC000422708558 387622487 /nfs/dbraw/zinc/62/24/87/387622487.db2.gz JDQQBVMYAYVZEV-WOPDTQHZSA-N 1 3 228.336 0.522 20 0 BCADHO C[C@@H]([NH2+]C[C@H]1COCCO1)[C@H]1CCCCN1 ZINC000422708555 387623467 /nfs/dbraw/zinc/62/34/67/387623467.db2.gz JDQQBVMYAYVZEV-GRYCIOLGSA-N 1 3 228.336 0.522 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)N(C)C ZINC000376387294 387626514 /nfs/dbraw/zinc/62/65/14/387626514.db2.gz PVNDSYHQHFXGMO-NWDGAFQWSA-N 1 3 241.379 0.831 20 0 BCADHO CC[N@H+](CCO)CC[C@H]1CCCN1C ZINC000305685274 387627184 /nfs/dbraw/zinc/62/71/84/387627184.db2.gz PPVPSPXXXKCQDL-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CC[N@@H+](CCO)CC[C@H]1CCCN1C ZINC000305685274 387627186 /nfs/dbraw/zinc/62/71/86/387627186.db2.gz PPVPSPXXXKCQDL-LLVKDONJSA-N 1 3 200.326 0.785 20 0 BCADHO CC1(C)COCCN1CCN[C@H]1CCC[C@H]1[NH3+] ZINC000422716971 387627556 /nfs/dbraw/zinc/62/75/56/387627556.db2.gz VBEWELUKZXXHDK-NEPJUHHUSA-N 1 3 241.379 0.567 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1C)[C@H](C)[NH3+] ZINC000399640653 387564016 /nfs/dbraw/zinc/56/40/16/387564016.db2.gz KCBGKNDBRBCNHM-SRVKXCTJSA-N 1 3 241.379 0.816 20 0 BCADHO CC[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000038042292 387569989 /nfs/dbraw/zinc/56/99/89/387569989.db2.gz PZZWQFRSXOVIAT-RYUDHWBXSA-N 1 3 241.379 0.962 20 0 BCADHO CCN(C)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422718186 387630542 /nfs/dbraw/zinc/63/05/42/387630542.db2.gz PGTNJPUUJBFXEP-RYUDHWBXSA-N 1 3 213.369 0.916 20 0 BCADHO CC[C@H](C)[C@H](O)CN[C@H]1CCC[C@H]1[NH3+] ZINC000422719479 387633445 /nfs/dbraw/zinc/63/34/45/387633445.db2.gz YGAAFWSSAGWNIW-ZRUFSTJUSA-N 1 3 200.326 0.863 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000430749853 387646290 /nfs/dbraw/zinc/64/62/90/387646290.db2.gz XQBUVZPRLSIDPC-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000430749853 387646291 /nfs/dbraw/zinc/64/62/91/387646291.db2.gz XQBUVZPRLSIDPC-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000430749854 387647035 /nfs/dbraw/zinc/64/70/35/387647035.db2.gz XQBUVZPRLSIDPC-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CNCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000430749854 387647036 /nfs/dbraw/zinc/64/70/36/387647036.db2.gz XQBUVZPRLSIDPC-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000424134951 387648561 /nfs/dbraw/zinc/64/85/61/387648561.db2.gz LGTPQDRBWRFVLJ-FRRDWIJNSA-N 1 3 247.342 0.753 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(C(N)=O)CCCC1 ZINC000422740216 387648835 /nfs/dbraw/zinc/64/88/35/387648835.db2.gz BCFQGCDJZBLEHL-QWRGUYRKSA-N 1 3 239.363 0.749 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)CN1 ZINC000356371893 387649732 /nfs/dbraw/zinc/64/97/32/387649732.db2.gz HHSCLEIEYKYYCB-YTWAJWBKSA-N 1 3 225.336 0.323 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000430896927 387657830 /nfs/dbraw/zinc/65/78/30/387657830.db2.gz LRKJVBATWGHPFJ-CMPLNLGQSA-N 1 3 239.363 0.537 20 0 BCADHO CN(C(=O)CCC[NH3+])[C@H]1CCN(C2CC2)C1 ZINC000430899809 387659209 /nfs/dbraw/zinc/65/92/09/387659209.db2.gz NMRFWPMFIOZUSZ-NSHDSACASA-N 1 3 225.336 0.420 20 0 BCADHO CNCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000430893650 387659697 /nfs/dbraw/zinc/65/96/97/387659697.db2.gz JWHOXBOTPWUPJD-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO [NH3+]C[C@@H]1CCN(CCC(=O)NC2CCCC2)C1 ZINC000430921945 387660712 /nfs/dbraw/zinc/66/07/12/387660712.db2.gz VXYCHVSSJFGENO-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424136582 387662276 /nfs/dbraw/zinc/66/22/76/387662276.db2.gz QYHUYVKBHFQNOJ-MXWKQRLJSA-N 1 3 225.336 0.182 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NCC(C)(C)N1CCOCC1 ZINC000422765961 387666702 /nfs/dbraw/zinc/66/67/02/387666702.db2.gz WOHOQZPSOXIIKS-VXGBXAGGSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@@H](N)C[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000422765961 387666703 /nfs/dbraw/zinc/66/67/03/387666703.db2.gz WOHOQZPSOXIIKS-VXGBXAGGSA-N 1 3 243.395 0.813 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000431022323 387670110 /nfs/dbraw/zinc/67/01/10/387670110.db2.gz NICAIGMHNQUEJZ-GUBZILKMSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H]([NH3+])CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000431022325 387670562 /nfs/dbraw/zinc/67/05/62/387670562.db2.gz NICAIGMHNQUEJZ-LPEHRKFASA-N 1 3 225.336 0.465 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)C[NH3+])CN1C1CC1 ZINC000431027952 387671054 /nfs/dbraw/zinc/67/10/54/387671054.db2.gz ZPAHDVCCEIZOHM-NXEZZACHSA-N 1 3 239.363 0.713 20 0 BCADHO C[NH2+]CCNC(=O)[C@@H](N)CC1CCCCC1 ZINC000422776223 387672066 /nfs/dbraw/zinc/67/20/66/387672066.db2.gz CHSPKKGKACDZMW-NSHDSACASA-N 1 3 227.352 0.620 20 0 BCADHO C[C@H](C(=O)N(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000356568757 387674573 /nfs/dbraw/zinc/67/45/73/387674573.db2.gz KLKIIJAXBYOORH-LLVKDONJSA-N 1 3 241.379 0.737 20 0 BCADHO CCC[C@H](C(=O)NCC[NH2+]C)N(C)C ZINC000422780127 387678266 /nfs/dbraw/zinc/67/82/66/387678266.db2.gz JWOPPAYXKMRWMQ-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO COCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]1N ZINC000422785325 387682568 /nfs/dbraw/zinc/68/25/68/387682568.db2.gz QVEOMKTZDYBQKV-NWDGAFQWSA-N 1 3 229.368 0.424 20 0 BCADHO CC[NH2+]CCNC(=O)C12CCCN1CCC2 ZINC000422784485 387683311 /nfs/dbraw/zinc/68/33/11/387683311.db2.gz MGVSZBQQDPGYAH-UHFFFAOYSA-N 1 3 225.336 0.341 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000376984496 387683680 /nfs/dbraw/zinc/68/36/80/387683680.db2.gz ASDVNDMLVNVENC-ZYHUDNBSSA-N 1 3 227.352 0.762 20 0 BCADHO CCCCNC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514422 387684830 /nfs/dbraw/zinc/68/48/30/387684830.db2.gz KGSRUQZYKROQGI-LLVKDONJSA-N 1 3 241.379 0.962 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CCN(C2CC2)C1 ZINC000422744181 387690043 /nfs/dbraw/zinc/69/00/43/387690043.db2.gz SKSOKIUJVJNKSJ-NQBHXWOUSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000422744181 387690047 /nfs/dbraw/zinc/69/00/47/387690047.db2.gz SKSOKIUJVJNKSJ-NQBHXWOUSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H](N[C@@H]1CCN(C2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000422743553 387690709 /nfs/dbraw/zinc/69/07/09/387690709.db2.gz RSALLRSFYKULGN-NQBHXWOUSA-N 1 3 223.364 0.953 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CCN(C2CC2)C1 ZINC000422744179 387691054 /nfs/dbraw/zinc/69/10/54/387691054.db2.gz SKSOKIUJVJNKSJ-MDZLAQPJSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000422744179 387691057 /nfs/dbraw/zinc/69/10/57/387691057.db2.gz SKSOKIUJVJNKSJ-MDZLAQPJSA-N 1 3 223.364 0.811 20 0 BCADHO C[C@@H](NCCN1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422862207 387743958 /nfs/dbraw/zinc/74/39/58/387743958.db2.gz PISMDUHMYFMUJG-NWDGAFQWSA-N 1 3 225.380 0.916 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NCCCO[C@H]1CCOC1 ZINC000422872949 387751562 /nfs/dbraw/zinc/75/15/62/387751562.db2.gz JHGVLCJWBNEHCL-FRRDWIJNSA-N 1 3 242.363 0.770 20 0 BCADHO CCC[C@H](C(=O)NCC(C)(C)[NH3+])N(C)C ZINC000422874819 387751782 /nfs/dbraw/zinc/75/17/82/387751782.db2.gz DHNFZGCZSUZSPJ-SECBINFHSA-N 1 3 215.341 0.570 20 0 BCADHO COC[C@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127336261 387711918 /nfs/dbraw/zinc/71/19/18/387711918.db2.gz VQLCFBYGTNJVSP-QJPTWQEYSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127336261 387711921 /nfs/dbraw/zinc/71/19/21/387711921.db2.gz VQLCFBYGTNJVSP-QJPTWQEYSA-N 1 3 230.352 0.408 20 0 BCADHO Cc1nccn1CC[NH2+][C@H]1CNCC[C@@H]1C ZINC000422830242 387724376 /nfs/dbraw/zinc/72/43/76/387724376.db2.gz CJFRRCWRJYHVIQ-JQWIXIFHSA-N 1 3 222.336 0.779 20 0 BCADHO Cc1nccn1CCN[C@H]1C[NH2+]CC[C@@H]1C ZINC000422830242 387724382 /nfs/dbraw/zinc/72/43/82/387724382.db2.gz CJFRRCWRJYHVIQ-JQWIXIFHSA-N 1 3 222.336 0.779 20 0 BCADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000367617554 387734490 /nfs/dbraw/zinc/73/44/90/387734490.db2.gz QPEUVYMFDYCPGN-LOWDOPEQSA-N 1 3 242.363 0.456 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129284519 387766381 /nfs/dbraw/zinc/76/63/81/387766381.db2.gz YTBJIQMEKJBCIB-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO C[C@H](CC(N)=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000129284519 387766386 /nfs/dbraw/zinc/76/63/86/387766386.db2.gz YTBJIQMEKJBCIB-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO COCCN(C)CC[NH2+][C@@H]1CNCC[C@H]1C ZINC000422904540 387767509 /nfs/dbraw/zinc/76/75/09/387767509.db2.gz GXMACHKFKSENJC-VXGBXAGGSA-N 1 3 229.368 0.152 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCN1C ZINC000422908556 387769278 /nfs/dbraw/zinc/76/92/78/387769278.db2.gz YQJDENBXVDVLJQ-IJLUTSLNSA-N 1 3 211.353 0.668 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CC(=O)N(C2CC2)C1 ZINC000422924089 387776884 /nfs/dbraw/zinc/77/68/84/387776884.db2.gz XQGVVBLIFRGXOW-AEJSXWLSSA-N 1 3 225.336 0.465 20 0 BCADHO CC(C)[C@H](O)C[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422986589 387796141 /nfs/dbraw/zinc/79/61/41/387796141.db2.gz CVCFFVQEUZNTRO-IJLUTSLNSA-N 1 3 214.353 0.981 20 0 BCADHO CC(C)[C@H](O)CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000422986589 387796145 /nfs/dbraw/zinc/79/61/45/387796145.db2.gz CVCFFVQEUZNTRO-IJLUTSLNSA-N 1 3 214.353 0.981 20 0 BCADHO CC[C@@H](C)[C@@H](N)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193639547 387798247 /nfs/dbraw/zinc/79/82/47/387798247.db2.gz NACZGKGFOFYYJN-GWOFURMSSA-N 1 3 227.352 0.617 20 0 BCADHO CC[N@H+](C)CCNC(=O)[C@H](N)CCSC ZINC000163611245 387799911 /nfs/dbraw/zinc/79/99/11/387799911.db2.gz JJKYUSDBIREPJI-SECBINFHSA-N 1 3 233.381 0.135 20 0 BCADHO CC[N@@H+](C)CCNC(=O)[C@H](N)CCSC ZINC000163611245 387799916 /nfs/dbraw/zinc/79/99/16/387799916.db2.gz JJKYUSDBIREPJI-SECBINFHSA-N 1 3 233.381 0.135 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000051694730 387800159 /nfs/dbraw/zinc/80/01/59/387800159.db2.gz GEVYUZODZZZQRQ-SFXRXQKFSA-N 1 3 227.352 0.746 20 0 BCADHO C[C@H](N)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000309477575 387804404 /nfs/dbraw/zinc/80/44/04/387804404.db2.gz SGIKBYFQVKEGEJ-IZJGZUANSA-N 1 3 211.309 0.075 20 0 BCADHO CC(C)[C@@H](Cn1cccn1)NC[C@@H](C)[NH3+] ZINC000643526922 387759691 /nfs/dbraw/zinc/75/96/91/387759691.db2.gz HQIDEHMUBMUOGF-GHMZBOCLSA-N 1 3 210.325 0.845 20 0 BCADHO C[C@H](NC[C@@H](O)CN(C)C)[C@@H]1CCCC[NH2+]1 ZINC000422973252 387821783 /nfs/dbraw/zinc/82/17/83/387821783.db2.gz BONYSBUMJWHZMV-TUAOUCFPSA-N 1 3 229.368 0.029 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000424156333 387823316 /nfs/dbraw/zinc/82/33/16/387823316.db2.gz OWMCBNSZBDYPFZ-UHRVGPHTSA-N 1 3 237.347 0.356 20 0 BCADHO CC(C)[C@](C)(O)CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422975783 387825901 /nfs/dbraw/zinc/82/59/01/387825901.db2.gz HGYYRCZODYCSJJ-HBNTYKKESA-N 1 3 200.326 0.863 20 0 BCADHO N[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000423010297 387833403 /nfs/dbraw/zinc/83/34/03/387833403.db2.gz XKHNECMVCMHBDO-MNOVXSKESA-N 1 3 220.320 0.963 20 0 BCADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424159412 387839899 /nfs/dbraw/zinc/83/98/99/387839899.db2.gz SPMIGJFCQIFPLJ-UTUOFQBUSA-N 1 3 239.363 0.570 20 0 BCADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000424159412 387839902 /nfs/dbraw/zinc/83/99/02/387839902.db2.gz SPMIGJFCQIFPLJ-UTUOFQBUSA-N 1 3 239.363 0.570 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000070502766 387840025 /nfs/dbraw/zinc/84/00/25/387840025.db2.gz JQUFIXBPFBQGJB-WDEREUQCSA-N 1 3 225.336 0.326 20 0 BCADHO CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]1CN(C)C ZINC000061644082 387842777 /nfs/dbraw/zinc/84/27/77/387842777.db2.gz OBVFOPDFXFLNJC-RYUDHWBXSA-N 1 3 241.379 0.770 20 0 BCADHO C[C@@H](NC[C@]1(O)CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033442 387848277 /nfs/dbraw/zinc/84/82/77/387848277.db2.gz GRQNZEXYXHDOEF-JHJVBQTASA-N 1 3 241.379 0.173 20 0 BCADHO C[C@@H](NC[C@@]1(O)CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000423033444 387849627 /nfs/dbraw/zinc/84/96/27/387849627.db2.gz GRQNZEXYXHDOEF-UPJWGTAASA-N 1 3 241.379 0.173 20 0 BCADHO CC1=CCN(CCNC2CC[NH2+]CC2)CC1 ZINC000423036720 387851830 /nfs/dbraw/zinc/85/18/30/387851830.db2.gz LJXUTGPHZMTZBZ-UHFFFAOYSA-N 1 3 223.364 0.980 20 0 BCADHO CC1=CCN(CC[NH2+]C2CCNCC2)CC1 ZINC000423036720 387851835 /nfs/dbraw/zinc/85/18/35/387851835.db2.gz LJXUTGPHZMTZBZ-UHFFFAOYSA-N 1 3 223.364 0.980 20 0 BCADHO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)CN1C1CC1 ZINC000643537564 387874179 /nfs/dbraw/zinc/87/41/79/387874179.db2.gz LTQMSUYWXIRTEM-BJDJZHNGSA-N 1 3 241.354 0.901 20 0 BCADHO C[C@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)CN1C1CC1 ZINC000643537564 387874181 /nfs/dbraw/zinc/87/41/81/387874181.db2.gz LTQMSUYWXIRTEM-BJDJZHNGSA-N 1 3 241.354 0.901 20 0 BCADHO CCOC(C[N@H+]1C[C@H]2CN(C)C[C@H]2C1)OCC ZINC000193637911 387858327 /nfs/dbraw/zinc/85/83/27/387858327.db2.gz ODHZQXBRPUBIFB-TXEJJXNPSA-N 1 3 242.363 0.879 20 0 BCADHO CCOC(C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1)OCC ZINC000193637911 387858331 /nfs/dbraw/zinc/85/83/31/387858331.db2.gz ODHZQXBRPUBIFB-TXEJJXNPSA-N 1 3 242.363 0.879 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000424180895 387893563 /nfs/dbraw/zinc/89/35/63/387893563.db2.gz WRKJEEUTIMUJPT-WDEREUQCSA-N 1 3 247.298 0.454 20 0 BCADHO CC(C)[C@H](CO)CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423113618 387896180 /nfs/dbraw/zinc/89/61/80/387896180.db2.gz URDDIACRLQAHNO-DCAQKATOSA-N 1 3 200.326 0.720 20 0 BCADHO N[C@@H]1C[C@@H]1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000424182698 387897211 /nfs/dbraw/zinc/89/72/11/387897211.db2.gz ZVHCXVZFVXWLEN-SDDRHHMPSA-N 1 3 237.347 0.182 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537237 387874977 /nfs/dbraw/zinc/87/49/77/387874977.db2.gz BOHUJULCLFQLRP-MPPDQPJWSA-N 1 3 241.354 0.759 20 0 BCADHO [NH3+][C@H]1CCCCC[C@@H]1NC[C@@H]1C[C@H](F)CN1 ZINC000643538657 387877251 /nfs/dbraw/zinc/87/72/51/387877251.db2.gz QYBPMWUVBVQBAT-BJDJZHNGSA-N 1 3 229.343 0.936 20 0 BCADHO C[C@@H](NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCCC[NH2+]1 ZINC000643538251 387878404 /nfs/dbraw/zinc/87/84/04/387878404.db2.gz CIKDSYBYQAVNON-RHYQMDGZSA-N 1 3 229.343 0.807 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000157863992 387878897 /nfs/dbraw/zinc/87/88/97/387878897.db2.gz BZLFGZOCQVVPIX-VHSXEESVSA-N 1 3 213.325 0.195 20 0 BCADHO CCOC1CC(O)(C[NH2+][C@@H]2CCC[C@H]2CN)C1 ZINC000423086141 387880968 /nfs/dbraw/zinc/88/09/68/387880968.db2.gz LJYUMCJDKAOAAI-GMKTYKIGSA-N 1 3 242.363 0.633 20 0 BCADHO CCOC(=O)C1([C@@H](C)NCCF)CC[NH2+]CC1 ZINC000423093255 387883282 /nfs/dbraw/zinc/88/32/82/387883282.db2.gz GTJAQCAGASPINZ-SNVBAGLBSA-N 1 3 246.326 0.867 20 0 BCADHO OCCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157939473 387885863 /nfs/dbraw/zinc/88/58/63/387885863.db2.gz RHWNFUPQQNRWHW-VXGBXAGGSA-N 1 3 212.337 0.975 20 0 BCADHO OCCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157939473 387885866 /nfs/dbraw/zinc/88/58/66/387885866.db2.gz RHWNFUPQQNRWHW-VXGBXAGGSA-N 1 3 212.337 0.975 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423116664 387898743 /nfs/dbraw/zinc/89/87/43/387898743.db2.gz QXOBSBBEGDVMIN-YFKTTZPYSA-N 1 3 239.363 0.855 20 0 BCADHO CN(C)CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344786 387916531 /nfs/dbraw/zinc/91/65/31/387916531.db2.gz KXKQERNCBYLEGE-LLVKDONJSA-N 1 3 242.367 0.237 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[NH2+]C2)CCCC1 ZINC000237801117 387929629 /nfs/dbraw/zinc/92/96/29/387929629.db2.gz BEYLXSWJRZHFDU-JTQLQIEISA-N 1 3 225.336 0.374 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCCCN1 ZINC000237990560 387930583 /nfs/dbraw/zinc/93/05/83/387930583.db2.gz DHBJQTMPYDSTFI-QWRGUYRKSA-N 1 3 225.336 0.244 20 0 BCADHO O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCCN1 ZINC000237931453 387927521 /nfs/dbraw/zinc/92/75/21/387927521.db2.gz DHBJQTMPYDSTFI-GHMZBOCLSA-N 1 3 225.336 0.244 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCN1CC=CCC1 ZINC000392248846 387945824 /nfs/dbraw/zinc/94/58/24/387945824.db2.gz SRTXUGMFAJZVCL-STQMWFEESA-N 1 3 223.364 0.965 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000392248846 387945828 /nfs/dbraw/zinc/94/58/28/387945828.db2.gz SRTXUGMFAJZVCL-STQMWFEESA-N 1 3 223.364 0.965 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@@H]1NCCC(C)(C)CO ZINC000423165124 387947407 /nfs/dbraw/zinc/94/74/07/387947407.db2.gz XWXNQZZKXSKQFI-MNOVXSKESA-N 1 3 214.353 0.983 20 0 BCADHO C[C@H]1CC[NH2+]C[C@H]1NCCC(C)(C)CO ZINC000423165126 387948667 /nfs/dbraw/zinc/94/86/67/387948667.db2.gz XWXNQZZKXSKQFI-WDEREUQCSA-N 1 3 214.353 0.983 20 0 BCADHO COc1ccc(C[C@H](C)[NH2+]CCCN)cn1 ZINC000423196013 387981590 /nfs/dbraw/zinc/98/15/90/387981590.db2.gz UHNWYOCBXJZMIZ-JTQLQIEISA-N 1 3 223.320 0.960 20 0 BCADHO COc1ccc(C[C@H](C)NCCC[NH3+])cn1 ZINC000423196013 387981593 /nfs/dbraw/zinc/98/15/93/387981593.db2.gz UHNWYOCBXJZMIZ-JTQLQIEISA-N 1 3 223.320 0.960 20 0 BCADHO COCCN1CC[C@@H](N[C@H]2CCC[NH2+]C2)C1 ZINC000423196949 387981696 /nfs/dbraw/zinc/98/16/96/387981696.db2.gz XAAPJVBOPYMSQY-NWDGAFQWSA-N 1 3 227.352 0.049 20 0 BCADHO C[NH2+]CCCN[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000423201269 387988235 /nfs/dbraw/zinc/98/82/35/387988235.db2.gz OGSCVBBTMPMLRY-WDEREUQCSA-N 1 3 211.353 0.811 20 0 BCADHO FC1(F)CNCC[C@@H]1CNC[C@@H]1CCC[NH2+]C1 ZINC000424364192 387989655 /nfs/dbraw/zinc/98/96/55/387989655.db2.gz DBFFKPOVKTZIID-GHMZBOCLSA-N 1 3 247.333 0.820 20 0 BCADHO FC1(F)CNCC[C@@H]1C[NH2+]C[C@@H]1CCCNC1 ZINC000424364192 387989661 /nfs/dbraw/zinc/98/96/61/387989661.db2.gz DBFFKPOVKTZIID-GHMZBOCLSA-N 1 3 247.333 0.820 20 0 BCADHO C[NH+](C)[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)C1CC1 ZINC000446280510 388010150 /nfs/dbraw/zinc/01/01/50/388010150.db2.gz IPWRLLLEKWYRQL-HBNTYKKESA-N 1 3 243.326 0.143 20 0 BCADHO CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000082280860 388022116 /nfs/dbraw/zinc/02/21/16/388022116.db2.gz GCTFHCBPRPABMH-VXGBXAGGSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424478447 388034978 /nfs/dbraw/zinc/03/49/78/388034978.db2.gz NLUUIYQHDJCFPI-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](C)C(C)(C)n1cncn1 ZINC000423256154 388037550 /nfs/dbraw/zinc/03/75/50/388037550.db2.gz BISHUBWNVGECCL-QWRGUYRKSA-N 1 3 239.367 0.847 20 0 BCADHO COCCN1CC[C@H]([NH2+][C@@H](CN)CC(C)C)C1 ZINC000423257922 388037919 /nfs/dbraw/zinc/03/79/19/388037919.db2.gz ASNHBGLNSFKRTQ-QWHCGFSZSA-N 1 3 243.395 0.670 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000423273858 388053519 /nfs/dbraw/zinc/05/35/19/388053519.db2.gz LJHARLDLDJPFJF-LNFKQOIKSA-N 1 3 200.326 0.997 20 0 BCADHO C[NH2+]C[C@H](C)CN[C@@H](C)[C@@H]1CCCO1 ZINC000423274880 388054966 /nfs/dbraw/zinc/05/49/66/388054966.db2.gz MKJJYEZGBAYFBX-DCAQKATOSA-N 1 3 200.326 0.999 20 0 BCADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(N)CC2)C1 ZINC000083836041 388064037 /nfs/dbraw/zinc/06/40/37/388064037.db2.gz RTNKLWOMFQOBMV-SNVBAGLBSA-N 1 3 225.336 0.420 20 0 BCADHO C[C@@H](N)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000083889465 388065670 /nfs/dbraw/zinc/06/56/70/388065670.db2.gz GGHAWMYVXDZGFK-SECBINFHSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N)CN1C1CC1 ZINC000423287961 388073250 /nfs/dbraw/zinc/07/32/50/388073250.db2.gz PQTKALWLFOISSO-NXEZZACHSA-N 1 3 211.353 0.939 20 0 BCADHO C[C@@H]1C[C@@H](NCC(C)(C)[NH3+])CN1C1CC1 ZINC000423287961 388073254 /nfs/dbraw/zinc/07/32/54/388073254.db2.gz PQTKALWLFOISSO-NXEZZACHSA-N 1 3 211.353 0.939 20 0 BCADHO CCCN(C)CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000447518315 388074374 /nfs/dbraw/zinc/07/43/74/388074374.db2.gz NOPSEHKJKZRKSY-MNOVXSKESA-N 1 3 227.352 0.585 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H](C)C[NH3+] ZINC000423293842 388076429 /nfs/dbraw/zinc/07/64/29/388076429.db2.gz AVWZBVQWWSKIQY-WDEREUQCSA-N 1 3 229.368 0.818 20 0 BCADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN ZINC000423293842 388076430 /nfs/dbraw/zinc/07/64/30/388076430.db2.gz AVWZBVQWWSKIQY-WDEREUQCSA-N 1 3 229.368 0.818 20 0 BCADHO CN1CCC[C@@H]1CC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447914268 388102861 /nfs/dbraw/zinc/10/28/61/388102861.db2.gz OSFHEUMKXGXGKL-JHJVBQTASA-N 1 3 242.363 0.600 20 0 BCADHO COCCN1CC[C@H]([NH2+]C[C@H](N)C(C)C)C1 ZINC000423271321 388049528 /nfs/dbraw/zinc/04/95/28/388049528.db2.gz IXZQUKPQMSZSPU-RYUDHWBXSA-N 1 3 229.368 0.280 20 0 BCADHO COCCN1CC[C@H](NC[C@H]([NH3+])C(C)C)C1 ZINC000423271321 388049530 /nfs/dbraw/zinc/04/95/30/388049530.db2.gz IXZQUKPQMSZSPU-RYUDHWBXSA-N 1 3 229.368 0.280 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCCN(C)C1 ZINC000646185814 388161343 /nfs/dbraw/zinc/16/13/43/388161343.db2.gz KJLRIYRAYGYGDL-HBNTYKKESA-N 1 3 242.367 0.506 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000646216794 388167151 /nfs/dbraw/zinc/16/71/51/388167151.db2.gz XTAHQCBEMHMXRG-UKKRHICBSA-N 1 3 242.367 0.504 20 0 BCADHO CCN1CCCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000449343055 388176732 /nfs/dbraw/zinc/17/67/32/388176732.db2.gz HKXINWGOJNBCRZ-NSHDSACASA-N 1 3 239.363 0.858 20 0 BCADHO CC[N@H+](CCNC(=O)C1(N)CCC1)C(C)C ZINC000449342627 388176850 /nfs/dbraw/zinc/17/68/50/388176850.db2.gz CUFOIIJBNUJGES-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CC[N@@H+](CCNC(=O)C1(N)CCC1)C(C)C ZINC000449342627 388176852 /nfs/dbraw/zinc/17/68/52/388176852.db2.gz CUFOIIJBNUJGES-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[NH2+]C2)[C@@H](C)CN1 ZINC000646297883 388178368 /nfs/dbraw/zinc/17/83/68/388178368.db2.gz WMIRVVQPLDWRBK-VWYCJHECSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000488503324 388182744 /nfs/dbraw/zinc/18/27/44/388182744.db2.gz UKIRAIUTIDFJOQ-DCAQKATOSA-N 1 3 227.352 0.250 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000488503324 388182745 /nfs/dbraw/zinc/18/27/45/388182745.db2.gz UKIRAIUTIDFJOQ-DCAQKATOSA-N 1 3 227.352 0.250 20 0 BCADHO CC[C@@H](CN1CCCC1)NC(=O)[C@@H](C)C[NH2+]C ZINC000646012186 388124271 /nfs/dbraw/zinc/12/42/71/388124271.db2.gz HWOUBTCSVUVGDH-RYUDHWBXSA-N 1 3 241.379 0.833 20 0 BCADHO C[C@@H](CNC(=O)NCCN(C)C1CC1)[NH+](C)C ZINC000454635267 388126325 /nfs/dbraw/zinc/12/63/25/388126325.db2.gz DQMYPLJUOSFEKM-JTQLQIEISA-N 1 3 242.367 0.330 20 0 BCADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1CC ZINC000449078813 388139702 /nfs/dbraw/zinc/13/97/02/388139702.db2.gz YTYOOZCJEMZDLV-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCN1C ZINC000449101484 388143187 /nfs/dbraw/zinc/14/31/87/388143187.db2.gz FKQZSAOAOUVALM-GHMZBOCLSA-N 1 3 227.352 0.585 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000449118682 388145286 /nfs/dbraw/zinc/14/52/86/388145286.db2.gz ZCIRDJVBDBJDNI-OUAUKWLOSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000449120347 388145750 /nfs/dbraw/zinc/14/57/50/388145750.db2.gz CQYGVEPVYNJABO-NHCYSSNCSA-N 1 3 239.363 0.713 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](C)NC1CC1 ZINC000449125747 388146073 /nfs/dbraw/zinc/14/60/73/388146073.db2.gz TZWOAVUBLKBWIM-JOYOIKCWSA-N 1 3 227.352 0.617 20 0 BCADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)NC1CC1 ZINC000449142491 388147383 /nfs/dbraw/zinc/14/73/83/388147383.db2.gz TUMGFSTZTSFNNP-JQWIXIFHSA-N 1 3 241.379 0.959 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)C1(N)CCC1 ZINC000449137804 388147695 /nfs/dbraw/zinc/14/76/95/388147695.db2.gz AIQGGCNZCNEBGQ-SECBINFHSA-N 1 3 213.325 0.502 20 0 BCADHO O=C(C[NH2+]CC1CC1)N[C@H]1CNCCC1(F)F ZINC000449661400 388249716 /nfs/dbraw/zinc/24/97/16/388249716.db2.gz ZTLXFLFRXUBURL-VIFPVBQESA-N 1 3 247.289 0.099 20 0 BCADHO CCN(CC)CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449662889 388250574 /nfs/dbraw/zinc/25/05/74/388250574.db2.gz HJYFRPICNJUEFT-SECBINFHSA-N 1 3 249.305 0.442 20 0 BCADHO CC(C)N(C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000449680753 388251140 /nfs/dbraw/zinc/25/11/40/388251140.db2.gz KTJCKIATTDCVJE-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000449402236 388195412 /nfs/dbraw/zinc/19/54/12/388195412.db2.gz QEVXDAVEUSGCOX-WCABBAIRSA-N 1 3 225.336 0.241 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646313175 388203076 /nfs/dbraw/zinc/20/30/76/388203076.db2.gz XGFYHMPOYAITNJ-DGCLKSJQSA-N 1 3 239.363 0.572 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C1(N)CCCCC1 ZINC000489462966 388215751 /nfs/dbraw/zinc/21/57/51/388215751.db2.gz GVULJJIYWMVEGR-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN[C@H](C)[C@H]1C ZINC000449490517 388217948 /nfs/dbraw/zinc/21/79/48/388217948.db2.gz CFJGVFYPENGYGB-GWOFURMSSA-N 1 3 225.336 0.051 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000449490519 388218096 /nfs/dbraw/zinc/21/80/96/388218096.db2.gz CFJGVFYPENGYGB-LMLFDSFASA-N 1 3 225.336 0.051 20 0 BCADHO CC(C)[C@H](C(=O)N[C@@H](C)CCC[NH3+])N(C)C ZINC000449572286 388236068 /nfs/dbraw/zinc/23/60/68/388236068.db2.gz MXVVUZKMXVSIQS-WDEREUQCSA-N 1 3 229.368 0.816 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449570417 388236306 /nfs/dbraw/zinc/23/63/06/388236306.db2.gz JKNLJHFZFNOXAN-RNFDROQYSA-N 1 3 237.347 0.193 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449582805 388238456 /nfs/dbraw/zinc/23/84/56/388238456.db2.gz ARMDPJZCVRIYIO-MAUMQABQSA-N 1 3 201.314 0.212 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C ZINC000449597443 388239633 /nfs/dbraw/zinc/23/96/33/388239633.db2.gz FGIIDGKYGGINCU-JGVFFNPUSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])N(C)C ZINC000449605908 388240482 /nfs/dbraw/zinc/24/04/82/388240482.db2.gz XHKGTFPDGFIANV-IVZWLZJFSA-N 1 3 215.341 0.425 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)[C@@H](C(C)C)N(C)C ZINC000449608914 388242747 /nfs/dbraw/zinc/24/27/47/388242747.db2.gz LJAVFVBJGHHGSM-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CCCN(C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000449640441 388247952 /nfs/dbraw/zinc/24/79/52/388247952.db2.gz BFEPTCZBFJZUFS-VXGBXAGGSA-N 1 3 241.379 0.962 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)/C=C/CN(C)C ZINC000491845184 388324524 /nfs/dbraw/zinc/32/45/24/388324524.db2.gz JSCWWACGTAQLHE-BCPZQOPPSA-N 1 3 241.379 0.951 20 0 BCADHO CN(C)C/C=C/C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000491864688 388325173 /nfs/dbraw/zinc/32/51/73/388325173.db2.gz GSCSVKGKAKYIRE-BTDICHCPSA-N 1 3 239.363 0.561 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000491869760 388325530 /nfs/dbraw/zinc/32/55/30/388325530.db2.gz NLIDYCWPODPNJP-SMYYYNMVSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C\C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000491869760 388325531 /nfs/dbraw/zinc/32/55/31/388325531.db2.gz NLIDYCWPODPNJP-SMYYYNMVSA-N 1 3 239.363 0.562 20 0 BCADHO CN(C)C/C=C\C(=O)NCC(C)(C)[NH+](C)C ZINC000491893130 388326806 /nfs/dbraw/zinc/32/68/06/388326806.db2.gz NILWIARCTAWHHM-FPLPWBNLSA-N 1 3 227.352 0.561 20 0 BCADHO CCN1CCC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000491910861 388327404 /nfs/dbraw/zinc/32/74/04/388327404.db2.gz ZGMFSYQGNWFOGO-WAFBPQNNSA-N 1 3 239.363 0.705 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336365 388262216 /nfs/dbraw/zinc/26/22/16/388262216.db2.gz QAXLCNYODHNZRA-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953097 388268796 /nfs/dbraw/zinc/26/87/96/388268796.db2.gz ANFHBZVGXMIKGG-NHCYSSNCSA-N 1 3 239.363 0.570 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953258 388269043 /nfs/dbraw/zinc/26/90/43/388269043.db2.gz LTUOUDKUWWOSLC-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000645953258 388269045 /nfs/dbraw/zinc/26/90/45/388269045.db2.gz LTUOUDKUWWOSLC-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO N[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)C1CCC1 ZINC000516561972 388344659 /nfs/dbraw/zinc/34/46/59/388344659.db2.gz BKKVDFSKFWKJIG-GHMZBOCLSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]1CCN(CCc2ccnn2C)C[C@H]1C[NH3+] ZINC000300018119 388344691 /nfs/dbraw/zinc/34/46/91/388344691.db2.gz UZTIIHPDGZEECP-VXGBXAGGSA-N 1 3 236.363 0.879 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000646369505 388347279 /nfs/dbraw/zinc/34/72/79/388347279.db2.gz NBFBJNGIFJNKNP-GARJFASQSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)N1CCCC1 ZINC000646408516 388351956 /nfs/dbraw/zinc/35/19/56/388351956.db2.gz VYGQAFPKEGBWRL-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000516584017 388358119 /nfs/dbraw/zinc/35/81/19/388358119.db2.gz MFKALVOCXKJLDY-VWYCJHECSA-N 1 3 237.347 0.609 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCN2CCC1CC2 ZINC000646450228 388360850 /nfs/dbraw/zinc/36/08/50/388360850.db2.gz MJZDGQFBNCRYNL-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO CN1CCC[C@H]1CC[N@H+](C)CCC(N)=O ZINC000353169364 135167277 /nfs/dbraw/zinc/16/72/77/135167277.db2.gz OLPPADIBHVJYHG-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO CN1CCC[C@H]1CC[N@@H+](C)CCC(N)=O ZINC000353169364 135167278 /nfs/dbraw/zinc/16/72/78/135167278.db2.gz OLPPADIBHVJYHG-JTQLQIEISA-N 1 3 213.325 0.278 20 0 BCADHO C[C@@H](NC(=O)[C@@H]1CNCc2ccccc21)[C@H](C)[NH3+] ZINC000572760866 388374593 /nfs/dbraw/zinc/37/45/93/388374593.db2.gz GNRHGJZPPGJFDJ-OPQQBVKSSA-N 1 3 247.342 0.725 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646523205 388375234 /nfs/dbraw/zinc/37/52/34/388375234.db2.gz NQYGGEDGCIHUKL-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236692281 388382354 /nfs/dbraw/zinc/38/23/54/388382354.db2.gz OWAWIRSUTRNARU-GHMZBOCLSA-N 1 3 241.379 0.866 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CC)C1 ZINC000236764644 388382614 /nfs/dbraw/zinc/38/26/14/388382614.db2.gz LXDIVPNLXRVOGA-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)CC)C1 ZINC000236764644 388382615 /nfs/dbraw/zinc/38/26/15/388382615.db2.gz LXDIVPNLXRVOGA-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO CCCC[N@H+](C)CCNC(=O)[C@@H](N)CC ZINC000236712253 388382729 /nfs/dbraw/zinc/38/27/29/388382729.db2.gz PMBHPYKUUPICJI-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCCC[N@@H+](C)CCNC(=O)[C@@H](N)CC ZINC000236712253 388382733 /nfs/dbraw/zinc/38/27/33/388382733.db2.gz PMBHPYKUUPICJI-JTQLQIEISA-N 1 3 215.341 0.572 20 0 BCADHO CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000236810938 388383446 /nfs/dbraw/zinc/38/34/46/388383446.db2.gz WSPZONLSPASNBE-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000316148305 388406124 /nfs/dbraw/zinc/40/61/24/388406124.db2.gz JIHDYACTXZGIPE-TUAOUCFPSA-N 1 3 212.337 0.864 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236963520 388387113 /nfs/dbraw/zinc/38/71/13/388387113.db2.gz WLTYLKIQFYCTJX-BBBLOLIVSA-N 1 3 213.325 0.228 20 0 BCADHO C[NH2+]CC(=O)NC[C@H](N)c1ccccc1OC ZINC000646600712 388393559 /nfs/dbraw/zinc/39/35/59/388393559.db2.gz OFIFLPYDFOLQPE-JTQLQIEISA-N 1 3 237.303 0.031 20 0 BCADHO C[C@@H](CCNC(=O)CN)[N@H+](C)Cc1ccccc1 ZINC000237559760 388397008 /nfs/dbraw/zinc/39/70/08/388397008.db2.gz WKVMJSSJJQAEOG-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@@H](CCNC(=O)CN)[N@@H+](C)Cc1ccccc1 ZINC000237559760 388397011 /nfs/dbraw/zinc/39/70/11/388397011.db2.gz WKVMJSSJJQAEOG-LBPRGKRZSA-N 1 3 249.358 0.972 20 0 BCADHO C[C@H](NC1CC1)C(=O)N(C)C1CC[NH2+]CC1 ZINC000646629455 388398388 /nfs/dbraw/zinc/39/83/88/388398388.db2.gz OFLQIQVZNMALMF-VIFPVBQESA-N 1 3 225.336 0.337 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCCN1 ZINC000238038747 388400437 /nfs/dbraw/zinc/40/04/37/388400437.db2.gz LNDHMYNZXRPDNJ-HBNTYKKESA-N 1 3 225.336 0.372 20 0 BCADHO CC[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000515058898 256732538 /nfs/dbraw/zinc/73/25/38/256732538.db2.gz HGFZTZMADKDVAJ-MCIGGMRASA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000646688189 388417233 /nfs/dbraw/zinc/41/72/33/388417233.db2.gz YTROQOKXTQYBCP-KOLCDFICSA-N 1 3 239.363 0.570 20 0 BCADHO C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 ZINC000646713327 388426272 /nfs/dbraw/zinc/42/62/72/388426272.db2.gz GFXLNBHORBDESS-ZJUUUORDSA-N 1 3 225.336 0.052 20 0 BCADHO CN[C@@H](C)C(=O)Nc1ccccc1C[NH2+]C ZINC000516491131 256776554 /nfs/dbraw/zinc/77/65/54/256776554.db2.gz WLESGYBIWWULMR-VIFPVBQESA-N 1 3 221.304 0.952 20 0 BCADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CCC[NH3+] ZINC000649273131 388483437 /nfs/dbraw/zinc/48/34/37/388483437.db2.gz MCULTPDQBQBVDI-QWRGUYRKSA-N 1 3 227.352 0.666 20 0 BCADHO CN1CCC(O)(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340251426 388488520 /nfs/dbraw/zinc/48/85/20/388488520.db2.gz PYSVOUVPWQBAAK-NSHDSACASA-N 1 3 242.363 0.600 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1NCC1(C)C ZINC000646798048 388511164 /nfs/dbraw/zinc/51/11/64/388511164.db2.gz WYJIWONOFZXVHZ-VIFPVBQESA-N 1 3 227.352 0.618 20 0 BCADHO NC1(C(=O)N2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000516866309 388521406 /nfs/dbraw/zinc/52/14/06/388521406.db2.gz MYVGWXVOCDJXFC-GMTAPVOTSA-N 1 3 237.347 0.454 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](CCCO)C1 ZINC000516876458 388522601 /nfs/dbraw/zinc/52/26/01/388522601.db2.gz YJXGYMZSRYGIOY-CHWSQXEVSA-N 1 3 244.379 0.393 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](CCCO)C1 ZINC000516876458 388522604 /nfs/dbraw/zinc/52/26/04/388522604.db2.gz YJXGYMZSRYGIOY-CHWSQXEVSA-N 1 3 244.379 0.393 20 0 BCADHO CO[C@@H](CN)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000517024496 388533883 /nfs/dbraw/zinc/53/38/83/388533883.db2.gz DDBYFVKOPQPVCY-LBPRGKRZSA-N 1 3 249.314 0.245 20 0 BCADHO N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000517041050 388536418 /nfs/dbraw/zinc/53/64/18/388536418.db2.gz DBXKQLBOIBRFBN-VXGBXAGGSA-N 1 3 239.363 0.858 20 0 BCADHO [NH3+]CCCCC(=O)NCCNc1ccncc1 ZINC000517562612 388553670 /nfs/dbraw/zinc/55/36/70/388553670.db2.gz WNJBCMQRVOFIBR-UHFFFAOYSA-N 1 3 236.319 0.161 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000517719695 388557321 /nfs/dbraw/zinc/55/73/21/388557321.db2.gz NOENOZRQFNTTDO-UTUOFQBUSA-N 1 3 239.363 0.490 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000521041794 388560705 /nfs/dbraw/zinc/56/07/05/388560705.db2.gz ZKGOJWLIGULDMW-KKZNHRDASA-N 1 3 225.336 0.384 20 0 BCADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000530182677 388624207 /nfs/dbraw/zinc/62/42/07/388624207.db2.gz YPGHXBGKMGGKTJ-JHJVBQTASA-N 1 3 239.363 0.191 20 0 BCADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1COCCN1 ZINC000530182677 388624208 /nfs/dbraw/zinc/62/42/08/388624208.db2.gz YPGHXBGKMGGKTJ-JHJVBQTASA-N 1 3 239.363 0.191 20 0 BCADHO C[C@H](NCC12CC(C1)CO2)[C@H]1CC[NH2+]C1 ZINC000530217808 388630577 /nfs/dbraw/zinc/63/05/77/388630577.db2.gz CLIFNEDPWBIRPK-VOBJUBJWSA-N 1 3 210.321 0.753 20 0 BCADHO COc1ccc(CCN[C@@H](C)C2C[NH2+]C2)cn1 ZINC000530221274 388632901 /nfs/dbraw/zinc/63/29/01/388632901.db2.gz OSRJULUNEDSUSC-JTQLQIEISA-N 1 3 235.331 0.830 20 0 BCADHO COc1ccc(CC[NH2+][C@@H](C)C2CNC2)cn1 ZINC000530221274 388632904 /nfs/dbraw/zinc/63/29/04/388632904.db2.gz OSRJULUNEDSUSC-JTQLQIEISA-N 1 3 235.331 0.830 20 0 BCADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COCCN1 ZINC000530223145 388633956 /nfs/dbraw/zinc/63/39/56/388633956.db2.gz OVCHITABKMLWBW-FVCCEPFGSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1COCCN1 ZINC000530223145 388633960 /nfs/dbraw/zinc/63/39/60/388633960.db2.gz OVCHITABKMLWBW-FVCCEPFGSA-N 1 3 241.379 0.293 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1COCCN1 ZINC000530223145 388633962 /nfs/dbraw/zinc/63/39/62/388633962.db2.gz OVCHITABKMLWBW-FVCCEPFGSA-N 1 3 241.379 0.293 20 0 BCADHO C[N@H+](C[C@H](O)CN[C@H]1CCOC1(C)C)C1CC1 ZINC000328470464 388644002 /nfs/dbraw/zinc/64/40/02/388644002.db2.gz ZLLYANTYAMAKSZ-NEPJUHHUSA-N 1 3 242.363 0.599 20 0 BCADHO C[N@@H+](C[C@H](O)CN[C@H]1CCOC1(C)C)C1CC1 ZINC000328470464 388644004 /nfs/dbraw/zinc/64/40/04/388644004.db2.gz ZLLYANTYAMAKSZ-NEPJUHHUSA-N 1 3 242.363 0.599 20 0 BCADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000552883096 388739478 /nfs/dbraw/zinc/73/94/78/388739478.db2.gz OYPDKUIOTVLEJI-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000227117644 388740919 /nfs/dbraw/zinc/74/09/19/388740919.db2.gz VGZMZDLTBJJDMM-GRYCIOLGSA-N 1 3 237.347 0.420 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000522146140 388704954 /nfs/dbraw/zinc/70/49/54/388704954.db2.gz MEVJHKCEJNQTRE-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000522146140 388704956 /nfs/dbraw/zinc/70/49/56/388704956.db2.gz MEVJHKCEJNQTRE-LLVKDONJSA-N 1 3 239.363 0.539 20 0 BCADHO CC[C@@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000249115040 388709320 /nfs/dbraw/zinc/70/93/20/388709320.db2.gz NTRFOANFQOITMM-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](CO)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000249115040 388709321 /nfs/dbraw/zinc/70/93/21/388709321.db2.gz NTRFOANFQOITMM-SRVKXCTJSA-N 1 3 212.337 0.974 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000564992460 388906929 /nfs/dbraw/zinc/90/69/29/388906929.db2.gz LYXCZQOKCDDFIN-QJPTWQEYSA-N 1 3 239.363 0.714 20 0 BCADHO [NH3+]CCCN1CCC(c2ncc[nH]2)CC1 ZINC000565045771 388911551 /nfs/dbraw/zinc/91/15/51/388911551.db2.gz FZCRPHKAMLRHGE-UHFFFAOYSA-N 1 3 208.309 0.938 20 0 BCADHO C[C@@H]1CCN(CC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000565210321 388925971 /nfs/dbraw/zinc/92/59/71/388925971.db2.gz UDOJVZXABBQYEU-LLVKDONJSA-N 1 3 241.379 0.785 20 0 BCADHO CN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000565731969 388966099 /nfs/dbraw/zinc/96/60/99/388966099.db2.gz BHYQWEOJIMMYFP-UHFFFAOYSA-N 1 3 241.379 0.929 20 0 BCADHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)Cc1ccccc1 ZINC000565421350 388943401 /nfs/dbraw/zinc/94/34/01/388943401.db2.gz WNBQSMZQINMSTN-JQWIXIFHSA-N 1 3 235.331 0.410 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000566067898 388985751 /nfs/dbraw/zinc/98/57/51/388985751.db2.gz HPUSULXOBWGAAR-QXEWZRGKSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000566067896 388985868 /nfs/dbraw/zinc/98/58/68/388985868.db2.gz HPUSULXOBWGAAR-IQJOONFLSA-N 1 3 225.336 0.371 20 0 BCADHO CN1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2N)CC1=O ZINC000566091318 388987571 /nfs/dbraw/zinc/98/75/71/388987571.db2.gz XFFYOTIXNJLCIJ-OUAUKWLOSA-N 1 3 225.336 0.467 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158216451 133499714 /nfs/dbraw/zinc/49/97/14/133499714.db2.gz LLMDNMKGCBRFNT-RKDXNWHRSA-N 1 3 213.325 0.310 20 0 BCADHO C[C@H]([NH3+])CN1CCc2ccccc2[C@@H]1CN ZINC000335405053 133856947 /nfs/dbraw/zinc/85/69/47/133856947.db2.gz CATRXFYHMXUVQE-GWCFXTLKSA-N 1 3 219.332 0.892 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000335923350 134007867 /nfs/dbraw/zinc/00/78/67/134007867.db2.gz OIOGWAJLMIDMJF-BXKDBHETSA-N 1 3 227.352 0.557 20 0 BCADHO NC(C(=O)N1CCC(C[NH3+])CC1)C(F)(F)F ZINC000336003945 134048366 /nfs/dbraw/zinc/04/83/66/134048366.db2.gz CPBDADZPOBGRPB-ZETCQYMHSA-N 1 3 239.241 0.073 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCNCC1 ZINC000336005285 134049024 /nfs/dbraw/zinc/04/90/24/134049024.db2.gz NFTGNPLVSHYGKK-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2(N)CCC2)C1 ZINC000336219398 134138671 /nfs/dbraw/zinc/13/86/71/134138671.db2.gz NQKONGSKPOEBLJ-MNOVXSKESA-N 1 3 239.363 0.857 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000169110478 134249485 /nfs/dbraw/zinc/24/94/85/134249485.db2.gz QBTROBOTBZDKHQ-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](N)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000169110478 134249486 /nfs/dbraw/zinc/24/94/86/134249486.db2.gz QBTROBOTBZDKHQ-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](CNC(=O)[C@@H](C)C[NH3+])N(C)C1CC1 ZINC000218868621 134265238 /nfs/dbraw/zinc/26/52/38/134265238.db2.gz KFNLIKCSVREANL-DTWKUNHWSA-N 1 3 213.325 0.180 20 0 BCADHO COC[C@@H](O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057297 134297093 /nfs/dbraw/zinc/29/70/93/134297093.db2.gz VQLCFBYGTNJVSP-TUAOUCFPSA-N 1 3 230.352 0.408 20 0 BCADHO COC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177057297 134297094 /nfs/dbraw/zinc/29/70/94/134297094.db2.gz VQLCFBYGTNJVSP-TUAOUCFPSA-N 1 3 230.352 0.408 20 0 BCADHO CC[N@@H+]1CC[C@@H](NCCC(=O)N(C)C)[C@H](C)C1 ZINC000178293410 134305934 /nfs/dbraw/zinc/30/59/34/134305934.db2.gz XUDWYTXXJQBJFB-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@H+]1CC[C@@H](NCCC(=O)N(C)C)[C@H](C)C1 ZINC000178293410 134305935 /nfs/dbraw/zinc/30/59/35/134305935.db2.gz XUDWYTXXJQBJFB-VXGBXAGGSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178519428 134308095 /nfs/dbraw/zinc/30/80/95/134308095.db2.gz KEIQGUSADSBPKE-JTQLQIEISA-N 1 3 213.325 0.134 20 0 BCADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000178406934 134310162 /nfs/dbraw/zinc/31/01/62/134310162.db2.gz MUCAYRYJAHVLEL-JQWIXIFHSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178824356 134315824 /nfs/dbraw/zinc/31/58/24/134315824.db2.gz JTUWOJJYFBVXQM-RYUDHWBXSA-N 1 3 239.363 0.668 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000178815844 134315869 /nfs/dbraw/zinc/31/58/69/134315869.db2.gz BUSXAUUSPSUJSC-UTLUCORTSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000178815844 134315870 /nfs/dbraw/zinc/31/58/70/134315870.db2.gz BUSXAUUSPSUJSC-UTLUCORTSA-N 1 3 213.325 0.275 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000178867300 134316036 /nfs/dbraw/zinc/31/60/36/134316036.db2.gz IRJGTILJGFOWAD-FOGDFJRCSA-N 1 3 237.347 0.480 20 0 BCADHO CCCN(C(=O)CN(C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000178885288 134316292 /nfs/dbraw/zinc/31/62/92/134316292.db2.gz APUPXQINVOAZAB-LBPRGKRZSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000225247554 134351831 /nfs/dbraw/zinc/35/18/31/134351831.db2.gz VILXUIVPSSVUDU-AXFHLTTASA-N 1 3 216.325 0.066 20 0 BCADHO O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831114 134369737 /nfs/dbraw/zinc/36/97/37/134369737.db2.gz PJQSMFZWGLWATL-YNEHKIRRSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000226831114 134369738 /nfs/dbraw/zinc/36/97/38/134369738.db2.gz PJQSMFZWGLWATL-YNEHKIRRSA-N 1 3 224.348 0.974 20 0 BCADHO OCCOCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000227501600 134382175 /nfs/dbraw/zinc/38/21/75/134382175.db2.gz WYEFZKMYSGHMFL-CHWSQXEVSA-N 1 3 242.363 0.602 20 0 BCADHO OCCOCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000227501600 134382176 /nfs/dbraw/zinc/38/21/76/134382176.db2.gz WYEFZKMYSGHMFL-CHWSQXEVSA-N 1 3 242.363 0.602 20 0 BCADHO CC[NH+](CC)CCCNC(=O)C1(N)CCC1 ZINC000088050083 134426953 /nfs/dbraw/zinc/42/69/53/134426953.db2.gz BEIUMYXPBMTBSV-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CCC[NH2+]CCNC(=O)[C@H](N)C(C)C ZINC000154539209 134673228 /nfs/dbraw/zinc/67/32/28/134673228.db2.gz GSSOCHBKQMQKEL-SECBINFHSA-N 1 3 201.314 0.086 20 0 BCADHO C[C@H]([NH2+]CCOCCN(C)C)C1CC1 ZINC000235520371 135046822 /nfs/dbraw/zinc/04/68/22/135046822.db2.gz UBCYIKVOPLFOHC-JTQLQIEISA-N 1 3 200.326 0.953 20 0 BCADHO C(CN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH2+]C1 ZINC000251291262 135068008 /nfs/dbraw/zinc/06/80/08/135068008.db2.gz NROZDMVKNNRGNB-UTUOFQBUSA-N 1 3 210.321 0.849 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)CCN1C ZINC000251739096 135076952 /nfs/dbraw/zinc/07/69/52/135076952.db2.gz CSBZQVLPBFQWOV-UTUOFQBUSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000252198232 135086974 /nfs/dbraw/zinc/08/69/74/135086974.db2.gz VVILLYPXRWIEPG-HBNTYKKESA-N 1 3 227.352 0.713 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000252458017 135089496 /nfs/dbraw/zinc/08/94/96/135089496.db2.gz FVDNLMRZZJWPRH-LPEHRKFASA-N 1 3 215.341 0.426 20 0 BCADHO COC[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593437 135090266 /nfs/dbraw/zinc/09/02/66/135090266.db2.gz NUIIRCAKUODQTP-QWHCGFSZSA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593437 135090267 /nfs/dbraw/zinc/09/02/67/135090267.db2.gz NUIIRCAKUODQTP-QWHCGFSZSA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000351593438 135090411 /nfs/dbraw/zinc/09/04/11/135090411.db2.gz NUIIRCAKUODQTP-STQMWFEESA-N 1 3 242.363 0.456 20 0 BCADHO COC[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000351593438 135090412 /nfs/dbraw/zinc/09/04/12/135090412.db2.gz NUIIRCAKUODQTP-STQMWFEESA-N 1 3 242.363 0.456 20 0 BCADHO CC[N@@H+]1CC[C@H](NC[C@@H](O)COC)[C@H](C)C1 ZINC000252712369 135100282 /nfs/dbraw/zinc/10/02/82/135100282.db2.gz MFRHOGXEXLBVKN-UTUOFQBUSA-N 1 3 230.352 0.314 20 0 BCADHO CC[N@H+]1CC[C@H](NC[C@@H](O)COC)[C@H](C)C1 ZINC000252712369 135100283 /nfs/dbraw/zinc/10/02/83/135100283.db2.gz MFRHOGXEXLBVKN-UTUOFQBUSA-N 1 3 230.352 0.314 20 0 BCADHO C[C@@H]1CN(CCC(=O)N(C)C)CC[C@@H]1[NH3+] ZINC000086887007 135100628 /nfs/dbraw/zinc/10/06/28/135100628.db2.gz GEKSOVGSMWNEFB-ZJUUUORDSA-N 1 3 213.325 0.134 20 0 BCADHO C[NH2+]CCC(=O)N1CCCN(C2CC2)CC1 ZINC000257763873 135141802 /nfs/dbraw/zinc/14/18/02/135141802.db2.gz AVKCNLKEDKRZOJ-UHFFFAOYSA-N 1 3 225.336 0.293 20 0 BCADHO COC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000261137002 135149227 /nfs/dbraw/zinc/14/92/27/135149227.db2.gz MUSKSKARQUYYDX-SNVBAGLBSA-N 1 3 214.309 0.433 20 0 BCADHO COC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000261137002 135149229 /nfs/dbraw/zinc/14/92/29/135149229.db2.gz MUSKSKARQUYYDX-SNVBAGLBSA-N 1 3 214.309 0.433 20 0 BCADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H](C)N ZINC000261533872 135165961 /nfs/dbraw/zinc/16/59/61/135165961.db2.gz LNOAMCKVHPOMPK-WCBMZHEXSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[C@](C)(C[NH3+])NCCn1cncn1 ZINC000261535872 135170662 /nfs/dbraw/zinc/17/06/62/135170662.db2.gz PMZIMOXEEDTXHE-JTQLQIEISA-N 1 3 211.313 0.241 20 0 BCADHO CC[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000261536770 135172133 /nfs/dbraw/zinc/17/21/33/135172133.db2.gz SWAQBDIGVOVWFR-WCBMZHEXSA-N 1 3 201.314 0.213 20 0 BCADHO C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000261539260 135177686 /nfs/dbraw/zinc/17/76/86/135177686.db2.gz BYKUPXSJIBEBPF-WCBMZHEXSA-N 1 3 213.325 0.357 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261544807 135186192 /nfs/dbraw/zinc/18/61/92/135186192.db2.gz JCUPIYJYTFLKEQ-KOLCDFICSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@H]1COCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261545078 135186758 /nfs/dbraw/zinc/18/67/58/135186758.db2.gz JOKKITZUDDUNRA-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CCC[C@@](C)(N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000261551394 135190865 /nfs/dbraw/zinc/19/08/65/135190865.db2.gz QMNYBJBKKUZDQF-GXSJLCMTSA-N 1 3 213.325 0.372 20 0 BCADHO CC1(C)C[NH2+]CC[C@H]1NCCn1cccn1 ZINC000261561851 135203625 /nfs/dbraw/zinc/20/36/25/135203625.db2.gz AXXAZEKYKURXHU-LLVKDONJSA-N 1 3 222.336 0.861 20 0 BCADHO CC1(C)CNCC[C@H]1[NH2+]CCn1cccn1 ZINC000261561851 135203626 /nfs/dbraw/zinc/20/36/26/135203626.db2.gz AXXAZEKYKURXHU-LLVKDONJSA-N 1 3 222.336 0.861 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCCN1 ZINC000261562325 135203756 /nfs/dbraw/zinc/20/37/56/135203756.db2.gz BFNXYOQBTDZJRA-LPEHRKFASA-N 1 3 211.309 0.077 20 0 BCADHO COC(=O)C[C@H]1CCC[N@@H+]1CC(C)(C)N ZINC000261562527 135204505 /nfs/dbraw/zinc/20/45/05/135204505.db2.gz BIYLBOHSAJPACF-SECBINFHSA-N 1 3 214.309 0.751 20 0 BCADHO COC(=O)C[C@H]1CCC[N@H+]1CC(C)(C)N ZINC000261562527 135204507 /nfs/dbraw/zinc/20/45/07/135204507.db2.gz BIYLBOHSAJPACF-SECBINFHSA-N 1 3 214.309 0.751 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@H](N)CC1CCCCC1 ZINC000261567470 135209639 /nfs/dbraw/zinc/20/96/39/135209639.db2.gz ZUQNCKHROJAEQN-GFCCVEGCSA-N 1 3 241.379 0.962 20 0 BCADHO O[C@@H](CN[C@@H]1CCCSC1)C[NH+]1CCCC1 ZINC000163972297 135209940 /nfs/dbraw/zinc/20/99/40/135209940.db2.gz CMUBTVBVNLEORX-NEPJUHHUSA-N 1 3 244.404 0.928 20 0 BCADHO [NH3+]CC1CCN(CCOCC(F)F)CC1 ZINC000261597971 135236802 /nfs/dbraw/zinc/23/68/02/135236802.db2.gz ZGUMZNCXCIJYKD-UHFFFAOYSA-N 1 3 222.279 0.939 20 0 BCADHO C[NH2+]CCCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261547764 135241205 /nfs/dbraw/zinc/24/12/05/135241205.db2.gz MSJKLBRGOSXPHI-UWVGGRQHSA-N 1 3 213.325 0.195 20 0 BCADHO CCCN(C)CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261649997 135242749 /nfs/dbraw/zinc/24/27/49/135242749.db2.gz FJROVMJVEZYKEZ-QWRGUYRKSA-N 1 3 227.352 0.524 20 0 BCADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000261674107 135244922 /nfs/dbraw/zinc/24/49/22/135244922.db2.gz JHTUYAPGDSKJPT-YUSALJHKSA-N 1 3 237.347 0.337 20 0 BCADHO C[NH2+][C@H]1CCCN(C(=O)C2CCN(C)CC2)C1 ZINC000261687258 135245813 /nfs/dbraw/zinc/24/58/13/135245813.db2.gz IAVGMJNRZIMGTR-LBPRGKRZSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)[C@H](C)CN(C)C[C@]1(C)CC[NH2+]C1 ZINC000261695211 135246859 /nfs/dbraw/zinc/24/68/59/135246859.db2.gz BSOYQCOTAYUEIJ-ZYHUDNBSSA-N 1 3 227.352 0.300 20 0 BCADHO c1cc(NCCNC2=[NH+]CCCN2)ccn1 ZINC000261701325 135246875 /nfs/dbraw/zinc/24/68/75/135246875.db2.gz CMDLKQJWKJPMQU-UHFFFAOYSA-N 1 3 219.292 0.432 20 0 BCADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261849808 135256859 /nfs/dbraw/zinc/25/68/59/135256859.db2.gz QHERNBPLKYSCDZ-NEPJUHHUSA-N 1 3 241.379 0.914 20 0 BCADHO [NH3+]CCN1CCNC[C@@H]1c1cccc(F)c1 ZINC000261863004 135257826 /nfs/dbraw/zinc/25/78/26/135257826.db2.gz WPDUGAJHPBIIDL-GFCCVEGCSA-N 1 3 223.295 0.731 20 0 BCADHO CN(C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261913760 135262496 /nfs/dbraw/zinc/26/24/96/135262496.db2.gz XWFRMSGJJHHTBB-VHSXEESVSA-N 1 3 213.325 0.182 20 0 BCADHO N[C@H](CC(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000261996362 135270733 /nfs/dbraw/zinc/27/07/33/135270733.db2.gz ZFMAJPBWQAJXGK-CHWSQXEVSA-N 1 3 247.342 0.930 20 0 BCADHO C[C@@H]1C[N@H+](C[C@H]2CCCNC2)C[C@H]1CO ZINC000262022173 135273680 /nfs/dbraw/zinc/27/36/80/135273680.db2.gz WHOCTODCQMKYLJ-WOPDTQHZSA-N 1 3 212.337 0.546 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@H]2CCCNC2)C[C@H]1CO ZINC000262022173 135273682 /nfs/dbraw/zinc/27/36/82/135273682.db2.gz WHOCTODCQMKYLJ-WOPDTQHZSA-N 1 3 212.337 0.546 20 0 BCADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000262049249 135276264 /nfs/dbraw/zinc/27/62/64/135276264.db2.gz UVRWCPIYCBODNB-WDEREUQCSA-N 1 3 227.352 0.522 20 0 BCADHO C[C@]1(CN2CCC[C@H](CC(N)=O)C2)CC[NH2+]C1 ZINC000262075437 135278131 /nfs/dbraw/zinc/27/81/31/135278131.db2.gz SODZOHCUBWVQPD-YPMHNXCESA-N 1 3 239.363 0.573 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)[N@@H+]1CCC[C@H](C)C1 ZINC000262185884 135284387 /nfs/dbraw/zinc/28/43/87/135284387.db2.gz SVSRWUUKHTVIFT-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CNC(=O)C(C)(C)N)[N@H+]1CCC[C@H](C)C1 ZINC000262185884 135284389 /nfs/dbraw/zinc/28/43/89/135284389.db2.gz SVSRWUUKHTVIFT-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N(C)C ZINC000262187239 135284700 /nfs/dbraw/zinc/28/47/00/135284700.db2.gz ZKERIBJVXGVVPZ-YPMHNXCESA-N 1 3 241.379 0.770 20 0 BCADHO C[C@H]1C[C@H](N(C)C(=O)C2C[NH2+]C2)CCN1C ZINC000262265998 135288873 /nfs/dbraw/zinc/28/88/73/135288873.db2.gz SAZXZARKUQTRNP-GXSJLCMTSA-N 1 3 225.336 0.147 20 0 BCADHO CC(C)C[C@@H](N)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342576632 135291178 /nfs/dbraw/zinc/29/11/78/135291178.db2.gz AHFZPAREJCQFTK-DGCLKSJQSA-N 1 3 241.379 0.866 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000262307067 135292424 /nfs/dbraw/zinc/29/24/24/135292424.db2.gz CLBCUNWJDZJVNN-WOPDTQHZSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000262336166 135293738 /nfs/dbraw/zinc/29/37/38/135293738.db2.gz HGWJTYRQXKABDG-SDDRHHMPSA-N 1 3 241.379 0.960 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[NH2+]2)CCCCC1 ZINC000262404727 135295701 /nfs/dbraw/zinc/29/57/01/135295701.db2.gz AYZFWNKSBJZPAG-SNVBAGLBSA-N 1 3 225.336 0.516 20 0 BCADHO CCC[C@](C)(N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262374380 135297827 /nfs/dbraw/zinc/29/78/27/135297827.db2.gz MPISLLLOAYIXGO-ZPFDUUQYSA-N 1 3 239.363 0.700 20 0 BCADHO CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCCCN1 ZINC000262439574 135299877 /nfs/dbraw/zinc/29/98/77/135299877.db2.gz MUXVGXWPXZVMPJ-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000262450244 135300223 /nfs/dbraw/zinc/30/02/23/135300223.db2.gz VUWOFWMCVLHIBO-RYUDHWBXSA-N 1 3 241.379 0.818 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2C)CC[NH2+]1 ZINC000262453636 135300567 /nfs/dbraw/zinc/30/05/67/135300567.db2.gz UXSQQRRNTQTCGT-SDDRHHMPSA-N 1 3 239.363 0.585 20 0 BCADHO C[NH2+]CCC(=O)NCCN(C)Cc1ccccc1 ZINC000262476505 135301495 /nfs/dbraw/zinc/30/14/95/135301495.db2.gz YYBPGRFSGGZIAX-UHFFFAOYSA-N 1 3 249.358 0.844 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000262585312 135306989 /nfs/dbraw/zinc/30/69/89/135306989.db2.gz UNAUWSQHETZEQT-RYUDHWBXSA-N 1 3 241.379 0.641 20 0 BCADHO CCC[C@@H](C(=O)NCC1([NH3+])CCC1)N(C)C ZINC000342667396 135308399 /nfs/dbraw/zinc/30/83/99/135308399.db2.gz RULSNLRORCCMFZ-JTQLQIEISA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262641848 135310555 /nfs/dbraw/zinc/31/05/55/135310555.db2.gz QPNYHCACRWPKFQ-NEPJUHHUSA-N 1 3 239.363 0.680 20 0 BCADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342753322 135312203 /nfs/dbraw/zinc/31/22/03/135312203.db2.gz PQTOIRXSWJOPIO-CYBMUJFWSA-N 1 3 241.379 0.834 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342721115 135314452 /nfs/dbraw/zinc/31/44/52/135314452.db2.gz SPPSKXSWYLMGPP-IJLUTSLNSA-N 1 3 239.363 0.585 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)[C@H](C)CC ZINC000262608725 135315220 /nfs/dbraw/zinc/31/52/20/135315220.db2.gz UEKFXZUHCKHSNJ-MXWKQRLJSA-N 1 3 229.368 0.994 20 0 BCADHO C[C@@H]1NCCN(C(=O)C[NH2+]CC2CC2)[C@H]1C ZINC000262779805 135317895 /nfs/dbraw/zinc/31/78/95/135317895.db2.gz LGUZXGMRDYXBRR-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO CCN(CC)CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000262824252 135319979 /nfs/dbraw/zinc/31/99/79/135319979.db2.gz PVESDRCXECQJCX-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CC(C)N(C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262839035 135320728 /nfs/dbraw/zinc/32/07/28/135320728.db2.gz WWWLVILRQAWCGA-MNOVXSKESA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@H+](C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262839035 135320730 /nfs/dbraw/zinc/32/07/30/135320730.db2.gz WWWLVILRQAWCGA-MNOVXSKESA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)[N@@H+](C)CC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000262839035 135320732 /nfs/dbraw/zinc/32/07/32/135320732.db2.gz WWWLVILRQAWCGA-MNOVXSKESA-N 1 3 227.352 0.535 20 0 BCADHO CC(C)N(C)CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262842037 135320787 /nfs/dbraw/zinc/32/07/87/135320787.db2.gz JAWKHVDMRDSCLH-WDEREUQCSA-N 1 3 227.352 0.583 20 0 BCADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@]1(C)CCCCN1 ZINC000262919733 135323880 /nfs/dbraw/zinc/32/38/80/135323880.db2.gz ZGPLPSVBFHBPSL-MDZLAQPJSA-N 1 3 239.363 0.633 20 0 BCADHO CNCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000263227956 135340693 /nfs/dbraw/zinc/34/06/93/135340693.db2.gz BGCXGKDJLZAQJE-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000263227956 135340695 /nfs/dbraw/zinc/34/06/95/135340695.db2.gz BGCXGKDJLZAQJE-QWRGUYRKSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000263264656 135343731 /nfs/dbraw/zinc/34/37/31/135343731.db2.gz NDTTWRBMHJMKMR-SDDRHHMPSA-N 1 3 241.379 0.688 20 0 BCADHO C[C@@H](N)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000334324067 135352915 /nfs/dbraw/zinc/35/29/15/135352915.db2.gz KFZWAAYTEUDKQK-SSDOTTSWSA-N 1 3 237.278 0.757 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCN1CCCCC1 ZINC000085372771 135482636 /nfs/dbraw/zinc/48/26/36/135482636.db2.gz BPVMRGLBYSORDP-NWDGAFQWSA-N 1 3 239.363 0.716 20 0 BCADHO [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000335283179 136001277 /nfs/dbraw/zinc/00/12/77/136001277.db2.gz FSCJNUXITASEGO-VHSXEESVSA-N 1 3 249.289 0.757 20 0 BCADHO CC[C@H](C(=O)N[C@H](C)C[NH3+])N(CC)CC ZINC000347688462 136004887 /nfs/dbraw/zinc/00/48/87/136004887.db2.gz MTZNAXNRHFCZHX-NXEZZACHSA-N 1 3 215.341 0.570 20 0 BCADHO CC[C@@H](C(=O)N[C@@H](C)C[NH3+])N(CC)CC ZINC000347688473 136005205 /nfs/dbraw/zinc/00/52/05/136005205.db2.gz MTZNAXNRHFCZHX-UWVGGRQHSA-N 1 3 215.341 0.570 20 0 BCADHO NC1(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000335347053 136066953 /nfs/dbraw/zinc/06/69/53/136066953.db2.gz QYVCVBGXKPVPEM-UWVGGRQHSA-N 1 3 225.336 0.502 20 0 BCADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C1(N)CCC1 ZINC000335354216 136070272 /nfs/dbraw/zinc/07/02/72/136070272.db2.gz FHTQVOUFSFFPNB-JTQLQIEISA-N 1 3 239.363 0.762 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCCNCC1 ZINC000335368133 136082185 /nfs/dbraw/zinc/08/21/85/136082185.db2.gz SQVOYGUBFXWOBQ-VHSXEESVSA-N 1 3 228.340 0.117 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335378662 136086197 /nfs/dbraw/zinc/08/61/97/136086197.db2.gz FQWVUFULXBOOKU-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000335387814 136089562 /nfs/dbraw/zinc/08/95/62/136089562.db2.gz UKMCQWXKOCPQGW-CMPLNLGQSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CC[C@H]2CCN(C(=O)CCC[NH3+])[C@@H]2C1 ZINC000335390862 136090635 /nfs/dbraw/zinc/09/06/35/136090635.db2.gz YLYZKUJSPMIUSG-WDEREUQCSA-N 1 3 225.336 0.278 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CCC[NH3+])[C@H]2C1 ZINC000335390860 136090692 /nfs/dbraw/zinc/09/06/92/136090692.db2.gz YLYZKUJSPMIUSG-MNOVXSKESA-N 1 3 225.336 0.278 20 0 BCADHO N[C@@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CCC1 ZINC000335396194 136092499 /nfs/dbraw/zinc/09/24/99/136092499.db2.gz RVJBQBKJYOQFBF-DGCLKSJQSA-N 1 3 237.347 0.326 20 0 BCADHO O=C1NCC[C@@H]1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335397760 136092840 /nfs/dbraw/zinc/09/28/40/136092840.db2.gz YAIZTXVOFXRLQK-NEPJUHHUSA-N 1 3 237.347 0.196 20 0 BCADHO CN(C(=O)C1CCN(C)CC1)C1CC([NH3+])C1 ZINC000335364383 136095096 /nfs/dbraw/zinc/09/50/96/136095096.db2.gz ZPSHRMOVKYWPRF-UHFFFAOYSA-N 1 3 225.336 0.276 20 0 BCADHO C[C@H]1C[C@@H](C(=O)N2CCNC(C)(C)C2)CC[NH2+]1 ZINC000335596892 136105280 /nfs/dbraw/zinc/10/52/80/136105280.db2.gz DBDYNTZUFBGORE-QWRGUYRKSA-N 1 3 239.363 0.585 20 0 BCADHO C[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H](C)N1 ZINC000644087172 397754652 /nfs/dbraw/zinc/75/46/52/397754652.db2.gz HSQGSZIDNJAQPI-KXUCPTDWSA-N 1 3 225.336 0.193 20 0 BCADHO CC[C@H](CN[C@@H](C)CC(=O)NC)[NH+]1CCCC1 ZINC000359091764 397948843 /nfs/dbraw/zinc/94/88/43/397948843.db2.gz FOJKIUOYFCHOOL-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000449554862 397955283 /nfs/dbraw/zinc/95/52/83/397955283.db2.gz FESRBPPVIPNJQG-FOGDFJRCSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000449554861 397955327 /nfs/dbraw/zinc/95/53/27/397955327.db2.gz FESRBPPVIPNJQG-CKYFFXLPSA-N 1 3 239.363 0.713 20 0 BCADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382948118 397991009 /nfs/dbraw/zinc/99/10/09/397991009.db2.gz KVJLGYPCAOBRGN-QWRGUYRKSA-N 1 3 241.379 0.973 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000372508004 398005861 /nfs/dbraw/zinc/00/58/61/398005861.db2.gz UAAOXPXNZVIHNG-USZNOCQGSA-N 1 3 239.363 0.841 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953112 398009524 /nfs/dbraw/zinc/00/95/24/398009524.db2.gz BUIXWNYACCSGJX-MWLCHTKSSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@@H](C[NH3+])C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953142 398010075 /nfs/dbraw/zinc/01/00/75/398010075.db2.gz DJZJXIBPBUQKTM-ONGXEEELSA-N 1 3 225.336 0.182 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000383585841 398030051 /nfs/dbraw/zinc/03/00/51/398030051.db2.gz GNFDNYZAPOAHJK-QWHCGFSZSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1CCC[C@H](CO)C1 ZINC000383585841 398030053 /nfs/dbraw/zinc/03/00/53/398030053.db2.gz GNFDNYZAPOAHJK-QWHCGFSZSA-N 1 3 244.379 0.392 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NCc1ccn(C)c(=O)c1 ZINC000383753028 398036493 /nfs/dbraw/zinc/03/64/93/398036493.db2.gz ZYDFZWQDLBBZPY-CYBMUJFWSA-N 1 3 237.347 0.848 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564726873 398039425 /nfs/dbraw/zinc/03/94/25/398039425.db2.gz NEVMUPTWLCZFRT-QWRGUYRKSA-N 1 3 239.363 0.714 20 0 BCADHO CCO[C@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000566121465 398096205 /nfs/dbraw/zinc/09/62/05/398096205.db2.gz HGLWMVSAMCLJGO-RTXFEEFZSA-N 1 3 242.363 0.599 20 0 BCADHO CCO[C@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000566121465 398096209 /nfs/dbraw/zinc/09/62/09/398096209.db2.gz HGLWMVSAMCLJGO-RTXFEEFZSA-N 1 3 242.363 0.599 20 0 BCADHO CCN(CC[NH3+])C(=O)[C@@H](N)CCC(C)C ZINC000638512256 398111727 /nfs/dbraw/zinc/11/17/27/398111727.db2.gz HVTFWLQIAXNDPJ-JTQLQIEISA-N 1 3 215.341 0.557 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCOC1 ZINC000309202942 398114412 /nfs/dbraw/zinc/11/44/12/398114412.db2.gz BUMVYGQBNQLWKE-NWDGAFQWSA-N 1 3 230.352 0.267 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN(C)C[C@@H]1CCOC1 ZINC000309202942 398114413 /nfs/dbraw/zinc/11/44/13/398114413.db2.gz BUMVYGQBNQLWKE-NWDGAFQWSA-N 1 3 230.352 0.267 20 0 BCADHO CN1CCC(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000257663291 322872572 /nfs/dbraw/zinc/87/25/72/322872572.db2.gz DUJLNZCPVJONEO-UHFFFAOYSA-N 1 3 239.363 0.714 20 0 BCADHO CCN1CCC(N(C)C(=O)C[NH2+]C(C)C)CC1 ZINC000037609814 487560043 /nfs/dbraw/zinc/56/00/43/487560043.db2.gz UHRIPKPCBCIWEV-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H](CNC(=O)CC1([NH3+])CCC1)N(C)C ZINC000086853382 487566184 /nfs/dbraw/zinc/56/61/84/487566184.db2.gz YPOOAVYKOVHTIX-SECBINFHSA-N 1 3 213.325 0.324 20 0 BCADHO CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@H](C)[NH3+] ZINC000669389278 487584923 /nfs/dbraw/zinc/58/49/23/487584923.db2.gz QPHNMOPHSSNRPO-QWRGUYRKSA-N 1 3 244.383 0.609 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[NH+](C)C[C@@H](C)O ZINC000309000758 487605067 /nfs/dbraw/zinc/60/50/67/487605067.db2.gz LKIDAFNCZGROJT-MNOVXSKESA-N 1 3 218.341 0.000 20 0 BCADHO C[C@@H]1CCCN(C[C@@H]2CNCCO2)[C@@H]1C[NH3+] ZINC000662244078 409533580 /nfs/dbraw/zinc/53/35/80/409533580.db2.gz GKXOKXLLQCJRHM-GRYCIOLGSA-N 1 3 227.352 0.034 20 0 BCADHO C[C@H]1CSCCN1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254126 409552681 /nfs/dbraw/zinc/55/26/81/409552681.db2.gz FZUYUTFCOWSUFW-WDEREUQCSA-N 1 3 242.388 0.945 20 0 BCADHO COC[C@H](CN1CC[C@@](C)(C[NH3+])C1)OC ZINC000662273185 409580309 /nfs/dbraw/zinc/58/03/09/409580309.db2.gz MIMXXAMAFWSIRL-QWRGUYRKSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@H](C[N@@H+]1CC[C@@](C)(CN)C1)OC ZINC000662273185 409580318 /nfs/dbraw/zinc/58/03/18/409580318.db2.gz MIMXXAMAFWSIRL-QWRGUYRKSA-N 1 3 216.325 0.319 20 0 BCADHO COC[C@H](C[N@H+]1CC[C@@](C)(CN)C1)OC ZINC000662273185 409580324 /nfs/dbraw/zinc/58/03/24/409580324.db2.gz MIMXXAMAFWSIRL-QWRGUYRKSA-N 1 3 216.325 0.319 20 0 BCADHO CN1CCC[C@H](N2CCC(CC[NH3+])CC2)C1=O ZINC000662284810 409615071 /nfs/dbraw/zinc/61/50/71/409615071.db2.gz PODASUQHRXKEGH-LBPRGKRZSA-N 1 3 239.363 0.668 20 0 BCADHO CC(C)([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662424438 409709070 /nfs/dbraw/zinc/70/90/70/409709070.db2.gz SEEBZDHVLJCNJG-UHFFFAOYSA-N 1 3 225.336 0.502 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000662440338 409723051 /nfs/dbraw/zinc/72/30/51/409723051.db2.gz XQBXSHHDCNYMFW-NEPJUHHUSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000662515533 409743222 /nfs/dbraw/zinc/74/32/22/409743222.db2.gz VUFJITSQAUBIQQ-GARJFASQSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@H]([NH3+])CNC(=O)C[C@H]1NCc2ccccc21 ZINC000662558471 409758193 /nfs/dbraw/zinc/75/81/93/409758193.db2.gz FZDJQBIMSUPGLP-JOYOIKCWSA-N 1 3 233.315 0.684 20 0 BCADHO CN1CCC(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000662717236 409868678 /nfs/dbraw/zinc/86/86/78/409868678.db2.gz MLSWDZQYNAMATA-UHFFFAOYSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)C1CCN(C)CC1 ZINC000662730482 409874741 /nfs/dbraw/zinc/87/47/41/409874741.db2.gz GNIVGYONDPRNST-GFCCVEGCSA-N 1 3 241.379 0.818 20 0 BCADHO CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662746400 409880233 /nfs/dbraw/zinc/88/02/33/409880233.db2.gz KVRXIWYVYIPELX-KKZNHRDASA-N 1 3 231.315 0.402 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C1(NC2CC2)CCC1 ZINC000662757083 409882220 /nfs/dbraw/zinc/88/22/20/409882220.db2.gz LQOCYERBEYKGIN-VIFPVBQESA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H](O)C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000308588241 409886191 /nfs/dbraw/zinc/88/61/91/409886191.db2.gz JHFAJDWTFHBEPE-AXFHLTTASA-N 1 3 200.326 0.830 20 0 BCADHO C[C@H](O)CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000308588241 409886198 /nfs/dbraw/zinc/88/61/98/409886198.db2.gz JHFAJDWTFHBEPE-AXFHLTTASA-N 1 3 200.326 0.830 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1 ZINC000662770809 409893533 /nfs/dbraw/zinc/89/35/33/409893533.db2.gz REPAUQWGXKZYTG-GMTAPVOTSA-N 1 3 225.336 0.180 20 0 BCADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000662851895 409953444 /nfs/dbraw/zinc/95/34/44/409953444.db2.gz FERQTJIRJXQWOS-GMTAPVOTSA-N 1 3 239.363 0.713 20 0 BCADHO CN(CCN(C)C1CC1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662803065 409928653 /nfs/dbraw/zinc/92/86/53/409928653.db2.gz UXQMPRHUSJSFBJ-MGCOHNPYSA-N 1 3 225.336 0.276 20 0 BCADHO C[NH2+]CC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662839041 409946512 /nfs/dbraw/zinc/94/65/12/409946512.db2.gz OUTFAHLIQAWXCU-WDEREUQCSA-N 1 3 225.336 0.339 20 0 BCADHO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCCNCC1 ZINC000655411700 410216130 /nfs/dbraw/zinc/21/61/30/410216130.db2.gz HLFFFLDBIXGEKI-WCQYABFASA-N 1 3 237.347 0.198 20 0 BCADHO CC1(C)CN[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC000653221334 410171117 /nfs/dbraw/zinc/17/11/17/410171117.db2.gz RVCPVNSJPDJIDX-VIFPVBQESA-N 1 3 225.336 0.230 20 0 BCADHO C[C@@H]1CCN[C@@H](C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000653223000 410171479 /nfs/dbraw/zinc/17/14/79/410171479.db2.gz YZQHTBGCRRKYLP-GHMZBOCLSA-N 1 3 239.363 0.620 20 0 BCADHO C[C@@H]1CCCN(C(=O)CNC2CC2)[C@@H]1CC[NH3+] ZINC000653239809 410181715 /nfs/dbraw/zinc/18/17/15/410181715.db2.gz FQEFGTVOLYQRKT-ZYHUDNBSSA-N 1 3 239.363 0.714 20 0 BCADHO CC[C@H](N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653266830 410309206 /nfs/dbraw/zinc/30/92/06/410309206.db2.gz GDDYYJPSMGKTKO-JTQLQIEISA-N 1 3 213.325 0.230 20 0 BCADHO CC(C)(N)C(=O)NCCC1CC[NH2+]CC1 ZINC000653267756 410316888 /nfs/dbraw/zinc/31/68/88/410316888.db2.gz VWDFLXGQHDTDED-UHFFFAOYSA-N 1 3 213.325 0.230 20 0 BCADHO Cn1c(=O)ccc2c1CCC[C@@H]2NCCC[NH3+] ZINC000650725028 410359506 /nfs/dbraw/zinc/35/95/06/410359506.db2.gz RTHQRGMIFSVMPS-NSHDSACASA-N 1 3 235.331 0.701 20 0 BCADHO C[NH2+]Cc1ccccc1CN[C@@H](C)CC(N)=O ZINC000650760291 410407469 /nfs/dbraw/zinc/40/74/69/410407469.db2.gz ZZAPFFZZQSYNNO-JTQLQIEISA-N 1 3 235.331 0.760 20 0 BCADHO C[C@@H](N[C@@H](C)COCC1CC1)C1C[NH2+]C1 ZINC000650760843 410410558 /nfs/dbraw/zinc/41/05/58/410410558.db2.gz NINPSFSQWNTXBU-VHSXEESVSA-N 1 3 212.337 0.999 20 0 BCADHO C[C@@H]([NH2+][C@@H](C)COCC1CC1)C1CNC1 ZINC000650760843 410410564 /nfs/dbraw/zinc/41/05/64/410410564.db2.gz NINPSFSQWNTXBU-VHSXEESVSA-N 1 3 212.337 0.999 20 0 BCADHO C[NH2+]CC(=O)N(C)CCN1CCCCC1 ZINC000653274771 410554361 /nfs/dbraw/zinc/55/43/61/410554361.db2.gz OCESRSPMFHAAFN-UHFFFAOYSA-N 1 3 213.325 0.150 20 0 BCADHO CN(CCN1CCCCC1)C(=O)C(C)(C)C[NH3+] ZINC000653275084 410557873 /nfs/dbraw/zinc/55/78/73/410557873.db2.gz WANFAAWCAWUHKO-UHFFFAOYSA-N 1 3 241.379 0.916 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(N)CCCC1 ZINC000665248837 410731569 /nfs/dbraw/zinc/73/15/69/410731569.db2.gz DGASLIZPQNULPE-GHMZBOCLSA-N 1 3 211.353 0.798 20 0 BCADHO C[C@@H]1CN(C)C[C@H]1NCC1([NH3+])CCCC1 ZINC000665248837 410731572 /nfs/dbraw/zinc/73/15/72/410731572.db2.gz DGASLIZPQNULPE-GHMZBOCLSA-N 1 3 211.353 0.798 20 0 BCADHO CCCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2N)C1 ZINC000665273900 410742479 /nfs/dbraw/zinc/74/24/79/410742479.db2.gz GKBULXNFVUWTKJ-TUAOUCFPSA-N 1 3 211.353 0.940 20 0 BCADHO CC[C@@H]1CN(C(=O)C2(N)CC2)CC[C@@H]1[NH3+] ZINC000393734748 410757737 /nfs/dbraw/zinc/75/77/37/410757737.db2.gz ASOHOKQKTNGETF-BDAKNGLRSA-N 1 3 211.309 0.064 20 0 BCADHO c1ncn(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000394303694 410784410 /nfs/dbraw/zinc/78/44/10/410784410.db2.gz SYHZHBFXJBEZMA-CHWSQXEVSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000394303694 410784417 /nfs/dbraw/zinc/78/44/17/410784417.db2.gz SYHZHBFXJBEZMA-CHWSQXEVSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)n1 ZINC000394303694 410784425 /nfs/dbraw/zinc/78/44/25/410784425.db2.gz SYHZHBFXJBEZMA-CHWSQXEVSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000394303695 410785786 /nfs/dbraw/zinc/78/57/86/410785786.db2.gz SYHZHBFXJBEZMA-OLZOCXBDSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000394303695 410785792 /nfs/dbraw/zinc/78/57/92/410785792.db2.gz SYHZHBFXJBEZMA-OLZOCXBDSA-N 1 3 249.362 0.885 20 0 BCADHO c1ncn(CCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)n1 ZINC000394303695 410785799 /nfs/dbraw/zinc/78/57/99/410785799.db2.gz SYHZHBFXJBEZMA-OLZOCXBDSA-N 1 3 249.362 0.885 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000309307559 410789071 /nfs/dbraw/zinc/78/90/71/410789071.db2.gz WCHGBKCVGCABEV-RKDXNWHRSA-N 1 3 213.325 0.167 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000655488487 410798705 /nfs/dbraw/zinc/79/87/05/410798705.db2.gz BERWIJZTELXIGI-OUAUKWLOSA-N 1 3 241.379 0.816 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2(N)CCC2)C1 ZINC000655488818 410799930 /nfs/dbraw/zinc/79/99/30/410799930.db2.gz GNKANOSTIRRKMR-AOOOYVTPSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@@H](C(=O)NCCC[NH3+])N(C)C ZINC000236710946 167342296 /nfs/dbraw/zinc/34/22/96/167342296.db2.gz YUIKOUCFLKTVJI-VIFPVBQESA-N 1 3 201.314 0.038 20 0 BCADHO CC(C)[C@H]([NH3+])CNC(=O)C1(N)CCCC1 ZINC000309305466 410922201 /nfs/dbraw/zinc/92/22/01/410922201.db2.gz VLTUVZYUUYRCQC-SECBINFHSA-N 1 3 213.325 0.357 20 0 BCADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)N ZINC000390514144 411065731 /nfs/dbraw/zinc/06/57/31/411065731.db2.gz CNSSPEFCZZOCRQ-UWVGGRQHSA-N 1 3 213.325 0.324 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044538981 411137542 /nfs/dbraw/zinc/13/75/42/411137542.db2.gz WRYCAMYTUFDAMG-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044538981 411137543 /nfs/dbraw/zinc/13/75/43/411137543.db2.gz WRYCAMYTUFDAMG-AAEUAGOBSA-N 1 3 241.379 0.962 20 0 BCADHO COC(=O)[C@@H]1CN(CCC[NH3+])C[C@H]1C1CC1 ZINC000593320448 411139824 /nfs/dbraw/zinc/13/98/24/411139824.db2.gz JDRDGQRABHEVBG-WDEREUQCSA-N 1 3 226.320 0.466 20 0 BCADHO COC(=O)[C@@H]1C[N@H+](CCCN)C[C@H]1C1CC1 ZINC000593320448 411139825 /nfs/dbraw/zinc/13/98/25/411139825.db2.gz JDRDGQRABHEVBG-WDEREUQCSA-N 1 3 226.320 0.466 20 0 BCADHO COC(=O)[C@@H]1C[N@@H+](CCCN)C[C@H]1C1CC1 ZINC000593320448 411139826 /nfs/dbraw/zinc/13/98/26/411139826.db2.gz JDRDGQRABHEVBG-WDEREUQCSA-N 1 3 226.320 0.466 20 0 BCADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](COC)OC)C1 ZINC000659989628 411158190 /nfs/dbraw/zinc/15/81/90/411158190.db2.gz PWYUNFPPFUIAAB-QWHCGFSZSA-N 1 3 244.379 0.921 20 0 BCADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](COC)OC)C1 ZINC000659989628 411158191 /nfs/dbraw/zinc/15/81/91/411158191.db2.gz PWYUNFPPFUIAAB-QWHCGFSZSA-N 1 3 244.379 0.921 20 0 BCADHO CC1(C)CNCCN1C(=O)CCCC[NH3+] ZINC000309519823 411160002 /nfs/dbraw/zinc/16/00/02/411160002.db2.gz ZSJCVYDCTZBLON-UHFFFAOYSA-N 1 3 213.325 0.326 20 0 BCADHO CC(C)([NH3+])CCC(=O)N[C@H](CN)C(F)(F)F ZINC000655504374 411114541 /nfs/dbraw/zinc/11/45/41/411114541.db2.gz AZTWNCLMSFQGFU-ZCFIWIBFSA-N 1 3 241.257 0.510 20 0 BCADHO CN(CC(=O)N1CCCC1)CC1CC[NH2+]CC1 ZINC000043497640 411119531 /nfs/dbraw/zinc/11/95/31/411119531.db2.gz UVLMLCHXMBCOFL-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO CCNC(=O)CN(C)CC1CC[NH2+]CC1 ZINC000043497656 411119622 /nfs/dbraw/zinc/11/96/22/411119622.db2.gz FLJNZIOGADAPPO-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000309399767 411162714 /nfs/dbraw/zinc/16/27/14/411162714.db2.gz HEJFREQJIHBRDP-OPRDCNLKSA-N 1 3 213.325 0.165 20 0 BCADHO C[C@H]([NH3+])CC(=O)N1CCC[C@H]1CN(C)C ZINC000061645181 411174817 /nfs/dbraw/zinc/17/48/17/411174817.db2.gz UMFUALGFYCXYLX-UWVGGRQHSA-N 1 3 213.325 0.276 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000054133585 411243562 /nfs/dbraw/zinc/24/35/62/411243562.db2.gz ODZJZJJLTWAQLW-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)C1(N)CCCC1 ZINC000054133585 411243566 /nfs/dbraw/zinc/24/35/66/411243566.db2.gz ODZJZJJLTWAQLW-UHFFFAOYSA-N 1 3 227.352 0.714 20 0 BCADHO COCC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000656155200 411189718 /nfs/dbraw/zinc/18/97/18/411189718.db2.gz MAKYMWCHZIMJFL-LBPRGKRZSA-N 1 3 242.363 0.459 20 0 BCADHO CN(C(=O)C1(N)CC2(CCC2)C1)[C@H]1CC[NH2+]C1 ZINC000659296739 411244414 /nfs/dbraw/zinc/24/44/14/411244414.db2.gz OSDWHEZLVCZPSV-JTQLQIEISA-N 1 3 237.347 0.468 20 0 BCADHO CC(C)C[C@H]([NH3+])CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000656193872 411199612 /nfs/dbraw/zinc/19/96/12/411199612.db2.gz WMHVJIPJCXHERE-RWMBFGLXSA-N 1 3 241.379 0.111 20 0 BCADHO Cc1nc2n(n1)C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000656197486 411203473 /nfs/dbraw/zinc/20/34/73/411203473.db2.gz MJIPZXPYAOXRAZ-GRYCIOLGSA-N 1 3 249.362 0.761 20 0 BCADHO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000656200031 411204243 /nfs/dbraw/zinc/20/42/43/411204243.db2.gz DUEFXVLWASTMMU-AXTSPUMRSA-N 1 3 211.309 0.110 20 0 BCADHO NC(=O)[C@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000656200031 411204245 /nfs/dbraw/zinc/20/42/45/411204245.db2.gz DUEFXVLWASTMMU-AXTSPUMRSA-N 1 3 211.309 0.110 20 0 BCADHO COCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CC1 ZINC000656199715 411204397 /nfs/dbraw/zinc/20/43/97/411204397.db2.gz BIYHVEQQMHKSGQ-SDDRHHMPSA-N 1 3 242.363 0.755 20 0 BCADHO C[NH2+]C[C@@](C)(O)CN(C)CCC(C)C ZINC000652337197 411204929 /nfs/dbraw/zinc/20/49/29/411204929.db2.gz RUOBEBXAQZQOFI-LLVKDONJSA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@H+](C)CCC(C)C ZINC000652337197 411204934 /nfs/dbraw/zinc/20/49/34/411204934.db2.gz RUOBEBXAQZQOFI-LLVKDONJSA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+](C)CCC(C)C ZINC000652337197 411204936 /nfs/dbraw/zinc/20/49/36/411204936.db2.gz RUOBEBXAQZQOFI-LLVKDONJSA-N 1 3 202.342 0.935 20 0 BCADHO Cn1cnc(CCC[NH2+][C@H]2CCC[C@H](N)C2)n1 ZINC000656200448 411205294 /nfs/dbraw/zinc/20/52/94/411205294.db2.gz QDCQNKOPAUELLE-QWRGUYRKSA-N 1 3 237.351 0.607 20 0 BCADHO Cn1cnc(CCCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000656200448 411205297 /nfs/dbraw/zinc/20/52/97/411205297.db2.gz QDCQNKOPAUELLE-QWRGUYRKSA-N 1 3 237.351 0.607 20 0 BCADHO c1nncn1CC1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000652353119 411211714 /nfs/dbraw/zinc/21/17/14/411211714.db2.gz DFJMTRFDNIUFBW-ZDUSSCGKSA-N 1 3 249.362 0.600 20 0 BCADHO C[C@H]([NH2+][C@H]1CCNC1=O)C1CCN(C)CC1 ZINC000658052326 411219765 /nfs/dbraw/zinc/21/97/65/411219765.db2.gz BYALAOCOTZKZGD-ONGXEEELSA-N 1 3 225.336 0.195 20 0 BCADHO CC(C)N(C)CCN[C@H]1C[NH2+]CC[C@H]1C ZINC000422884533 411234010 /nfs/dbraw/zinc/23/40/10/411234010.db2.gz XFYCVSAMCSYKIH-NEPJUHHUSA-N 1 3 213.369 0.914 20 0 BCADHO CC(C)([NH3+])C(=O)N1CCNC2(CCCCC2)C1 ZINC000656363297 411234390 /nfs/dbraw/zinc/23/43/90/411234390.db2.gz OXEHFFYEKJFXOH-UHFFFAOYSA-N 1 3 239.363 0.858 20 0 BCADHO CN(C)C(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000310473178 411238636 /nfs/dbraw/zinc/23/86/36/411238636.db2.gz CALBULAGEYEKEL-AAEUAGOBSA-N 1 3 239.363 0.526 20 0 BCADHO CN(C)C(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000310473178 411238637 /nfs/dbraw/zinc/23/86/37/411238637.db2.gz CALBULAGEYEKEL-AAEUAGOBSA-N 1 3 239.363 0.526 20 0 BCADHO COC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1CN ZINC000394672046 411276870 /nfs/dbraw/zinc/27/68/70/411276870.db2.gz XWMIROLHVABTDA-GMTAPVOTSA-N 1 3 216.325 0.101 20 0 BCADHO c1c(CNC2CCCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656468738 411280842 /nfs/dbraw/zinc/28/08/42/411280842.db2.gz RLCBWVIGXOJWNR-LBPRGKRZSA-N 1 3 235.335 0.845 20 0 BCADHO C[C@H]1CC[C@H](CN(C)CCN2CC[NH2+]CC2)O1 ZINC000129383315 411280877 /nfs/dbraw/zinc/28/08/77/411280877.db2.gz YUQYMVZRTCEESC-QWHCGFSZSA-N 1 3 241.379 0.391 20 0 BCADHO C[C@H]1CNC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000401691750 411286404 /nfs/dbraw/zinc/28/64/04/411286404.db2.gz HEDYZDHJWIIXIJ-MNOVXSKESA-N 1 3 208.309 0.471 20 0 BCADHO O=C(C[C@@H]1NCc2ccccc21)NCC1C[NH2+]C1 ZINC000659304368 411297050 /nfs/dbraw/zinc/29/70/50/411297050.db2.gz BOGUWZHLXFCYEY-ZDUSSCGKSA-N 1 3 245.326 0.557 20 0 BCADHO CC[C@H](CCO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000217810694 411308003 /nfs/dbraw/zinc/30/80/03/411308003.db2.gz AIEJCEPNOCGRGW-VXGBXAGGSA-N 1 3 230.352 0.194 20 0 BCADHO CC[N@@H+]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259665 411318284 /nfs/dbraw/zinc/31/82/84/411318284.db2.gz NGGNMRYGWZBUBD-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CC[N@H+]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@H](C)C1 ZINC000658259665 411318286 /nfs/dbraw/zinc/31/82/86/411318286.db2.gz NGGNMRYGWZBUBD-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CN1CCC[C@@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558994 411324651 /nfs/dbraw/zinc/32/46/51/411324651.db2.gz BSKDXALCLPVHSQ-OLZOCXBDSA-N 1 3 241.379 0.127 20 0 BCADHO CN1CCC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000629558994 411324653 /nfs/dbraw/zinc/32/46/53/411324653.db2.gz BSKDXALCLPVHSQ-OLZOCXBDSA-N 1 3 241.379 0.127 20 0 BCADHO CC(C)N1CCC([NH2+]C/C=C/CO)CC1 ZINC000658132402 411256131 /nfs/dbraw/zinc/25/61/31/411256131.db2.gz LGLGEADGOCXJMB-ONEGZZNKSA-N 1 3 212.337 0.997 20 0 BCADHO CC[N@@H+]1CC[C@H](N[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000658349562 411351485 /nfs/dbraw/zinc/35/14/85/411351485.db2.gz KIDIEYJJHBGPEF-BJDJZHNGSA-N 1 3 212.337 0.830 20 0 BCADHO CC[N@H+]1CC[C@H](N[C@H]2C[C@H](O)C2)[C@@H](C)C1 ZINC000658349562 411351487 /nfs/dbraw/zinc/35/14/87/411351487.db2.gz KIDIEYJJHBGPEF-BJDJZHNGSA-N 1 3 212.337 0.830 20 0 BCADHO CC(C)[NH+]1CCC(N[C@H]2C[C@H](O)C2)CC1 ZINC000658352813 411355854 /nfs/dbraw/zinc/35/58/54/411355854.db2.gz YVBNIBOVLPDDAS-HAQNSBGRSA-N 1 3 212.337 0.972 20 0 BCADHO C[NH2+]CCC(=O)N(C)CC1CCN(C)CC1 ZINC000063123877 411342628 /nfs/dbraw/zinc/34/26/28/411342628.db2.gz QLCAEKPZEYAFSJ-UHFFFAOYSA-N 1 3 227.352 0.396 20 0 BCADHO C[C@H](N)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000040832994 168178817 /nfs/dbraw/zinc/17/88/17/168178817.db2.gz YCQYGVGBAUKAQM-NSHDSACASA-N 1 3 227.352 0.572 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659294070 411389445 /nfs/dbraw/zinc/38/94/45/411389445.db2.gz KWEVLSMIUSJVQK-MNOVXSKESA-N 1 3 225.336 0.337 20 0 BCADHO CN1CCC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000662235822 411384404 /nfs/dbraw/zinc/38/44/04/411384404.db2.gz TWKHZPWSCJCFNP-LLVKDONJSA-N 1 3 225.336 0.278 20 0 BCADHO CC(C)NCC(=O)NC(C)(C)CCC[NH3+] ZINC000659314599 411393113 /nfs/dbraw/zinc/39/31/13/411393113.db2.gz YZBUOAAUVHLVKL-UHFFFAOYSA-N 1 3 215.341 0.618 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000580763864 411395626 /nfs/dbraw/zinc/39/56/26/411395626.db2.gz WIXQOWIPYREPML-WISYIIOYSA-N 1 3 239.363 0.489 20 0 BCADHO O=C([C@@H]1CCC[NH2+]CC1)N1CCCNCC1 ZINC000653043976 411401818 /nfs/dbraw/zinc/40/18/18/411401818.db2.gz MCSWSBZTQNZEIU-LLVKDONJSA-N 1 3 225.336 0.198 20 0 BCADHO CCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000657071337 411402631 /nfs/dbraw/zinc/40/26/31/411402631.db2.gz KJYYIYBFHHIIQK-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO CCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000657071337 411402632 /nfs/dbraw/zinc/40/26/32/411402632.db2.gz KJYYIYBFHHIIQK-NSHDSACASA-N 1 3 229.368 0.785 20 0 BCADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH+](C)C ZINC000654480196 411403492 /nfs/dbraw/zinc/40/34/92/411403492.db2.gz RTAJQCKFFCHFBT-WDEREUQCSA-N 1 3 227.352 0.395 20 0 BCADHO C[C@@H]([NH3+])C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659371591 411405427 /nfs/dbraw/zinc/40/54/27/411405427.db2.gz XFSFKEYVSHSFPC-BXKDBHETSA-N 1 3 249.314 0.633 20 0 BCADHO CC(C)[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)[C@H](C)[NH3+] ZINC000659388572 411410555 /nfs/dbraw/zinc/41/05/55/411410555.db2.gz KJACGGOAGYZTGP-ZDCRXTMVSA-N 1 3 245.342 0.504 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCCN(C)C1 ZINC000659439995 411414725 /nfs/dbraw/zinc/41/47/25/411414725.db2.gz DMLSEILHBPTEND-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000659450663 411415786 /nfs/dbraw/zinc/41/57/86/411415786.db2.gz DJXMSHPRQFLMLI-VHSXEESVSA-N 1 3 242.367 0.376 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)NCCN(C)C1CC1 ZINC000659455330 411416427 /nfs/dbraw/zinc/41/64/27/411416427.db2.gz WOXNPRLCZHFYMO-UHFFFAOYSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H](CN(C)C)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659492629 411420711 /nfs/dbraw/zinc/42/07/11/411420711.db2.gz IQLXNQVQNKBCSG-BMQDGWLCSA-N 1 3 240.351 0.069 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)CN(C)C ZINC000659492278 411421002 /nfs/dbraw/zinc/42/10/02/411421002.db2.gz BHYOPMOEUBSFAL-WDEREUQCSA-N 1 3 244.383 0.609 20 0 BCADHO CCO[C@@H]1CN(CCCOC)C[C@H]1C[NH3+] ZINC000405396969 411427250 /nfs/dbraw/zinc/42/72/50/411427250.db2.gz ULHKPIJGBXQFMJ-GHMZBOCLSA-N 1 3 216.325 0.319 20 0 BCADHO CCCN1CC[C@@H](NC(=O)NC[C@@H](C)[NH3+])C1 ZINC000659541085 411432199 /nfs/dbraw/zinc/43/21/99/411432199.db2.gz ZOJLCXDMIQTUSB-NXEZZACHSA-N 1 3 228.340 0.117 20 0 BCADHO CCO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1CN ZINC000405516777 411432978 /nfs/dbraw/zinc/43/29/78/411432978.db2.gz HOJRMLRUWPSDCR-CHWSQXEVSA-N 1 3 242.363 0.709 20 0 BCADHO CCO[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1CN ZINC000405516777 411432981 /nfs/dbraw/zinc/43/29/81/411432981.db2.gz HOJRMLRUWPSDCR-CHWSQXEVSA-N 1 3 242.363 0.709 20 0 BCADHO CCCN1CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])C1 ZINC000659551549 411434614 /nfs/dbraw/zinc/43/46/14/411434614.db2.gz VFRPCCOGCWUXQE-AXFHLTTASA-N 1 3 242.367 0.506 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CNC1(C2CC2)CC1 ZINC000653614205 411440403 /nfs/dbraw/zinc/44/04/03/411440403.db2.gz SJHATKBRTRIGRU-NSHDSACASA-N 1 3 212.337 0.831 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CNC1(C2CC2)CC1 ZINC000653614205 411440406 /nfs/dbraw/zinc/44/04/06/411440406.db2.gz SJHATKBRTRIGRU-NSHDSACASA-N 1 3 212.337 0.831 20 0 BCADHO CCCN1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000659611147 411441209 /nfs/dbraw/zinc/44/12/09/411441209.db2.gz PTOWBAKJDYTUGX-GHMZBOCLSA-N 1 3 240.351 0.213 20 0 BCADHO O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCCNCC1 ZINC000407252772 411475468 /nfs/dbraw/zinc/47/54/68/411475468.db2.gz HVHDLLNKLHAJBS-NEPJUHHUSA-N 1 3 237.347 0.339 20 0 BCADHO CO[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCOC1 ZINC000659850353 411476124 /nfs/dbraw/zinc/47/61/24/411476124.db2.gz OKENFGSBLFIZHO-ZDEQEGDKSA-N 1 3 240.347 0.189 20 0 BCADHO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CNC2 ZINC000334196211 411506890 /nfs/dbraw/zinc/50/68/90/411506890.db2.gz YVHZTDHRRHUIAR-CYBMUJFWSA-N 1 3 245.326 0.772 20 0 BCADHO CO[C@@](C)(CO)CNC1CC[NH+](C2CC2)CC1 ZINC000655795550 411515758 /nfs/dbraw/zinc/51/57/58/411515758.db2.gz CQDAFBZZVLARKP-CYBMUJFWSA-N 1 3 242.363 0.600 20 0 BCADHO Cn1cc(CNC[C@H]2C[C@@H]([NH+](C)C)C2)nn1 ZINC000655826972 411529715 /nfs/dbraw/zinc/52/97/15/411529715.db2.gz KJFNKJJTTQUBSR-JGZJWPJOSA-N 1 3 223.324 0.245 20 0 BCADHO Cn1ccnc1CNC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826994 411529728 /nfs/dbraw/zinc/52/97/28/411529728.db2.gz LKCHIULRSKQYIS-PHIMTYICSA-N 1 3 222.336 0.850 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310390156 170007362 /nfs/dbraw/zinc/00/73/62/170007362.db2.gz RKFWHDXNGZKLHX-IUCAKERBSA-N 1 3 249.305 0.427 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000310390156 170007364 /nfs/dbraw/zinc/00/73/64/170007364.db2.gz RKFWHDXNGZKLHX-IUCAKERBSA-N 1 3 249.305 0.427 20 0 BCADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C(C)C)C1 ZINC000040464016 170008015 /nfs/dbraw/zinc/00/80/15/170008015.db2.gz AWHNLYIRYMEVNU-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](N)C(C)C)C1 ZINC000040464016 170008016 /nfs/dbraw/zinc/00/80/16/170008016.db2.gz AWHNLYIRYMEVNU-QWRGUYRKSA-N 1 3 227.352 0.428 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H](C)COC)C1 ZINC000053195365 170008508 /nfs/dbraw/zinc/00/85/08/170008508.db2.gz UAJSUKJGWPIBRH-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)COC)C1 ZINC000053195365 170008510 /nfs/dbraw/zinc/00/85/10/170008510.db2.gz UAJSUKJGWPIBRH-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)COC)C1 ZINC000053195365 170008513 /nfs/dbraw/zinc/00/85/13/170008513.db2.gz UAJSUKJGWPIBRH-QWRGUYRKSA-N 1 3 200.326 0.953 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000336751316 170016082 /nfs/dbraw/zinc/01/60/82/170016082.db2.gz CIPUVJCXQGAHQB-UPJWGTAASA-N 1 3 225.380 0.868 20 0 BCADHO CCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)NC)C1 ZINC000309987103 170016614 /nfs/dbraw/zinc/01/66/14/170016614.db2.gz YUDCNVBFXCZKNR-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000309987103 170016615 /nfs/dbraw/zinc/01/66/15/170016615.db2.gz YUDCNVBFXCZKNR-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)NC)C1 ZINC000309987103 170016616 /nfs/dbraw/zinc/01/66/16/170016616.db2.gz YUDCNVBFXCZKNR-WDEREUQCSA-N 1 3 227.352 0.442 20 0 BCADHO CCN1C[C@@H](C)[C@H]([NH2+]CCCN(C)C)C1 ZINC000336768134 170031862 /nfs/dbraw/zinc/03/18/62/170031862.db2.gz TTXPKPMZUVGPAO-VXGBXAGGSA-N 1 3 213.369 0.868 20 0 BCADHO CCN1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000332600927 170040539 /nfs/dbraw/zinc/04/05/39/170040539.db2.gz AULWXNAVCLXBSW-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000069626502 170059924 /nfs/dbraw/zinc/05/99/24/170059924.db2.gz JBMGCTVVPUFMRZ-JTQLQIEISA-N 1 3 213.325 0.183 20 0 BCADHO CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000036794709 170094705 /nfs/dbraw/zinc/09/47/05/170094705.db2.gz CCLQJJDPJVVZJE-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO CC[NH2+][C@@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000358918910 170140271 /nfs/dbraw/zinc/14/02/71/170140271.db2.gz XDJGSZDCKNYHBO-WCQYABFASA-N 1 3 249.358 0.671 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000358914777 170157673 /nfs/dbraw/zinc/15/76/73/170157673.db2.gz MLHVHIQTTOFUOU-GHMZBOCLSA-N 1 3 229.368 0.687 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000358917511 170158073 /nfs/dbraw/zinc/15/80/73/170158073.db2.gz VDGQEIYXBQCRSB-UTUOFQBUSA-N 1 3 241.379 0.973 20 0 BCADHO CCOCCCN1CC[C@@H](C[NH2+]C)C1 ZINC000011892056 170375369 /nfs/dbraw/zinc/37/53/69/170375369.db2.gz CWDFEWQFMASIDS-NSHDSACASA-N 1 3 200.326 0.954 20 0 BCADHO CCN1CCN(CCNc2cc[nH+]c(C)c2)CC1 ZINC000663397535 411647251 /nfs/dbraw/zinc/64/72/51/411647251.db2.gz NHHSZRAFPBMLIZ-UHFFFAOYSA-N 1 3 248.374 0.861 20 0 BCADHO N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000131668889 411591343 /nfs/dbraw/zinc/59/13/43/411591343.db2.gz NIKCJPQFAQLWLJ-NEPJUHHUSA-N 1 3 233.315 0.035 20 0 BCADHO C[C@H](Cn1cncn1)NCC(C)(C)C[NH+](C)C ZINC000657814975 411604001 /nfs/dbraw/zinc/60/40/01/411604001.db2.gz FQVOHXVMOXJSPR-LLVKDONJSA-N 1 3 239.367 0.844 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657840713 411609728 /nfs/dbraw/zinc/60/97/28/411609728.db2.gz VLRAAQKQJHREQH-AGIUHOORSA-N 1 3 249.362 0.883 20 0 BCADHO C[C@H](Cn1cncn1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657840713 411609731 /nfs/dbraw/zinc/60/97/31/411609731.db2.gz VLRAAQKQJHREQH-AGIUHOORSA-N 1 3 249.362 0.883 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657840715 411609896 /nfs/dbraw/zinc/60/98/96/411609896.db2.gz VLRAAQKQJHREQH-JHJVBQTASA-N 1 3 249.362 0.883 20 0 BCADHO C[C@H](Cn1cncn1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657840715 411609898 /nfs/dbraw/zinc/60/98/98/411609898.db2.gz VLRAAQKQJHREQH-JHJVBQTASA-N 1 3 249.362 0.883 20 0 BCADHO CC(C)(C)[NH2+]CCN1CCOC2(CNC2)C1 ZINC000663510653 411692999 /nfs/dbraw/zinc/69/29/99/411692999.db2.gz QRMXGGHUIDQGGM-UHFFFAOYSA-N 1 3 227.352 0.049 20 0 BCADHO C[C@@H]1C[C@H](CN2CCOC3(CNC3)C2)CC[NH2+]1 ZINC000663512206 411695851 /nfs/dbraw/zinc/69/58/51/411695851.db2.gz ZIXSLUQNCIPQTA-VXGBXAGGSA-N 1 3 239.363 0.049 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722981 411857789 /nfs/dbraw/zinc/85/77/89/411857789.db2.gz QDJGVKSPNTXBHR-YNEHKIRRSA-N 1 3 224.348 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722981 411857791 /nfs/dbraw/zinc/85/77/91/411857791.db2.gz QDJGVKSPNTXBHR-YNEHKIRRSA-N 1 3 224.348 0.927 20 0 BCADHO CC[C@@H](N)C(=O)N1CCC([NH+](C)C)CC1 ZINC000036871872 170861549 /nfs/dbraw/zinc/86/15/49/170861549.db2.gz KLGUGGSCDWLMQO-SNVBAGLBSA-N 1 3 213.325 0.276 20 0 BCADHO CCN(CCNC(=O)C[NH2+]C(C)C)C1CC1 ZINC000219925075 411983457 /nfs/dbraw/zinc/98/34/57/411983457.db2.gz DZXPKJXUBLQYNR-UHFFFAOYSA-N 1 3 227.352 0.585 20 0 BCADHO OCCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000662157026 412011287 /nfs/dbraw/zinc/01/12/87/412011287.db2.gz NWVFVAVOGMHNPZ-CYBMUJFWSA-N 1 3 242.363 0.290 20 0 BCADHO Nc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000647546825 411957949 /nfs/dbraw/zinc/95/79/49/411957949.db2.gz CXSDAZBYTJZARQ-QWRGUYRKSA-N 1 3 220.320 1.023 20 0 BCADHO C([C@H]1CNCCO1)N(C1CC1)C1CC[NH2+]CC1 ZINC000662234777 412035731 /nfs/dbraw/zinc/03/57/31/412035731.db2.gz MUZRURZLUJAVSU-CYBMUJFWSA-N 1 3 239.363 0.191 20 0 BCADHO C[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)C[C@H](C)[NH2+]1 ZINC000662242966 412037680 /nfs/dbraw/zinc/03/76/80/412037680.db2.gz FYSLNPKZPZQMHE-GRYCIOLGSA-N 1 3 239.363 0.190 20 0 BCADHO COC[C@H](CN1CCC[C@H]([C@H](C)[NH3+])C1)OC ZINC000662245077 412041275 /nfs/dbraw/zinc/04/12/75/412041275.db2.gz MYPDJRRCWGGQLT-SRVKXCTJSA-N 1 3 230.352 0.707 20 0 BCADHO C[NH2+]C1CCN(C[C@H]2CCC3(CNC3)O2)CC1 ZINC000662247081 412044543 /nfs/dbraw/zinc/04/45/43/412044543.db2.gz YQPAXXHAWLXYAX-GFCCVEGCSA-N 1 3 239.363 0.191 20 0 BCADHO CCCC[N@H+](CCO)C[C@@H]1CCC2(CNC2)O1 ZINC000662249933 412047215 /nfs/dbraw/zinc/04/72/15/412047215.db2.gz VNEOHXBERNPMSO-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO CCCC[N@@H+](CCO)C[C@@H]1CCC2(CNC2)O1 ZINC000662249933 412047221 /nfs/dbraw/zinc/04/72/21/412047221.db2.gz VNEOHXBERNPMSO-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO CC[N@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251051 412048988 /nfs/dbraw/zinc/04/89/88/412048988.db2.gz WXBDFRPZQYBNES-LLVKDONJSA-N 1 3 210.321 0.992 20 0 BCADHO CC[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CC1 ZINC000662251051 412048990 /nfs/dbraw/zinc/04/89/90/412048990.db2.gz WXBDFRPZQYBNES-LLVKDONJSA-N 1 3 210.321 0.992 20 0 BCADHO C[C@@H]1CC[N@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254624 412049245 /nfs/dbraw/zinc/04/92/45/412049245.db2.gz QVVOCDWDHYXCID-GHMZBOCLSA-N 1 3 210.321 0.849 20 0 BCADHO C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CNC3)O2)C1 ZINC000662254624 412049248 /nfs/dbraw/zinc/04/92/48/412049248.db2.gz QVVOCDWDHYXCID-GHMZBOCLSA-N 1 3 210.321 0.849 20 0 BCADHO C[C@@H](O)CC[N@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254352 412049275 /nfs/dbraw/zinc/04/92/75/412049275.db2.gz HOCGWMVMCKKYEP-GHMZBOCLSA-N 1 3 228.336 0.210 20 0 BCADHO C[C@@H](O)CC[N@@H+](C)C[C@H]1CCC2(CNC2)O1 ZINC000662254352 412049278 /nfs/dbraw/zinc/04/92/78/412049278.db2.gz HOCGWMVMCKKYEP-GHMZBOCLSA-N 1 3 228.336 0.210 20 0 BCADHO C[N@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662251900 412049817 /nfs/dbraw/zinc/04/98/17/412049817.db2.gz GMYSHVYSBBGNHE-LLVKDONJSA-N 1 3 210.321 0.849 20 0 BCADHO C[N@@H+](CC1CC1)C[C@H]1CCC2(CNC2)O1 ZINC000662251900 412049819 /nfs/dbraw/zinc/04/98/19/412049819.db2.gz GMYSHVYSBBGNHE-LLVKDONJSA-N 1 3 210.321 0.849 20 0 BCADHO C[C@@H]1CN(C[C@@H]2CCC3(C[NH2+]C3)O2)CCS1 ZINC000662257004 412050723 /nfs/dbraw/zinc/05/07/23/412050723.db2.gz LIWAQYUNHKWAJY-MNOVXSKESA-N 1 3 242.388 0.945 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]2CN(C[C@@H]3CNCCO3)C[C@H]21 ZINC000662267519 412060197 /nfs/dbraw/zinc/06/01/97/412060197.db2.gz WFLOHYKUNCFMIR-YVECIDJPSA-N 1 3 239.363 0.034 20 0 BCADHO C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662255089 412051635 /nfs/dbraw/zinc/05/16/35/412051635.db2.gz OGBBCQBRIRIMII-WDEREUQCSA-N 1 3 210.321 0.992 20 0 BCADHO C[C@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662255089 412051636 /nfs/dbraw/zinc/05/16/36/412051636.db2.gz OGBBCQBRIRIMII-WDEREUQCSA-N 1 3 210.321 0.992 20 0 BCADHO COC[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662259004 412054738 /nfs/dbraw/zinc/05/47/38/412054738.db2.gz NYEPJBJXRJYCOA-NWDGAFQWSA-N 1 3 240.347 0.618 20 0 BCADHO COC[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662259004 412054741 /nfs/dbraw/zinc/05/47/41/412054741.db2.gz NYEPJBJXRJYCOA-NWDGAFQWSA-N 1 3 240.347 0.618 20 0 BCADHO CC(C)[NH2+]C1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662262030 412054797 /nfs/dbraw/zinc/05/47/97/412054797.db2.gz CWBJHWVOLGGKDY-ZDUSSCGKSA-N 1 3 241.379 0.437 20 0 BCADHO CC[C@H](CC(F)F)CN(C)C[C@H](O)C[NH3+] ZINC000662278652 412071740 /nfs/dbraw/zinc/07/17/40/412071740.db2.gz ZYUKLVUNZWOBAI-RKDXNWHRSA-N 1 3 224.295 0.919 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)N(C)C ZINC000353452799 171148869 /nfs/dbraw/zinc/14/88/69/171148869.db2.gz QZWHRXUPYZBDFL-MXWKQRLJSA-N 1 3 227.352 0.441 20 0 BCADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)N(C)C ZINC000353452796 171149754 /nfs/dbraw/zinc/14/97/54/171149754.db2.gz QZWHRXUPYZBDFL-AXFHLTTASA-N 1 3 227.352 0.441 20 0 BCADHO C[N@H+](CCCC1CCC1)C[C@H](O)CN ZINC000662277778 412069222 /nfs/dbraw/zinc/06/92/22/412069222.db2.gz RWCUONHFQRXSHX-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO C[N@@H+](CCCC1CCC1)C[C@H](O)CN ZINC000662277778 412069225 /nfs/dbraw/zinc/06/92/25/412069225.db2.gz RWCUONHFQRXSHX-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO CN(CCCC1CCC1)C[C@H](O)C[NH3+] ZINC000662277778 412069228 /nfs/dbraw/zinc/06/92/28/412069228.db2.gz RWCUONHFQRXSHX-LLVKDONJSA-N 1 3 200.326 0.818 20 0 BCADHO CC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)N(C)C ZINC000341258018 171229754 /nfs/dbraw/zinc/22/97/54/171229754.db2.gz KTGAYGOQTYOTIG-GHMZBOCLSA-N 1 3 229.368 0.641 20 0 BCADHO CC[C@H](C(N)=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200508 171242997 /nfs/dbraw/zinc/24/29/97/171242997.db2.gz OEVHKTMRYSQRHS-VXGBXAGGSA-N 1 3 239.363 0.714 20 0 BCADHO COC[C@H](CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)OC ZINC000662283077 412074917 /nfs/dbraw/zinc/07/49/17/412074917.db2.gz KJJLTYBDXCKJIM-NDBYEHHHSA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C)OC ZINC000662283077 412074921 /nfs/dbraw/zinc/07/49/21/412074921.db2.gz KJJLTYBDXCKJIM-NDBYEHHHSA-N 1 3 244.379 0.953 20 0 BCADHO COC[C@H](C[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C)OC ZINC000662283077 412074922 /nfs/dbraw/zinc/07/49/22/412074922.db2.gz KJJLTYBDXCKJIM-NDBYEHHHSA-N 1 3 244.379 0.953 20 0 BCADHO CNC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294545 412082505 /nfs/dbraw/zinc/08/25/05/412082505.db2.gz QRPNPGIUJCMVIC-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO CC[C@H](C)[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000019436576 171371160 /nfs/dbraw/zinc/37/11/60/171371160.db2.gz UFPGKKCEKGXULP-VHSXEESVSA-N 1 3 215.341 0.428 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248590569 171394008 /nfs/dbraw/zinc/39/40/08/171394008.db2.gz HATPCRGEDSYUKX-HGCLJGPKSA-N 1 3 239.363 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000041679577 171394623 /nfs/dbraw/zinc/39/46/23/171394623.db2.gz JXLLGZBFHVEUFR-QWRGUYRKSA-N 1 3 229.368 0.818 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392901 171394666 /nfs/dbraw/zinc/39/46/66/171394666.db2.gz TWWFBWXKECPGTA-TUAOUCFPSA-N 1 3 241.379 0.912 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248590572 171394677 /nfs/dbraw/zinc/39/46/77/171394677.db2.gz HATPCRGEDSYUKX-HTFCKZLJSA-N 1 3 239.363 0.556 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236907574 171395144 /nfs/dbraw/zinc/39/51/44/171395144.db2.gz WLTYLKIQFYCTJX-AEJSXWLSSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000038089257 171395345 /nfs/dbraw/zinc/39/53/45/171395345.db2.gz FVDNLMRZZJWPRH-AEJSXWLSSA-N 1 3 215.341 0.426 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(CC)C1 ZINC000040503490 171395353 /nfs/dbraw/zinc/39/53/53/171395353.db2.gz SRCSQMGRXBSMRJ-TUAOUCFPSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186781012 171395848 /nfs/dbraw/zinc/39/58/48/171395848.db2.gz FERDSJRTCNHISX-MMWGEVLESA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)[NH2+]CC(=O)NCCN1CCCC[C@H]1C ZINC000662388592 412139478 /nfs/dbraw/zinc/13/94/78/412139478.db2.gz ROKIGTWSPPFYOI-GFCCVEGCSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@]12COC[C@]1(C)CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000662302591 412088601 /nfs/dbraw/zinc/08/86/01/412088601.db2.gz NBKMHGSKTINPLF-UPJWGTAASA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]12COC[C@H]1CN(C[C@H]1CC[NH2+]C1)C2 ZINC000662311482 412088716 /nfs/dbraw/zinc/08/87/16/412088716.db2.gz SSNQIYHEVOJCFI-TUAOUCFPSA-N 1 3 210.321 0.564 20 0 BCADHO C[C@]12COC[C@@H]1CN(C[C@@H]1CC[NH2+]C1)C2 ZINC000662311484 412091969 /nfs/dbraw/zinc/09/19/69/412091969.db2.gz SSNQIYHEVOJCFI-WOPDTQHZSA-N 1 3 210.321 0.564 20 0 BCADHO CN1CCN(CCC2CC[NH2+]CC2)CCC1=O ZINC000662312558 412094765 /nfs/dbraw/zinc/09/47/65/412094765.db2.gz IGVQEVZNLZGPAR-UHFFFAOYSA-N 1 3 239.363 0.540 20 0 BCADHO C(CN1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662315949 412095357 /nfs/dbraw/zinc/09/53/57/412095357.db2.gz RAOURYCXLRVINU-VXGBXAGGSA-N 1 3 209.337 0.233 20 0 BCADHO C(CN1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000662315948 412096985 /nfs/dbraw/zinc/09/69/85/412096985.db2.gz RAOURYCXLRVINU-RYUDHWBXSA-N 1 3 209.337 0.233 20 0 BCADHO N[C@@H]1CN(CCC2CC[NH2+]CC2)CC[C@H]1F ZINC000662324455 412102357 /nfs/dbraw/zinc/10/23/57/412102357.db2.gz VWUWHUVOLXJXPY-VXGBXAGGSA-N 1 3 229.343 0.747 20 0 BCADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NC[C@@H]1CCCO1 ZINC000665236389 412176853 /nfs/dbraw/zinc/17/68/53/412176853.db2.gz LTIUUIYYBSGKCL-YFKTTZPYSA-N 1 3 228.336 0.507 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000662442110 412177075 /nfs/dbraw/zinc/17/70/75/412177075.db2.gz QJPLFGZMECNPAR-KOLCDFICSA-N 1 3 227.352 0.583 20 0 BCADHO CC(C)NCC(=O)NCC[NH2+]C(C)(C)C ZINC000662468470 412184415 /nfs/dbraw/zinc/18/44/15/412184415.db2.gz VWSUSPBDQAQYLH-UHFFFAOYSA-N 1 3 215.341 0.489 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665244153 412186423 /nfs/dbraw/zinc/18/64/23/412186423.db2.gz HKHBKFNIGOXOLO-QNWHQSFQSA-N 1 3 242.363 0.768 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665244057 412187452 /nfs/dbraw/zinc/18/74/52/412187452.db2.gz FSXANZXUBQVJPR-UKKRHICBSA-N 1 3 216.325 0.363 20 0 BCADHO CO[C@@H](C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665244154 412187541 /nfs/dbraw/zinc/18/75/41/412187541.db2.gz HKHBKFNIGOXOLO-UMSGYPCISA-N 1 3 242.363 0.768 20 0 BCADHO CC[C@H]([NH3+])CNC(=O)C[C@@H](N)c1ccccc1 ZINC000295214205 171484478 /nfs/dbraw/zinc/48/44/78/171484478.db2.gz LYRWLQCNZHIDLK-NWDGAFQWSA-N 1 3 235.331 0.930 20 0 BCADHO CO[C@H](C)CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665245331 412189617 /nfs/dbraw/zinc/18/96/17/412189617.db2.gz FSXANZXUBQVJPR-CHWFTXMASA-N 1 3 216.325 0.363 20 0 BCADHO C[C@H](C[C@@H]1COCCN1)NCC1([NH3+])CCCC1 ZINC000665246581 412190650 /nfs/dbraw/zinc/19/06/50/412190650.db2.gz JCJNYMYYTLKRTF-VXGBXAGGSA-N 1 3 241.379 0.615 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1CN(C)C ZINC000662486914 412190955 /nfs/dbraw/zinc/19/09/55/412190955.db2.gz YEJUGKXCNLILLO-RYUDHWBXSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@@H](C[C@H]1COCCN1)NCC1([NH3+])CCCC1 ZINC000665246580 412191757 /nfs/dbraw/zinc/19/17/57/412191757.db2.gz JCJNYMYYTLKRTF-RYUDHWBXSA-N 1 3 241.379 0.615 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1NCC12CC(C1)C[NH2+]2 ZINC000665277655 412215064 /nfs/dbraw/zinc/21/50/64/412215064.db2.gz HNDOBKNJDGTHRN-ZYGVAYEYSA-N 1 3 209.337 0.278 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000662498165 412196815 /nfs/dbraw/zinc/19/68/15/412196815.db2.gz PBBITJRCSBZPCK-DLOVCJGASA-N 1 3 239.363 0.583 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000662514207 412201303 /nfs/dbraw/zinc/20/13/03/412201303.db2.gz LJXDCVRYHFEJIE-UTLUCORTSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@H](C)NC[C@H]1C ZINC000662514204 412201602 /nfs/dbraw/zinc/20/16/02/412201602.db2.gz LJXDCVRYHFEJIE-AEJSXWLSSA-N 1 3 213.325 0.193 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]1CN(C)C ZINC000662527957 412205912 /nfs/dbraw/zinc/20/59/12/412205912.db2.gz HNKVLAHIFKZSFD-WDEREUQCSA-N 1 3 227.352 0.537 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)NC[C@H](C)N(C)C ZINC000662527809 412205990 /nfs/dbraw/zinc/20/59/90/412205990.db2.gz ZRSHLTKFBPWTCO-IUCAKERBSA-N 1 3 201.314 0.051 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N(C)CCN(C)C1CC1 ZINC000662539006 412208403 /nfs/dbraw/zinc/20/84/03/412208403.db2.gz XVYMQOBWFHLERI-LLVKDONJSA-N 1 3 227.352 0.537 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000662554556 412209672 /nfs/dbraw/zinc/20/96/72/412209672.db2.gz QDHUXLZIVVLHLA-SNVBAGLBSA-N 1 3 213.325 0.243 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000662539917 412209822 /nfs/dbraw/zinc/20/98/22/412209822.db2.gz OAMDPZQLNAEEHS-FOGDFJRCSA-N 1 3 239.363 0.726 20 0 BCADHO C[C@@H](C[NH3+])CNC(=O)C[C@@H]1NCc2ccccc21 ZINC000662548393 412211733 /nfs/dbraw/zinc/21/17/33/412211733.db2.gz DXXYMIWMFKUOND-GWCFXTLKSA-N 1 3 247.342 0.932 20 0 BCADHO CN[C@@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000662397465 412147823 /nfs/dbraw/zinc/14/78/23/412147823.db2.gz FAOUMXDWLWXICG-GUBZILKMSA-N 1 3 213.325 0.323 20 0 BCADHO CC[C@H]([NH2+]C)C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000662415625 412156461 /nfs/dbraw/zinc/15/64/61/412156461.db2.gz IJIQFDKEDFJMCH-BBBLOLIVSA-N 1 3 213.325 0.193 20 0 BCADHO CC(C)NCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000662418840 412160030 /nfs/dbraw/zinc/16/00/30/412160030.db2.gz CFIWCRUVAZDXSW-UWVGGRQHSA-N 1 3 213.325 0.180 20 0 BCADHO CN(CCC[NH3+])C(=O)C1(NC2CC2)CCC1 ZINC000662420013 412161221 /nfs/dbraw/zinc/16/12/21/412161221.db2.gz BLSNUCZFSWEXSP-UHFFFAOYSA-N 1 3 225.336 0.468 20 0 BCADHO CCCN1CC[C@H](N[C@H](C)C2C[NH2+]C2)C1 ZINC000665274093 412215841 /nfs/dbraw/zinc/21/58/41/412215841.db2.gz JLPWNPAWDHDUST-PWSUYJOCSA-N 1 3 211.353 0.668 20 0 BCADHO CC(C)[C@@H]([NH3+])CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662422362 412162404 /nfs/dbraw/zinc/16/24/04/412162404.db2.gz IFYDDWMDFYIYNY-JTQLQIEISA-N 1 3 239.363 0.748 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000662425229 412165769 /nfs/dbraw/zinc/16/57/69/412165769.db2.gz YSKAMNNDNCOPAH-LPEHRKFASA-N 1 3 213.325 0.180 20 0 BCADHO COC[C@H](CC[NH2+][C@@H]1CCC[C@H](N)C1)OC ZINC000665235642 412173445 /nfs/dbraw/zinc/17/34/45/412173445.db2.gz XQODWRJMCFUYPU-TUAOUCFPSA-N 1 3 230.352 0.897 20 0 BCADHO COC[C@H](CC[NH2+][C@@H](C)C[C@H](C)N)OC ZINC000665234394 412173709 /nfs/dbraw/zinc/17/37/09/412173709.db2.gz CFIHLMYZFXGKBQ-DCAQKATOSA-N 1 3 218.341 0.753 20 0 BCADHO COC[C@H](CCN[C@@H]1C[NH2+]CC[C@H]1C)OC ZINC000665235316 412173815 /nfs/dbraw/zinc/17/38/15/412173815.db2.gz UEGXJWWYCAAKHZ-GRYCIOLGSA-N 1 3 230.352 0.626 20 0 BCADHO NC(C(=O)NCC1([NH3+])CCCC1)C(F)(F)F ZINC000662650248 412256429 /nfs/dbraw/zinc/25/64/29/412256429.db2.gz XRNIBZWHBMYNFJ-ZCFIWIBFSA-N 1 3 239.241 0.264 20 0 BCADHO CCCN(C)CC(=O)NCC1([NH3+])CCCC1 ZINC000662650611 412256976 /nfs/dbraw/zinc/25/69/76/412256976.db2.gz CGZNOSZWOMMGIL-UHFFFAOYSA-N 1 3 227.352 0.716 20 0 BCADHO CC(C)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000662654677 412258732 /nfs/dbraw/zinc/25/87/32/412258732.db2.gz KULUXEGAHZBZOA-JTQLQIEISA-N 1 3 227.352 0.748 20 0 BCADHO C[C@H]1C[C@@H](NCCNc2cnccn2)CC[N@@H+]1C ZINC000361980186 412267792 /nfs/dbraw/zinc/26/77/92/412267792.db2.gz HZBRUZUAGDHFTP-RYUDHWBXSA-N 1 3 249.362 0.961 20 0 BCADHO C[C@H]1C[C@@H](NCCNc2cnccn2)CC[N@H+]1C ZINC000361980186 412267794 /nfs/dbraw/zinc/26/77/94/412267794.db2.gz HZBRUZUAGDHFTP-RYUDHWBXSA-N 1 3 249.362 0.961 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000662678923 412268468 /nfs/dbraw/zinc/26/84/68/412268468.db2.gz KLQDMBQYHVVVDI-TUAOUCFPSA-N 1 3 241.379 0.973 20 0 BCADHO C[C@@H](CNC(=O)C1(N)CC2(CCC2)C1)[NH+](C)C ZINC000662692715 412273186 /nfs/dbraw/zinc/27/31/86/412273186.db2.gz FYAHMKNVLRFXCQ-JTQLQIEISA-N 1 3 239.363 0.714 20 0 BCADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](C)N ZINC000662693941 412273308 /nfs/dbraw/zinc/27/33/08/412273308.db2.gz NGAHYDMMQJUNKN-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CCCCN(C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662702078 412275532 /nfs/dbraw/zinc/27/55/32/412275532.db2.gz WXMVCKHTZHCXFS-XYPYZODXSA-N 1 3 227.352 0.572 20 0 BCADHO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000662707802 412278979 /nfs/dbraw/zinc/27/89/79/412278979.db2.gz IACLIRCRGPZJJG-SRVKXCTJSA-N 1 3 237.347 0.420 20 0 BCADHO CN(C(=O)CC1([NH3+])CC1)[C@@H]1CCN(C2CC2)C1 ZINC000662719551 412283480 /nfs/dbraw/zinc/28/34/80/412283480.db2.gz FMBZNKQEEJLQHT-LLVKDONJSA-N 1 3 237.347 0.563 20 0 BCADHO CN(C(=O)CC1([NH3+])CC1)[C@H]1CCN(C2CC2)C1 ZINC000662719552 412283526 /nfs/dbraw/zinc/28/35/26/412283526.db2.gz FMBZNKQEEJLQHT-NSHDSACASA-N 1 3 237.347 0.563 20 0 BCADHO CCC[C@](C)(N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662724161 412284364 /nfs/dbraw/zinc/28/43/64/412284364.db2.gz MBSKHWBLKFLKIH-PWSUYJOCSA-N 1 3 229.368 0.994 20 0 BCADHO CCC[C@@](C)(N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662723936 412284673 /nfs/dbraw/zinc/28/46/73/412284673.db2.gz JPRJFSIZEPRIEY-CKBZRRDASA-N 1 3 225.336 0.372 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662731469 412286721 /nfs/dbraw/zinc/28/67/21/412286721.db2.gz DFWHCWPBYBRLAT-GWOFURMSSA-N 1 3 225.336 0.323 20 0 BCADHO CC[C@@H]1CN(C(=O)CNC(C)C)CC[C@@H]1[NH3+] ZINC000662558059 412217514 /nfs/dbraw/zinc/21/75/14/412217514.db2.gz SLOBDDSENGXWLC-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)NCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000662560548 412219062 /nfs/dbraw/zinc/21/90/62/412219062.db2.gz GFGLSPLFEUPCPN-NXEZZACHSA-N 1 3 213.325 0.241 20 0 BCADHO CC(C)NCC(=O)N[C@H](C)CCCC[NH3+] ZINC000662564447 412220079 /nfs/dbraw/zinc/22/00/79/412220079.db2.gz QMLAQKOJYOUHNU-SNVBAGLBSA-N 1 3 215.341 0.618 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)N1CCNC(C)(C)C1 ZINC000662573869 412226295 /nfs/dbraw/zinc/22/62/95/412226295.db2.gz WMMCMCUGLFQLJJ-SECBINFHSA-N 1 3 213.325 0.195 20 0 BCADHO CN(CC[NH3+])C(=O)c1cc2c(s1)CCNC2 ZINC000662576725 412226317 /nfs/dbraw/zinc/22/63/17/412226317.db2.gz ZJWRLFOASNPNJY-UHFFFAOYSA-N 1 3 239.344 0.425 20 0 BCADHO C[NH2+]C[C@H](C)N[C@@H](C)C1CCOCC1 ZINC000665296689 412231458 /nfs/dbraw/zinc/23/14/58/412231458.db2.gz WLRUUMAVGZGATA-UWVGGRQHSA-N 1 3 200.326 0.999 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662621532 412231778 /nfs/dbraw/zinc/23/17/78/412231778.db2.gz IXEHLSLVCRWSIQ-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](N)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662621532 412231781 /nfs/dbraw/zinc/23/17/81/412231781.db2.gz IXEHLSLVCRWSIQ-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589733 412232314 /nfs/dbraw/zinc/23/23/14/412232314.db2.gz CZCSHBHGPQIXIV-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589733 412232318 /nfs/dbraw/zinc/23/23/18/412232318.db2.gz CZCSHBHGPQIXIV-VHSXEESVSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662611590 412232467 /nfs/dbraw/zinc/23/24/67/412232467.db2.gz AVBQYTPQNCTITK-IUCAKERBSA-N 1 3 215.341 0.556 20 0 BCADHO C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662589732 412232596 /nfs/dbraw/zinc/23/25/96/412232596.db2.gz CZCSHBHGPQIXIV-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662589732 412232600 /nfs/dbraw/zinc/23/26/00/412232600.db2.gz CZCSHBHGPQIXIV-UWVGGRQHSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662592163 412234050 /nfs/dbraw/zinc/23/40/50/412234050.db2.gz XOBYIEJNVOTVPA-CMPLNLGQSA-N 1 3 239.363 0.572 20 0 BCADHO CN(CC(C)(C)[NH3+])C(=O)C[C@@H]1CSCCN1 ZINC000662605898 412237990 /nfs/dbraw/zinc/23/79/90/412237990.db2.gz UBWXMRGHMOUEDH-SECBINFHSA-N 1 3 245.392 0.277 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000662621920 412244278 /nfs/dbraw/zinc/24/42/78/412244278.db2.gz LVLJUBNWAHXFCN-WDEREUQCSA-N 1 3 241.379 0.831 20 0 BCADHO C[NH2+]C[C@H](C)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000665296769 412244789 /nfs/dbraw/zinc/24/47/89/412244789.db2.gz XOFVKOIWYWJPSH-SCVCMEIPSA-N 1 3 211.353 0.667 20 0 BCADHO C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000662621918 412244939 /nfs/dbraw/zinc/24/49/39/412244939.db2.gz LVLJUBNWAHXFCN-MNOVXSKESA-N 1 3 241.379 0.831 20 0 BCADHO [NH3+][C@H]1CCC[C@@H](NCCOCCF)C1 ZINC000665298932 412248497 /nfs/dbraw/zinc/24/84/97/412248497.db2.gz CHXVCZFRODBHAP-VHSXEESVSA-N 1 3 204.289 0.832 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662629652 412248580 /nfs/dbraw/zinc/24/85/80/412248580.db2.gz AWLRUFBIOJGVHU-DCAQKATOSA-N 1 3 229.368 0.816 20 0 BCADHO CC(C)[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633654 412251508 /nfs/dbraw/zinc/25/15/08/412251508.db2.gz NAZXLGIARSLTBD-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CC(C)[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000662633655 412251654 /nfs/dbraw/zinc/25/16/54/412251654.db2.gz NAZXLGIARSLTBD-VHSXEESVSA-N 1 3 215.341 0.426 20 0 BCADHO CN1CC[C@@H]2CCN(C(=O)CC3([NH3+])CC3)[C@@H]2C1 ZINC000662804639 412306382 /nfs/dbraw/zinc/30/63/82/412306382.db2.gz GEJVKOHQBGSQEI-GHMZBOCLSA-N 1 3 237.347 0.420 20 0 BCADHO [NH3+]CCC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662839335 412316230 /nfs/dbraw/zinc/31/62/30/412316230.db2.gz PVTORPIFEXRCSL-WDEREUQCSA-N 1 3 225.336 0.468 20 0 BCADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)[C@H]1CC[NH2+]1 ZINC000662840081 412318874 /nfs/dbraw/zinc/31/88/74/412318874.db2.gz XNKDHWHFMXNZTH-QJPTWQEYSA-N 1 3 237.347 0.481 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NCC2([NH3+])CCCC2)C1 ZINC000662863344 412329599 /nfs/dbraw/zinc/32/95/99/412329599.db2.gz OVVGLMBMCPPTQU-MNOVXSKESA-N 1 3 239.363 0.762 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)CC(C)(C)[NH3+])CCN1C ZINC000132939476 412367103 /nfs/dbraw/zinc/36/71/03/412367103.db2.gz ZSVOJCIHJKFJLB-NXEZZACHSA-N 1 3 227.352 0.713 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)CC(C)(C)[NH3+])CCN1C ZINC000132939880 412367156 /nfs/dbraw/zinc/36/71/56/412367156.db2.gz ZSVOJCIHJKFJLB-ZJUUUORDSA-N 1 3 227.352 0.713 20 0 BCADHO CCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000662911874 412343855 /nfs/dbraw/zinc/34/38/55/412343855.db2.gz WSKGXKWLRBOQEV-OUAUKWLOSA-N 1 3 225.336 0.324 20 0 BCADHO CC(C)[C@H](C(=O)NCC12CC(C1)C[NH2+]2)N(C)C ZINC000662923705 412346185 /nfs/dbraw/zinc/34/61/85/412346185.db2.gz YCMZOGLTSVABLK-QWKFWESOSA-N 1 3 239.363 0.441 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCCN1 ZINC000662924864 412346690 /nfs/dbraw/zinc/34/66/90/412346690.db2.gz KAZHMLHMGHCHIS-GHMZBOCLSA-N 1 3 227.352 0.618 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)C1(N)CCCC1 ZINC000662925148 412347140 /nfs/dbraw/zinc/34/71/40/412347140.db2.gz NOYRYTBVBQPBAP-SNVBAGLBSA-N 1 3 227.352 0.748 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000662952822 412352623 /nfs/dbraw/zinc/35/26/23/412352623.db2.gz HUADYRHGFHYUNS-IUCAKERBSA-N 1 3 201.314 0.084 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC000662965160 412357649 /nfs/dbraw/zinc/35/76/49/412357649.db2.gz IDOUFDQTKICAMA-UWVGGRQHSA-N 1 3 215.341 0.297 20 0 BCADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1C ZINC000132921795 412358451 /nfs/dbraw/zinc/35/84/51/412358451.db2.gz RZJIMMLDNPRCAC-KXNHARMFSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1C ZINC000132921582 412358731 /nfs/dbraw/zinc/35/87/31/412358731.db2.gz RZJIMMLDNPRCAC-QCNOEVLYSA-N 1 3 239.363 0.713 20 0 BCADHO C[C@@H](N)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973125 412361859 /nfs/dbraw/zinc/36/18/59/412361859.db2.gz WTVXKWQORTTYJU-SNVBAGLBSA-N 1 3 239.363 0.572 20 0 BCADHO NCC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973491 412362167 /nfs/dbraw/zinc/36/21/67/412362167.db2.gz ZUEHBUGKNQHULR-UHFFFAOYSA-N 1 3 225.336 0.183 20 0 BCADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H]([NH3+])C2)CCN1C ZINC000662747287 412289729 /nfs/dbraw/zinc/28/97/29/412289729.db2.gz YZYWPXZIPVMLGK-DDHJBXDOSA-N 1 3 239.363 0.665 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748063 412290140 /nfs/dbraw/zinc/29/01/40/412290140.db2.gz KKJBTWGTGJUOQF-HTQZYQBOSA-N 1 3 217.288 0.012 20 0 BCADHO N[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]2)CC[C@H]1F ZINC000662749087 412292059 /nfs/dbraw/zinc/29/20/59/412292059.db2.gz KBVRYDKMRAMXMI-HBNTYKKESA-N 1 3 243.326 0.416 20 0 BCADHO CCC[NH2+]CCNC(=O)C1(NC2CC2)CCC1 ZINC000662761697 412293806 /nfs/dbraw/zinc/29/38/06/412293806.db2.gz XMANOTKTMVMYFG-UHFFFAOYSA-N 1 3 239.363 0.777 20 0 BCADHO CC[C@@H]([NH2+]C)C(=O)Nc1cnc2c(c1)CNCC2 ZINC000662765340 412295220 /nfs/dbraw/zinc/29/52/20/412295220.db2.gz YLGAUHUTYOYHJG-LLVKDONJSA-N 1 3 248.330 0.664 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)C1(N)CC2(CCC2)C1 ZINC000662765094 412295245 /nfs/dbraw/zinc/29/52/45/412295245.db2.gz VRIYBQGGGNXUCV-SECBINFHSA-N 1 3 225.336 0.502 20 0 BCADHO C[C@H]1NCCN(C(=O)CC2([NH3+])CC2)[C@@H]1C ZINC000662771801 412297091 /nfs/dbraw/zinc/29/70/91/412297091.db2.gz ANFYPJKZMOKDDF-RKDXNWHRSA-N 1 3 211.309 0.077 20 0 BCADHO NC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC2(CCC2)C1 ZINC000662772545 412298272 /nfs/dbraw/zinc/29/82/72/412298272.db2.gz AIZAVBBSVKKIBV-PHIMTYICSA-N 1 3 249.358 0.326 20 0 BCADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNc1cnccn1 ZINC000422892013 412299781 /nfs/dbraw/zinc/29/97/81/412299781.db2.gz XITKYZHJTRQMKC-QWRGUYRKSA-N 1 3 235.335 0.606 20 0 BCADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000422892013 412299785 /nfs/dbraw/zinc/29/97/85/412299785.db2.gz XITKYZHJTRQMKC-QWRGUYRKSA-N 1 3 235.335 0.606 20 0 BCADHO C[C@@H](NC(=O)C1(NC2CC2)CCC1)[C@H](C)[NH3+] ZINC000662784686 412301366 /nfs/dbraw/zinc/30/13/66/412301366.db2.gz VRJGEFNXOJOPPN-DTWKUNHWSA-N 1 3 225.336 0.513 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662784688 412301870 /nfs/dbraw/zinc/30/18/70/412301870.db2.gz VRJGEFNXOJOPPN-IUCAKERBSA-N 1 3 225.336 0.513 20 0 BCADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CC1([NH3+])CC1 ZINC000662794182 412304867 /nfs/dbraw/zinc/30/48/67/412304867.db2.gz PKZLTKSSINAYPB-QWRGUYRKSA-N 1 3 239.363 0.666 20 0 BCADHO C[C@]1(NC(=O)C[C@@H](N)c2ccccc2)CC[NH2+]C1 ZINC000663012762 412370919 /nfs/dbraw/zinc/37/09/19/412370919.db2.gz YUPQWAKAXXWGFG-OCCSQVGLSA-N 1 3 247.342 0.945 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663012785 412370933 /nfs/dbraw/zinc/37/09/33/412370933.db2.gz ZFRTVHFAXJNUKO-NQBHXWOUSA-N 1 3 239.363 0.727 20 0 BCADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663012784 412370974 /nfs/dbraw/zinc/37/09/74/412370974.db2.gz ZFRTVHFAXJNUKO-LOWVWBTDSA-N 1 3 239.363 0.727 20 0 BCADHO CN(C)CCN(C)C(=O)/C=C/C[NH+](C)C ZINC000267885709 172396917 /nfs/dbraw/zinc/39/69/17/172396917.db2.gz QZDTXAIPTFGEOE-VOTSOKGWSA-N 1 3 213.325 0.124 20 0 BCADHO CN(C)CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610585 172459433 /nfs/dbraw/zinc/45/94/33/172459433.db2.gz FEJAWNSTYFJWGZ-LBPRGKRZSA-N 1 3 235.331 0.407 20 0 BCADHO CN(C)C[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC000061644913 172496166 /nfs/dbraw/zinc/49/61/66/172496166.db2.gz INIYIAODUASGGM-VXGBXAGGSA-N 1 3 239.363 0.681 20 0 BCADHO C[NH+]1CCC(CNC(=O)C2(N)CCCC2)CC1 ZINC000044526645 172985398 /nfs/dbraw/zinc/98/53/98/172985398.db2.gz WNNZWCYXNHCFGH-UHFFFAOYSA-N 1 3 239.363 0.716 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)C1 ZINC000305660810 173027832 /nfs/dbraw/zinc/02/78/32/173027832.db2.gz OFTHRMWRZMBWKG-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](O)C1 ZINC000305660810 173027835 /nfs/dbraw/zinc/02/78/35/173027835.db2.gz OFTHRMWRZMBWKG-VXGBXAGGSA-N 1 3 212.337 0.927 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000082284251 173030938 /nfs/dbraw/zinc/03/09/38/173030938.db2.gz AAMSQRCWCWTIRO-CYBMUJFWSA-N 1 3 247.342 0.969 20 0 BCADHO C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000226394550 173031589 /nfs/dbraw/zinc/03/15/89/173031589.db2.gz JIVOUGRSDHQHBF-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](N)C(C)(C)C ZINC000226394550 173031590 /nfs/dbraw/zinc/03/15/90/173031590.db2.gz JIVOUGRSDHQHBF-NXEZZACHSA-N 1 3 227.352 0.570 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000224045968 173032257 /nfs/dbraw/zinc/03/22/57/173032257.db2.gz VXOXKBZQPKPTBB-LLVKDONJSA-N 1 3 239.363 0.858 20 0 BCADHO CN1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000333937271 173032264 /nfs/dbraw/zinc/03/22/64/173032264.db2.gz LKXKQPDLCOLJFF-SNVBAGLBSA-N 1 3 240.351 0.261 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1CC[C@H](CC(N)=O)C1 ZINC000377505924 173052468 /nfs/dbraw/zinc/05/24/68/173052468.db2.gz QWOYMGNZLHAJIA-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1CC[C@H](CC(N)=O)C1 ZINC000377505924 173052470 /nfs/dbraw/zinc/05/24/70/173052470.db2.gz QWOYMGNZLHAJIA-NEPJUHHUSA-N 1 3 239.363 0.668 20 0 BCADHO C[N@@H+]1CCC[C@H]1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442810 173054720 /nfs/dbraw/zinc/05/47/20/173054720.db2.gz SBDTZXGZHJUFBS-WUHRBBMRSA-N 1 3 224.348 0.641 20 0 BCADHO C[N@H+]1CCC[C@H]1CCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366442810 173054723 /nfs/dbraw/zinc/05/47/23/173054723.db2.gz SBDTZXGZHJUFBS-WUHRBBMRSA-N 1 3 224.348 0.641 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C1(C[NH3+])CCCC1 ZINC000226394154 173054753 /nfs/dbraw/zinc/05/47/53/173054753.db2.gz VTXMPHHIWUZMGO-NSHDSACASA-N 1 3 239.363 0.716 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000336358746 173141391 /nfs/dbraw/zinc/14/13/91/173141391.db2.gz JIBZJBNGOMPNRF-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000336358746 173141394 /nfs/dbraw/zinc/14/13/94/173141394.db2.gz JIBZJBNGOMPNRF-QWRGUYRKSA-N 1 3 225.336 0.149 20 0 BCADHO CN1CC[C@H](N2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000310516937 173150559 /nfs/dbraw/zinc/15/05/59/173150559.db2.gz MPOLCCKJMGFVHJ-NSHDSACASA-N 1 3 237.347 0.293 20 0 BCADHO C[N@@H+]1CC[C@]2(CCN(CCC3OCCO3)C2)C1 ZINC000366535293 173167852 /nfs/dbraw/zinc/16/78/52/173167852.db2.gz OLXJCVSVWRUXHU-ZDUSSCGKSA-N 1 3 240.347 0.777 20 0 BCADHO C[N@H+]1CC[C@]2(CCN(CCC3OCCO3)C2)C1 ZINC000366535293 173167855 /nfs/dbraw/zinc/16/78/55/173167855.db2.gz OLXJCVSVWRUXHU-ZDUSSCGKSA-N 1 3 240.347 0.777 20 0 BCADHO CNC(=O)C[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000309616748 173280189 /nfs/dbraw/zinc/28/01/89/173280189.db2.gz DAXOTFXBTKVBCO-SNVBAGLBSA-N 1 3 229.368 0.688 20 0 BCADHO CNC(=O)C[C@H](C)NCCC[N@H+](C)C(C)C ZINC000336759467 173281961 /nfs/dbraw/zinc/28/19/61/173281961.db2.gz JAOBQZNRAWMQRJ-NSHDSACASA-N 1 3 229.368 0.831 20 0 BCADHO CNC(=O)C[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000336759467 173281962 /nfs/dbraw/zinc/28/19/62/173281962.db2.gz JAOBQZNRAWMQRJ-NSHDSACASA-N 1 3 229.368 0.831 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]CCCN(C)C(C)C ZINC000336759467 173281963 /nfs/dbraw/zinc/28/19/63/173281963.db2.gz JAOBQZNRAWMQRJ-NSHDSACASA-N 1 3 229.368 0.831 20 0 BCADHO CNC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000309094858 173282297 /nfs/dbraw/zinc/28/22/97/173282297.db2.gz DMELJZZBAREXSI-UWVGGRQHSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000309094858 173282298 /nfs/dbraw/zinc/28/22/98/173282298.db2.gz DMELJZZBAREXSI-UWVGGRQHSA-N 1 3 215.341 0.298 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000323043250 173283287 /nfs/dbraw/zinc/28/32/87/173283287.db2.gz OWTHEYWZHQTWOQ-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000323043250 173283288 /nfs/dbraw/zinc/28/32/88/173283288.db2.gz OWTHEYWZHQTWOQ-SDDRHHMPSA-N 1 3 239.363 0.727 20 0 BCADHO CNC(=O)[C@@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000042394238 173298865 /nfs/dbraw/zinc/29/88/65/173298865.db2.gz JYPOVVDNVJMRTK-LBPRGKRZSA-N 1 3 239.363 0.587 20 0 BCADHO CNCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000037826108 173325389 /nfs/dbraw/zinc/32/53/89/173325389.db2.gz BWVGCZMEDNGQCZ-UHFFFAOYSA-N 1 3 213.325 0.006 20 0 BCADHO CNCC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000373041221 173325913 /nfs/dbraw/zinc/32/59/13/173325913.db2.gz YPWDEVOXWZPGKF-GFCCVEGCSA-N 1 3 239.363 0.683 20 0 BCADHO CNCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000373837656 173326161 /nfs/dbraw/zinc/32/61/61/173326161.db2.gz STBZQEAEGRXLEC-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CNCC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000373837656 173326163 /nfs/dbraw/zinc/32/61/63/173326163.db2.gz STBZQEAEGRXLEC-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CNCC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000336424103 173326887 /nfs/dbraw/zinc/32/68/87/173326887.db2.gz KNEFJRIEYYGRLS-NSHDSACASA-N 1 3 225.336 0.196 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370771174 173328166 /nfs/dbraw/zinc/32/81/66/173328166.db2.gz GCUYCUIBEUDIMM-QJPTWQEYSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370771174 173328167 /nfs/dbraw/zinc/32/81/67/173328167.db2.gz GCUYCUIBEUDIMM-QJPTWQEYSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370771175 173328218 /nfs/dbraw/zinc/32/82/18/173328218.db2.gz GCUYCUIBEUDIMM-SDDRHHMPSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370771175 173328219 /nfs/dbraw/zinc/32/82/19/173328219.db2.gz GCUYCUIBEUDIMM-SDDRHHMPSA-N 1 3 237.347 0.149 20 0 BCADHO CNCC(=O)NCCC1CC[NH+](C)CC1 ZINC000122177955 173329129 /nfs/dbraw/zinc/32/91/29/173329129.db2.gz JGTYYKHMJLVEHK-UHFFFAOYSA-N 1 3 213.325 0.054 20 0 BCADHO CNCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000237220699 173329188 /nfs/dbraw/zinc/32/91/88/173329188.db2.gz VZHLJEDDSJIZHV-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CNCC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000237220699 173329190 /nfs/dbraw/zinc/32/91/90/173329190.db2.gz VZHLJEDDSJIZHV-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CNCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000237221845 173329320 /nfs/dbraw/zinc/32/93/20/173329320.db2.gz HVWULPSBPKVGOL-VXGBXAGGSA-N 1 3 241.379 0.690 20 0 BCADHO CNCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000237220673 173329358 /nfs/dbraw/zinc/32/93/58/173329358.db2.gz VZHLJEDDSJIZHV-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CNCC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000237220673 173329359 /nfs/dbraw/zinc/32/93/59/173329359.db2.gz VZHLJEDDSJIZHV-LBPRGKRZSA-N 1 3 241.379 0.977 20 0 BCADHO CNCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000237266149 173331433 /nfs/dbraw/zinc/33/14/33/173331433.db2.gz CIXIGXCDFBXGHO-SECBINFHSA-N 1 3 215.341 0.298 20 0 BCADHO CNCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000237266606 173331510 /nfs/dbraw/zinc/33/15/10/173331510.db2.gz BGCXGKDJLZAQJE-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000237266606 173331512 /nfs/dbraw/zinc/33/15/12/173331512.db2.gz BGCXGKDJLZAQJE-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO CNCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237258142 173331548 /nfs/dbraw/zinc/33/15/48/173331548.db2.gz QBPBCUTWMURVGJ-JTQLQIEISA-N 1 3 213.325 0.230 20 0 BCADHO C[NH2+]CC1CCN(CCn2cccn2)CC1 ZINC000051756253 173338563 /nfs/dbraw/zinc/33/85/63/173338563.db2.gz HNGGTCPZQJRXNG-UHFFFAOYSA-N 1 3 222.336 0.815 20 0 BCADHO C[NH2+]CC1CCN(CC(=O)N(C)C2CC2)CC1 ZINC000063166296 173338635 /nfs/dbraw/zinc/33/86/35/173338635.db2.gz ZYWBXNRDBOBRGI-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO C[NH2+]CCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000375992128 173340583 /nfs/dbraw/zinc/34/05/83/173340583.db2.gz MYLYDYDTHNQXIC-ZDUSSCGKSA-N 1 3 247.342 0.599 20 0 BCADHO C[NH2+]CCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000357240790 173341745 /nfs/dbraw/zinc/34/17/45/173341745.db2.gz KGAGLZQTBHDASP-GXSJLCMTSA-N 1 3 225.336 0.195 20 0 BCADHO C[NH2+]CCCC(=O)NC[C@@H](C)N(C)C ZINC000038089339 173344326 /nfs/dbraw/zinc/34/43/26/173344326.db2.gz VBYCHZWCRAEEBB-SECBINFHSA-N 1 3 201.314 0.052 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000237297927 173352062 /nfs/dbraw/zinc/35/20/62/173352062.db2.gz FZMIEFSRRXLJHU-GFCCVEGCSA-N 1 3 241.379 0.929 20 0 BCADHO C[NH2+]CCN(C)C(=O)[C@@H](CN)c1ccccc1 ZINC000070304846 173352237 /nfs/dbraw/zinc/35/22/37/173352237.db2.gz AYTHJUPXXXNRCW-LBPRGKRZSA-N 1 3 235.331 0.407 20 0 BCADHO C[NH2+]C[C@@H]1CCCN(C[C@H]2CCOC2)C1 ZINC000250740510 173367934 /nfs/dbraw/zinc/36/79/34/173367934.db2.gz MQDFOZCJPQZQOS-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000250740510 173367935 /nfs/dbraw/zinc/36/79/35/173367935.db2.gz MQDFOZCJPQZQOS-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000250740510 173367937 /nfs/dbraw/zinc/36/79/37/173367937.db2.gz MQDFOZCJPQZQOS-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000053033997 173370741 /nfs/dbraw/zinc/37/07/41/173370741.db2.gz OIHOJSJBYBJDDH-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000053033997 173370742 /nfs/dbraw/zinc/37/07/42/173370742.db2.gz OIHOJSJBYBJDDH-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@@H]1CCN(C[C@@H]2CCCOC2)C1 ZINC000053033997 173370744 /nfs/dbraw/zinc/37/07/44/173370744.db2.gz OIHOJSJBYBJDDH-RYUDHWBXSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C[C@@H]2CCOC2)C1 ZINC000042361210 173378612 /nfs/dbraw/zinc/37/86/12/173378612.db2.gz MQDFOZCJPQZQOS-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000042361210 173378614 /nfs/dbraw/zinc/37/86/14/173378614.db2.gz MQDFOZCJPQZQOS-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000042361210 173378615 /nfs/dbraw/zinc/37/86/15/173378615.db2.gz MQDFOZCJPQZQOS-NEPJUHHUSA-N 1 3 212.337 0.954 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000237301342 173379073 /nfs/dbraw/zinc/37/90/73/173379073.db2.gz HAMQOTOGNLLLBM-NEPJUHHUSA-N 1 3 239.363 0.587 20 0 BCADHO C[NH2+]C[C@H]1CCCN(C[C@H]2CCOC2)C1 ZINC000250740515 173379242 /nfs/dbraw/zinc/37/92/42/173379242.db2.gz MQDFOZCJPQZQOS-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000250740515 173379243 /nfs/dbraw/zinc/37/92/43/173379243.db2.gz MQDFOZCJPQZQOS-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO CNC[C@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC000250740515 173379244 /nfs/dbraw/zinc/37/92/44/173379244.db2.gz MQDFOZCJPQZQOS-VXGBXAGGSA-N 1 3 212.337 0.954 20 0 BCADHO COCCC[N@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000237189943 174215986 /nfs/dbraw/zinc/21/59/86/174215986.db2.gz QTCLOGKYBBXKNB-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO COCCC[N@@H+](C)CCNC(=O)[C@@H](N)C(C)C ZINC000237189943 174215988 /nfs/dbraw/zinc/21/59/88/174215988.db2.gz QTCLOGKYBBXKNB-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO COCCN(C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000061380452 174278011 /nfs/dbraw/zinc/27/80/11/174278011.db2.gz GKPHMRRMXPDXCW-SNVBAGLBSA-N 1 3 245.367 0.054 20 0 BCADHO COCCN(C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000061380470 174278088 /nfs/dbraw/zinc/27/80/88/174278088.db2.gz YCAMHBSBYNEQIM-NSHDSACASA-N 1 3 245.367 0.054 20 0 BCADHO COCCOCCN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122324280 174354420 /nfs/dbraw/zinc/35/44/20/174354420.db2.gz VAPYMSDQXMMPJF-WDEREUQCSA-N 1 3 216.325 0.319 20 0 BCADHO C[C@@H](C[NH2+]CC1(C)COC1)CN(C)C ZINC000308586420 175731976 /nfs/dbraw/zinc/73/19/76/175731976.db2.gz SENHISLWPQPIQJ-JTQLQIEISA-N 1 3 200.326 0.810 20 0 BCADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CC1 ZINC000336768680 175868364 /nfs/dbraw/zinc/86/83/64/175868364.db2.gz UVKKNMZZBXHRRO-SNVBAGLBSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](CC(N)=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000341906923 176102916 /nfs/dbraw/zinc/10/29/16/176102916.db2.gz YNZAJBZKKVJUKA-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H](CC(N)=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000341906923 176102918 /nfs/dbraw/zinc/10/29/18/176102918.db2.gz YNZAJBZKKVJUKA-IJLUTSLNSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000237401501 176103693 /nfs/dbraw/zinc/10/36/93/176103693.db2.gz GOELIICOPAXDHI-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H](N)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000237401501 176103694 /nfs/dbraw/zinc/10/36/94/176103694.db2.gz GOELIICOPAXDHI-GMTAPVOTSA-N 1 3 227.352 0.570 20 0 BCADHO C[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336685044 176108500 /nfs/dbraw/zinc/10/85/00/176108500.db2.gz KNCMUJQKBCUWMZ-PWSUYJOCSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1CCCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336685044 176108501 /nfs/dbraw/zinc/10/85/01/176108501.db2.gz KNCMUJQKBCUWMZ-PWSUYJOCSA-N 1 3 212.337 0.926 20 0 BCADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)C1CCC1 ZINC000332472011 176186145 /nfs/dbraw/zinc/18/61/45/176186145.db2.gz MOTGRQSKZLUEAK-IEBDPFPHSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)CN1CCC[NH2+]C1CC1 ZINC000042438670 176222012 /nfs/dbraw/zinc/22/20/12/176222012.db2.gz IIOYNAWEUYFHOI-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCNC1CC1 ZINC000042438670 176222013 /nfs/dbraw/zinc/22/20/13/176222013.db2.gz IIOYNAWEUYFHOI-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCCNC1CC1 ZINC000042438670 176222015 /nfs/dbraw/zinc/22/20/15/176222015.db2.gz IIOYNAWEUYFHOI-MNOVXSKESA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1CN(C(=O)C2(N)CCCCC2)CC[C@H]1[NH3+] ZINC000336302899 176242678 /nfs/dbraw/zinc/24/26/78/176242678.db2.gz BFTIBPHEIMEZOA-GHMZBOCLSA-N 1 3 239.363 0.844 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCN2C)C[C@H]1[NH3+] ZINC000333948725 176251140 /nfs/dbraw/zinc/25/11/40/176251140.db2.gz WOYYIXBTNDEQIE-GMTAPVOTSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)CN1 ZINC000333846344 176251609 /nfs/dbraw/zinc/25/16/09/176251609.db2.gz PELPJWOEVWWNQH-GMTAPVOTSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](C)CN1 ZINC000331893671 176251667 /nfs/dbraw/zinc/25/16/67/176251667.db2.gz RJVZYWVANFOEJY-FXPVBKGRSA-N 1 3 240.351 0.116 20 0 BCADHO C[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)CN1 ZINC000333668327 176252630 /nfs/dbraw/zinc/25/26/30/176252630.db2.gz MRBATDPEVOPWOL-MXWKQRLJSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC(=O)N(C)C1 ZINC000336757934 176270324 /nfs/dbraw/zinc/27/03/24/176270324.db2.gz ZIEMXAUMDDANJW-OUAUKWLOSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC(=O)N(C)C1 ZINC000336757934 176270325 /nfs/dbraw/zinc/27/03/25/176270325.db2.gz ZIEMXAUMDDANJW-OUAUKWLOSA-N 1 3 225.336 0.147 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000362763385 176272534 /nfs/dbraw/zinc/27/25/34/176272534.db2.gz RLIKKLGFQAFBPZ-WOPDTQHZSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCCN1C ZINC000362763385 176272537 /nfs/dbraw/zinc/27/25/37/176272537.db2.gz RLIKKLGFQAFBPZ-WOPDTQHZSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000341211606 176276089 /nfs/dbraw/zinc/27/60/89/176276089.db2.gz OQRQOELTDFZCQL-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CCN(C)CC1 ZINC000341211606 176276090 /nfs/dbraw/zinc/27/60/90/176276090.db2.gz OQRQOELTDFZCQL-ZYHUDNBSSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000362763382 176276318 /nfs/dbraw/zinc/27/63/18/176276318.db2.gz RLIKKLGFQAFBPZ-GRYCIOLGSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CCCN1C ZINC000362763382 176276319 /nfs/dbraw/zinc/27/63/19/176276319.db2.gz RLIKKLGFQAFBPZ-GRYCIOLGSA-N 1 3 239.363 0.395 20 0 BCADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCn1cncn1 ZINC000358081094 176278793 /nfs/dbraw/zinc/27/87/93/176278793.db2.gz KNTBZNXPSNHCEC-UTUOFQBUSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCn1cncn1 ZINC000358081094 176278795 /nfs/dbraw/zinc/27/87/95/176278795.db2.gz KNTBZNXPSNHCEC-UTUOFQBUSA-N 1 3 237.351 0.596 20 0 BCADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H]1CC[NH2+]C1 ZINC000246546504 176323265 /nfs/dbraw/zinc/32/32/65/176323265.db2.gz QRVWWBVCEYQBPX-UTUOFQBUSA-N 1 3 237.347 0.291 20 0 BCADHO C[C@@H]1CSC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000309457669 176355588 /nfs/dbraw/zinc/35/55/88/176355588.db2.gz NZNWMGZEQSUTRU-IJLUTSLNSA-N 1 3 244.404 0.784 20 0 BCADHO C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1C[NH3+] ZINC000331470080 176363461 /nfs/dbraw/zinc/36/34/61/176363461.db2.gz VYYFGUJGVNTYOS-NZFPMDFQSA-N 1 3 225.336 0.165 20 0 BCADHO CN1CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000234310182 487633870 /nfs/dbraw/zinc/63/38/70/487633870.db2.gz MMXSPJATNGRLJD-GFCCVEGCSA-N 1 3 211.353 0.812 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000353461094 176458733 /nfs/dbraw/zinc/45/87/33/176458733.db2.gz ADSLTUHQEINCHR-ACZMJKKPSA-N 1 3 239.241 0.133 20 0 BCADHO C[C@@]1(C(=O)NCCN2CCCCC2)CC[NH2+]C1 ZINC000062901877 176525344 /nfs/dbraw/zinc/52/53/44/176525344.db2.gz FFWBILCNZOEDRO-CYBMUJFWSA-N 1 3 239.363 0.588 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000309787001 176757662 /nfs/dbraw/zinc/75/76/62/176757662.db2.gz OIYXQJZKXPUITQ-LPEHRKFASA-N 1 3 213.325 0.323 20 0 BCADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CN ZINC000237496762 177074686 /nfs/dbraw/zinc/07/46/86/177074686.db2.gz GNHRANFWBIRYRK-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CN ZINC000237496762 177074688 /nfs/dbraw/zinc/07/46/88/177074688.db2.gz GNHRANFWBIRYRK-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670648 177127796 /nfs/dbraw/zinc/12/77/96/177127796.db2.gz UFAYGOWCKXXSTQ-GMXVVIOVSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]1CC[N@H+](CCN2CCNCC2)[C@H]1C ZINC000335653177 177159705 /nfs/dbraw/zinc/15/97/05/177159705.db2.gz WCIRDCCNTNBJFF-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1CC[N@@H+](CCN2CCNCC2)[C@H]1C ZINC000335653177 177159707 /nfs/dbraw/zinc/15/97/07/177159707.db2.gz WCIRDCCNTNBJFF-RYUDHWBXSA-N 1 3 211.353 0.622 20 0 BCADHO C[C@H]1CCN(CCc2cnn(C)c2)C[C@@H]1C[NH3+] ZINC000230775664 177161867 /nfs/dbraw/zinc/16/18/67/177161867.db2.gz HUYRFCGXIDPIQF-AAEUAGOBSA-N 1 3 236.363 0.879 20 0 BCADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1CCN(C)CC1 ZINC000186847701 177174857 /nfs/dbraw/zinc/17/48/57/177174857.db2.gz FSHQGAKNPAZWMR-JQWIXIFHSA-N 1 3 239.363 0.442 20 0 BCADHO C[C@H]1CN(C(=O)C2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000083354159 177214268 /nfs/dbraw/zinc/21/42/68/177214268.db2.gz TWCLZGCIMOJPOS-UWVGGRQHSA-N 1 3 225.336 0.195 20 0 BCADHO C[C@H]1CN(C(=O)NCCN(C)C2CC2)C[C@H]1[NH3+] ZINC000331438160 177220594 /nfs/dbraw/zinc/22/05/94/177220594.db2.gz GXIUZIMBLAXANQ-GXSJLCMTSA-N 1 3 240.351 0.069 20 0 BCADHO C[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)CN1 ZINC000333668324 177220690 /nfs/dbraw/zinc/22/06/90/177220690.db2.gz MRBATDPEVOPWOL-GARJFASQSA-N 1 3 240.351 0.130 20 0 BCADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000094459698 177280182 /nfs/dbraw/zinc/28/01/82/177280182.db2.gz SSHLECNLALBECW-TUAOUCFPSA-N 1 3 237.347 0.434 20 0 BCADHO C[C@H]1C[C@@H](C(=O)NCCN2CCCC2)CC[NH2+]1 ZINC000235689636 177308391 /nfs/dbraw/zinc/30/83/91/177308391.db2.gz AHABYOOPBBPHMU-RYUDHWBXSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346181844 177308433 /nfs/dbraw/zinc/30/84/33/177308433.db2.gz BVNMDPATBBTYAA-WOPDTQHZSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H](CN(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346181844 177308434 /nfs/dbraw/zinc/30/84/34/177308434.db2.gz BVNMDPATBBTYAA-WOPDTQHZSA-N 1 3 241.379 0.783 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH3+])CN1C1CC1 ZINC000237539643 177328726 /nfs/dbraw/zinc/32/87/26/177328726.db2.gz DHBLBGZYCREHLC-DTWKUNHWSA-N 1 3 225.336 0.465 20 0 BCADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)CN1C1CC1 ZINC000237533229 177329736 /nfs/dbraw/zinc/32/97/36/177329736.db2.gz FKNVQCUKBXYISZ-HBNTYKKESA-N 1 3 237.347 0.337 20 0 BCADHO C[C@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000357240657 177329838 /nfs/dbraw/zinc/32/98/38/177329838.db2.gz JTDHONXKKJOJJS-KXUCPTDWSA-N 1 3 225.336 0.323 20 0 BCADHO C[C@H]1C[C@H](C[NH3+])CN1Cc1ccc(C(N)=O)cc1 ZINC000131744779 177361623 /nfs/dbraw/zinc/36/16/23/177361623.db2.gz YEHVNTFGBDBODS-CMPLNLGQSA-N 1 3 247.342 0.955 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CC2)CC[N@@H+]1C ZINC000132918166 177367064 /nfs/dbraw/zinc/36/70/64/177367064.db2.gz TYCFHPUPRDKBDP-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]1C[C@H](NC(=O)C2(N)CC2)CC[N@H+]1C ZINC000132918166 177367066 /nfs/dbraw/zinc/36/70/66/177367066.db2.gz TYCFHPUPRDKBDP-DTWKUNHWSA-N 1 3 211.309 0.077 20 0 BCADHO C[C@H]1C[C@H](NC(=O)N(C)CC[NH3+])CN1C1CC1 ZINC000331747659 177367204 /nfs/dbraw/zinc/36/72/04/177367204.db2.gz DVTVZQKHCJHVFT-UWVGGRQHSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@]1(C(=O)NCCN2CCCCC2)CC[NH2+]C1 ZINC000062901875 177455093 /nfs/dbraw/zinc/45/50/93/177455093.db2.gz FFWBILCNZOEDRO-ZDUSSCGKSA-N 1 3 239.363 0.588 20 0 BCADHO CN(C[C@H]1CCCN1C)C(=O)/C=C\C[NH+](C)C ZINC000493172125 226145152 /nfs/dbraw/zinc/14/51/52/226145152.db2.gz PGNQEPCXNJJDIQ-XYLWRLHESA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000493172125 226145156 /nfs/dbraw/zinc/14/51/56/226145156.db2.gz PGNQEPCXNJJDIQ-XYLWRLHESA-N 1 3 239.363 0.657 20 0 BCADHO CN(C)C/C=C\C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000493172125 226145158 /nfs/dbraw/zinc/14/51/58/226145158.db2.gz PGNQEPCXNJJDIQ-XYLWRLHESA-N 1 3 239.363 0.657 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCCC[C@@H]1C ZINC000493897159 226258784 /nfs/dbraw/zinc/25/87/84/226258784.db2.gz LZGLAXVLZSQYIF-SRVKXCTJSA-N 1 3 241.379 0.960 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000493900429 226258893 /nfs/dbraw/zinc/25/88/93/226258893.db2.gz LYTXZHCGHVXMCU-FYLLDIAZSA-N 1 3 239.363 0.569 20 0 BCADHO C[C@H](NC[C@@H]1CCCN1C)[C@@H]1CCC[NH2+]1 ZINC000400483735 226344584 /nfs/dbraw/zinc/34/45/84/226344584.db2.gz CSTRFOWYWHOWTK-SRVKXCTJSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H](NC[C@H]1CCCN1C)[C@H]1CCC[NH2+]1 ZINC000400483728 226344727 /nfs/dbraw/zinc/34/47/27/226344727.db2.gz CSTRFOWYWHOWTK-QJPTWQEYSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H](NC[C@@H]1CCCN1C)[C@H]1CCC[NH2+]1 ZINC000400483732 226344788 /nfs/dbraw/zinc/34/47/88/226344788.db2.gz CSTRFOWYWHOWTK-SDDRHHMPSA-N 1 3 211.353 0.811 20 0 BCADHO C[C@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCN2C)C1 ZINC000226084629 487655922 /nfs/dbraw/zinc/65/59/22/487655922.db2.gz DWKWFORBWOYJLU-SRVKXCTJSA-N 1 3 239.363 0.585 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@H+](C)CC)C[C@H]1C ZINC000383659661 487658690 /nfs/dbraw/zinc/65/86/90/487658690.db2.gz LGCKMWIHJLINDI-OLZOCXBDSA-N 1 3 243.395 0.325 20 0 BCADHO CCN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000383659661 487658696 /nfs/dbraw/zinc/65/86/96/487658696.db2.gz LGCKMWIHJLINDI-OLZOCXBDSA-N 1 3 243.395 0.325 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662593997 487663556 /nfs/dbraw/zinc/66/35/56/487663556.db2.gz QJRIWXTZCYNMNQ-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO CN[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662593997 487663562 /nfs/dbraw/zinc/66/35/62/487663562.db2.gz QJRIWXTZCYNMNQ-QWRGUYRKSA-N 1 3 241.379 0.831 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595260 487665831 /nfs/dbraw/zinc/66/58/31/487665831.db2.gz ZFTHYVAMAPJXOR-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595260 487665837 /nfs/dbraw/zinc/66/58/37/487665837.db2.gz ZFTHYVAMAPJXOR-WDEREUQCSA-N 1 3 241.379 0.960 20 0 BCADHO CNCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662596148 487665875 /nfs/dbraw/zinc/66/58/75/487665875.db2.gz YYDGSMZKDZHVNQ-GFCCVEGCSA-N 1 3 239.363 0.444 20 0 BCADHO CC(C)[N@H+](C)C[C@H](O)CNC(C)(C)C(C)(C)O ZINC000383732788 487669099 /nfs/dbraw/zinc/66/90/99/487669099.db2.gz HGOUQXSECQHFLA-LLVKDONJSA-N 1 3 246.395 0.827 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](O)CNC(C)(C)C(C)(C)O ZINC000383732788 487669101 /nfs/dbraw/zinc/66/91/01/487669101.db2.gz HGOUQXSECQHFLA-LLVKDONJSA-N 1 3 246.395 0.827 20 0 BCADHO OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCNC2)C1 ZINC000308830549 229251010 /nfs/dbraw/zinc/25/10/10/229251010.db2.gz UDEWBRRONOLBAI-QJPTWQEYSA-N 1 3 212.337 0.737 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775312 487672532 /nfs/dbraw/zinc/67/25/32/487672532.db2.gz OBEKIJRDXMKUDI-AVGNSLFASA-N 1 3 244.379 0.390 20 0 BCADHO CC(C)N(C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000383775312 487672538 /nfs/dbraw/zinc/67/25/38/487672538.db2.gz OBEKIJRDXMKUDI-AVGNSLFASA-N 1 3 244.379 0.390 20 0 BCADHO O[C@@H](CNC[C@@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668890 487677200 /nfs/dbraw/zinc/67/72/00/487677200.db2.gz XGPHQUFGAHYQST-RYUDHWBXSA-N 1 3 244.404 0.928 20 0 BCADHO O[C@H](CNC[C@H]1CCCS1)C[NH+]1CCCC1 ZINC000087668891 487677292 /nfs/dbraw/zinc/67/72/92/487677292.db2.gz XGPHQUFGAHYQST-VXGBXAGGSA-N 1 3 244.404 0.928 20 0 BCADHO CC[NH2+]CCNC(=O)[C@@H](N)CC(C)C ZINC000151328564 487695724 /nfs/dbraw/zinc/69/57/24/487695724.db2.gz CXHYQWXNDGVJRL-VIFPVBQESA-N 1 3 201.314 0.086 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000669403072 487705652 /nfs/dbraw/zinc/70/56/52/487705652.db2.gz HPMRYAWBMJUJGO-MNOVXSKESA-N 1 3 242.367 0.378 20 0 BCADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000669403309 487706831 /nfs/dbraw/zinc/70/68/31/487706831.db2.gz UPOFZCNKTCEBGZ-AXFHLTTASA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(NC2CC2)CCC1 ZINC000662824993 487722976 /nfs/dbraw/zinc/72/29/76/487722976.db2.gz XLKBFRNUQSQUNK-ZJUUUORDSA-N 1 3 239.363 0.903 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C1(NC2CC2)CCC1 ZINC000662824992 487722792 /nfs/dbraw/zinc/72/27/92/487722792.db2.gz XLKBFRNUQSQUNK-VHSXEESVSA-N 1 3 239.363 0.903 20 0 BCADHO COCC(C)(C)C[NH2+]CCOCCN(C)C ZINC000309949133 487731139 /nfs/dbraw/zinc/73/11/39/487731139.db2.gz FJKWDHUSUKTOLQ-UHFFFAOYSA-N 1 3 232.368 0.827 20 0 BCADHO C[C@@H](CNC(=O)CC1([NH3+])CCC1)N(C)C1CC1 ZINC000226399550 487734962 /nfs/dbraw/zinc/73/49/62/487734962.db2.gz ZHBITDNEGQYLFR-JTQLQIEISA-N 1 3 239.363 0.857 20 0 BCADHO CN1CCC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250581049 487735329 /nfs/dbraw/zinc/73/53/29/487735329.db2.gz FZSMXPNFUIHNHQ-MNOVXSKESA-N 1 3 225.336 0.196 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000250667787 487738476 /nfs/dbraw/zinc/73/84/76/487738476.db2.gz SMTAXUYYPZLQFP-ZMLRMANQSA-N 1 3 237.347 0.467 20 0 BCADHO CC(=O)NCC1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000226437087 487745583 /nfs/dbraw/zinc/74/55/83/487745583.db2.gz KGXCWWPMQORPAS-CYBMUJFWSA-N 1 3 239.363 0.444 20 0 BCADHO OCCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000226438343 487746985 /nfs/dbraw/zinc/74/69/85/487746985.db2.gz VMPRFNNERROOSI-LLVKDONJSA-N 1 3 212.337 0.833 20 0 BCADHO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)N1CCCCCC1 ZINC000662965753 487774755 /nfs/dbraw/zinc/77/47/55/487774755.db2.gz NEPRDUFPRDXPLS-NEPJUHHUSA-N 1 3 241.379 0.975 20 0 BCADHO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)N1CCCCCC1 ZINC000662965754 487774768 /nfs/dbraw/zinc/77/47/68/487774768.db2.gz NEPRDUFPRDXPLS-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO CC(=O)NCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000394821973 487809264 /nfs/dbraw/zinc/80/92/64/487809264.db2.gz UOLDORFCXIABNG-GHMZBOCLSA-N 1 3 213.325 0.372 20 0 BCADHO C[C@H]1C[C@H](NC[C@@H]2CCC(=O)N2)CC[N@@H+]1C ZINC000156106517 487814824 /nfs/dbraw/zinc/81/48/24/487814824.db2.gz ZHYBRKKYFWNATC-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO C[C@H]1C[C@H](NC[C@@H]2CCC(=O)N2)CC[N@H+]1C ZINC000156106517 487814827 /nfs/dbraw/zinc/81/48/27/487814827.db2.gz ZHYBRKKYFWNATC-AXFHLTTASA-N 1 3 225.336 0.337 20 0 BCADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000647708421 487829408 /nfs/dbraw/zinc/82/94/08/487829408.db2.gz LKUNPAMZLFFILK-HTQZYQBOSA-N 1 3 235.278 0.309 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089747555 487851838 /nfs/dbraw/zinc/85/18/38/487851838.db2.gz VHIRDNWHPIRYBV-LBPRGKRZSA-N 1 3 241.379 0.786 20 0 BCADHO COC[C@H](CN1CC[C@@H]([NH3+])[C@@H](C)C1)OC ZINC000234703188 487861664 /nfs/dbraw/zinc/86/16/64/487861664.db2.gz PHBZDRPOYORTHL-GARJFASQSA-N 1 3 216.325 0.317 20 0 BCADHO Cc1ccc(CNC(CN)C[NH3+])c(Cl)n1 ZINC000923359222 644374378 /nfs/dbraw/zinc/37/43/78/644374378.db2.gz OCMQFXBKJYPIFR-UHFFFAOYSA-N 1 3 228.727 0.419 20 0 BCADHO CCN1CC[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000111825751 487892103 /nfs/dbraw/zinc/89/21/03/487892103.db2.gz OPKNAKVJRNXKJA-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@@H+]1CC[C@@H](CN[C@@H]2CCCNC(=O)C2)C1 ZINC000111825751 487892106 /nfs/dbraw/zinc/89/21/06/487892106.db2.gz OPKNAKVJRNXKJA-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CC[N@H+]1CC[C@@H](CN[C@@H]2CCCNC(=O)C2)C1 ZINC000111825751 487892110 /nfs/dbraw/zinc/89/21/10/487892110.db2.gz OPKNAKVJRNXKJA-NWDGAFQWSA-N 1 3 239.363 0.587 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)NCCN(C)C)C1 ZINC000666925527 487906559 /nfs/dbraw/zinc/90/65/59/487906559.db2.gz ZLIKETTTZUXOOI-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)NCCN(C)C)C1 ZINC000666925527 487906562 /nfs/dbraw/zinc/90/65/62/487906562.db2.gz ZLIKETTTZUXOOI-NSHDSACASA-N 1 3 242.367 0.332 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)NCCN(C)C)C1 ZINC000666925526 487906260 /nfs/dbraw/zinc/90/62/60/487906260.db2.gz ZLIKETTTZUXOOI-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)NCCN(C)C)C1 ZINC000666925526 487906265 /nfs/dbraw/zinc/90/62/65/487906265.db2.gz ZLIKETTTZUXOOI-LLVKDONJSA-N 1 3 242.367 0.332 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000226746692 487906388 /nfs/dbraw/zinc/90/63/88/487906388.db2.gz JJASWJRYSCMDFX-UTUOFQBUSA-N 1 3 239.363 0.714 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000157782391 487921124 /nfs/dbraw/zinc/92/11/24/487921124.db2.gz SODDOZGTULRSPL-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157782391 487921132 /nfs/dbraw/zinc/92/11/32/487921132.db2.gz SODDOZGTULRSPL-GARJFASQSA-N 1 3 225.336 0.337 20 0 BCADHO FC1(F)C[C@@]12CCN(CCN1CC[NH2+]CC1)C2 ZINC000652364512 487934037 /nfs/dbraw/zinc/93/40/37/487934037.db2.gz WGLILBUMTNGNQK-LLVKDONJSA-N 1 3 245.317 0.623 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659556369 487939358 /nfs/dbraw/zinc/93/93/58/487939358.db2.gz RWHALNAKXNFBFC-ZYUZMQFOSA-N 1 3 246.330 0.193 20 0 BCADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000188754371 487949811 /nfs/dbraw/zinc/94/98/11/487949811.db2.gz UHEPEMQBTGNLRQ-GARJFASQSA-N 1 3 243.326 0.239 20 0 BCADHO CC[C@@](C)(CN)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000569361475 322964315 /nfs/dbraw/zinc/96/43/15/322964315.db2.gz BRWWWUSJBMJUFM-KWQFWETISA-N 1 3 226.324 0.846 20 0 BCADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2)CC[NH2+]1 ZINC000566253064 322980048 /nfs/dbraw/zinc/98/00/48/322980048.db2.gz YGLIDZXBQLIJKX-MXWKQRLJSA-N 1 3 225.336 0.385 20 0 BCADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449606285 323000707 /nfs/dbraw/zinc/00/07/07/323000707.db2.gz YEIRQCOGTXOHRF-RKDXNWHRSA-N 1 3 201.314 0.180 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC000562808899 323031059 /nfs/dbraw/zinc/03/10/59/323031059.db2.gz WLNBWYRPWKKGAL-NXEZZACHSA-N 1 3 225.336 0.195 20 0 BCADHO CCN(C)C(=O)CCN1CCC[C@@H](C[NH3+])C1 ZINC000569723954 323038746 /nfs/dbraw/zinc/03/87/46/323038746.db2.gz PVTPEJQYBHBZJI-NSHDSACASA-N 1 3 227.352 0.526 20 0 BCADHO CCN(C)C(=O)CCN1CCC[C@H](C[NH3+])C1 ZINC000569723953 323038804 /nfs/dbraw/zinc/03/88/04/323038804.db2.gz PVTPEJQYBHBZJI-LLVKDONJSA-N 1 3 227.352 0.526 20 0 BCADHO CC[C@@H](N)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000572603517 323039654 /nfs/dbraw/zinc/03/96/54/323039654.db2.gz IFPXEUXCMDAXNC-GXSJLCMTSA-N 1 3 248.330 0.573 20 0 BCADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000570165795 323051643 /nfs/dbraw/zinc/05/16/43/323051643.db2.gz CVBOTGPIEDJAPQ-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](N)C2CCC2)C1 ZINC000570165795 323051644 /nfs/dbraw/zinc/05/16/44/323051644.db2.gz CVBOTGPIEDJAPQ-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](CN)c1ccccc1 ZINC000570334710 323056267 /nfs/dbraw/zinc/05/62/67/323056267.db2.gz WROYSJMTZCYKNE-LOWVWBTDSA-N 1 3 249.358 0.971 20 0 BCADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](CN)c1ccccc1 ZINC000570334707 323056363 /nfs/dbraw/zinc/05/63/63/323056363.db2.gz WROYSJMTZCYKNE-GMXVVIOVSA-N 1 3 249.358 0.971 20 0 BCADHO O=C(CNC1CC1)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000570398221 323058433 /nfs/dbraw/zinc/05/84/33/323058433.db2.gz TVSWOWVLBIWXMX-NSHDSACASA-N 1 3 223.320 0.091 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570448565 323059815 /nfs/dbraw/zinc/05/98/15/323059815.db2.gz JSLZGHUBMYTUJT-AXFHLTTASA-N 1 3 237.347 0.195 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570448566 323059831 /nfs/dbraw/zinc/05/98/31/323059831.db2.gz JSLZGHUBMYTUJT-DCAQKATOSA-N 1 3 237.347 0.195 20 0 BCADHO C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CC[C@H]1[NH3+] ZINC000570568758 323063381 /nfs/dbraw/zinc/06/33/81/323063381.db2.gz ILHAJMJLZRFUDA-QYNIQEEDSA-N 1 3 239.241 0.072 20 0 BCADHO CCC[C@H](N)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000570802377 323070894 /nfs/dbraw/zinc/07/08/94/323070894.db2.gz MORBEUAQNNISCE-VWYCJHECSA-N 1 3 243.351 0.079 20 0 BCADHO C[C@@H](C[NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000563100450 323092444 /nfs/dbraw/zinc/09/24/44/323092444.db2.gz RVEKXLZPFMYDOY-ONGXEEELSA-N 1 3 221.304 0.397 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H](N)c1ccccc1 ZINC000563100448 323092472 /nfs/dbraw/zinc/09/24/72/323092472.db2.gz RVEKXLZPFMYDOY-KOLCDFICSA-N 1 3 221.304 0.397 20 0 BCADHO CCC[C@@](C)(N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000563100185 323092479 /nfs/dbraw/zinc/09/24/79/323092479.db2.gz UDITVOMDGMPZGL-CMPLNLGQSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000563200964 323101476 /nfs/dbraw/zinc/10/14/76/323101476.db2.gz CTLQCRFRBCRIJB-UTUOFQBUSA-N 1 3 239.363 0.680 20 0 BCADHO CC[C@H](NC[C@H](O)C[N@H+](C)CC)[C@H]1CCCO1 ZINC000571058035 323106158 /nfs/dbraw/zinc/10/61/58/323106158.db2.gz KPGKRGGBUKXLOR-RWMBFGLXSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@H](NC[C@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000571058035 323106159 /nfs/dbraw/zinc/10/61/59/323106159.db2.gz KPGKRGGBUKXLOR-RWMBFGLXSA-N 1 3 244.379 0.846 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC[NH3+])CC1 ZINC000563339331 323119074 /nfs/dbraw/zinc/11/90/74/323119074.db2.gz RAKBZCVKFWUAHE-PWSUYJOCSA-N 1 3 241.379 0.947 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000563414300 323123408 /nfs/dbraw/zinc/12/34/08/323123408.db2.gz PIVUKKHBGICXPN-VHSXEESVSA-N 1 3 213.325 0.052 20 0 BCADHO CCS(=O)(=O)CCCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000563424348 323124131 /nfs/dbraw/zinc/12/41/31/323124131.db2.gz LRGMJKBGQHEWBL-GHMZBOCLSA-N 1 3 248.392 0.671 20 0 BCADHO CCS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000563424348 323124132 /nfs/dbraw/zinc/12/41/32/323124132.db2.gz LRGMJKBGQHEWBL-GHMZBOCLSA-N 1 3 248.392 0.671 20 0 BCADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CNCCC2(F)F)C1 ZINC000563422846 323124245 /nfs/dbraw/zinc/12/42/45/323124245.db2.gz CRZUETNFEMIRQR-OPRDCNLKSA-N 1 3 233.306 0.843 20 0 BCADHO CC[C@H](O)C[NH2+][C@@H](CO)CCN(CC)CC ZINC000563537285 323129029 /nfs/dbraw/zinc/12/90/29/323129029.db2.gz SLCHILHRIULXEE-NEPJUHHUSA-N 1 3 232.368 0.440 20 0 BCADHO [NH3+]CC[C@@H]1CCCCN1C(=O)CNC1CC1 ZINC000563588272 323130722 /nfs/dbraw/zinc/13/07/22/323130722.db2.gz XKFLRDYXRBDOAP-NSHDSACASA-N 1 3 225.336 0.468 20 0 BCADHO [NH3+]CC[C@H]1CCCCN1C(=O)CNC1CC1 ZINC000563588271 323130754 /nfs/dbraw/zinc/13/07/54/323130754.db2.gz XKFLRDYXRBDOAP-LLVKDONJSA-N 1 3 225.336 0.468 20 0 BCADHO CC[N@H+](C)C[C@@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000310505132 323132588 /nfs/dbraw/zinc/13/25/88/323132588.db2.gz IYSIZJMIHCLDJB-FRRDWIJNSA-N 1 3 243.395 0.323 20 0 BCADHO CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000310505132 323132589 /nfs/dbraw/zinc/13/25/89/323132589.db2.gz IYSIZJMIHCLDJB-FRRDWIJNSA-N 1 3 243.395 0.323 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)CC(F)F ZINC000571165684 323137279 /nfs/dbraw/zinc/13/72/79/323137279.db2.gz HMLCDPJXFBMRHL-BQBZGAKWSA-N 1 3 237.294 0.459 20 0 BCADHO C[NH2+]C1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000571325937 323141458 /nfs/dbraw/zinc/14/14/58/323141458.db2.gz DSAMMGPGXIDXJG-NSHDSACASA-N 1 3 225.336 0.339 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000571401022 323143640 /nfs/dbraw/zinc/14/36/40/323143640.db2.gz LYEAYKJHZHAFSZ-SRVKXCTJSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000571401023 323143646 /nfs/dbraw/zinc/14/36/46/323143646.db2.gz LYEAYKJHZHAFSZ-WOPDTQHZSA-N 1 3 241.379 0.912 20 0 BCADHO C[C@@H]([NH3+])CCC(=O)NC[C@@H](C)N1CCCC1 ZINC000161070819 323145759 /nfs/dbraw/zinc/14/57/59/323145759.db2.gz CKFNOXUYXZICOX-GHMZBOCLSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)N1CCCC1 ZINC000161095710 323146299 /nfs/dbraw/zinc/14/62/99/323146299.db2.gz HHHXWCPKIHXIST-GRYCIOLGSA-N 1 3 239.363 0.585 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000571573330 323148169 /nfs/dbraw/zinc/14/81/69/323148169.db2.gz ZDAIGEMWWAWZBW-AXFHLTTASA-N 1 3 200.326 0.687 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000571573330 323148170 /nfs/dbraw/zinc/14/81/70/323148170.db2.gz ZDAIGEMWWAWZBW-AXFHLTTASA-N 1 3 200.326 0.687 20 0 BCADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)CC[NH3+] ZINC000309020764 323190174 /nfs/dbraw/zinc/19/01/74/323190174.db2.gz WUBGLXCEDPOEAA-IUCAKERBSA-N 1 3 201.314 0.213 20 0 BCADHO CC(C)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC000563897342 323205581 /nfs/dbraw/zinc/20/55/81/323205581.db2.gz VQRCPRZNNHTIRO-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC000563897342 323205582 /nfs/dbraw/zinc/20/55/82/323205582.db2.gz VQRCPRZNNHTIRO-LBPRGKRZSA-N 1 3 241.379 0.785 20 0 BCADHO CC(C)(C)[C@H](O)CNC[C@H]1CCC[NH2+]C1 ZINC000324590355 323242071 /nfs/dbraw/zinc/24/20/71/323242071.db2.gz DMLXGWLJXOTPEJ-WDEREUQCSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCNC1 ZINC000324590355 323242075 /nfs/dbraw/zinc/24/20/75/323242075.db2.gz DMLXGWLJXOTPEJ-WDEREUQCSA-N 1 3 214.353 0.983 20 0 BCADHO CC(C)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103211665 323245819 /nfs/dbraw/zinc/24/58/19/323245819.db2.gz YRJNKKIYXSFQBA-UHFFFAOYSA-N 1 3 243.395 0.984 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC1CC1 ZINC000563945652 323330190 /nfs/dbraw/zinc/33/01/90/323330190.db2.gz CBHOVTLIIUVOLS-ONGXEEELSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000309507404 323419959 /nfs/dbraw/zinc/41/99/59/323419959.db2.gz WIDALPIVAJHSKM-NXEZZACHSA-N 1 3 213.325 0.454 20 0 BCADHO C[NH+](C)CCCCNC(=O)C(C)(C)N ZINC000041679596 487958795 /nfs/dbraw/zinc/95/87/95/487958795.db2.gz RIVKJBZRYZKUNW-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CN[C@@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000572256118 323579111 /nfs/dbraw/zinc/57/91/11/323579111.db2.gz BLLAHQNOAVWIEV-IUCAKERBSA-N 1 3 201.314 0.228 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000083913248 487965470 /nfs/dbraw/zinc/96/54/70/487965470.db2.gz YOVOPUSCSUIOSH-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CNCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000083913248 487965474 /nfs/dbraw/zinc/96/54/74/487965474.db2.gz YOVOPUSCSUIOSH-LLVKDONJSA-N 1 3 239.363 0.729 20 0 BCADHO CCC[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000131912459 325190747 /nfs/dbraw/zinc/19/07/47/325190747.db2.gz KHGOLQZEOGPING-VWYCJHECSA-N 1 3 227.352 0.700 20 0 BCADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1CN(C)C ZINC000252601877 325689316 /nfs/dbraw/zinc/68/93/16/325689316.db2.gz MRPQORNIVUZYEX-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](C)N1CCCC1 ZINC000564938035 325829510 /nfs/dbraw/zinc/82/95/10/325829510.db2.gz RPEDVJYVUCKBRH-NWDGAFQWSA-N 1 3 241.379 0.975 20 0 BCADHO C[C@@H](NC1CC1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000564957802 325834451 /nfs/dbraw/zinc/83/44/51/325834451.db2.gz FJJSUBMWFSVXOL-VHSXEESVSA-N 1 3 227.352 0.761 20 0 BCADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH3+] ZINC000566213584 326014899 /nfs/dbraw/zinc/01/48/99/326014899.db2.gz XAEGRTFUCGPWSR-SNVBAGLBSA-N 1 3 213.325 0.278 20 0 BCADHO O=C(NC1CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC000566195474 326010898 /nfs/dbraw/zinc/01/08/98/326010898.db2.gz TXSCJIVNZONKMH-UHFFFAOYSA-N 1 3 245.326 0.772 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(N)CCC2)C1 ZINC000566201703 326011912 /nfs/dbraw/zinc/01/19/12/326011912.db2.gz YAWBHQBZIZJHFC-NXEZZACHSA-N 1 3 225.336 0.454 20 0 BCADHO O=C([C@H]1CCCCN1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566252114 326024775 /nfs/dbraw/zinc/02/47/75/326024775.db2.gz GQHVVPSWWVCJHG-QJPTWQEYSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)NCC(=O)NC1(C)CC[NH2+]CC1 ZINC000566507980 326060138 /nfs/dbraw/zinc/06/01/38/326060138.db2.gz PDPWWNKSFHWEHS-UHFFFAOYSA-N 1 3 213.325 0.243 20 0 BCADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000566618781 326068530 /nfs/dbraw/zinc/06/85/30/326068530.db2.gz FVRKRRDBQHRRRH-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO C[C@H](CC[NH3+])NC(=O)[C@H]1CNCc2ccccc21 ZINC000566855183 326088359 /nfs/dbraw/zinc/08/83/59/326088359.db2.gz VLJWYAOQINOVQI-MFKMUULPSA-N 1 3 247.342 0.727 20 0 BCADHO CCC([NH3+])(CC)CNC(=O)CNC1CC1 ZINC000153928537 326120881 /nfs/dbraw/zinc/12/08/81/326120881.db2.gz LCQFTVUXMWEKPO-UHFFFAOYSA-N 1 3 213.325 0.372 20 0 BCADHO NC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000567179801 326130659 /nfs/dbraw/zinc/13/06/59/326130659.db2.gz VDPFFPPPJLMKEF-ZRUFSTJUSA-N 1 3 225.336 0.500 20 0 BCADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCSC ZINC000567232857 326147328 /nfs/dbraw/zinc/14/73/28/326147328.db2.gz NFJCMXCIKRVOGI-ZJUUUORDSA-N 1 3 247.408 0.701 20 0 BCADHO O=C(Nc1cccc2c1CCNC2)[C@H]1CC[NH2+]1 ZINC000567377086 326178363 /nfs/dbraw/zinc/17/83/63/326178363.db2.gz OVLVHKHHAHNWDV-GFCCVEGCSA-N 1 3 231.299 0.633 20 0 BCADHO CSC[C@H](O)CN[C@H](C)CC[NH+](C)C ZINC000567378084 326178945 /nfs/dbraw/zinc/17/89/45/326178945.db2.gz OPDXFIPZHYGSTJ-NXEZZACHSA-N 1 3 220.382 0.640 20 0 BCADHO NC[C@@H]1c2ccccc2CCN1C(=O)CCC[NH3+] ZINC000567389161 326182252 /nfs/dbraw/zinc/18/22/52/326182252.db2.gz PWYDQGGAOBDQAM-CYBMUJFWSA-N 1 3 247.342 0.810 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000155237815 326189690 /nfs/dbraw/zinc/18/96/90/326189690.db2.gz GRJVHGSTRUIJHY-AXFHLTTASA-N 1 3 227.352 0.476 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000567469610 326198698 /nfs/dbraw/zinc/19/86/98/326198698.db2.gz PBMLGVJFVWNIMK-PWSUYJOCSA-N 1 3 227.352 0.701 20 0 BCADHO C[C@@H](C(=O)NCCN1CC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000567505066 326206430 /nfs/dbraw/zinc/20/64/30/326206430.db2.gz LFXSQZYDIZCPQQ-MXWKQRLJSA-N 1 3 227.352 0.428 20 0 BCADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCCN2)C1 ZINC000156172069 326221315 /nfs/dbraw/zinc/22/13/15/326221315.db2.gz COHZOHIZHCXMBH-IJLUTSLNSA-N 1 3 239.363 0.714 20 0 BCADHO FC(F)[C@H]1CNCCN1CC1CC[NH2+]CC1 ZINC000567613203 326228863 /nfs/dbraw/zinc/22/88/63/326228863.db2.gz RXRVGRVOEOIYST-SNVBAGLBSA-N 1 3 233.306 0.525 20 0 BCADHO C[C@H]([NH3+])CN1CCNC[C@H]1c1cccnc1 ZINC000567614050 326229501 /nfs/dbraw/zinc/22/95/01/326229501.db2.gz ZYRLVAUCUYMREA-JQWIXIFHSA-N 1 3 220.320 0.375 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)c1ccc2c(c1)CNC2 ZINC000567732575 326252756 /nfs/dbraw/zinc/25/27/56/326252756.db2.gz FGXDIPXVBQZLFI-VIFPVBQESA-N 1 3 233.315 0.757 20 0 BCADHO CN(C)CCN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000567731877 326252896 /nfs/dbraw/zinc/25/28/96/326252896.db2.gz BFDOXZHGNUGCIX-NSHDSACASA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)C1CC1 ZINC000567825158 326264697 /nfs/dbraw/zinc/26/46/97/326264697.db2.gz YYPUUXKORKBGLP-UHFFFAOYSA-N 1 3 241.379 0.927 20 0 BCADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](N)C2CCC2)C1 ZINC000567831045 326265888 /nfs/dbraw/zinc/26/58/88/326265888.db2.gz ISQQRBQZWDHNBR-MVWJERBFSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H](N)C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000567926250 326284571 /nfs/dbraw/zinc/28/45/71/326284571.db2.gz DRHOVVLZKQJHAN-KYXWUPHJSA-N 1 3 213.325 0.165 20 0 BCADHO CC[C@H](C)CN(C)C[C@](C)(O)C[NH2+]C ZINC000568050903 326300212 /nfs/dbraw/zinc/30/02/12/326300212.db2.gz MQIQICZAOQIRCG-WDEREUQCSA-N 1 3 202.342 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000568050859 326300796 /nfs/dbraw/zinc/30/07/96/326300796.db2.gz JTCFBRMOEVCEHP-VXGBXAGGSA-N 1 3 214.353 0.935 20 0 BCADHO CNC[C@@](C)(O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000568050859 326300798 /nfs/dbraw/zinc/30/07/98/326300798.db2.gz JTCFBRMOEVCEHP-VXGBXAGGSA-N 1 3 214.353 0.935 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)N(C)C ZINC000158276279 326314690 /nfs/dbraw/zinc/31/46/90/326314690.db2.gz FVUQJBHQWRSMFF-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)N(C)C ZINC000158276279 326314692 /nfs/dbraw/zinc/31/46/92/326314692.db2.gz FVUQJBHQWRSMFF-RYUDHWBXSA-N 1 3 241.379 0.785 20 0 BCADHO C[C@@H]1CN[C@@H](C)CN1C(=O)CC[NH2+]C1CC1 ZINC000568230980 326329011 /nfs/dbraw/zinc/32/90/11/326329011.db2.gz IZBRUTSXNSYZBK-VHSXEESVSA-N 1 3 225.336 0.337 20 0 BCADHO CN[C@@H](C)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568231573 326330541 /nfs/dbraw/zinc/33/05/41/326330541.db2.gz XMTOWQUBSFMTOK-JQWIXIFHSA-N 1 3 225.336 0.196 20 0 BCADHO CCOC[C@H](O)C[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000568621816 326368028 /nfs/dbraw/zinc/36/80/28/326368028.db2.gz LBSIISGNQQVREC-DGCLKSJQSA-N 1 3 242.363 0.624 20 0 BCADHO C[C@H](O)CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000235563331 487980600 /nfs/dbraw/zinc/98/06/00/487980600.db2.gz LOSDDKYUQRBPMB-QWRGUYRKSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](O)C[N@H+](C[C@H]1CCCNC1)C1CC1 ZINC000235563331 487980608 /nfs/dbraw/zinc/98/06/08/487980608.db2.gz LOSDDKYUQRBPMB-QWRGUYRKSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](O)C[N@@H+](C[C@H]1CCCNC1)C1CC1 ZINC000235563331 487980613 /nfs/dbraw/zinc/98/06/13/487980613.db2.gz LOSDDKYUQRBPMB-QWRGUYRKSA-N 1 3 212.337 0.831 20 0 BCADHO Cc1cc(NC(=O)CCN(C)CCC[NH3+])no1 ZINC000123301954 487983247 /nfs/dbraw/zinc/98/32/47/487983247.db2.gz GNOLBJLNFFXXNJ-UHFFFAOYSA-N 1 3 240.307 0.592 20 0 BCADHO C[C@@H](CO)C[N@H+](C)CCCN(C)CCN(C)C ZINC000677221224 488002580 /nfs/dbraw/zinc/00/25/80/488002580.db2.gz DMKMGOLAUFXACX-CYBMUJFWSA-N 1 3 245.411 0.430 20 0 BCADHO C[C@@H](CO)C[N@@H+](C)CCCN(C)CCN(C)C ZINC000677221224 488002585 /nfs/dbraw/zinc/00/25/85/488002585.db2.gz DMKMGOLAUFXACX-CYBMUJFWSA-N 1 3 245.411 0.430 20 0 BCADHO CC[NH+](CC)CCCN[C@@H]1CCCNC(=O)C1 ZINC000111825264 488012627 /nfs/dbraw/zinc/01/26/27/488012627.db2.gz VXUJEPCUSHSTQM-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CCN(CC)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111825264 488012629 /nfs/dbraw/zinc/01/26/29/488012629.db2.gz VXUJEPCUSHSTQM-GFCCVEGCSA-N 1 3 241.379 0.977 20 0 BCADHO CC(C)C[C@H](N)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185025949 488014335 /nfs/dbraw/zinc/01/43/35/488014335.db2.gz PDUURGHFJVLASK-USZNOCQGSA-N 1 3 239.363 0.556 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197704 488033742 /nfs/dbraw/zinc/03/37/42/488033742.db2.gz RUBGLOXOLQIUQZ-UTUOFQBUSA-N 1 3 230.352 0.000 20 0 BCADHO CC(C)N(C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388197704 488033747 /nfs/dbraw/zinc/03/37/47/488033747.db2.gz RUBGLOXOLQIUQZ-UTUOFQBUSA-N 1 3 230.352 0.000 20 0 BCADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000084217006 488037577 /nfs/dbraw/zinc/03/75/77/488037577.db2.gz YBKRNRHRLUBTFB-GARJFASQSA-N 1 3 225.336 0.372 20 0 BCADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000084217006 488037580 /nfs/dbraw/zinc/03/75/80/488037580.db2.gz YBKRNRHRLUBTFB-GARJFASQSA-N 1 3 225.336 0.372 20 0 BCADHO C[C@H]1CCN(CCNC(=O)CC[NH2+]C2CC2)C1 ZINC000655449079 488037895 /nfs/dbraw/zinc/03/78/95/488037895.db2.gz JAKNUPWMKQUOGS-NSHDSACASA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H](NCCC[NH3+])c1cccc(-n2cnnn2)c1 ZINC000037713309 488038628 /nfs/dbraw/zinc/03/86/28/488038628.db2.gz ZFMQXZDPLPBODI-JTQLQIEISA-N 1 3 246.318 0.662 20 0 BCADHO C[C@]1(F)CNCCN(C[C@@]23C[C@@H]2C[NH2+]C3)C1 ZINC000663495027 488045140 /nfs/dbraw/zinc/04/51/40/488045140.db2.gz UCPZLOFRGNLPHH-WOPDTQHZSA-N 1 3 227.327 0.229 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000084382621 488048313 /nfs/dbraw/zinc/04/83/13/488048313.db2.gz FZSMXPNFUIHNHQ-WDEREUQCSA-N 1 3 225.336 0.196 20 0 BCADHO C[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000669491122 488052596 /nfs/dbraw/zinc/05/25/96/488052596.db2.gz MPZVWGPWMMMPKE-GXSJLCMTSA-N 1 3 240.351 0.117 20 0 BCADHO C[C@H](NC[C@@H](O)C[NH+](C)C)[C@H]1CCCCO1 ZINC000393883925 488054602 /nfs/dbraw/zinc/05/46/02/488054602.db2.gz RUIZYJYXOQDFPM-QJPTWQEYSA-N 1 3 230.352 0.456 20 0 BCADHO CC1(C)C[C@H](N2C[C@@H]3C[NH2+]C[C@H]3C2)CO1 ZINC000396892480 488057348 /nfs/dbraw/zinc/05/73/48/488057348.db2.gz QXSNIULZLOPVJB-DCAQKATOSA-N 1 3 210.321 0.705 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C1 ZINC000389167111 488079693 /nfs/dbraw/zinc/07/96/93/488079693.db2.gz MVAYYJVBIVHZSE-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO CCCN1CC[C@H](NC(=O)[C@H](C)C[NH2+]C)C1 ZINC000389162723 488080058 /nfs/dbraw/zinc/08/00/58/488080058.db2.gz LXJNFFNWTYJUHP-MNOVXSKESA-N 1 3 227.352 0.442 20 0 BCADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000389204110 488081578 /nfs/dbraw/zinc/08/15/78/488081578.db2.gz ZHXKBYUSMYTTFX-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H](N)C(C)C)C1 ZINC000389204110 488081585 /nfs/dbraw/zinc/08/15/85/488081585.db2.gz ZHXKBYUSMYTTFX-WDEREUQCSA-N 1 3 227.352 0.570 20 0 BCADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000389204108 488082287 /nfs/dbraw/zinc/08/22/87/488082287.db2.gz ZHXKBYUSMYTTFX-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)C1 ZINC000389204108 488082290 /nfs/dbraw/zinc/08/22/90/488082290.db2.gz ZHXKBYUSMYTTFX-MNOVXSKESA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000236927110 488098321 /nfs/dbraw/zinc/09/83/21/488098321.db2.gz DQUMDWBHQASHRT-SCZZXKLOSA-N 1 3 213.325 0.228 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000237030649 488101818 /nfs/dbraw/zinc/10/18/18/488101818.db2.gz DQUMDWBHQASHRT-WPRPVWTQSA-N 1 3 213.325 0.228 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669509434 488109908 /nfs/dbraw/zinc/10/99/08/488109908.db2.gz DWGJDRMYDMHGOS-PWSUYJOCSA-N 1 3 227.352 0.762 20 0 BCADHO C[NH2+]CCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000669510388 488112241 /nfs/dbraw/zinc/11/22/41/488112241.db2.gz XJASNFYKJBHNAH-LBPRGKRZSA-N 1 3 235.331 0.282 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000246785038 488114187 /nfs/dbraw/zinc/11/41/87/488114187.db2.gz AALHSEFIKWTECB-VXGBXAGGSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@H]1CCCN(C(=O)CNC2CC2)[C@H]1C[NH3+] ZINC000669511338 488114651 /nfs/dbraw/zinc/11/46/51/488114651.db2.gz KNUMQJSLCQIBGY-ONGXEEELSA-N 1 3 225.336 0.324 20 0 BCADHO [NH3+]C[C@H](NC(=O)CNC1CC1)C1CCCCC1 ZINC000669511115 488115201 /nfs/dbraw/zinc/11/52/01/488115201.db2.gz SQVMOYAQZIVYIX-LBPRGKRZSA-N 1 3 239.363 0.762 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000669512440 488118527 /nfs/dbraw/zinc/11/85/27/488118527.db2.gz VOBGOPYMYZEHPT-GWCFXTLKSA-N 1 3 237.347 0.196 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000669512650 488119732 /nfs/dbraw/zinc/11/97/32/488119732.db2.gz WJJIVOAGILXPIW-SNVBAGLBSA-N 1 3 229.368 0.803 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000669514689 488123777 /nfs/dbraw/zinc/12/37/77/488123777.db2.gz ZVIDQKRIHANLEJ-WOPDTQHZSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)CCN1 ZINC000669514498 488124018 /nfs/dbraw/zinc/12/40/18/488124018.db2.gz HROGHVXTRUCDPI-VXGBXAGGSA-N 1 3 239.363 0.442 20 0 BCADHO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000669514756 488124620 /nfs/dbraw/zinc/12/46/20/488124620.db2.gz FXHOPNPRUMHKNB-TUAOUCFPSA-N 1 3 241.379 0.816 20 0 BCADHO CC(C)[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]2)CCN1 ZINC000669514932 488124654 /nfs/dbraw/zinc/12/46/54/488124654.db2.gz TYKYPDJVCNANCE-VXGBXAGGSA-N 1 3 239.363 0.585 20 0 BCADHO CC(C)[C@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CCN1 ZINC000669514695 488124390 /nfs/dbraw/zinc/12/43/90/488124390.db2.gz ABZBHQDYHMLCAU-YPMHNXCESA-N 1 3 239.363 0.442 20 0 BCADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CNC1CC1 ZINC000669518627 488130180 /nfs/dbraw/zinc/13/01/80/488130180.db2.gz URTCNVXDGJFLKM-PTRXPTGYSA-N 1 3 225.336 0.241 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000250551002 487529869 /nfs/dbraw/zinc/52/98/69/487529869.db2.gz AEUVMGCPKAYJFZ-NEPJUHHUSA-N 1 3 239.363 0.444 20 0 BCADHO C[C@@H]1CCC[N@H+](CCCN)[C@H]1CCO ZINC000662302276 487546479 /nfs/dbraw/zinc/54/64/79/487546479.db2.gz LRNALSWOWCSAHE-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H]1CCC[N@@H+](CCCN)[C@H]1CCO ZINC000662302276 487546484 /nfs/dbraw/zinc/54/64/84/487546484.db2.gz LRNALSWOWCSAHE-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO C[C@@H]1CCCN(CCC[NH3+])[C@H]1CCO ZINC000662302276 487546490 /nfs/dbraw/zinc/54/64/90/487546490.db2.gz LRNALSWOWCSAHE-MNOVXSKESA-N 1 3 200.326 0.818 20 0 BCADHO CCN1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000391496146 487481806 /nfs/dbraw/zinc/48/18/06/487481806.db2.gz GXOXIUAVCRINLE-HBNTYKKESA-N 1 3 225.336 0.467 20 0 BCADHO C[C@@H](CNC(=O)c1ccccc1CC[NH3+])N(C)C ZINC000070541955 487482218 /nfs/dbraw/zinc/48/22/18/487482218.db2.gz JRXLPPJDELJTSR-NSHDSACASA-N 1 3 249.358 0.868 20 0 BCADHO C[C@@H](O)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000227713477 487483399 /nfs/dbraw/zinc/48/33/99/487483399.db2.gz CGFQYXCOARNPQD-VXGBXAGGSA-N 1 3 230.352 0.194 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000381361405 487505029 /nfs/dbraw/zinc/50/50/29/487505029.db2.gz FBJBAKHHXZUXHO-VHSXEESVSA-N 1 3 213.325 0.180 20 0 BCADHO CCCN(CCN(C)C)C(=O)C[C@H](C[NH3+])OC ZINC000232119492 487514751 /nfs/dbraw/zinc/51/47/51/487514751.db2.gz PHBQERNQYDSYGG-LLVKDONJSA-N 1 3 245.367 0.150 20 0 BCADHO C[C@@H]([NH3+])CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000669318241 487520459 /nfs/dbraw/zinc/52/04/59/487520459.db2.gz KLTDLBRHNICBOZ-GHMZBOCLSA-N 1 3 242.367 0.507 20 0 BCADHO NC(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C(F)(F)F ZINC000353425860 487704414 /nfs/dbraw/zinc/70/44/14/487704414.db2.gz IAOBQRGMFOUICF-FSDSQADBSA-N 1 3 239.241 0.262 20 0 BCADHO Nc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000647546826 487965649 /nfs/dbraw/zinc/96/56/49/487965649.db2.gz CXSDAZBYTJZARQ-WDEREUQCSA-N 1 3 220.320 1.023 20 0 BCADHO C[C@H](O)CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000235563263 487980779 /nfs/dbraw/zinc/98/07/79/487980779.db2.gz LOSDDKYUQRBPMB-WDEREUQCSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](O)C[N@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000235563263 487980782 /nfs/dbraw/zinc/98/07/82/487980782.db2.gz LOSDDKYUQRBPMB-WDEREUQCSA-N 1 3 212.337 0.831 20 0 BCADHO C[C@H](O)C[N@@H+](C[C@@H]1CCCNC1)C1CC1 ZINC000235563263 487980787 /nfs/dbraw/zinc/98/07/87/487980787.db2.gz LOSDDKYUQRBPMB-WDEREUQCSA-N 1 3 212.337 0.831 20 0 BCADHO CC[C@@H]([NH3+])CNC(=O)C1(N)Cc2ccccc2C1 ZINC000669520215 488138879 /nfs/dbraw/zinc/13/88/79/488138879.db2.gz AUQAXONOMOSCND-GFCCVEGCSA-N 1 3 247.342 0.336 20 0 BCADHO CC(C)([NH3+])CC(=O)N1CCNC(C)(C)C1 ZINC000669521002 488149305 /nfs/dbraw/zinc/14/93/05/488149305.db2.gz VURZXUOCAYCQHA-UHFFFAOYSA-N 1 3 213.325 0.324 20 0 BCADHO Cn1nccc1CC[N@H+](C)CC(C)(C)CN ZINC000230775246 488157091 /nfs/dbraw/zinc/15/70/91/488157091.db2.gz OWVKDGJMVXFGIO-UHFFFAOYSA-N 1 3 224.352 0.879 20 0 BCADHO Cn1nccc1CC[N@@H+](C)CC(C)(C)CN ZINC000230775246 488157096 /nfs/dbraw/zinc/15/70/96/488157096.db2.gz OWVKDGJMVXFGIO-UHFFFAOYSA-N 1 3 224.352 0.879 20 0 BCADHO C[C@@H]1[C@H](C)NCCN1C(=O)CC(C)(C)[NH3+] ZINC000390526922 488164722 /nfs/dbraw/zinc/16/47/22/488164722.db2.gz HBWBYLQRMGPDCH-DTWKUNHWSA-N 1 3 213.325 0.323 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC(C)(C)[NH3+])[C@H]1C ZINC000390526928 488164730 /nfs/dbraw/zinc/16/47/30/488164730.db2.gz HBWBYLQRMGPDCH-IUCAKERBSA-N 1 3 213.325 0.323 20 0 BCADHO CCCN1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000389152499 488165632 /nfs/dbraw/zinc/16/56/32/488165632.db2.gz JVXYCAJWLHMYCT-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000380131295 488174623 /nfs/dbraw/zinc/17/46/23/488174623.db2.gz SWAQBDIGVOVWFR-SCZZXKLOSA-N 1 3 201.314 0.213 20 0 BCADHO CN1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC000380124607 488175693 /nfs/dbraw/zinc/17/56/93/488175693.db2.gz VHJKRDJWJAFRRL-IVZWLZJFSA-N 1 3 211.309 0.077 20 0 BCADHO O=C(CC[NH2+]C1CC1)NCCN1CCCC1 ZINC000037478309 488185268 /nfs/dbraw/zinc/18/52/68/488185268.db2.gz YOUFTUGEPMQMCX-UHFFFAOYSA-N 1 3 225.336 0.341 20 0 BCADHO CCN1CCC[C@@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398141963 488212229 /nfs/dbraw/zinc/21/22/29/488212229.db2.gz APQVLMMRPDSJCZ-SNVBAGLBSA-N 1 3 225.336 0.468 20 0 BCADHO CCN1CCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000398141957 488212251 /nfs/dbraw/zinc/21/22/51/488212251.db2.gz APQVLMMRPDSJCZ-JTQLQIEISA-N 1 3 225.336 0.468 20 0 BCADHO [NH3+]C1(CC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000398242573 488215643 /nfs/dbraw/zinc/21/56/43/488215643.db2.gz ZZFWGNOSXANRCR-VIFPVBQESA-N 1 3 223.320 0.221 20 0 BCADHO Cn1ncnc1CNC1CCC([NH+](C)C)CC1 ZINC000683888858 488236128 /nfs/dbraw/zinc/23/61/28/488236128.db2.gz AGGGXLFEMTVWKV-UHFFFAOYSA-N 1 3 237.351 0.778 20 0 BCADHO C[NH2+][C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662395898 490065253 /nfs/dbraw/zinc/06/52/53/490065253.db2.gz LMLVTXSKSZSVLW-NSHDSACASA-N 1 3 245.326 0.724 20 0 BCADHO C[C@H](CO)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000120980497 490072788 /nfs/dbraw/zinc/07/27/88/490072788.db2.gz FIAIDEIXKLORQM-LBPRGKRZSA-N 1 3 244.379 0.393 20 0 BCADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000126569004 490505505 /nfs/dbraw/zinc/50/55/05/490505505.db2.gz WXQLVJWZSXRWKN-ZDUSSCGKSA-N 1 3 247.342 0.840 20 0 BCADHO C[NH+](C)C/C=C/C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000491849945 491080879 /nfs/dbraw/zinc/08/08/79/491080879.db2.gz XALZESZJGYBWOV-UFFNRZRYSA-N 1 3 237.347 0.457 20 0 BCADHO [NH3+]CC1(CCNC(=O)[C@@H]2CCCCN2)CC1 ZINC000653215789 491128414 /nfs/dbraw/zinc/12/84/14/491128414.db2.gz AZFNEQUZEYIPQT-JTQLQIEISA-N 1 3 225.336 0.374 20 0 BCADHO C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)N(C)C1CC1 ZINC000130673245 491129244 /nfs/dbraw/zinc/12/92/44/491129244.db2.gz ZWSRYWUTIITEOR-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO COC(=O)N1CCC([NH2+][C@H](C)C[C@H](C)N)CC1 ZINC000496652349 533948423 /nfs/dbraw/zinc/94/84/23/533948423.db2.gz WIQNFWARBVNZPE-VHSXEESVSA-N 1 3 243.351 0.933 20 0 BCADHO C[C@@H]1NCCN(C(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000494660666 534124981 /nfs/dbraw/zinc/12/49/81/534124981.db2.gz GGZQTZVBUQHMRD-SRVKXCTJSA-N 1 3 239.363 0.727 20 0 BCADHO CC[C@@H](CNC1=[NH+]C[C@H](C)N1)N1CCCC1 ZINC000848986417 582816910 /nfs/dbraw/zinc/81/69/10/582816910.db2.gz PWOMAOGOMOZNFV-QWRGUYRKSA-N 1 3 224.352 0.798 20 0 BCADHO CNCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000335903991 536441938 /nfs/dbraw/zinc/44/19/38/536441938.db2.gz YZPZBJFDRVUAMJ-UHFFFAOYSA-N 1 3 237.278 0.629 20 0 BCADHO CCN1CC[C@@H](NC(=O)/C=C/C[NH+](C)C)C1 ZINC000493062131 527759684 /nfs/dbraw/zinc/75/96/84/527759684.db2.gz ZKWIPNPDBRIZDV-MVIFTORASA-N 1 3 225.336 0.315 20 0 BCADHO CCCN(CCN(C)C)C(=O)/C=C/C[NH+](C)C ZINC000492172050 528073759 /nfs/dbraw/zinc/07/37/59/528073759.db2.gz UIUBQVRCAAWKFB-BQYQJAHWSA-N 1 3 241.379 0.904 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000484693702 528355339 /nfs/dbraw/zinc/35/53/39/528355339.db2.gz HWMLFGWYIYLFQT-UTUOFQBUSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000484693700 528356288 /nfs/dbraw/zinc/35/62/88/528356288.db2.gz HWMLFGWYIYLFQT-TUAOUCFPSA-N 1 3 241.379 0.768 20 0 BCADHO CC(C)[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000261547714 535046807 /nfs/dbraw/zinc/04/68/07/535046807.db2.gz MQHJZGMYNYXLLS-VIFPVBQESA-N 1 3 215.341 0.413 20 0 BCADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH3+])N(C)C ZINC000262543898 535135921 /nfs/dbraw/zinc/13/59/21/535135921.db2.gz YFDFDBCMHPWVHK-UWVGGRQHSA-N 1 3 215.341 0.426 20 0 BCADHO CC1(C)CCCN[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000334967673 535296073 /nfs/dbraw/zinc/29/60/73/535296073.db2.gz PWSYFAVALNMRLC-LLVKDONJSA-N 1 3 239.363 0.633 20 0 BCADHO CC(C)C[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000335626409 535315985 /nfs/dbraw/zinc/31/59/85/535315985.db2.gz DOKJUQNLMVHZEX-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@@H](C(=O)NCC1C[NH2+]C1)N(CC)CC ZINC000261939733 535407443 /nfs/dbraw/zinc/40/74/43/535407443.db2.gz GJMKSZXXAJCFGQ-NSHDSACASA-N 1 3 227.352 0.442 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)C1(N)CCCC1 ZINC000261544275 535510995 /nfs/dbraw/zinc/51/09/95/535510995.db2.gz IUZMNPRVEFVGBK-SECBINFHSA-N 1 3 213.325 0.372 20 0 BCADHO CC[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC000262473061 535512629 /nfs/dbraw/zinc/51/26/29/535512629.db2.gz PKZMBQHIXVSCKQ-SNVBAGLBSA-N 1 3 215.341 0.441 20 0 BCADHO CCC[C@H](C(=O)NCC1([NH3+])CCC1)N(C)C ZINC000342667397 535582052 /nfs/dbraw/zinc/58/20/52/535582052.db2.gz RULSNLRORCCMFZ-SNVBAGLBSA-N 1 3 227.352 0.714 20 0 BCADHO CCC[C@](C)(N)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351759492 535759465 /nfs/dbraw/zinc/75/94/65/535759465.db2.gz CZDRLDBUXHSZLY-UMNHJUIQSA-N 1 3 227.352 0.700 20 0 BCADHO CC[N@@H+]1CC[C@H](NCCC(=O)N(C)C)[C@H](C)C1 ZINC000178293390 535768481 /nfs/dbraw/zinc/76/84/81/535768481.db2.gz XUDWYTXXJQBJFB-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC[N@H+]1CC[C@H](NCCC(=O)N(C)C)[C@H](C)C1 ZINC000178293390 535768484 /nfs/dbraw/zinc/76/84/84/535768484.db2.gz XUDWYTXXJQBJFB-NEPJUHHUSA-N 1 3 241.379 0.785 20 0 BCADHO CC[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000261539374 536138086 /nfs/dbraw/zinc/13/80/86/536138086.db2.gz CFWLOFHQSLGMMN-LPEHRKFASA-N 1 3 213.325 0.310 20 0 BCADHO CC[C@H](N)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178407634 536138821 /nfs/dbraw/zinc/13/88/21/536138821.db2.gz KTOCGPZEHXOOQX-SCZZXKLOSA-N 1 3 213.325 0.310 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)C(N)C(F)(F)F)C1 ZINC000336004718 536359506 /nfs/dbraw/zinc/35/95/06/536359506.db2.gz QHOGWFSZBGYATF-RQJHMYQMSA-N 1 3 239.241 0.086 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000394608493 582996868 /nfs/dbraw/zinc/99/68/68/582996868.db2.gz RBRVVGJTQAATFE-YNEHKIRRSA-N 1 3 242.363 0.600 20 0 BCADHO COC[C@](C)(O)CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000394608493 582996872 /nfs/dbraw/zinc/99/68/72/582996872.db2.gz RBRVVGJTQAATFE-YNEHKIRRSA-N 1 3 242.363 0.600 20 0 BCADHO CC(=O)OC[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000892947245 583015103 /nfs/dbraw/zinc/01/51/03/583015103.db2.gz ZZJKBSDDGKYXIP-JQWIXIFHSA-N 1 3 228.336 0.869 20 0 BCADHO CC(=O)OC[C@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000892947245 583015105 /nfs/dbraw/zinc/01/51/05/583015105.db2.gz ZZJKBSDDGKYXIP-JQWIXIFHSA-N 1 3 228.336 0.869 20 0 BCADHO C[C@H](N)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000857253087 583136394 /nfs/dbraw/zinc/13/63/94/583136394.db2.gz GVEMFKUUTZGUNC-JTQLQIEISA-N 1 3 228.336 0.999 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@H]1CCC[C@@H]1N ZINC000854228317 588780839 /nfs/dbraw/zinc/78/08/39/588780839.db2.gz VANJCNZEEVNBBV-IUCAKERBSA-N 1 3 215.297 0.154 20 0 BCADHO C/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346362 588828497 /nfs/dbraw/zinc/82/84/97/588828497.db2.gz YMBGPCASLKNAFQ-WMADIVHISA-N 1 3 241.379 0.951 20 0 BCADHO C/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346362 588828498 /nfs/dbraw/zinc/82/84/98/588828498.db2.gz YMBGPCASLKNAFQ-WMADIVHISA-N 1 3 241.379 0.951 20 0 BCADHO COC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345477 588828732 /nfs/dbraw/zinc/82/87/32/588828732.db2.gz BIWFMFSNNABWFF-JTQLQIEISA-N 1 3 231.340 0.614 20 0 BCADHO COC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345477 588828733 /nfs/dbraw/zinc/82/87/33/588828733.db2.gz BIWFMFSNNABWFF-JTQLQIEISA-N 1 3 231.340 0.614 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CCCN1C ZINC000891438375 582685487 /nfs/dbraw/zinc/68/54/87/582685487.db2.gz QKVZAIHINBYQHR-GMTAPVOTSA-N 1 3 240.351 0.212 20 0 BCADHO CN(CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891547282 582695594 /nfs/dbraw/zinc/69/55/94/582695594.db2.gz ZPWUZGFCPVAJSE-MGCOHNPYSA-N 1 3 240.351 0.117 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNCc2cncnc2)C1 ZINC000848562078 582803656 /nfs/dbraw/zinc/80/36/56/582803656.db2.gz HAXSRPUUFZOCJA-KLPPZKSPSA-N 1 3 220.320 0.906 20 0 BCADHO CC(C)NC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004176 582821913 /nfs/dbraw/zinc/82/19/13/582821913.db2.gz DNPLQPUJGSVXDZ-JTQLQIEISA-N 1 3 212.341 0.851 20 0 BCADHO CN(C[C@@H]1CNCCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000125497603 582825236 /nfs/dbraw/zinc/82/52/36/582825236.db2.gz QRRVDIPLRQEWPH-OLZOCXBDSA-N 1 3 239.363 0.143 20 0 BCADHO CN(C[C@@H]1CNCCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125497603 582825237 /nfs/dbraw/zinc/82/52/37/582825237.db2.gz QRRVDIPLRQEWPH-OLZOCXBDSA-N 1 3 239.363 0.143 20 0 BCADHO CC(=O)OC[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000892947247 583016379 /nfs/dbraw/zinc/01/63/79/583016379.db2.gz ZZJKBSDDGKYXIP-PWSUYJOCSA-N 1 3 228.336 0.869 20 0 BCADHO CC(=O)OC[C@@H](C)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000892947247 583016381 /nfs/dbraw/zinc/01/63/81/583016381.db2.gz ZZJKBSDDGKYXIP-PWSUYJOCSA-N 1 3 228.336 0.869 20 0 BCADHO CCN(CC(N)=O)CC1CC[NH+](C)CC1 ZINC000893964506 583265884 /nfs/dbraw/zinc/26/58/84/583265884.db2.gz BJYKOJIZZNGBTH-UHFFFAOYSA-N 1 3 213.325 0.135 20 0 BCADHO C[C@H]([NH3+])CCNC(=O)NCC1=CCN(C)CC1 ZINC000857111303 588889195 /nfs/dbraw/zinc/88/91/95/588889195.db2.gz IZPLVRTUWWTKTN-JTQLQIEISA-N 1 3 240.351 0.285 20 0 BCADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000857111203 588889303 /nfs/dbraw/zinc/88/93/03/588889303.db2.gz FQKXGSPVVRFUSD-NSHDSACASA-N 1 3 244.383 0.705 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000877243004 583304971 /nfs/dbraw/zinc/30/49/71/583304971.db2.gz KHTREEAJRYFYES-ZNSHCXBVSA-N 1 3 225.336 0.228 20 0 BCADHO C[C@@H](NCC1CC[NH+](C)CC1)C(=O)NCCF ZINC000894256584 583395130 /nfs/dbraw/zinc/39/51/30/583395130.db2.gz HMYUHPRYRBSJDB-SNVBAGLBSA-N 1 3 245.342 0.392 20 0 BCADHO C[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C[C@H]1C[NH3+] ZINC000841857254 583439135 /nfs/dbraw/zinc/43/91/35/583439135.db2.gz SONJYSRJRNCDAG-CKYFFXLPSA-N 1 3 243.326 0.131 20 0 BCADHO C[C@H](O)CC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879582081 583440765 /nfs/dbraw/zinc/44/07/65/583440765.db2.gz PNKYQWORZQXYJO-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879582081 583440770 /nfs/dbraw/zinc/44/07/70/583440770.db2.gz PNKYQWORZQXYJO-TUAOUCFPSA-N 1 3 212.337 0.783 20 0 BCADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)C[C@@]1(C)C[NH3+] ZINC000841858117 583442904 /nfs/dbraw/zinc/44/29/04/583442904.db2.gz ZFWPGQXHAKPVMY-YUSALJHKSA-N 1 3 243.326 0.131 20 0 BCADHO C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1NCCCC1(C)C ZINC000417799853 583612588 /nfs/dbraw/zinc/61/25/88/583612588.db2.gz RXIUWCZCXBQLAG-MNOVXSKESA-N 1 3 241.379 0.736 20 0 BCADHO CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000729687090 584023361 /nfs/dbraw/zinc/02/33/61/584023361.db2.gz QKTOXJSZLQOBTA-VXGBXAGGSA-N 1 3 241.379 0.641 20 0 BCADHO CC(C)[C@@H](CN(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729687090 584023362 /nfs/dbraw/zinc/02/33/62/584023362.db2.gz QKTOXJSZLQOBTA-VXGBXAGGSA-N 1 3 241.379 0.641 20 0 BCADHO c1nc(N2CCNCC2)cnc1C1=CCC[NH2+]C1 ZINC000899324886 584196787 /nfs/dbraw/zinc/19/67/87/584196787.db2.gz RVJGZLDQZDSFMI-UHFFFAOYSA-N 1 3 245.330 0.263 20 0 BCADHO CC[C@@H](O)CN1CCC12CC[NH+](C)CC2 ZINC000899911339 584253015 /nfs/dbraw/zinc/25/30/15/584253015.db2.gz SJJAXGYRNPXXEZ-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CC[C@@H](O)C[N@@H+]1CCC12CCN(C)CC2 ZINC000899911339 584253016 /nfs/dbraw/zinc/25/30/16/584253016.db2.gz SJJAXGYRNPXXEZ-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO CC[C@@H](O)C[N@H+]1CCC12CCN(C)CC2 ZINC000899911339 584253017 /nfs/dbraw/zinc/25/30/17/584253017.db2.gz SJJAXGYRNPXXEZ-LLVKDONJSA-N 1 3 212.337 0.927 20 0 BCADHO O=C(N[C@H]1CCN(C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900372529 584298324 /nfs/dbraw/zinc/29/83/24/584298324.db2.gz UMSWZNLRPPSNCI-NSHDSACASA-N 1 3 249.358 0.435 20 0 BCADHO O=C(N[C@@H]1CCN(C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900372528 584298531 /nfs/dbraw/zinc/29/85/31/584298531.db2.gz UMSWZNLRPPSNCI-LLVKDONJSA-N 1 3 249.358 0.435 20 0 BCADHO C[C@@H](CC[NH+](C)C)NC(=O)C12CCN(CC1)C2 ZINC000900694030 584339272 /nfs/dbraw/zinc/33/92/72/584339272.db2.gz GAENKNMZZOZYSG-NSHDSACASA-N 1 3 239.363 0.539 20 0 BCADHO CC1(C)C[NH2+]CC[C@H](NC[C@@H]2COCCO2)C1 ZINC000902319400 584551646 /nfs/dbraw/zinc/55/16/46/584551646.db2.gz NCMQKQBHCFAKCD-NWDGAFQWSA-N 1 3 242.363 0.770 20 0 BCADHO CC(C)(CN[C@@H]1CC[NH2+]CC(C)(C)C1)C(N)=O ZINC000902364223 584573496 /nfs/dbraw/zinc/57/34/96/584573496.db2.gz PYGZMVUIIQZTLU-SNVBAGLBSA-N 1 3 241.379 0.866 20 0 BCADHO CC(C)(C[NH2+][C@@H]1CCNCC(C)(C)C1)C(N)=O ZINC000902364223 584573497 /nfs/dbraw/zinc/57/34/97/584573497.db2.gz PYGZMVUIIQZTLU-SNVBAGLBSA-N 1 3 241.379 0.866 20 0 BCADHO COC[C@@H](NCC1([NH3+])CC1)C1CCOCC1 ZINC000902406078 584573691 /nfs/dbraw/zinc/57/36/91/584573691.db2.gz KXMJEOSVGSLEBB-LLVKDONJSA-N 1 3 228.336 0.509 20 0 BCADHO Cc1nc(CN)ccc1[C@@H](C)NCC1([NH3+])CC1 ZINC000902407826 584574794 /nfs/dbraw/zinc/57/47/94/584574794.db2.gz VMUYPWTWQCYOCS-SECBINFHSA-N 1 3 234.347 0.991 20 0 BCADHO N[C@@H]1c2ccccc2C[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000902435757 584596598 /nfs/dbraw/zinc/59/65/98/584596598.db2.gz UUTLZLVSYSHWHL-RAIGVLPGSA-N 1 3 217.316 0.563 20 0 BCADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCON ZINC000902414856 584600146 /nfs/dbraw/zinc/60/01/46/584600146.db2.gz DXSIVMVVGGAWIX-NXEZZACHSA-N 1 3 201.314 0.374 20 0 BCADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCON ZINC000902414857 584600738 /nfs/dbraw/zinc/60/07/38/584600738.db2.gz DXSIVMVVGGAWIX-UWVGGRQHSA-N 1 3 201.314 0.374 20 0 BCADHO C[C@H]1CN(C)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478478 584603237 /nfs/dbraw/zinc/60/32/37/584603237.db2.gz XHICOQLMJSCDQC-MJDLHHQISA-N 1 3 209.337 0.419 20 0 BCADHO C[C@@H]1CN(C)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902478481 584603249 /nfs/dbraw/zinc/60/32/49/584603249.db2.gz XHICOQLMJSCDQC-ZIQFBCGOSA-N 1 3 209.337 0.419 20 0 BCADHO C[C@@H]([NH3+])C[C@@H](C)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902449939 584606141 /nfs/dbraw/zinc/60/61/41/584606141.db2.gz AMQCIIXRNTWFRX-UKXAOYPBSA-N 1 3 210.321 0.878 20 0 BCADHO C[C@H]([NH2+][C@H]1CNCC1(C)C)[C@@H]1CCOC1 ZINC000902451804 584607264 /nfs/dbraw/zinc/60/72/64/584607264.db2.gz YCJBGNRQUXEOAU-AXFHLTTASA-N 1 3 212.337 0.999 20 0 BCADHO OC1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2N3)CC1 ZINC000902469478 584615439 /nfs/dbraw/zinc/61/54/39/584615439.db2.gz RGLBHDLWGNYRSK-JDSXPTGVSA-N 1 3 210.321 0.772 20 0 BCADHO C[C@H]1CN(C)C[C@H]1N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902472125 584617589 /nfs/dbraw/zinc/61/75/89/584617589.db2.gz XHICOQLMJSCDQC-PREPNJAASA-N 1 3 209.337 0.419 20 0 BCADHO C1CC1[C@H]1COC[C@@H]1NC1CC[NH2+]CC1 ZINC000902519817 584631272 /nfs/dbraw/zinc/63/12/72/584631272.db2.gz MQXBKDORAOYYJT-NEPJUHHUSA-N 1 3 210.321 0.753 20 0 BCADHO C1CC1[C@H]1COC[C@@H]1[NH2+]C1CCNCC1 ZINC000902519817 584631277 /nfs/dbraw/zinc/63/12/77/584631277.db2.gz MQXBKDORAOYYJT-NEPJUHHUSA-N 1 3 210.321 0.753 20 0 BCADHO C1CC1[C@@H]1COC[C@@H]1NC1CC[NH2+]CC1 ZINC000902519819 584631527 /nfs/dbraw/zinc/63/15/27/584631527.db2.gz MQXBKDORAOYYJT-RYUDHWBXSA-N 1 3 210.321 0.753 20 0 BCADHO C1CC1[C@@H]1COC[C@@H]1[NH2+]C1CCNCC1 ZINC000902519819 584631528 /nfs/dbraw/zinc/63/15/28/584631528.db2.gz MQXBKDORAOYYJT-RYUDHWBXSA-N 1 3 210.321 0.753 20 0 BCADHO CCCCN(CCO)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903427303 584761659 /nfs/dbraw/zinc/76/16/59/584761659.db2.gz WEKPEAHNGVZPKE-NEPJUHHUSA-N 1 3 214.353 0.936 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@@H]1CC(N)=O ZINC000903433073 584762105 /nfs/dbraw/zinc/76/21/05/584762105.db2.gz SXNZPRZPGQNXKV-GRYCIOLGSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1CCCC[C@H]1CC(N)=O ZINC000903433074 584762152 /nfs/dbraw/zinc/76/21/52/584762152.db2.gz SXNZPRZPGQNXKV-WOPDTQHZSA-N 1 3 239.363 0.572 20 0 BCADHO [NH3+][C@@H]1CC[C@H](CN2CCc3nccnc3C2)C1 ZINC000903464707 584765680 /nfs/dbraw/zinc/76/56/80/584765680.db2.gz WWEPGBHNWKWKTK-WDEREUQCSA-N 1 3 232.331 0.962 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CN1C[C@@H](O)CC[C@@H]1C ZINC000903461029 584766380 /nfs/dbraw/zinc/76/63/80/584766380.db2.gz NFKBVWNEMUECJB-RHYQMDGZSA-N 1 3 212.337 0.687 20 0 BCADHO c1cc(N2CCN(C[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000903445359 584769504 /nfs/dbraw/zinc/76/95/04/584769504.db2.gz IWZUZMCQSAFLTL-CYBMUJFWSA-N 1 3 246.358 0.956 20 0 BCADHO CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCOC1 ZINC000903729722 584793223 /nfs/dbraw/zinc/79/32/23/584793223.db2.gz RHFQPHXWUQSNFW-RWMBFGLXSA-N 1 3 240.347 0.476 20 0 BCADHO FC(F)[C@H]1CNCCN1C[C@@H]1CCCC[NH2+]C1 ZINC000903749638 584794927 /nfs/dbraw/zinc/79/49/27/584794927.db2.gz NNLGBBLDHVZZTR-GHMZBOCLSA-N 1 3 247.333 0.915 20 0 BCADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903753699 584796242 /nfs/dbraw/zinc/79/62/42/584796242.db2.gz XDQLTOZXRHHQEZ-KXNHARMFSA-N 1 3 242.363 0.753 20 0 BCADHO O[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764269 584797366 /nfs/dbraw/zinc/79/73/66/584797366.db2.gz QQIVOEIGQYCUSQ-VXGBXAGGSA-N 1 3 212.337 0.833 20 0 BCADHO N[C@@H]1CN(C[C@@H]2CCCC[NH2+]C2)CC[C@H]1F ZINC000903765458 584797489 /nfs/dbraw/zinc/79/74/89/584797489.db2.gz HMXQWHAVCAVIGJ-IJLUTSLNSA-N 1 3 229.343 0.747 20 0 BCADHO CC[C@H](O)CN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805086 584802820 /nfs/dbraw/zinc/80/28/20/584802820.db2.gz LPZZGDBSZHLXNN-SRVKXCTJSA-N 1 3 212.337 0.961 20 0 BCADHO CC[C@H](O)CN1CC[NH2+]CCC12CCOCC2 ZINC000903819738 584803563 /nfs/dbraw/zinc/80/35/63/584803563.db2.gz NKPKMSIWGTWDSC-LBPRGKRZSA-N 1 3 242.363 0.602 20 0 BCADHO [NH3+]CCCN1CCC(CN2CCNC2=O)CC1 ZINC000903825319 584804536 /nfs/dbraw/zinc/80/45/36/584804536.db2.gz YWURZCFFCHZBPV-UHFFFAOYSA-N 1 3 240.351 0.072 20 0 BCADHO CNC[C@@](C)(O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000903850254 584808291 /nfs/dbraw/zinc/80/82/91/584808291.db2.gz NCFJMGZOSKCTIW-IJLUTSLNSA-N 1 3 212.337 0.901 20 0 BCADHO CCOCCOCC[N@@H+]1CC[C@H]2CC[C@@]21CN ZINC000903864712 584813073 /nfs/dbraw/zinc/81/30/73/584813073.db2.gz VZKZRNFIILGTTO-CHWSQXEVSA-N 1 3 242.363 0.853 20 0 BCADHO CCOCCOCC[N@H+]1CC[C@H]2CC[C@@]21CN ZINC000903864712 584813074 /nfs/dbraw/zinc/81/30/74/584813074.db2.gz VZKZRNFIILGTTO-CHWSQXEVSA-N 1 3 242.363 0.853 20 0 BCADHO C[C@H]1C(=O)NCCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903874670 584816598 /nfs/dbraw/zinc/81/65/98/584816598.db2.gz HJFULCOZBZESKG-AXFHLTTASA-N 1 3 225.336 0.324 20 0 BCADHO CCN(C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903879354 584817406 /nfs/dbraw/zinc/81/74/06/584817406.db2.gz ZGNFAKNHJCSBDD-NSHDSACASA-N 1 3 224.352 0.798 20 0 BCADHO CC[N@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903879354 584817408 /nfs/dbraw/zinc/81/74/08/584817408.db2.gz ZGNFAKNHJCSBDD-NSHDSACASA-N 1 3 224.352 0.798 20 0 BCADHO CC[N@@H+](C)C[C@H](CN)Cc1cnn(C)c1C ZINC000903879354 584817410 /nfs/dbraw/zinc/81/74/10/584817410.db2.gz ZGNFAKNHJCSBDD-NSHDSACASA-N 1 3 224.352 0.798 20 0 BCADHO N[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CC[C@H]1F ZINC000903932760 584825369 /nfs/dbraw/zinc/82/53/69/584825369.db2.gz GGZSNTBWVAKYEF-XLPZGREQSA-N 1 3 225.258 0.340 20 0 BCADHO CC(C)C[C@H](CN)[NH2+]C[C@@H](N)CC(F)F ZINC000903918094 584827302 /nfs/dbraw/zinc/82/73/02/584827302.db2.gz RRUTWNVLBKVINR-DTWKUNHWSA-N 1 3 223.311 0.932 20 0 BCADHO COC[C@@H]([NH2+]C1CCNCC1)[C@H]1CCCOC1 ZINC000903960169 584827364 /nfs/dbraw/zinc/82/73/64/584827364.db2.gz YDESOCUDDZHSJX-WCQYABFASA-N 1 3 242.363 0.770 20 0 BCADHO COC[C@@H](NC1CC[NH2+]CC1)[C@H]1CCCOC1 ZINC000903960169 584827366 /nfs/dbraw/zinc/82/73/66/584827366.db2.gz YDESOCUDDZHSJX-WCQYABFASA-N 1 3 242.363 0.770 20 0 BCADHO C[C@H]1C[C@H](CN2CCCn3nncc3C2)CC[NH2+]1 ZINC000903951352 584830907 /nfs/dbraw/zinc/83/09/07/584830907.db2.gz WPGQUQMRBSIZJC-NWDGAFQWSA-N 1 3 249.362 0.872 20 0 BCADHO C[C@H]1C[NH2+]C[C@H](NCc2cc(N)ccn2)C1 ZINC000903953320 584831399 /nfs/dbraw/zinc/83/13/99/584831399.db2.gz CXOMEEKTLAHJJX-MWLCHTKSSA-N 1 3 220.320 0.751 20 0 BCADHO Nc1ccnc(CNC[C@@H]([NH3+])CC(F)F)c1 ZINC000903953314 584831480 /nfs/dbraw/zinc/83/14/80/584831480.db2.gz CRRPAJBXSWLVGA-QMMMGPOBSA-N 1 3 230.262 0.736 20 0 BCADHO CN1CCC([NH2+]C[C@H]2CNCCC2(F)F)CC1 ZINC000903956700 584832049 /nfs/dbraw/zinc/83/20/49/584832049.db2.gz NBWOCHVITATVEL-SNVBAGLBSA-N 1 3 247.333 0.915 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CCNCc1cnnn1C ZINC000903973876 584832647 /nfs/dbraw/zinc/83/26/47/584832647.db2.gz HKPSLZZXMLOIJQ-NXEZZACHSA-N 1 3 223.324 0.150 20 0 BCADHO C[C@@H]1CN(Cc2cnc(N)cn2)C[C@H]1CC[NH3+] ZINC000903978111 584832921 /nfs/dbraw/zinc/83/29/21/584832921.db2.gz FPCCDGGGDJMXHO-NXEZZACHSA-N 1 3 235.335 0.476 20 0 BCADHO C[C@]1(CN2CCC[C@@H](C(N)=O)C2)CCC[NH2+]C1 ZINC000904301536 584861322 /nfs/dbraw/zinc/86/13/22/584861322.db2.gz NCNOCUAILXARII-YPMHNXCESA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904301536 584861323 /nfs/dbraw/zinc/86/13/23/584861323.db2.gz NCNOCUAILXARII-YPMHNXCESA-N 1 3 239.363 0.573 20 0 BCADHO C[C@]1(C[N@H+]2CCC[C@@H](C(N)=O)C2)CCCNC1 ZINC000904301536 584861324 /nfs/dbraw/zinc/86/13/24/584861324.db2.gz NCNOCUAILXARII-YPMHNXCESA-N 1 3 239.363 0.573 20 0 BCADHO CCN(C[C@H](O)C(F)(F)F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904343772 584867688 /nfs/dbraw/zinc/86/76/88/584867688.db2.gz WKMQPKYUXOYVEX-YIZRAAEISA-N 1 3 240.269 0.969 20 0 BCADHO CCCN1CCCN(C[C@H]2C[C@@H]([NH3+])C2)CC1=O ZINC000904345113 584867751 /nfs/dbraw/zinc/86/77/51/584867751.db2.gz CORHXZZTBKXOFD-TXEJJXNPSA-N 1 3 239.363 0.668 20 0 BCADHO Nc1ccc(CNCC[C@H]2CC[NH2+]C2)nn1 ZINC000904353459 584869894 /nfs/dbraw/zinc/86/98/94/584869894.db2.gz NHYWHMHCTCNPDO-SECBINFHSA-N 1 3 221.308 0.148 20 0 BCADHO CC(C)(C)S(=O)(=O)CCNC1CC(C[NH3+])C1 ZINC000904359503 584871675 /nfs/dbraw/zinc/87/16/75/584871675.db2.gz PMMQXOIWXOLBCZ-UHFFFAOYSA-N 1 3 248.392 0.527 20 0 BCADHO [NH3+]Cc1ccc(CNC[C@@H]2COCCN2)cc1 ZINC000904381449 584876611 /nfs/dbraw/zinc/87/66/11/584876611.db2.gz PJXPBPCJEXXHNV-CYBMUJFWSA-N 1 3 235.331 0.223 20 0 BCADHO C[C@H]1CN(Cc2ccc(N)nn2)CC[C@H]1C[NH3+] ZINC000904409587 584878958 /nfs/dbraw/zinc/87/89/58/584878958.db2.gz CWTRJHVOHLVTIE-UWVGGRQHSA-N 1 3 235.335 0.476 20 0 BCADHO C1=C(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)COCC1 ZINC000904420212 584881912 /nfs/dbraw/zinc/88/19/12/584881912.db2.gz GTGLNCQDRSHKDH-QWHCGFSZSA-N 1 3 222.332 0.874 20 0 BCADHO C1=C(C[N@@H+]2C[C@@H]3CCNC[C@@H]3C2)COCC1 ZINC000904420212 584881913 /nfs/dbraw/zinc/88/19/13/584881913.db2.gz GTGLNCQDRSHKDH-QWHCGFSZSA-N 1 3 222.332 0.874 20 0 BCADHO C1=C(C[N@H+]2C[C@@H]3CCNC[C@@H]3C2)COCC1 ZINC000904420212 584881914 /nfs/dbraw/zinc/88/19/14/584881914.db2.gz GTGLNCQDRSHKDH-QWHCGFSZSA-N 1 3 222.332 0.874 20 0 BCADHO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc(CN)c1 ZINC000834822738 584914916 /nfs/dbraw/zinc/91/49/16/584914916.db2.gz YYPUOUDLXQFVQR-IUCAKERBSA-N 1 3 221.304 0.611 20 0 BCADHO OC[C@H](NCCC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000771809117 585600724 /nfs/dbraw/zinc/60/07/24/585600724.db2.gz QTLUTYRDSVQAEM-BETUJISGSA-N 1 3 242.363 0.098 20 0 BCADHO OC[C@H]([NH2+]CCCN[C@H](CO)C1CC1)C1CC1 ZINC000771809117 585600725 /nfs/dbraw/zinc/60/07/25/585600725.db2.gz QTLUTYRDSVQAEM-BETUJISGSA-N 1 3 242.363 0.098 20 0 BCADHO O=CN1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000774110019 585650590 /nfs/dbraw/zinc/65/05/90/585650590.db2.gz ALEJWKOHFVEATF-UHFFFAOYSA-N 1 3 239.363 0.683 20 0 BCADHO C[NH+]1CCC([C@H]2CCN(Cn3cnnc3)C2)CC1 ZINC000776763885 585704003 /nfs/dbraw/zinc/70/40/03/585704003.db2.gz SUTQDMUDWSNSCI-ZDUSSCGKSA-N 1 3 249.362 0.899 20 0 BCADHO C[C@H](CCO)[NH2+]CCCN1CCCN(C)CC1 ZINC000779346414 585752145 /nfs/dbraw/zinc/75/21/45/585752145.db2.gz WNKLHWLSORAASX-CYBMUJFWSA-N 1 3 243.395 0.375 20 0 BCADHO C[C@@H](CCO)[NH2+]CCCCN1CCN(C)CC1 ZINC000779387913 585752968 /nfs/dbraw/zinc/75/29/68/585752968.db2.gz NYIITFOGJCZGME-ZDUSSCGKSA-N 1 3 243.395 0.375 20 0 BCADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606680 585821579 /nfs/dbraw/zinc/82/15/79/585821579.db2.gz HXFIMJVLPZHVAL-UPJWGTAASA-N 1 3 224.348 0.785 20 0 BCADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782606680 585821580 /nfs/dbraw/zinc/82/15/80/585821580.db2.gz HXFIMJVLPZHVAL-UPJWGTAASA-N 1 3 224.348 0.785 20 0 BCADHO NCc1cccc(C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000818523959 586897292 /nfs/dbraw/zinc/89/72/92/586897292.db2.gz NSYGUYSJJZJCFQ-GFCCVEGCSA-N 1 3 233.315 0.612 20 0 BCADHO CCNCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000818527312 586897892 /nfs/dbraw/zinc/89/78/92/586897892.db2.gz YHUKXZIQOOXLIS-JTQLQIEISA-N 1 3 235.331 0.932 20 0 BCADHO NCc1cccc(C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000818541637 586898793 /nfs/dbraw/zinc/89/87/93/586898793.db2.gz DGTYHAACYJMXAB-GFCCVEGCSA-N 1 3 233.315 0.627 20 0 BCADHO CCNCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000818565451 586901800 /nfs/dbraw/zinc/90/18/00/586901800.db2.gz YEKZGKSOAJLBHH-SNVBAGLBSA-N 1 3 248.330 0.446 20 0 BCADHO CC[NH2+]CC(=O)Nc1cnc2c(c1)CNCC2 ZINC000818565280 586902146 /nfs/dbraw/zinc/90/21/46/586902146.db2.gz VMLFEIFPDLYPRU-UHFFFAOYSA-N 1 3 234.303 0.275 20 0 BCADHO CCNCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000818594479 586904858 /nfs/dbraw/zinc/90/48/58/586904858.db2.gz HRWVPDMMRQEJGE-VIFPVBQESA-N 1 3 213.325 0.100 20 0 BCADHO CON(C)C(=O)CCN[C@@H](C)CC[NH+](C)C ZINC000819060864 586928292 /nfs/dbraw/zinc/92/82/92/586928292.db2.gz QRPKMFCUVMFGAA-JTQLQIEISA-N 1 3 231.340 0.326 20 0 BCADHO CN(CCCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC000819360191 586957166 /nfs/dbraw/zinc/95/71/66/586957166.db2.gz APGHYDRAABBNMG-UHFFFAOYSA-N 1 3 248.392 0.495 20 0 BCADHO C[C@H](NCC1CC[NH+](C)CC1)c1cnnn1C ZINC000820810020 587073973 /nfs/dbraw/zinc/07/39/73/587073973.db2.gz NDZGHDLUXMPBJO-JTQLQIEISA-N 1 3 237.351 0.808 20 0 BCADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cnnn1C ZINC000820810561 587074493 /nfs/dbraw/zinc/07/44/93/587074493.db2.gz ZGQDMIZZSQRFAT-MNOVXSKESA-N 1 3 237.351 0.808 20 0 BCADHO C[C@H]1CN(C(=O)CCCCC[NH3+])[C@@H](C)CN1 ZINC000831540221 587617725 /nfs/dbraw/zinc/61/77/25/587617725.db2.gz MHLIWCYDEFUQIY-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)N1CCCC1 ZINC000831822332 587633309 /nfs/dbraw/zinc/63/33/09/587633309.db2.gz FAVOMQNZJMNXSA-CMPLNLGQSA-N 1 3 243.326 0.289 20 0 BCADHO C[C@H]1CCCN1CCNC(=O)CCCC[NH3+] ZINC000831970290 587640074 /nfs/dbraw/zinc/64/00/74/587640074.db2.gz BROFNXQTAJNSQU-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C[NH2+]CC1CC1 ZINC000831971062 587640355 /nfs/dbraw/zinc/64/03/55/587640355.db2.gz QLBIFGLQJQDKQK-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO C[C@@H]1CCCN1CCNC(=O)C(C)(C)C[NH3+] ZINC000831970688 587640397 /nfs/dbraw/zinc/64/03/97/587640397.db2.gz KKISVQBPBABZIM-SNVBAGLBSA-N 1 3 227.352 0.572 20 0 BCADHO C[C@H]([NH3+])[C@H](C)C(=O)NCCN1CCC[C@H]1C ZINC000831971264 587640578 /nfs/dbraw/zinc/64/05/78/587640578.db2.gz UPEAVNDDJBAVLO-VWYCJHECSA-N 1 3 227.352 0.570 20 0 BCADHO CC(C)[NH2+]CCC(=O)NCCN1CCC[C@@H]1C ZINC000831970981 587640780 /nfs/dbraw/zinc/64/07/80/587640780.db2.gz PARDLFWTBPFRRI-LBPRGKRZSA-N 1 3 241.379 0.975 20 0 BCADHO CC[NH2+]CCCNC(=O)c1cccc(CN)c1 ZINC000832382982 587657007 /nfs/dbraw/zinc/65/70/07/587657007.db2.gz IXRFMDDXERHTTI-UHFFFAOYSA-N 1 3 235.331 0.875 20 0 BCADHO CC1(C)CN[C@@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000832458421 587661086 /nfs/dbraw/zinc/66/10/86/587661086.db2.gz GTRTWGXZZOPTHC-VHSXEESVSA-N 1 3 225.336 0.182 20 0 BCADHO NCc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000832458042 587661313 /nfs/dbraw/zinc/66/13/13/587661313.db2.gz BFHISIXCHPYNAQ-GFCCVEGCSA-N 1 3 247.342 0.956 20 0 BCADHO C[C@H](NC(=O)[C@]1(F)CCNC1)[C@H]1CCC[NH2+]C1 ZINC000832498182 587663475 /nfs/dbraw/zinc/66/34/75/587663475.db2.gz WSTDJXVXKJDDAP-NHCYSSNCSA-N 1 3 243.326 0.192 20 0 BCADHO NCc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000832630426 587670686 /nfs/dbraw/zinc/67/06/86/587670686.db2.gz JLETUDXWVRQZPO-NSHDSACASA-N 1 3 247.342 0.875 20 0 BCADHO C[C@@H]1CN(C(=O)c2cccc(CN)c2)CC[C@H]1[NH3+] ZINC000832737515 587681374 /nfs/dbraw/zinc/68/13/74/587681374.db2.gz XEPDNFDIZNGGQR-ZWNOBZJWSA-N 1 3 247.342 0.955 20 0 BCADHO O=C(N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[C@@]1(F)CCNC1 ZINC000832808843 587691433 /nfs/dbraw/zinc/69/14/33/587691433.db2.gz QSUYPMRTYXSTDG-JFGNBEQYSA-N 1 3 241.310 0.041 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)C[C@H](N)c1ccccc1 ZINC000834608654 587760688 /nfs/dbraw/zinc/76/06/88/587760688.db2.gz LUSBHHXBDUKMBD-ONGXEEELSA-N 1 3 221.304 0.540 20 0 BCADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000834791295 587767147 /nfs/dbraw/zinc/76/71/47/587767147.db2.gz GRLFLYUYLRFALL-GXSJLCMTSA-N 1 3 237.347 0.385 20 0 BCADHO CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CNCCC1(F)F ZINC000834846070 587768526 /nfs/dbraw/zinc/76/85/26/587768526.db2.gz MRDVFXSONAYKIM-JGVFFNPUSA-N 1 3 247.289 0.098 20 0 BCADHO CC1([C@@H]2CCCN(CCC[NH3+])C2)OCCO1 ZINC000841011429 587935472 /nfs/dbraw/zinc/93/54/72/587935472.db2.gz IHPLIQLFDUZPRO-LLVKDONJSA-N 1 3 228.336 0.810 20 0 BCADHO CC1([C@@H]2CCC[N@H+](CCCN)C2)OCCO1 ZINC000841011429 587935473 /nfs/dbraw/zinc/93/54/73/587935473.db2.gz IHPLIQLFDUZPRO-LLVKDONJSA-N 1 3 228.336 0.810 20 0 BCADHO CC1([C@@H]2CCC[N@@H+](CCCN)C2)OCCO1 ZINC000841011429 587935475 /nfs/dbraw/zinc/93/54/75/587935475.db2.gz IHPLIQLFDUZPRO-LLVKDONJSA-N 1 3 228.336 0.810 20 0 BCADHO CN(C)C1(C(=O)NCC2([NH+](C)C)CC2)CCC1 ZINC000841455409 587955446 /nfs/dbraw/zinc/95/54/46/587955446.db2.gz QQGJHYBCLLUREJ-UHFFFAOYSA-N 1 3 239.363 0.681 20 0 BCADHO C[C@H](CNC(=O)NCC[NH3+])N1CCCCC1 ZINC000841724467 587973121 /nfs/dbraw/zinc/97/31/21/587973121.db2.gz FYEAQJIMMUXVLO-SNVBAGLBSA-N 1 3 228.340 0.119 20 0 BCADHO C[C@@H](C[NH3+])NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000841831018 587976428 /nfs/dbraw/zinc/97/64/28/587976428.db2.gz DJRGPWUVTNAXKJ-ONGXEEELSA-N 1 3 240.351 0.117 20 0 BCADHO CC(C)[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841846169 587977140 /nfs/dbraw/zinc/97/71/40/587977140.db2.gz OYKLVTHYSIMEFN-ZDUSSCGKSA-N 1 3 249.358 0.787 20 0 BCADHO O=C(N(C1CC1)[C@H]1CC[NH2+]C1)[C@@]1(F)CCNC1 ZINC000841848625 587977682 /nfs/dbraw/zinc/97/76/82/587977682.db2.gz SUFYJZZHKRBFRT-CMPLNLGQSA-N 1 3 241.310 0.041 20 0 BCADHO CC[C@@H](N)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514557 588032337 /nfs/dbraw/zinc/03/23/37/588032337.db2.gz XZJQBSGBCPBACG-KOLCDFICSA-N 1 3 211.309 0.078 20 0 BCADHO CCNCC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000843452832 588111682 /nfs/dbraw/zinc/11/16/82/588111682.db2.gz SLRGILOHSNISAK-UHFFFAOYSA-N 1 3 227.352 0.444 20 0 BCADHO [NH3+]CCCCCCNC(=O)[C@@]1(F)CCNC1 ZINC000843505796 588117141 /nfs/dbraw/zinc/11/71/41/588117141.db2.gz NHPOVIOXEBPHIQ-LLVKDONJSA-N 1 3 231.315 0.323 20 0 BCADHO CCNCC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000843505301 588117433 /nfs/dbraw/zinc/11/74/33/588117433.db2.gz JJIYCUBHUQIOID-LLVKDONJSA-N 1 3 239.363 0.587 20 0 BCADHO CCNCC(=O)NCCC[NH+]1CCCCCC1 ZINC000844165977 588170093 /nfs/dbraw/zinc/17/00/93/588170093.db2.gz TZUVIGMSGSLCOR-UHFFFAOYSA-N 1 3 241.379 0.978 20 0 BCADHO CCNCC(=O)NCCCC[NH+](CC)CC ZINC000844170957 588171429 /nfs/dbraw/zinc/17/14/29/588171429.db2.gz VLVMSKSNQLVVET-UHFFFAOYSA-N 1 3 229.368 0.834 20 0 BCADHO CCNCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000844170725 588171632 /nfs/dbraw/zinc/17/16/32/588171632.db2.gz AOYHPFQGWMLTCK-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CCNCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000844170725 588171633 /nfs/dbraw/zinc/17/16/33/588171633.db2.gz AOYHPFQGWMLTCK-UHFFFAOYSA-N 1 3 241.379 0.977 20 0 BCADHO CCCN(CCN(C)C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000844202800 588174007 /nfs/dbraw/zinc/17/40/07/588174007.db2.gz OLFSUMFHYJOJIE-LBPRGKRZSA-N 1 3 245.342 0.488 20 0 BCADHO CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000846686688 588282841 /nfs/dbraw/zinc/28/28/41/588282841.db2.gz LRAGZBRWNKUOSW-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1N ZINC000846686688 588282842 /nfs/dbraw/zinc/28/28/42/588282842.db2.gz LRAGZBRWNKUOSW-MNOVXSKESA-N 1 3 227.352 0.428 20 0 BCADHO CCNCC(=O)N1CCC(CC[NH3+])CC1 ZINC000846698757 588283332 /nfs/dbraw/zinc/28/33/32/588283332.db2.gz IWESWRQYJPAZTM-UHFFFAOYSA-N 1 3 213.325 0.183 20 0 BCADHO CN[C@@H](C)C(=O)NCCCCCC[NH3+] ZINC000848430080 588383712 /nfs/dbraw/zinc/38/37/12/588383712.db2.gz CGEIFVMKROIUBP-VIFPVBQESA-N 1 3 201.314 0.230 20 0 BCADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCNC2)C1 ZINC000848431875 588384163 /nfs/dbraw/zinc/38/41/63/588384163.db2.gz PYXGIZCSQSASDD-JFGNBEQYSA-N 1 3 243.326 0.144 20 0 BCADHO NC[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)C(F)(F)F ZINC000848438208 588385089 /nfs/dbraw/zinc/38/50/89/588385089.db2.gz QVIATTFJAZJTRJ-NKWVEPMBSA-N 1 3 239.241 0.120 20 0 BCADHO Cn1cc([C@H](O)CN[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000848718716 588408622 /nfs/dbraw/zinc/40/86/22/588408622.db2.gz QCBMHDNGKGFCQO-QJPTWQEYSA-N 1 3 238.335 0.313 20 0 BCADHO [NH2+]=C(NCCNc1ccncc1)N1CCC1 ZINC000848995200 588428676 /nfs/dbraw/zinc/42/86/76/588428676.db2.gz DREGBISIHIISDH-UHFFFAOYSA-N 1 3 219.292 0.145 20 0 BCADHO CN1CCC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000849005408 588432169 /nfs/dbraw/zinc/43/21/69/588432169.db2.gz QQRVZRPOPOJTLU-SNVBAGLBSA-N 1 3 210.325 0.558 20 0 BCADHO CC(C)NC(=[NH2+])NCCCN(C)CCN(C)C ZINC000849028492 588441860 /nfs/dbraw/zinc/44/18/60/588441860.db2.gz ZJTRIYNFCOLYSF-UHFFFAOYSA-N 1 3 243.399 0.392 20 0 BCADHO C[C@@H](CNC(=[NH2+])NC1CCC1)CN(C)C ZINC000849029992 588442192 /nfs/dbraw/zinc/44/21/92/588442192.db2.gz BZLUILQBHGJAJG-VIFPVBQESA-N 1 3 212.341 0.851 20 0 BCADHO C[C@@H](CNC(=[NH2+])N1CCOCC1)CN(C)C ZINC000849030662 588442634 /nfs/dbraw/zinc/44/26/34/588442634.db2.gz RJDNONYNMCYITJ-JTQLQIEISA-N 1 3 228.340 0.041 20 0 BCADHO CC(C)NCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000851632793 588611927 /nfs/dbraw/zinc/61/19/27/588611927.db2.gz SPSYWHXHUDJCMM-UHFFFAOYSA-N 1 3 227.352 0.713 20 0 BCADHO CC1(C)OC[C@H](CCN2C[C@H]3C[NH2+]C[C@@H]3C2)O1 ZINC000851732061 588619623 /nfs/dbraw/zinc/61/96/23/588619623.db2.gz IJIOPNDIZDYLJZ-UTUOFQBUSA-N 1 3 240.347 0.679 20 0 BCADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H](CCO)C1CC1 ZINC000851934170 588645573 /nfs/dbraw/zinc/64/55/73/588645573.db2.gz ZYCGDPXZOWLQFL-CHWSQXEVSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H](CCO)C1CC1 ZINC000851934170 588645574 /nfs/dbraw/zinc/64/55/74/588645574.db2.gz ZYCGDPXZOWLQFL-CHWSQXEVSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H](CCO)C1CC1 ZINC000851934171 588645627 /nfs/dbraw/zinc/64/56/27/588645627.db2.gz ZYCGDPXZOWLQFL-OLZOCXBDSA-N 1 3 244.379 0.438 20 0 BCADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](CCO)C1CC1 ZINC000851934171 588645628 /nfs/dbraw/zinc/64/56/28/588645628.db2.gz ZYCGDPXZOWLQFL-OLZOCXBDSA-N 1 3 244.379 0.438 20 0 BCADHO C([C@@H]1CNCCO1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852747893 588699725 /nfs/dbraw/zinc/69/97/25/588699725.db2.gz ASBFQOPVVPJVJM-QWHCGFSZSA-N 1 3 239.363 0.050 20 0 BCADHO N[C@@H]1CN(CCCCCC[NH3+])CC[C@H]1F ZINC000852762376 588700817 /nfs/dbraw/zinc/70/08/17/588700817.db2.gz LIHJMDKMTKWLQM-GHMZBOCLSA-N 1 3 217.332 0.877 20 0 BCADHO O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1NCC12CCCC2 ZINC000852825151 588705937 /nfs/dbraw/zinc/70/59/37/588705937.db2.gz LAEJAXIMPUQZDT-MNOVXSKESA-N 1 3 237.347 0.387 20 0 BCADHO C[C@@H](CCNC(=O)[C@]1(F)CCNC1)[NH+](C)C ZINC000852846152 588706536 /nfs/dbraw/zinc/70/65/36/588706536.db2.gz DBHHCICTDFIKLQ-ONGXEEELSA-N 1 3 231.315 0.144 20 0 BCADHO CC(C)[NH2+]CC(=O)N[C@@H]1CNCCC1(F)F ZINC000852832410 588706758 /nfs/dbraw/zinc/70/67/58/588706758.db2.gz MBGJXGKQGIAMNB-MRVPVSSYSA-N 1 3 235.278 0.098 20 0 BCADHO CCN1CCC(NC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861548621 589167665 /nfs/dbraw/zinc/16/76/65/589167665.db2.gz STBQOPZZUYBXEY-SNVBAGLBSA-N 1 3 242.367 0.459 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000861564036 589168475 /nfs/dbraw/zinc/16/84/75/589168475.db2.gz HBNPJVGYQJOXGJ-ZJUUUORDSA-N 1 3 228.340 0.069 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000861564034 589168558 /nfs/dbraw/zinc/16/85/58/589168558.db2.gz HBNPJVGYQJOXGJ-VHSXEESVSA-N 1 3 228.340 0.069 20 0 BCADHO CCN(CCNC(=O)N(C)C[C@H](C)[NH3+])C1CC1 ZINC000861569786 589168600 /nfs/dbraw/zinc/16/86/00/589168600.db2.gz DVCQYSYJAKUWNS-JTQLQIEISA-N 1 3 242.367 0.459 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000861582472 589168730 /nfs/dbraw/zinc/16/87/30/589168730.db2.gz XDPYNZIYBGOGFP-UWVGGRQHSA-N 1 3 240.351 0.212 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000861574076 589168741 /nfs/dbraw/zinc/16/87/41/589168741.db2.gz OLWNGCGRCYNHKY-NXEZZACHSA-N 1 3 242.367 0.458 20 0 BCADHO Cc1ncc(CNCCOCCC[NH3+])s1 ZINC000863484843 589293085 /nfs/dbraw/zinc/29/30/85/589293085.db2.gz NVIMRCZVPJUBQU-UHFFFAOYSA-N 1 3 229.349 0.907 20 0 BCADHO CCn1ncc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000863540869 589296832 /nfs/dbraw/zinc/29/68/32/589296832.db2.gz USVJZUYRLGEIAA-SDDRHHMPSA-N 1 3 249.362 0.776 20 0 BCADHO CC[C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)N(C)C ZINC000863585851 589301982 /nfs/dbraw/zinc/30/19/82/589301982.db2.gz NHMOUKCJTWXTCK-WCQYABFASA-N 1 3 239.363 0.681 20 0 BCADHO COCCN(C)CCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864453718 589365903 /nfs/dbraw/zinc/36/59/03/589365903.db2.gz BCYOBBSABHOTLI-MNOVXSKESA-N 1 3 242.367 0.477 20 0 BCADHO C[C@H]1C[C@H]1NC(=[NH2+])NCCNC(C)(C)C ZINC000864458576 589368295 /nfs/dbraw/zinc/36/82/95/589368295.db2.gz OBGPDBDRLNDOBH-DTWKUNHWSA-N 1 3 212.341 0.897 20 0 BCADHO NC(=O)c1ccc(CCNCC2([NH3+])CCC2)cc1 ZINC000866661505 589509111 /nfs/dbraw/zinc/50/91/11/589509111.db2.gz QWPNYNPZDLRVGK-UHFFFAOYSA-N 1 3 247.342 0.799 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704014 589513462 /nfs/dbraw/zinc/51/34/62/589513462.db2.gz NUKIBUGMNUFISW-SRVKXCTJSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866704014 589513464 /nfs/dbraw/zinc/51/34/64/589513464.db2.gz NUKIBUGMNUFISW-SRVKXCTJSA-N 1 3 244.404 0.642 20 0 BCADHO C[NH2+]C[C@](C)(O)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000866704014 589513465 /nfs/dbraw/zinc/51/34/65/589513465.db2.gz NUKIBUGMNUFISW-SRVKXCTJSA-N 1 3 244.404 0.642 20 0 BCADHO CNC[C@](C)(O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704804 589514232 /nfs/dbraw/zinc/51/42/32/589514232.db2.gz YDTKBFBPPVYHSB-PWSUYJOCSA-N 1 3 230.352 0.050 20 0 BCADHO CNC[C@](C)(O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000866704804 589514234 /nfs/dbraw/zinc/51/42/34/589514234.db2.gz YDTKBFBPPVYHSB-PWSUYJOCSA-N 1 3 230.352 0.050 20 0 BCADHO N[C@@H]1CN(C(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)CC[C@H]1F ZINC000870957648 589701692 /nfs/dbraw/zinc/70/16/92/589701692.db2.gz SMKIGUCXXUETFO-PORUNHMFSA-N 1 3 241.310 0.012 20 0 BCADHO CCC[C@](C)(N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870968746 589702884 /nfs/dbraw/zinc/70/28/84/589702884.db2.gz CRQVXSPZKYBFAV-QXEWZRGKSA-N 1 3 213.325 0.357 20 0 BCADHO C[C@@H](NC(=O)[C@H](N)C1CCC1)C1CC[NH2+]CC1 ZINC000870984300 589705071 /nfs/dbraw/zinc/70/50/71/589705071.db2.gz ODXYBUFKVKUNCV-BXKDBHETSA-N 1 3 239.363 0.618 20 0 BCADHO CC[C@@H](N)C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000870985450 589705968 /nfs/dbraw/zinc/70/59/68/589705968.db2.gz CZIBHQLFONZMNQ-PSASIEDQSA-N 1 3 213.325 0.228 20 0 BCADHO CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CCN(C)CC1 ZINC000123525950 589747128 /nfs/dbraw/zinc/74/71/28/589747128.db2.gz AMTLBLZAINBJRR-GFCCVEGCSA-N 1 3 239.363 0.666 20 0 BCADHO [NH3+][C@@H](CC(=O)NCCN1CCCCC1)C1CC1 ZINC000123981896 589889364 /nfs/dbraw/zinc/88/93/64/589889364.db2.gz DUVLCKLYOVIUFW-LBPRGKRZSA-N 1 3 239.363 0.716 20 0 BCADHO CN1CCC[C@@H](CNC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123989579 589889424 /nfs/dbraw/zinc/88/94/24/589889424.db2.gz WGMDBGRMXGWKEA-JQWIXIFHSA-N 1 3 239.363 0.572 20 0 BCADHO CC1(C)CNCCN1C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872257296 589901610 /nfs/dbraw/zinc/90/16/10/589901610.db2.gz DGVJSPHKAOVSHZ-NRUUGDAUSA-N 1 3 237.347 0.324 20 0 BCADHO C[NH2+][C@@H](C)C(=O)N1CCNCCC1(C)C ZINC000872301808 589907864 /nfs/dbraw/zinc/90/78/64/589907864.db2.gz UOFZHJJCJAEXRP-VIFPVBQESA-N 1 3 213.325 0.195 20 0 BCADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCNCCC1(C)C ZINC000872297436 589907927 /nfs/dbraw/zinc/90/79/27/589907927.db2.gz PDJGMEJMTQZXRV-GHMZBOCLSA-N 1 3 239.363 0.585 20 0 BCADHO CC[NH2+][C@H](C)C(=O)N1CCNCCC1(C)C ZINC000872300514 589907958 /nfs/dbraw/zinc/90/79/58/589907958.db2.gz JHEJXVFTRGRNDU-SNVBAGLBSA-N 1 3 227.352 0.585 20 0 BCADHO C([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)C12CC(C1)CN2 ZINC000873215937 589998236 /nfs/dbraw/zinc/99/82/36/589998236.db2.gz HMRMMKIVNFLJTA-RPBVKXSWSA-N 1 3 234.343 0.751 20 0 BCADHO CC(C)(N)C[NH+]1CCC2(CCNC2=O)CC1 ZINC000873226064 590001004 /nfs/dbraw/zinc/00/10/04/590001004.db2.gz IXKYHRNWXVGIRA-UHFFFAOYSA-N 1 3 225.336 0.326 20 0 BCADHO c1ccc2c(c1)CN[C@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000873295855 590023826 /nfs/dbraw/zinc/02/38/26/590023826.db2.gz ADYVXQUIOJTDIE-KBPBESRZSA-N 1 3 231.343 0.652 20 0 BCADHO c1ccc2c(c1)CN[C@@H](CN[C@H]1CC[NH2+]C1)C2 ZINC000873295858 590024336 /nfs/dbraw/zinc/02/43/36/590024336.db2.gz ADYVXQUIOJTDIE-UONOGXRCSA-N 1 3 231.343 0.652 20 0 BCADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCNCC1 ZINC000876505292 590204436 /nfs/dbraw/zinc/20/44/36/590204436.db2.gz BBKLGSZWSSWKGK-VNPHXJNISA-N 1 3 237.347 0.220 20 0 BCADHO CC(C)CC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514724 590206364 /nfs/dbraw/zinc/20/63/64/590206364.db2.gz YLVMJDLYEXAIEU-NEPJUHHUSA-N 1 3 241.379 0.947 20 0 BCADHO CC(C)CC[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514726 590206723 /nfs/dbraw/zinc/20/67/23/590206723.db2.gz YLVMJDLYEXAIEU-NWDGAFQWSA-N 1 3 241.379 0.947 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)N(C)C ZINC000876735419 590233968 /nfs/dbraw/zinc/23/39/68/590233968.db2.gz NKCJPKOCNPOCNC-UTLUCORTSA-N 1 3 227.352 0.426 20 0 BCADHO C[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000876735416 590234291 /nfs/dbraw/zinc/23/42/91/590234291.db2.gz NKCJPKOCNPOCNC-KXUCPTDWSA-N 1 3 227.352 0.426 20 0 BCADHO C[C@H]1NCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1C ZINC000876831000 590247421 /nfs/dbraw/zinc/24/74/21/590247421.db2.gz BYEQODHXNKXILT-DDHJBXDOSA-N 1 3 239.363 0.713 20 0 BCADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH3+] ZINC000876938109 590259071 /nfs/dbraw/zinc/25/90/71/590259071.db2.gz QBGCVNSFHNNQSG-UHFFFAOYSA-N 1 3 238.335 0.896 20 0 BCADHO CN1CCC[C@H]1CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877081473 590280065 /nfs/dbraw/zinc/28/00/65/590280065.db2.gz CGNIGQKYXLSANW-DCAQKATOSA-N 1 3 243.326 0.144 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@H](CN)c1ccccc1 ZINC000877095803 590281906 /nfs/dbraw/zinc/28/19/06/590281906.db2.gz RWUSFIGZQMMEKH-CMPLNLGQSA-N 1 3 235.331 0.535 20 0 BCADHO C[C@@H]([NH3+])CN(C)C(=O)C1(N)Cc2ccccc2C1 ZINC000877095226 590282212 /nfs/dbraw/zinc/28/22/12/590282212.db2.gz JBAVNWVNDCUHKK-SNVBAGLBSA-N 1 3 247.342 0.288 20 0 BCADHO CC[C@@H](C)[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877103644 590284160 /nfs/dbraw/zinc/28/41/60/590284160.db2.gz XCSFCZPOAAGHLI-HLTSFMKQSA-N 1 3 201.314 0.165 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)c1cccc2c1CNC2 ZINC000877104450 590284666 /nfs/dbraw/zinc/28/46/66/590284666.db2.gz CASTXDHQNWPNFV-VIFPVBQESA-N 1 3 233.315 0.709 20 0 BCADHO C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[C@@H](C)CCN1 ZINC000877105886 590285004 /nfs/dbraw/zinc/28/50/04/590285004.db2.gz STXJUFPOQYZCHZ-LPEHRKFASA-N 1 3 213.325 0.180 20 0 BCADHO CNCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877133903 590291134 /nfs/dbraw/zinc/29/11/34/590291134.db2.gz KJYJZRNGKXQFEW-WDEREUQCSA-N 1 3 219.288 0.659 20 0 BCADHO CCNCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000877158800 590293983 /nfs/dbraw/zinc/29/39/83/590293983.db2.gz YCPODIZYCXCFSA-ZDUSSCGKSA-N 1 3 249.358 0.672 20 0 BCADHO CCNCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000877158799 590294184 /nfs/dbraw/zinc/29/41/84/590294184.db2.gz YCPODIZYCXCFSA-CYBMUJFWSA-N 1 3 249.358 0.672 20 0 BCADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167707 590295448 /nfs/dbraw/zinc/29/54/48/590295448.db2.gz HCVGNNBVPJYSRP-AAEUAGOBSA-N 1 3 249.358 0.434 20 0 BCADHO CC(C)[C@@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187753 590298545 /nfs/dbraw/zinc/29/85/45/590298545.db2.gz GKJJCGMYGAGKSX-SQLBVSGCSA-N 1 3 225.336 0.452 20 0 BCADHO CC[C@@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877187847 590298685 /nfs/dbraw/zinc/29/86/85/590298685.db2.gz JWFVMYLLZPZAQQ-INWMGODYSA-N 1 3 211.309 0.206 20 0 BCADHO CC(C)[C@H](N)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877191986 590298988 /nfs/dbraw/zinc/29/89/88/590298988.db2.gz GKJJCGMYGAGKSX-YZRBJQDESA-N 1 3 225.336 0.452 20 0 BCADHO NC1(C(=O)N2C3CCC2(C[NH3+])CC3)CCCC1 ZINC000877192933 590299326 /nfs/dbraw/zinc/29/93/26/590299326.db2.gz UWGDRFYBIYHBPF-UHFFFAOYSA-N 1 3 237.347 0.740 20 0 BCADHO CCNCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877193250 590299682 /nfs/dbraw/zinc/29/96/82/590299682.db2.gz YMOZBRYNXNECRN-UHFFFAOYSA-N 1 3 211.309 0.078 20 0 BCADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242061 590302168 /nfs/dbraw/zinc/30/21/68/590302168.db2.gz BCRVTOFYMRDMKI-AXFHLTTASA-N 1 3 227.352 0.603 20 0 BCADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N(C)C ZINC000877243586 590302521 /nfs/dbraw/zinc/30/25/21/590302521.db2.gz QJPRSYRKMVKVPT-OUAUKWLOSA-N 1 3 227.352 0.426 20 0 BCADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877245635 590303007 /nfs/dbraw/zinc/30/30/07/590303007.db2.gz JUTYRXDKZXZFFB-IWSPIJDZSA-N 1 3 213.325 0.213 20 0 BCADHO CCN[C@H](C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246100 590303680 /nfs/dbraw/zinc/30/36/80/590303680.db2.gz OOPNAIVEPDLYHN-WISYIIOYSA-N 1 3 239.363 0.631 20 0 BCADHO C[C@H](NC1CC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877282725 590306884 /nfs/dbraw/zinc/30/68/84/590306884.db2.gz MUDSKUFPTQAULA-WCQGTBRESA-N 1 3 237.347 0.480 20 0 BCADHO C[C@H](C[NH3+])C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877342831 590317884 /nfs/dbraw/zinc/31/78/84/590317884.db2.gz FWWKABKVOPGZFB-ZWNOBZJWSA-N 1 3 247.342 0.412 20 0 BCADHO CC[NH2+]CC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877346391 590318960 /nfs/dbraw/zinc/31/89/60/590318960.db2.gz CLRZNRKCUGZXEV-CYBMUJFWSA-N 1 3 247.342 0.427 20 0 BCADHO Cc1[nH]cnc1CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386462 590320792 /nfs/dbraw/zinc/32/07/92/590320792.db2.gz RMTAIWNLHPLJML-DGCLKSJQSA-N 1 3 248.330 0.661 20 0 BCADHO O=C(CNC1CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877390435 590321426 /nfs/dbraw/zinc/32/14/26/590321426.db2.gz KNFAFFUKIQRXPN-ZYHUDNBSSA-N 1 3 223.320 0.139 20 0 BCADHO O=C(CNC1CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390433 590321509 /nfs/dbraw/zinc/32/15/09/590321509.db2.gz KNFAFFUKIQRXPN-JQWIXIFHSA-N 1 3 223.320 0.139 20 0 BCADHO O=C(CNC1CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877390432 590321534 /nfs/dbraw/zinc/32/15/34/590321534.db2.gz KNFAFFUKIQRXPN-CMPLNLGQSA-N 1 3 223.320 0.139 20 0 BCADHO CCN[C@H](C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387405 590321681 /nfs/dbraw/zinc/32/16/81/590321681.db2.gz YMUWRDZKKGQNBV-CKYFFXLPSA-N 1 3 225.336 0.385 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000877450965 590329073 /nfs/dbraw/zinc/32/90/73/590329073.db2.gz IVCFKYXEWYGITQ-UJPOAAIJSA-N 1 3 249.358 0.432 20 0 BCADHO CN(CC(=O)NC1CC[NH+](C)CC1)CC1CC1 ZINC000877972196 590462214 /nfs/dbraw/zinc/46/22/14/590462214.db2.gz DRBANMPGGPCIOQ-UHFFFAOYSA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)NCCC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879570780 590809833 /nfs/dbraw/zinc/80/98/33/590809833.db2.gz IRSZLTNQBGDNPD-OLZOCXBDSA-N 1 3 239.363 0.539 20 0 BCADHO CC(=O)NCCC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879570780 590809835 /nfs/dbraw/zinc/80/98/35/590809835.db2.gz IRSZLTNQBGDNPD-OLZOCXBDSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879578612 590817457 /nfs/dbraw/zinc/81/74/57/590817457.db2.gz FYWJXZWLSLLNNK-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CNC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879578612 590817459 /nfs/dbraw/zinc/81/74/59/590817459.db2.gz FYWJXZWLSLLNNK-NEPJUHHUSA-N 1 3 239.363 0.539 20 0 BCADHO CN1CCC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000129825213 591410939 /nfs/dbraw/zinc/41/09/39/591410939.db2.gz XTSSTOLYHNXFKC-MNOVXSKESA-N 1 3 225.336 0.324 20 0 BCADHO Cn1cncc1CCN1CCC[C@@H](C[NH3+])C1 ZINC000883416241 591652938 /nfs/dbraw/zinc/65/29/38/591652938.db2.gz PQONNBGJCQIQRH-NSHDSACASA-N 1 3 222.336 0.633 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000132500636 591715189 /nfs/dbraw/zinc/71/51/89/591715189.db2.gz TWRJGHHRVKSJLW-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@H](CCO)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000132500636 591715191 /nfs/dbraw/zinc/71/51/91/591715191.db2.gz TWRJGHHRVKSJLW-GRYCIOLGSA-N 1 3 212.337 0.974 20 0 BCADHO C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000132968635 591751563 /nfs/dbraw/zinc/75/15/63/591751563.db2.gz SIHOOBDCXLALAL-UTLUCORTSA-N 1 3 213.325 0.323 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884017642 591800584 /nfs/dbraw/zinc/80/05/84/591800584.db2.gz BJXSRQAASDNGMW-WDEREUQCSA-N 1 3 225.336 0.372 20 0 BCADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884021508 591802945 /nfs/dbraw/zinc/80/29/45/591802945.db2.gz CXLGTRQDXGRGPE-GHMZBOCLSA-N 1 3 225.336 0.324 20 0 BCADHO N[C@@H](CC1CC1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026743 591810327 /nfs/dbraw/zinc/81/03/27/591810327.db2.gz KVLHBHKUHJJJNI-QWRGUYRKSA-N 1 3 225.336 0.230 20 0 BCADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](N)CC2CC2)C1 ZINC000884033690 591816175 /nfs/dbraw/zinc/81/61/75/591816175.db2.gz REIJDBFSHBIJOP-ZMLRMANQSA-N 1 3 239.363 0.700 20 0 BCADHO C[C@@H]1CCCN(C(=O)[C@H](N)CC2CC2)[C@H]1C[NH3+] ZINC000884034403 591816402 /nfs/dbraw/zinc/81/64/02/591816402.db2.gz DGUOMRYFKIJPLJ-JLLWLGSASA-N 1 3 239.363 0.700 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CC1CC1 ZINC000884036384 591817936 /nfs/dbraw/zinc/81/79/36/591817936.db2.gz UNDYRIONHDNZEX-CMPLNLGQSA-N 1 3 227.352 0.603 20 0 BCADHO C[NH2+][C@@H](CC(C)C)C(=O)NCCN(C)C1CC1 ZINC000884200592 591872230 /nfs/dbraw/zinc/87/22/30/591872230.db2.gz GDOIJHUTSFHDCL-LBPRGKRZSA-N 1 3 241.379 0.831 20 0 BCADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)CC2CC2)C1 ZINC000884227648 591875522 /nfs/dbraw/zinc/87/55/22/591875522.db2.gz VARWXFITIACMSP-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](N)CC2CC2)C1 ZINC000884227648 591875524 /nfs/dbraw/zinc/87/55/24/591875524.db2.gz VARWXFITIACMSP-PWSUYJOCSA-N 1 3 239.363 0.572 20 0 BCADHO COCC[C@@H](N)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884287020 591894858 /nfs/dbraw/zinc/89/48/58/591894858.db2.gz QVXZRIPMQOXKGT-GHMZBOCLSA-N 1 3 243.351 0.080 20 0 BCADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000884292078 591895796 /nfs/dbraw/zinc/89/57/96/591895796.db2.gz PXZKDNQEJDCION-GHMZBOCLSA-N 1 3 237.347 0.372 20 0 BCADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H](N)CC1CC1 ZINC000884292230 591896092 /nfs/dbraw/zinc/89/60/92/591896092.db2.gz UCBIERMLFRFETM-GXSJLCMTSA-N 1 3 227.352 0.748 20 0 BCADHO CN(C(=O)[C@@H](N)CC1CC1)C1(C[NH3+])CCC1 ZINC000884300262 591898856 /nfs/dbraw/zinc/89/88/56/591898856.db2.gz UFROEOURALOXGF-JTQLQIEISA-N 1 3 225.336 0.454 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303184 591899253 /nfs/dbraw/zinc/89/92/53/591899253.db2.gz IUUDYSVUMXSZQF-SDDRHHMPSA-N 1 3 237.347 0.324 20 0 BCADHO N[C@@H](CC1CC1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000884347597 591908919 /nfs/dbraw/zinc/90/89/19/591908919.db2.gz YJKIVLCCHFBQCW-NSHDSACASA-N 1 3 237.347 0.468 20 0 BCADHO CCC[C@](C)(N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884348410 591910155 /nfs/dbraw/zinc/91/01/55/591910155.db2.gz YJEXOFHKGFWFQM-PTRXPTGYSA-N 1 3 227.352 0.746 20 0 BCADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884357609 591912559 /nfs/dbraw/zinc/91/25/59/591912559.db2.gz BCGVJELAMFPLLY-JLIMGVALSA-N 1 3 227.352 0.602 20 0 BCADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)N(C)C ZINC000884358862 591913140 /nfs/dbraw/zinc/91/31/40/591913140.db2.gz ZNUCGPISUYEMDO-MXWKQRLJSA-N 1 3 241.379 0.815 20 0 BCADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H](N)CC(F)F ZINC000884357918 591913146 /nfs/dbraw/zinc/91/31/46/591913146.db2.gz IMIPCDRUWXDAMW-QYNIQEEDSA-N 1 3 235.278 0.211 20 0 BCADHO C[C@@H]1CCN[C@H](C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)C1 ZINC000884361557 591915055 /nfs/dbraw/zinc/91/50/55/591915055.db2.gz VAMREUZYMQIANA-RCWTZXSCSA-N 1 3 239.363 0.617 20 0 BCADHO N[C@H](CC1CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000884388676 591921653 /nfs/dbraw/zinc/92/16/53/591921653.db2.gz CPLFEGMQQFDRFH-GFCCVEGCSA-N 1 3 239.363 0.620 20 0 BCADHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)CC1CC1 ZINC000884416105 591927580 /nfs/dbraw/zinc/92/75/80/591927580.db2.gz QLQIECQHLABTID-MNOVXSKESA-N 1 3 227.352 0.603 20 0 BCADHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CC2CC2)C[NH2+]1 ZINC000884437837 591934410 /nfs/dbraw/zinc/93/44/10/591934410.db2.gz OBBVXIRHISNZEE-MIMYLULJSA-N 1 3 225.336 0.371 20 0 BCADHO C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N(C)C ZINC000134528809 591934627 /nfs/dbraw/zinc/93/46/27/591934627.db2.gz MLOYHYFKXJPDNS-GHMZBOCLSA-N 1 3 227.352 0.442 20 0 BCADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](N)CC1CC1 ZINC000884458301 591940226 /nfs/dbraw/zinc/94/02/26/591940226.db2.gz BBRHNFVHKJDSKF-QNSHHTMESA-N 1 3 211.309 0.062 20 0 BCADHO C([C@H]1C[C@@]12CCOC2)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000885961391 592115533 /nfs/dbraw/zinc/11/55/33/592115533.db2.gz XBFJAIXCPDUXNU-FDYHWXHSSA-N 1 3 222.332 0.564 20 0 BCADHO C[C@H](CNC(=O)C[C@H]([NH3+])C1CC1)N1CCCC1 ZINC000137446882 592183570 /nfs/dbraw/zinc/18/35/70/592183570.db2.gz DUKYHPBQSMCKEU-PWSUYJOCSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H](CNC(=O)C[C@@H]([NH3+])C1CC1)N1CCCC1 ZINC000137446939 592183714 /nfs/dbraw/zinc/18/37/14/592183714.db2.gz DUKYHPBQSMCKEU-CMPLNLGQSA-N 1 3 239.363 0.714 20 0 BCADHO C[C@@H]1C[N@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1CN ZINC000886841827 592363338 /nfs/dbraw/zinc/36/33/38/592363338.db2.gz XBXHDDWOULTSLG-NDBYEHHHSA-N 1 3 224.348 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@@H]2C[C@]23CCOC3)C[C@H]1CN ZINC000886841827 592363343 /nfs/dbraw/zinc/36/33/43/592363343.db2.gz XBXHDDWOULTSLG-NDBYEHHHSA-N 1 3 224.348 0.940 20 0 BCADHO CCN(C[C@@H]1CCC2(CNC2)O1)[C@H]1CC[NH2+]C1 ZINC000886847060 592365172 /nfs/dbraw/zinc/36/51/72/592365172.db2.gz YACVRGAIPNPYKB-RYUDHWBXSA-N 1 3 239.363 0.191 20 0 BCADHO c1nnn2c1CN(CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000886857881 592370825 /nfs/dbraw/zinc/37/08/25/592370825.db2.gz DPWSLIUQHHMKIA-LBPRGKRZSA-N 1 3 249.362 0.874 20 0 BCADHO c1c(CN2CC[NH2+]CC2)sc2c1CNCC2 ZINC000139597444 592417088 /nfs/dbraw/zinc/41/70/88/592417088.db2.gz DENKKSWQWCIQAP-UHFFFAOYSA-N 1 3 237.372 0.799 20 0 BCADHO C[C@H](CNC(=[NH2+])NCC1CC1)CN(C)C ZINC000887360616 592489471 /nfs/dbraw/zinc/48/94/71/592489471.db2.gz PCRODBDJHBUMHA-SECBINFHSA-N 1 3 212.341 0.708 20 0 BCADHO CN(C)CC(C)(C)CNC(=[NH2+])NCC(F)F ZINC000887346072 592483615 /nfs/dbraw/zinc/48/36/15/592483615.db2.gz PDWKVPZHPAIQDG-UHFFFAOYSA-N 1 3 236.310 0.953 20 0 BCADHO CC(C)(C)NCCNC(=[NH2+])NCC1CC1 ZINC000887354171 592487193 /nfs/dbraw/zinc/48/71/93/592487193.db2.gz SISAVBROBOKELK-UHFFFAOYSA-N 1 3 212.341 0.898 20 0 BCADHO CN1CCC[C@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000300360692 592508662 /nfs/dbraw/zinc/50/86/62/592508662.db2.gz YVSJVXKBBOTJBT-QWRGUYRKSA-N 1 3 225.336 0.324 20 0 BCADHO C[NH+]1CCC(CNC(=O)[C@H](N)CC2CC2)CC1 ZINC000302674570 592551501 /nfs/dbraw/zinc/55/15/01/592551501.db2.gz MYKRYEYYCSDUMT-GFCCVEGCSA-N 1 3 239.363 0.572 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1N[C@@H]1CNCCC1(F)F ZINC000925707607 634395920 /nfs/dbraw/zinc/39/59/20/634395920.db2.gz LXZMBKSKKMUAKH-RKDXNWHRSA-N 1 3 233.306 0.714 20 0 BCADHO CN1CC[C@H](c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000258031204 634548581 /nfs/dbraw/zinc/54/85/81/634548581.db2.gz NVVWALHHVDJKHT-JTQLQIEISA-N 1 3 236.319 0.956 20 0 BCADHO CCC[C@H](O)CCN[C@H](C)C1C[NH2+]C1 ZINC000925857580 635549067 /nfs/dbraw/zinc/54/90/67/635549067.db2.gz MOEIVUVNLVJHGF-KOLCDFICSA-N 1 3 200.326 0.735 20 0 BCADHO COC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)N ZINC000251524259 635565410 /nfs/dbraw/zinc/56/54/10/635565410.db2.gz JRAGREYLGPEALV-AXFHLTTASA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)N ZINC000251524259 635565417 /nfs/dbraw/zinc/56/54/17/635565417.db2.gz JRAGREYLGPEALV-AXFHLTTASA-N 1 3 216.325 0.195 20 0 BCADHO C[C@H](NCCO[C@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000925874796 635596519 /nfs/dbraw/zinc/59/65/19/635596519.db2.gz NNTXNWSFSUQBFV-SRVKXCTJSA-N 1 3 228.336 0.380 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC)C1)N(C)C ZINC000971777818 631453661 /nfs/dbraw/zinc/45/36/61/631453661.db2.gz HTKLNAIDIIXUAZ-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC)C1)N(C)C ZINC000971777818 631453670 /nfs/dbraw/zinc/45/36/70/631453670.db2.gz HTKLNAIDIIXUAZ-VXGBXAGGSA-N 1 3 241.379 0.879 20 0 BCADHO C[C@@H](O)CCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733474 631493897 /nfs/dbraw/zinc/49/38/97/631493897.db2.gz KALDZIHSRXNECK-GRYCIOLGSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@@H](O)CCN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733474 631493909 /nfs/dbraw/zinc/49/39/09/631493909.db2.gz KALDZIHSRXNECK-GRYCIOLGSA-N 1 3 212.337 0.641 20 0 BCADHO C[C@H](CNC(=O)[C@@H](N)CC1CC1)[NH+](C)C ZINC000308811969 631665445 /nfs/dbraw/zinc/66/54/45/631665445.db2.gz HMVYUZZIVAEUDO-SCZZXKLOSA-N 1 3 213.325 0.180 20 0 BCADHO C[C@@H](CC[NH+](C)C)Nc1ccncc1CO ZINC000892085121 631724733 /nfs/dbraw/zinc/72/47/33/631724733.db2.gz IEJYTVBVRGMSKJ-JTQLQIEISA-N 1 3 223.320 0.748 20 0 BCADHO CCNC(=O)CN(C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000309118939 631889895 /nfs/dbraw/zinc/88/98/95/631889895.db2.gz SEVZHOFKGUJHDO-ZJUUUORDSA-N 1 3 213.325 0.182 20 0 BCADHO C[C@H]1CN(CC(=O)NC2CC2)CC[C@H]1C[NH3+] ZINC000251863175 635707552 /nfs/dbraw/zinc/70/75/52/635707552.db2.gz SRKDFMAGSNMQQL-UWVGGRQHSA-N 1 3 225.336 0.182 20 0 BCADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)CN)C1 ZINC000178834600 635734941 /nfs/dbraw/zinc/73/49/41/635734941.db2.gz XFKCPCACBROLIH-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN)C1 ZINC000178834600 635734954 /nfs/dbraw/zinc/73/49/54/635734954.db2.gz XFKCPCACBROLIH-SNVBAGLBSA-N 1 3 213.325 0.135 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250240985 632542608 /nfs/dbraw/zinc/54/26/08/632542608.db2.gz LFCLZMVLVCROBQ-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO CC[C@H](N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250240985 632542614 /nfs/dbraw/zinc/54/26/14/632542614.db2.gz LFCLZMVLVCROBQ-DCAQKATOSA-N 1 3 225.336 0.467 20 0 BCADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)CC1CC1 ZINC000310486896 632748885 /nfs/dbraw/zinc/74/88/85/632748885.db2.gz GRWLNXCCOQQOBA-LLVKDONJSA-N 1 3 241.379 0.818 20 0 BCADHO CC[C@H]1CN(C[C@@H](O)COC)CC[C@@H]1[NH3+] ZINC000226035512 636102262 /nfs/dbraw/zinc/10/22/62/636102262.db2.gz BXYXYMQGJFHTTF-AXFHLTTASA-N 1 3 216.325 0.053 20 0 BCADHO CO[C@H](CNCC[C@H](C)[NH+](C)C)[C@H]1CCOC1 ZINC000895291281 636131722 /nfs/dbraw/zinc/13/17/22/636131722.db2.gz AZIJNHLHHDRBFN-RWMBFGLXSA-N 1 3 244.379 0.968 20 0 BCADHO C(C1CC1)N1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925557683 634032890 /nfs/dbraw/zinc/03/28/90/634032890.db2.gz PXVRLAMLUDVDEG-QWHCGFSZSA-N 1 3 239.363 0.049 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1N[C@H]1CCc2nc[nH]c2C1 ZINC000925667157 634242767 /nfs/dbraw/zinc/24/27/67/634242767.db2.gz AEEOZKWAIYFIME-JOYOIKCWSA-N 1 3 234.347 0.997 20 0 BCADHO CC1(C)[NH2+]CC[C@H]1N[C@H]1CCc2[nH]cnc2C1 ZINC000925667157 634242772 /nfs/dbraw/zinc/24/27/72/634242772.db2.gz AEEOZKWAIYFIME-JOYOIKCWSA-N 1 3 234.347 0.997 20 0 BCADHO C[C@@H]1COCC[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925669829 634251145 /nfs/dbraw/zinc/25/11/45/634251145.db2.gz FTZAVASFGYDNTB-UTUOFQBUSA-N 1 3 228.336 0.237 20 0 BCADHO C[C@@H]1COCC[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925669830 634251293 /nfs/dbraw/zinc/25/12/93/634251293.db2.gz FTZAVASFGYDNTB-WOPDTQHZSA-N 1 3 228.336 0.237 20 0 BCADHO C[C@H]1[NH2+]CCC[C@@H]1NC[C@@H]1CCC[C@H]1O ZINC000925692956 634329632 /nfs/dbraw/zinc/32/96/32/634329632.db2.gz PQAGLFVTFNDLQW-NOOOWODRSA-N 1 3 212.337 0.878 20 0 BCADHO [NH3+]C[C@H]1CCN(C[C@H](O)Cc2ccccc2)C1 ZINC000258430176 635149911 /nfs/dbraw/zinc/14/99/11/635149911.db2.gz GZQNVTTWNSZKQA-ZIAGYGMSSA-N 1 3 234.343 0.871 20 0 BCADHO [NH3+]C[C@@H]1CCN(C[C@@H](O)Cc2ccccc2)C1 ZINC000258430166 635150279 /nfs/dbraw/zinc/15/02/79/635150279.db2.gz GZQNVTTWNSZKQA-KBPBESRZSA-N 1 3 234.343 0.871 20 0 BCADHO COC[C@H](N[C@@H](C)C1C[NH2+]C1)[C@@H]1CCCOC1 ZINC000925777828 635260384 /nfs/dbraw/zinc/26/03/84/635260384.db2.gz HJPLSCDAVSIIIZ-LOWVWBTDSA-N 1 3 242.363 0.626 20 0 BCADHO C[NH2+][C@@H](C)C(=O)NC[C@H](C)N1CCCCC1 ZINC000054075649 635345251 /nfs/dbraw/zinc/34/52/51/635345251.db2.gz WGCQLCGSEGYCPY-QWRGUYRKSA-N 1 3 227.352 0.585 20 0 BCADHO C[C@H](NCCO[C@@H]1CCOC1)[C@H]1CC[NH2+]C1 ZINC000925874795 635595741 /nfs/dbraw/zinc/59/57/41/635595741.db2.gz NNTXNWSFSUQBFV-SDDRHHMPSA-N 1 3 228.336 0.380 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCOC1 ZINC000924779245 637230740 /nfs/dbraw/zinc/23/07/40/637230740.db2.gz YGWNEPVSQPYFGR-FKJOKYEKSA-N 1 3 224.348 0.953 20 0 BCADHO Cc1nn(C)c2ncc(C[NH2+]CC3(N)CC3)cc12 ZINC000904450723 637416126 /nfs/dbraw/zinc/41/61/26/637416126.db2.gz SECLVDQWYFJNDM-UHFFFAOYSA-N 1 3 245.330 0.858 20 0 BCADHO CC[N@H+](CCC(=O)NC)CC(C)(C)N ZINC000904469444 637422959 /nfs/dbraw/zinc/42/29/59/637422959.db2.gz MKQSBCNOTSWRGY-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CC[N@@H+](CCC(=O)NC)CC(C)(C)N ZINC000904469444 637422963 /nfs/dbraw/zinc/42/29/63/637422963.db2.gz MKQSBCNOTSWRGY-UHFFFAOYSA-N 1 3 201.314 0.182 20 0 BCADHO CCN(CCC(=O)NC)C[C@@]1(C)CC[NH2+]C1 ZINC000904468651 637423514 /nfs/dbraw/zinc/42/35/14/637423514.db2.gz DNVLNANEHBHMBO-LBPRGKRZSA-N 1 3 227.352 0.444 20 0 BCADHO CCC[C@H](O)CCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000905585712 637855409 /nfs/dbraw/zinc/85/54/09/637855409.db2.gz AITSJCNQWVXHOD-QWHCGFSZSA-N 1 3 244.379 0.582 20 0 BCADHO CCC[C@H](O)CCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905585712 637855413 /nfs/dbraw/zinc/85/54/13/637855413.db2.gz AITSJCNQWVXHOD-QWHCGFSZSA-N 1 3 244.379 0.582 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000906091385 638048350 /nfs/dbraw/zinc/04/83/50/638048350.db2.gz FBNOQJRCJYOQOT-AXFHLTTASA-N 1 3 227.352 0.474 20 0 BCADHO CC(C)C[C@@H](N)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000906097209 638053756 /nfs/dbraw/zinc/05/37/56/638053756.db2.gz MISBGPLCMRCVEX-NQBHXWOUSA-N 1 3 239.363 0.700 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911628277 639687550 /nfs/dbraw/zinc/68/75/50/639687550.db2.gz LMFKJGDGJIIKPZ-GXSJLCMTSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670366 639697351 /nfs/dbraw/zinc/69/73/51/639697351.db2.gz KNPLWYDEBWSCFV-JQWIXIFHSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911655931 639712732 /nfs/dbraw/zinc/71/27/32/639712732.db2.gz LVJDXKLFVSLYAI-AXFHLTTASA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656367 639712994 /nfs/dbraw/zinc/71/29/94/639712994.db2.gz LVJDXKLFVSLYAI-GARJFASQSA-N 1 3 227.352 0.570 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCCC[NH2+]C ZINC000911677809 639719511 /nfs/dbraw/zinc/71/95/11/639719511.db2.gz SVWVXEJVIMRNEO-VHSXEESVSA-N 1 3 215.341 0.476 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708636 639761110 /nfs/dbraw/zinc/76/11/10/639761110.db2.gz XUIZCTWDTDSYOW-TUAOUCFPSA-N 1 3 241.379 0.947 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751561 639779162 /nfs/dbraw/zinc/77/91/62/639779162.db2.gz MDZLPPVWHWGADO-AXFHLTTASA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000911752111 639779866 /nfs/dbraw/zinc/77/98/66/639779866.db2.gz JZXKVEZGVDZCTP-ONGXEEELSA-N 1 3 227.352 0.618 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911767999 639793062 /nfs/dbraw/zinc/79/30/62/639793062.db2.gz NXIKFVIGBWYXHZ-QJPTWQEYSA-N 1 3 241.379 0.866 20 0 BCADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911773082 639796123 /nfs/dbraw/zinc/79/61/23/639796123.db2.gz AKIGAAKHYAYZSL-QJPTWQEYSA-N 1 3 241.379 0.818 20 0 BCADHO C[NH2+]C1(C(=O)N2C[C@H](C)N[C@@H](C)C2)CCC1 ZINC000911793884 639806976 /nfs/dbraw/zinc/80/69/76/639806976.db2.gz DNOMTDVEQRQVCK-UWVGGRQHSA-N 1 3 225.336 0.337 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801645 639824724 /nfs/dbraw/zinc/82/47/24/639824724.db2.gz FJRQUYNXJPMFBE-GAFUQQFSSA-N 1 3 241.379 0.994 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911816566 639848668 /nfs/dbraw/zinc/84/86/68/639848668.db2.gz BVZZNIVBHRMSNA-YFKTTZPYSA-N 1 3 241.379 0.946 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845143 639855418 /nfs/dbraw/zinc/85/54/18/639855418.db2.gz HLPYJKGEYROCPU-SNVBAGLBSA-N 1 3 227.352 0.713 20 0 BCADHO CC1(C)CNCCN1C(=O)C1=CCC[NH2+]CC1 ZINC000911847188 639856108 /nfs/dbraw/zinc/85/61/08/639856108.db2.gz LZEYRCAZULTSDZ-UHFFFAOYSA-N 1 3 237.347 0.507 20 0 BCADHO CC[C@H](C)C[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911847436 639856280 /nfs/dbraw/zinc/85/62/80/639856280.db2.gz WPLOEAXKKGQRQQ-IUCAKERBSA-N 1 3 215.341 0.603 20 0 BCADHO CC[C@@H](C)C[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911847434 639856561 /nfs/dbraw/zinc/85/65/61/639856561.db2.gz WPLOEAXKKGQRQQ-BDAKNGLRSA-N 1 3 215.341 0.603 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCNCC1(C)C ZINC000911848358 639858439 /nfs/dbraw/zinc/85/84/39/639858439.db2.gz SHHKMTWUBWJLBU-GHMZBOCLSA-N 1 3 239.363 0.442 20 0 BCADHO CO[C@H]1C[C@@H](CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931276427 640126789 /nfs/dbraw/zinc/12/67/89/640126789.db2.gz HZJGHCXFGFSICP-CXYFJQCHSA-N 1 3 224.348 0.903 20 0 BCADHO COCC(COC)[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000931548314 640268443 /nfs/dbraw/zinc/26/84/43/640268443.db2.gz IEESKNSQAJRMGQ-YPMHNXCESA-N 1 3 242.363 0.674 20 0 BCADHO COCC(COC)[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000931548314 640268450 /nfs/dbraw/zinc/26/84/50/640268450.db2.gz IEESKNSQAJRMGQ-YPMHNXCESA-N 1 3 242.363 0.674 20 0 BCADHO C[NH+]1CCC(CNCc2ncc[nH]2)CC1 ZINC000044517152 640400030 /nfs/dbraw/zinc/40/00/30/640400030.db2.gz TULUCQMFYWDOHB-UHFFFAOYSA-N 1 3 208.309 0.841 20 0 BCADHO O=C1CN(CCC2CC[NH2+]CC2)CCCN1 ZINC000157617132 640695838 /nfs/dbraw/zinc/69/58/38/640695838.db2.gz JHAFMJPZNPFXOX-UHFFFAOYSA-N 1 3 225.336 0.198 20 0 BCADHO C[C@H](O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891940 640712388 /nfs/dbraw/zinc/71/23/88/640712388.db2.gz MRFTYXKMWQVWNS-TUAOUCFPSA-N 1 3 212.337 0.831 20 0 BCADHO CO[C@H](C)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732199 640755220 /nfs/dbraw/zinc/75/52/20/640755220.db2.gz MSIONPQQGXZBMB-GRYCIOLGSA-N 1 3 212.337 0.905 20 0 BCADHO CO[C@H](C)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732199 640755219 /nfs/dbraw/zinc/75/52/19/640755219.db2.gz MSIONPQQGXZBMB-GRYCIOLGSA-N 1 3 212.337 0.905 20 0 BCADHO CN1C[C@@H]2C[N@H+](CCn3ccnc3)C[C@]2(C)C1 ZINC000933736196 640756047 /nfs/dbraw/zinc/75/60/47/640756047.db2.gz SIQLFQQJSPUMFA-OLZOCXBDSA-N 1 3 234.347 0.767 20 0 BCADHO CN1C[C@@H]2C[N@@H+](CCn3ccnc3)C[C@]2(C)C1 ZINC000933736196 640756048 /nfs/dbraw/zinc/75/60/48/640756048.db2.gz SIQLFQQJSPUMFA-OLZOCXBDSA-N 1 3 234.347 0.767 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000227915094 640854042 /nfs/dbraw/zinc/85/40/42/640854042.db2.gz VYKKFQFUNNOQQK-FRRDWIJNSA-N 1 3 224.348 0.974 20 0 BCADHO O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000227915094 640854044 /nfs/dbraw/zinc/85/40/44/640854044.db2.gz VYKKFQFUNNOQQK-FRRDWIJNSA-N 1 3 224.348 0.974 20 0 BCADHO Cn1nccc1CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000230772646 641094005 /nfs/dbraw/zinc/09/40/05/641094005.db2.gz OXUNMHZFNFEIOW-WDEREUQCSA-N 1 3 222.336 0.822 20 0 BCADHO C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC000913760942 641467926 /nfs/dbraw/zinc/46/79/26/641467926.db2.gz UJWGLDYEHQOEMF-ZYHUDNBSSA-N 1 3 248.330 0.505 20 0 BCADHO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC000913760942 641467936 /nfs/dbraw/zinc/46/79/36/641467936.db2.gz UJWGLDYEHQOEMF-ZYHUDNBSSA-N 1 3 248.330 0.505 20 0 BCADHO CC[C@H](C(N)=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000714440354 711505766 /nfs/dbraw/zinc/50/57/66/711505766.db2.gz SVWYHDOHACVSDO-LLVKDONJSA-N 1 3 241.379 0.947 20 0 BCADHO COC[C@H](O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000225468769 641710174 /nfs/dbraw/zinc/71/01/74/641710174.db2.gz ITYHMKRSPRLNGQ-GMTAPVOTSA-N 1 3 216.325 0.053 20 0 BCADHO CCOC[C@@H](O)CN1CCC[C@@H](C[NH3+])C1 ZINC000225865718 641712360 /nfs/dbraw/zinc/71/23/60/641712360.db2.gz CISVCRYDICWQSD-QWRGUYRKSA-N 1 3 216.325 0.055 20 0 BCADHO CN1CCC[C@H](NC(=S)NCC[NH+](C)C)C1 ZINC000918720102 642257589 /nfs/dbraw/zinc/25/75/89/642257589.db2.gz SNCMURBJHBPGKZ-JTQLQIEISA-N 1 3 244.408 0.106 20 0 BCADHO CN1CC[C@@H](NC(=S)NCCC[NH+](C)C)C1 ZINC000919717433 642380348 /nfs/dbraw/zinc/38/03/48/642380348.db2.gz HFWXJLXJTWDYAH-SNVBAGLBSA-N 1 3 244.408 0.106 20 0 BCADHO CCO[C@H]1C[C@@H](NCC2C[NH2+]C2)C1(C)C ZINC000233770282 642694727 /nfs/dbraw/zinc/69/47/27/642694727.db2.gz FVODGPPAXXBNJI-MNOVXSKESA-N 1 3 212.337 0.999 20 0 BCADHO CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967923936 642805164 /nfs/dbraw/zinc/80/51/64/642805164.db2.gz CJVBALHJRRXTKT-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)N ZINC000068890905 642806302 /nfs/dbraw/zinc/80/63/02/642806302.db2.gz JRAGREYLGPEALV-VWYCJHECSA-N 1 3 216.325 0.195 20 0 BCADHO COC[C@@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)N ZINC000068890905 642806305 /nfs/dbraw/zinc/80/63/05/642806305.db2.gz JRAGREYLGPEALV-VWYCJHECSA-N 1 3 216.325 0.195 20 0 BCADHO CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019337698 643029470 /nfs/dbraw/zinc/02/94/70/643029470.db2.gz WMMPXVGSEMJLPO-NWDGAFQWSA-N 1 3 241.379 0.783 20 0 BCADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019437718 643034595 /nfs/dbraw/zinc/03/45/95/643034595.db2.gz XOWRNUZQXACCEL-NSHDSACASA-N 1 3 248.330 0.553 20 0 BCADHO C[C@@H]([NH3+])CC(=O)NCCN1CCCCC1 ZINC000049575510 643089717 /nfs/dbraw/zinc/08/97/17/643089717.db2.gz ZLTLGNVOLBAXDP-SNVBAGLBSA-N 1 3 213.325 0.326 20 0 BCADHO CN(C)CCN(C)C(=O)CC[NH2+]C(C)(C)C ZINC000082541618 643339850 /nfs/dbraw/zinc/33/98/50/643339850.db2.gz UTSKFZMLWHHBEZ-UHFFFAOYSA-N 1 3 229.368 0.785 20 0 BCADHO C[NH2+]CC1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000082681387 643368011 /nfs/dbraw/zinc/36/80/11/643368011.db2.gz PDISPTKMNJBUGA-VIFPVBQESA-N 1 3 240.269 0.841 20 0 BCADHO C[NH+](C)CCOCCNCc1ccc(F)nc1 ZINC000788072258 643558671 /nfs/dbraw/zinc/55/86/71/643558671.db2.gz RGNLNWROUGYRDT-UHFFFAOYSA-N 1 3 241.310 0.889 20 0 BCADHO CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999490773 643736953 /nfs/dbraw/zinc/73/69/53/643736953.db2.gz SJGZFNNJDABBBA-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO CC[C@H](CO)[NH+]1CCC(N(C)C)CC1 ZINC000929264419 643865756 /nfs/dbraw/zinc/86/57/56/643865756.db2.gz SBWMGTLIEUNKRA-SNVBAGLBSA-N 1 3 200.326 0.783 20 0 BCADHO Cc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cn1 ZINC000360715166 644003846 /nfs/dbraw/zinc/00/38/46/644003846.db2.gz ROABLPRDYPBSFL-UHFFFAOYSA-N 1 3 249.358 0.936 20 0 BCADHO CCO[C@H](C[NH2+][C@H]1CN(C)C[C@@H]1C)CN(C)C ZINC000922757767 644086954 /nfs/dbraw/zinc/08/69/54/644086954.db2.gz LSVRYJJIQSCPBN-XQQFMLRXSA-N 1 3 243.395 0.493 20 0 BCADHO CCO[C@H](C[NH2+][C@H]1CN(C)C[C@H]1C)CN(C)C ZINC000922757766 644087865 /nfs/dbraw/zinc/08/78/65/644087865.db2.gz LSVRYJJIQSCPBN-UPJWGTAASA-N 1 3 243.395 0.493 20 0 BCADHO CCOC[C@H](O)CN(C)CC(C)(C)C[NH3+] ZINC000086638472 644159043 /nfs/dbraw/zinc/15/90/43/644159043.db2.gz WAHPEFICSZQMIK-SNVBAGLBSA-N 1 3 218.341 0.301 20 0 BCADHO CSC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923288970 644322984 /nfs/dbraw/zinc/32/29/84/644322984.db2.gz NGLNVBOQDKMGBI-OPRDCNLKSA-N 1 3 218.366 0.379 20 0 BCADHO CC(C)OCC[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923279385 644313014 /nfs/dbraw/zinc/31/30/14/644313014.db2.gz NDBAFFPQVXRXIJ-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)OCC[C@H](O)C[N@H+](C)C1CCNCC1 ZINC000923279385 644313017 /nfs/dbraw/zinc/31/30/17/644313017.db2.gz NDBAFFPQVXRXIJ-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO CC(C)OCC[C@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923279385 644313019 /nfs/dbraw/zinc/31/30/19/644313019.db2.gz NDBAFFPQVXRXIJ-ZDUSSCGKSA-N 1 3 244.379 0.846 20 0 BCADHO CN(CCC[NH3+])C[C@H](O)Cc1ccccc1 ZINC000923290368 644322926 /nfs/dbraw/zinc/32/29/26/644322926.db2.gz IILKGGGTFSUHGM-CYBMUJFWSA-N 1 3 222.332 0.871 20 0 BCADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)Cn1cccn1 ZINC000923295803 644333254 /nfs/dbraw/zinc/33/32/54/644333254.db2.gz HSBLRNHVWIOLJO-VXGBXAGGSA-N 1 3 240.351 0.207 20 0 BCADHO CC(C)COC[C@@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296312 644334869 /nfs/dbraw/zinc/33/48/69/644334869.db2.gz QKJHHLKWURZEMJ-STQMWFEESA-N 1 3 244.379 0.737 20 0 BCADHO CC(C)COC[C@H](O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000923296309 644335639 /nfs/dbraw/zinc/33/56/39/644335639.db2.gz QKJHHLKWURZEMJ-OLZOCXBDSA-N 1 3 244.379 0.737 20 0 BCADHO CCO[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923306891 644338144 /nfs/dbraw/zinc/33/81/44/644338144.db2.gz VSJXDFCYTBQJQW-BJDJZHNGSA-N 1 3 228.336 0.338 20 0 BCADHO C[C@H]1CSCCN1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315292 644343667 /nfs/dbraw/zinc/34/36/67/644343667.db2.gz FWHFWNPRZMMCTG-QWRGUYRKSA-N 1 3 242.388 0.802 20 0 BCADHO C[C@@H]1CSCCN1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315290 644344330 /nfs/dbraw/zinc/34/43/30/644344330.db2.gz FWHFWNPRZMMCTG-GHMZBOCLSA-N 1 3 242.388 0.802 20 0 BCADHO CC(C)[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCS1 ZINC000923315654 644345138 /nfs/dbraw/zinc/34/51/38/644345138.db2.gz XJNAVEGKPDITHD-FIQHERPVSA-N 1 3 244.404 0.910 20 0 BCADHO NC(=O)C[C@@H]1CCCCN1CCC[NH2+]C1CC1 ZINC000923309177 644347077 /nfs/dbraw/zinc/34/70/77/644347077.db2.gz LWMPFMRHGYGPFR-LBPRGKRZSA-N 1 3 239.363 0.858 20 0 BCADHO CCOC[C@@H](O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000923336168 644356594 /nfs/dbraw/zinc/35/65/94/644356594.db2.gz QXUKSJMTTMFRKX-OLZOCXBDSA-N 1 3 244.379 0.848 20 0 BCADHO CCOC[C@@H](O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000923336170 644357318 /nfs/dbraw/zinc/35/73/18/644357318.db2.gz QXUKSJMTTMFRKX-STQMWFEESA-N 1 3 244.379 0.848 20 0 BCADHO CCOCC[C@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923357680 644367235 /nfs/dbraw/zinc/36/72/35/644367235.db2.gz ZWCSCAWZYUGUBM-NWDGAFQWSA-N 1 3 230.352 0.445 20 0 BCADHO CCOC[C@H](O)CN[C@H](C[NH3+])C(C)(C)C ZINC000923367591 644379461 /nfs/dbraw/zinc/37/94/61/644379461.db2.gz IJJDXAZJUWLRQY-NXEZZACHSA-N 1 3 218.341 0.347 20 0 BCADHO NCC(C[NH3+])NCc1c(Cl)cncc1Cl ZINC000923358764 644368296 /nfs/dbraw/zinc/36/82/96/644368296.db2.gz HQDAPTSGVJWOEG-UHFFFAOYSA-N 1 3 249.145 0.764 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1c(F)cccc1F ZINC000923352609 644368714 /nfs/dbraw/zinc/36/87/14/644368714.db2.gz YHXGCZUTYIYJIH-SSDOTTSWSA-N 1 3 229.274 0.901 20 0 BCADHO CC(C)COC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923354254 644368921 /nfs/dbraw/zinc/36/89/21/644368921.db2.gz BAQUTOMSDNEPBH-QWHCGFSZSA-N 1 3 244.379 0.691 20 0 BCADHO CN(C)c1ccccc1CNC(CN)C[NH3+] ZINC000923353824 644369560 /nfs/dbraw/zinc/36/95/60/644369560.db2.gz BCNJUQCZEQITPO-UHFFFAOYSA-N 1 3 222.336 0.128 20 0 BCADHO NCC(C[NH3+])NCc1ccc(-n2cccn2)cc1 ZINC000923352364 644369836 /nfs/dbraw/zinc/36/98/36/644369836.db2.gz VZDMVPNPXBLFBQ-UHFFFAOYSA-N 1 3 245.330 0.248 20 0 BCADHO Cc1ccc2nc(CNC(CN)C[NH3+])cn2c1 ZINC000923353864 644369910 /nfs/dbraw/zinc/36/99/10/644369910.db2.gz DDTGKLNMVLQJKZ-UHFFFAOYSA-N 1 3 233.319 0.018 20 0 BCADHO CSC[C@@H](O)CN1CC[C@](C)(C[NH3+])C1 ZINC000923355103 644373156 /nfs/dbraw/zinc/37/31/56/644373156.db2.gz GSSSWCWRQOEIQZ-VHSXEESVSA-N 1 3 218.366 0.381 20 0 BCADHO CC(C)OC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000923371275 644382734 /nfs/dbraw/zinc/38/27/34/644382734.db2.gz WTADKBGOHUEWRW-NWDGAFQWSA-N 1 3 244.379 0.750 20 0 BCADHO CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000923371275 644382741 /nfs/dbraw/zinc/38/27/41/644382741.db2.gz WTADKBGOHUEWRW-NWDGAFQWSA-N 1 3 244.379 0.750 20 0 BCADHO NCC(C[NH3+])NCc1ncc(Cl)s1 ZINC000923359269 644384092 /nfs/dbraw/zinc/38/40/92/644384092.db2.gz ORRTUMXZWDMREG-UHFFFAOYSA-N 1 3 220.729 0.172 20 0 BCADHO CCOC[C@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923371634 644384108 /nfs/dbraw/zinc/38/41/08/644384108.db2.gz CNYKXHAZTFZBLG-OLZOCXBDSA-N 1 3 244.379 0.881 20 0 BCADHO COC[C@H](O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000923372975 644388715 /nfs/dbraw/zinc/38/87/15/644388715.db2.gz KQHLXIGDHVXCKO-NEPJUHHUSA-N 1 3 230.352 0.491 20 0 BCADHO CCOCCOCCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000923375414 644389113 /nfs/dbraw/zinc/38/91/13/644389113.db2.gz LVOZQISSKGUXPM-CHWSQXEVSA-N 1 3 244.379 0.956 20 0 BCADHO CCOCCOCCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000923375415 644389966 /nfs/dbraw/zinc/38/99/66/644389966.db2.gz LVOZQISSKGUXPM-OLZOCXBDSA-N 1 3 244.379 0.956 20 0 BCADHO CSC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000923388744 644402533 /nfs/dbraw/zinc/40/25/33/644402533.db2.gz UKMADBZACLNDDT-SRVKXCTJSA-N 1 3 244.404 0.771 20 0 BCADHO CSC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000923388744 644402539 /nfs/dbraw/zinc/40/25/39/644402539.db2.gz UKMADBZACLNDDT-SRVKXCTJSA-N 1 3 244.404 0.771 20 0 BCADHO CCOCC[C@H](O)C[N@@H+]1CCCCC[C@H](N)C1 ZINC000923412647 644413400 /nfs/dbraw/zinc/41/34/00/644413400.db2.gz RYRJGHWVBNMZKV-STQMWFEESA-N 1 3 244.379 0.977 20 0 BCADHO CCOCC[C@H](O)C[N@H+]1CCCCC[C@H](N)C1 ZINC000923412647 644413404 /nfs/dbraw/zinc/41/34/04/644413404.db2.gz RYRJGHWVBNMZKV-STQMWFEESA-N 1 3 244.379 0.977 20 0 BCADHO CSC[C@H](O)C[N@@H+]1CCNCCC1(C)C ZINC000923413856 644416474 /nfs/dbraw/zinc/41/64/74/644416474.db2.gz IVUVMCWTZRPTIK-SNVBAGLBSA-N 1 3 232.393 0.784 20 0 BCADHO CSC[C@H](O)C[N@H+]1CCNCCC1(C)C ZINC000923413856 644416477 /nfs/dbraw/zinc/41/64/77/644416477.db2.gz IVUVMCWTZRPTIK-SNVBAGLBSA-N 1 3 232.393 0.784 20 0 BCADHO CC(C)[C@H]1CN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1C ZINC000923415555 644417587 /nfs/dbraw/zinc/41/75/87/644417587.db2.gz QSWCJNSKLAESEJ-RVMXOQNASA-N 1 3 241.379 0.109 20 0 BCADHO CC(C)OC[C@H](O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000923423606 644418360 /nfs/dbraw/zinc/41/83/60/644418360.db2.gz XWXDQUZLHZUWFC-OUAUKWLOSA-N 1 3 230.352 0.488 20 0 BCADHO CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](N)C1(C)C ZINC000923423606 644418364 /nfs/dbraw/zinc/41/83/64/644418364.db2.gz XWXDQUZLHZUWFC-OUAUKWLOSA-N 1 3 230.352 0.488 20 0 BCADHO CCO[C@@H](C[NH+]1CCNCCNCC1)C1CC1 ZINC000923459758 644436039 /nfs/dbraw/zinc/43/60/39/644436039.db2.gz FPQVPTFQTSJODX-ZDUSSCGKSA-N 1 3 241.379 0.296 20 0 BCADHO CCO[C@@H](CN1CCNCC[NH2+]CC1)C1CC1 ZINC000923459758 644436042 /nfs/dbraw/zinc/43/60/42/644436042.db2.gz FPQVPTFQTSJODX-ZDUSSCGKSA-N 1 3 241.379 0.296 20 0 BCADHO C[C@H]1CC[C@H](CN2CCNCC[NH2+]CC2)O1 ZINC000923460365 644437142 /nfs/dbraw/zinc/43/71/42/644437142.db2.gz MSFGPUGFOPXOOJ-NWDGAFQWSA-N 1 3 227.352 0.049 20 0 BCADHO c1ccc(CC[NH+]2CCNCCNCC2)cc1 ZINC000923460043 644437437 /nfs/dbraw/zinc/43/74/37/644437437.db2.gz KWTVPBVEGOWZOP-UHFFFAOYSA-N 1 3 233.359 0.724 20 0 BCADHO C[C@@H]1CC[C@@H](CN2CCNCC[NH2+]CC2)O1 ZINC000923460363 644438224 /nfs/dbraw/zinc/43/82/24/644438224.db2.gz MSFGPUGFOPXOOJ-NEPJUHHUSA-N 1 3 227.352 0.049 20 0 BCADHO c1cc(CCCN2CCNCC[NH2+]CC2)ccn1 ZINC000923459388 644440615 /nfs/dbraw/zinc/44/06/15/644440615.db2.gz HREDNBNUQBHPQP-UHFFFAOYSA-N 1 3 248.374 0.509 20 0 BCADHO Cc1cccc(CN2CCNCC[NH2+]CC2)c1 ZINC000923464554 644443807 /nfs/dbraw/zinc/44/38/07/644443807.db2.gz PIGCLSYDMMHUHU-UHFFFAOYSA-N 1 3 233.359 0.990 20 0 BCADHO Nc1cccc(CN2CCNCC[NH2+]CC2)c1 ZINC000923462243 644445402 /nfs/dbraw/zinc/44/54/02/644445402.db2.gz GIZQRFRHNBPYNS-UHFFFAOYSA-N 1 3 234.347 0.264 20 0 BCADHO Cc1nc([C@@H](C)N2CC[C@H](CC[NH3+])C2)n[nH]1 ZINC000923480591 644458860 /nfs/dbraw/zinc/45/88/60/644458860.db2.gz JNYGTTAVJSGOBN-SCZZXKLOSA-N 1 3 223.324 0.845 20 0 BCADHO CCOCC[C@@H](O)CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515990 644479731 /nfs/dbraw/zinc/47/97/31/644479731.db2.gz PVBBUKKYVODMSD-YNEHKIRRSA-N 1 3 242.363 0.315 20 0 BCADHO CCOC[C@@H](O)CN1CCCC[C@H]1CC[NH3+] ZINC000250465316 644760262 /nfs/dbraw/zinc/76/02/62/644760262.db2.gz BEJWFVPVESHPKU-RYUDHWBXSA-N 1 3 230.352 0.587 20 0 BCADHO N[C@H](CC1CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000304354087 644895371 /nfs/dbraw/zinc/89/53/71/644895371.db2.gz LGTVDTCCPSYAEK-VQXHTEKXSA-N 1 3 225.336 0.500 20 0 BCADHO C[NH+](C)C(C)(C)CNC(=O)[C@@H](N)CC1CC1 ZINC000304349740 644895810 /nfs/dbraw/zinc/89/58/10/644895810.db2.gz KHXDHNYTDFPDQS-JTQLQIEISA-N 1 3 227.352 0.570 20 0 BCADHO CCOC[C@H](O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252795134 644907630 /nfs/dbraw/zinc/90/76/30/644907630.db2.gz ZYFJCQAREHTESE-HBNTYKKESA-N 1 3 216.325 0.053 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000926768870 645414585 /nfs/dbraw/zinc/41/45/85/645414585.db2.gz FGIUZEPBBXSZNC-ZSLJRAHMSA-N 1 3 224.348 0.687 20 0 BCADHO CN1C[C@H]2CC[C@@H](C1)C2[NH2+]CC[C@@H](O)C(F)F ZINC000926782442 645428909 /nfs/dbraw/zinc/42/89/09/645428909.db2.gz BEXRQGLHJLANNW-GZBOUJLJSA-N 1 3 248.317 0.932 20 0 BCADHO C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C ZINC000928427401 645743633 /nfs/dbraw/zinc/74/36/33/645743633.db2.gz JYPJTXNQMRDZSE-WDEREUQCSA-N 1 3 237.347 0.291 20 0 BCADHO CC[C@@H]1CN(C(=O)[C@@H](N)CC2CC2)CC[C@H]1[NH3+] ZINC000884270018 645872125 /nfs/dbraw/zinc/87/21/25/645872125.db2.gz DVSBOQARJZHLES-UTUOFQBUSA-N 1 3 239.363 0.700 20 0 BCADHO CC1(NC(=O)[C@H](N)CC2CC2)CC[NH2+]CC1 ZINC000884270476 645872890 /nfs/dbraw/zinc/87/28/90/645872890.db2.gz MWYQEAHZBFFFGL-SNVBAGLBSA-N 1 3 225.336 0.372 20 0 BCADHO C[NH2+]CCCN(C)C[C@@H]1C[C@@]12CCOC2 ZINC000886839578 645891030 /nfs/dbraw/zinc/89/10/30/645891030.db2.gz HWDQSDCQHRMFPZ-NWDGAFQWSA-N 1 3 212.337 0.954 20 0 BCADHO CC1(C)C[C@H]([NH3+])C[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000925534561 646320485 /nfs/dbraw/zinc/32/04/85/646320485.db2.gz MXGPDVMWYKKBPG-MXWKQRLJSA-N 1 3 239.363 0.761 20 0 BCADHO C[C@H]1NCCC[C@@H]1[NH2+]CCNc1cnccn1 ZINC000925555724 646331728 /nfs/dbraw/zinc/33/17/28/646331728.db2.gz ITHDAOYJGCGADS-MNOVXSKESA-N 1 3 235.335 0.619 20 0 BCADHO CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C1(C)C ZINC000925565736 646332287 /nfs/dbraw/zinc/33/22/87/646332287.db2.gz XKHSXDNVUZCYFI-MNOVXSKESA-N 1 3 211.353 0.811 20 0 BCADHO CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925564140 646337708 /nfs/dbraw/zinc/33/77/08/646337708.db2.gz HKCBGDJCVFSZLG-NEPJUHHUSA-N 1 3 223.364 0.955 20 0 BCADHO CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925564145 646338254 /nfs/dbraw/zinc/33/82/54/646338254.db2.gz HKCBGDJCVFSZLG-VXGBXAGGSA-N 1 3 223.364 0.955 20 0 BCADHO CN1C[C@H](N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1=O ZINC000925593105 646349138 /nfs/dbraw/zinc/34/91/38/646349138.db2.gz CVSJVYXWBLRGJY-GMTAPVOTSA-N 1 3 239.363 0.713 20 0 BCADHO C1=CC[C@@H](CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925618610 646365966 /nfs/dbraw/zinc/36/59/66/646365966.db2.gz XAAMUQIOZJXWJV-NEPJUHHUSA-N 1 3 210.321 0.921 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1NC[C@@H](CO)[C@H]1CCOC1 ZINC000925656372 646393829 /nfs/dbraw/zinc/39/38/29/646393829.db2.gz NJNARIUYYAQZPA-CYDGBPFRSA-N 1 3 242.363 0.362 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000925686351 646412963 /nfs/dbraw/zinc/41/29/63/646412963.db2.gz UNXGRQFNXGKKBG-MMWGEVLESA-N 1 3 225.336 0.371 20 0 BCADHO CC1(C)C[C@@H](N[C@@H]2COC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925691361 646416149 /nfs/dbraw/zinc/41/61/49/646416149.db2.gz MWZPLYNBIKNUKC-LMLFDSFASA-N 1 3 228.336 0.242 20 0 BCADHO C1[C@H]2CC[C@@H](N[C@@H]3C[NH2+]CCOC3)C[C@@H]12 ZINC000925706267 646430993 /nfs/dbraw/zinc/43/09/93/646430993.db2.gz BVWFMQCJIVYJJM-DDHJBXDOSA-N 1 3 210.321 0.753 20 0 BCADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000930094515 646431366 /nfs/dbraw/zinc/43/13/66/646431366.db2.gz KIZGVWCBLMOUFH-VXGBXAGGSA-N 1 3 241.379 0.926 20 0 BCADHO C[C@@H]1NCCC[C@H]1[NH2+]C[C@@H]1CCNCC1(F)F ZINC000925711810 646437711 /nfs/dbraw/zinc/43/77/11/646437711.db2.gz RZRCHZLEAOFVSQ-GARJFASQSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1[NH2+]CCC[C@H]1NC[C@@H]1CCNCC1(F)F ZINC000925711810 646437714 /nfs/dbraw/zinc/43/77/14/646437714.db2.gz RZRCHZLEAOFVSQ-GARJFASQSA-N 1 3 247.333 0.961 20 0 BCADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2C)[C@@H](C)O1 ZINC000925783092 646479210 /nfs/dbraw/zinc/47/92/10/646479210.db2.gz BXRPZZNEUOGUPW-JCIQBVFBSA-N 1 3 212.337 0.997 20 0 BCADHO C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000925781848 646479645 /nfs/dbraw/zinc/47/96/45/646479645.db2.gz GTVSMFXSQJUOEP-LYIQGSDWSA-N 1 3 223.364 0.667 20 0 BCADHO NC(=O)CC1CC(N[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925825338 646498520 /nfs/dbraw/zinc/49/85/20/646498520.db2.gz ZDOGBUFMRVXGAM-MMVSWEMESA-N 1 3 239.363 0.890 20 0 BCADHO C1=C[C@@H](C[NH2+]C2CCNCC2)[C@H]2CO[C@@H]1C2 ZINC000925829690 646499686 /nfs/dbraw/zinc/49/96/86/646499686.db2.gz FVJXPLRRZJPTDW-LOWVWBTDSA-N 1 3 222.332 0.919 20 0 BCADHO C(CO[C@@H]1CCOC1)N[C@H]1CCC[NH2+]CC1 ZINC000925876165 646525453 /nfs/dbraw/zinc/52/54/53/646525453.db2.gz XYMDWJRFCXNSLY-NWDGAFQWSA-N 1 3 228.336 0.524 20 0 BCADHO Cc1cn(C)nc1CN1CC[C@H](CC[NH3+])C1 ZINC000724001346 711554197 /nfs/dbraw/zinc/55/41/97/711554197.db2.gz LWDIILIHWFCFFO-NSHDSACASA-N 1 3 222.336 0.899 20 0 BCADHO NCC(C[NH3+])NCc1cc(Cl)nc(Cl)c1 ZINC000381577447 711673157 /nfs/dbraw/zinc/67/31/57/711673157.db2.gz YVOZIQFFEXXLCZ-UHFFFAOYSA-N 1 3 249.145 0.764 20 0 BCADHO C[C@H]1[NH2+]CCC[C@H]1NCCN1CCCC1 ZINC000396587943 711702366 /nfs/dbraw/zinc/70/23/66/711702366.db2.gz IIKCTHZRXHPHSO-VXGBXAGGSA-N 1 3 211.353 0.812 20 0 BCADHO CCOC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226030398 711829949 /nfs/dbraw/zinc/82/99/49/711829949.db2.gz WOUNUJHSEBOHDR-QJPTWQEYSA-N 1 3 230.352 0.443 20 0 BCADHO COC(=O)N(C)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000701925305 712033638 /nfs/dbraw/zinc/03/36/38/712033638.db2.gz SOOLNOWZAXZELI-WDEREUQCSA-N 1 3 243.351 0.792 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000701925305 712033639 /nfs/dbraw/zinc/03/36/39/712033639.db2.gz SOOLNOWZAXZELI-WDEREUQCSA-N 1 3 243.351 0.792 20 0 BCADHO CC[C@H](O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709996064 712238851 /nfs/dbraw/zinc/23/88/51/712238851.db2.gz LNKSSCJEVLGRSD-RYUDHWBXSA-N 1 3 212.337 0.833 20 0 BCADHO C[C@@H]1COC[C@H]1[NH2+]CC1(O)CCN(C)CC1 ZINC000710845024 712258525 /nfs/dbraw/zinc/25/85/25/712258525.db2.gz MFVASIATTOFYQP-GHMZBOCLSA-N 1 3 228.336 0.068 20 0 BCADHO CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000711308649 712294045 /nfs/dbraw/zinc/29/40/45/712294045.db2.gz AWDXRIUKKSEMHF-QWRGUYRKSA-N 1 3 239.363 0.442 20 0 BCADHO C[N@@H+]1CCN(C(=O)C2(N)CC2)CCC1(C)C ZINC000712667975 712439899 /nfs/dbraw/zinc/43/98/99/712439899.db2.gz GJYIZUCQXSILOJ-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO C[N@H+]1CCN(C(=O)C2(N)CC2)CCC1(C)C ZINC000712667975 712439900 /nfs/dbraw/zinc/43/99/00/712439900.db2.gz GJYIZUCQXSILOJ-UHFFFAOYSA-N 1 3 225.336 0.420 20 0 BCADHO NC(=O)CC1CC(N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000718554180 712769483 /nfs/dbraw/zinc/76/94/83/712769483.db2.gz STNYQWITBKZZHO-TVUZUIDESA-N 1 3 237.347 0.500 20 0 BCADHO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720896711 712876311 /nfs/dbraw/zinc/87/63/11/712876311.db2.gz DHSIGCVARHPOKH-QJPTWQEYSA-N 1 3 239.363 0.665 20 0 BCADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C(C)(C)[NH3+] ZINC000720896458 712876431 /nfs/dbraw/zinc/87/64/31/712876431.db2.gz DGHKLVVFSITYJB-VHSXEESVSA-N 1 3 225.336 0.419 20 0 BCADHO C[NH2+]C[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000720904915 712877530 /nfs/dbraw/zinc/87/75/30/712877530.db2.gz XSTFVFIQPBRWPL-SDDRHHMPSA-N 1 3 239.363 0.537 20 0 BCADHO C[C@@H](NC(CN)C[NH3+])c1ccc(F)cc1 ZINC000381267703 710615022 /nfs/dbraw/zinc/61/50/22/710615022.db2.gz UPUWXLKEKPVFSX-MRVPVSSYSA-N 1 3 211.284 0.762 20 0 BCADHO C[C@H](N[C@H]1CCN(C)C1)[C@H]1CCCC[NH2+]1 ZINC000386183631 711025612 /nfs/dbraw/zinc/02/56/12/711025612.db2.gz YMMVWWHRWSOOEM-SDDRHHMPSA-N 1 3 211.353 0.811 20 0 BCADHO CN1CCC[C@H]1CC[NH2+][C@H](CO)C1CC1 ZINC000389985829 711102443 /nfs/dbraw/zinc/10/24/43/711102443.db2.gz LZVHFUCVNDBHJO-NWDGAFQWSA-N 1 3 212.337 0.831 20 0 BCADHO CC1(C)C(=O)NCCN1C[C@@H]1CC[C@H]([NH3+])C1 ZINC000381022285 710596568 /nfs/dbraw/zinc/59/65/68/710596568.db2.gz WRHZSLXDXRCTFC-ZJUUUORDSA-N 1 3 225.336 0.324 20 0 BCADHO CCOC[C@@H](O)CN[C@@H]1CC[NH2+]CC1(C)C ZINC000381258007 710613077 /nfs/dbraw/zinc/61/30/77/710613077.db2.gz QTXMCKCHXJCDBQ-WDEREUQCSA-N 1 3 230.352 0.362 20 0 BCADHO CCOC[C@@H](O)C[NH2+][C@@H]1CCNCC1(C)C ZINC000381258007 710613081 /nfs/dbraw/zinc/61/30/81/710613081.db2.gz QTXMCKCHXJCDBQ-WDEREUQCSA-N 1 3 230.352 0.362 20 0 BCADHO NCC(C[NH3+])NCc1ccc(F)cc1F ZINC000381422468 710635305 /nfs/dbraw/zinc/63/53/05/710635305.db2.gz WEXWILDHNZVYFO-UHFFFAOYSA-N 1 3 215.247 0.340 20 0 BCADHO COCC(COC)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000385010346 711002839 /nfs/dbraw/zinc/00/28/39/711002839.db2.gz XRUUXXHKVMFZTE-GHMZBOCLSA-N 1 3 230.352 0.565 20 0 BCADHO COCCOCCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000396675449 711363025 /nfs/dbraw/zinc/36/30/25/711363025.db2.gz SQCGAVCLFMYBJR-VXGBXAGGSA-N 1 3 230.352 0.770 20 0 BCADHO CN1CCC(O)(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000397536634 711383806 /nfs/dbraw/zinc/38/38/06/711383806.db2.gz JKENINDPGKYPOE-LLVKDONJSA-N 1 3 242.363 0.458 20 0 BCADHO CN1CCC[C@@H](NC(=O)CCCCC[NH3+])C1 ZINC000040673666 711483113 /nfs/dbraw/zinc/48/31/13/711483113.db2.gz UVUFYUSEOFSNRX-LLVKDONJSA-N 1 3 227.352 0.716 20 0 BCADHO CN1CCC[C@H](NC(=O)CCCCC[NH3+])C1 ZINC000040673665 711483487 /nfs/dbraw/zinc/48/34/87/711483487.db2.gz UVUFYUSEOFSNRX-NSHDSACASA-N 1 3 227.352 0.716 20 0 BCADHO C[C@@]1(CO)CCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000723032406 711496001 /nfs/dbraw/zinc/49/60/01/711496001.db2.gz LDFZTECUQOVUFR-STQMWFEESA-N 1 3 242.363 0.290 20 0 BCADHO C[C@H]1COCCC[N@@H+]1C[C@@H](O)CN1CCCC1 ZINC000382657892 711546873 /nfs/dbraw/zinc/54/68/73/711546873.db2.gz IAENEJKJQDNXSZ-STQMWFEESA-N 1 3 242.363 0.554 20 0 BCADHO C[C@H]1COCCC[N@H+]1C[C@@H](O)CN1CCCC1 ZINC000382657892 711546874 /nfs/dbraw/zinc/54/68/74/711546874.db2.gz IAENEJKJQDNXSZ-STQMWFEESA-N 1 3 242.363 0.554 20 0 BCADHO CO[C@@H]1CCOC[C@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000724874443 711622537 /nfs/dbraw/zinc/62/25/37/711622537.db2.gz VSXFRCHPFKVQAP-NNYUYHANSA-N 1 3 228.336 0.650 20 0 BCADHO C[C@@H]1C[C@H](NCCO[C@@H]2CCOC2)CC[N@@H+]1C ZINC000724934683 711631095 /nfs/dbraw/zinc/63/10/95/711631095.db2.gz DPFRHHFHQNJYLL-JHJVBQTASA-N 1 3 242.363 0.864 20 0 BCADHO C[C@@H]1C[C@H](NCCO[C@@H]2CCOC2)CC[N@H+]1C ZINC000724934683 711631098 /nfs/dbraw/zinc/63/10/98/711631098.db2.gz DPFRHHFHQNJYLL-JHJVBQTASA-N 1 3 242.363 0.864 20 0 BCADHO CC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000720904005 711686948 /nfs/dbraw/zinc/68/69/48/711686948.db2.gz WBSXLBUSQIVWNG-GHMZBOCLSA-N 1 3 225.336 0.291 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335071568 711720144 /nfs/dbraw/zinc/72/01/44/711720144.db2.gz VDHOSVCYHFYJOG-ZDUSSCGKSA-N 1 3 239.363 0.681 20 0 BCADHO C[N@H+](C[C@@H](O)CN)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695615 711756294 /nfs/dbraw/zinc/75/62/94/711756294.db2.gz GNRCNHFSSXZJLZ-MNOVXSKESA-N 1 3 244.379 0.832 20 0 BCADHO C[N@@H+](C[C@@H](O)CN)C[C@H]1CC(C)(C)OC1(C)C ZINC000709695615 711756296 /nfs/dbraw/zinc/75/62/96/711756296.db2.gz GNRCNHFSSXZJLZ-MNOVXSKESA-N 1 3 244.379 0.832 20 0 BCADHO CC1(C)CN(C(=O)c2cccc(C[NH3+])c2)CCN1 ZINC000841855887 711768326 /nfs/dbraw/zinc/76/83/26/711768326.db2.gz JINLQEPJAAWPQH-UHFFFAOYSA-N 1 3 247.342 0.969 20 0 BCADHO CC(C)N(C)CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335071567 711769849 /nfs/dbraw/zinc/76/98/49/711769849.db2.gz VDHOSVCYHFYJOG-CYBMUJFWSA-N 1 3 239.363 0.681 20 0 BCADHO CC(C)CNC(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000160054688 711805724 /nfs/dbraw/zinc/80/57/24/711805724.db2.gz JFMKNSGSWVSQHH-LLVKDONJSA-N 1 3 227.352 0.429 20 0 BCADHO [NH3+][C@H]1C[C@@H](CN2CCO[C@@H](CCF)C2)C1 ZINC000700588750 711998807 /nfs/dbraw/zinc/99/88/07/711998807.db2.gz VSKSRRMKVUERFI-AXFHLTTASA-N 1 3 216.300 0.784 20 0 BCADHO COC(=O)N(C)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000701680441 712027994 /nfs/dbraw/zinc/02/79/94/712027994.db2.gz IVFORFAZDADODN-ZJUUUORDSA-N 1 3 229.324 0.402 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000701680441 712027995 /nfs/dbraw/zinc/02/79/95/712027995.db2.gz IVFORFAZDADODN-ZJUUUORDSA-N 1 3 229.324 0.402 20 0 BCADHO COC(=O)N(C)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000701925299 712033895 /nfs/dbraw/zinc/03/38/95/712033895.db2.gz SOOLNOWZAXZELI-GHMZBOCLSA-N 1 3 243.351 0.792 20 0 BCADHO COC(=O)N(C)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000701925299 712033896 /nfs/dbraw/zinc/03/38/96/712033896.db2.gz SOOLNOWZAXZELI-GHMZBOCLSA-N 1 3 243.351 0.792 20 0 BCADHO C[C@]12C[NH2+]C[C@H]1CN(CC[C@H]1CCOC1)C2 ZINC000702097511 712039084 /nfs/dbraw/zinc/03/90/84/712039084.db2.gz NWROSCDBXGFYKK-RWMBFGLXSA-N 1 3 224.348 0.954 20 0 BCADHO CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001034975150 712102822 /nfs/dbraw/zinc/10/28/22/712102822.db2.gz NVSIYUTWJQPKHC-VXGBXAGGSA-N 1 3 241.379 0.927 20 0 BCADHO C[N@H+]1C[C@H]2CN(c3ccncc3CO)C[C@H]2C1 ZINC000705602870 712133428 /nfs/dbraw/zinc/13/34/28/712133428.db2.gz YUJJFEBDMQVUFF-TXEJJXNPSA-N 1 3 233.315 0.572 20 0 BCADHO C[N@@H+]1C[C@H]2CN(c3ccncc3CO)C[C@H]2C1 ZINC000705602870 712133430 /nfs/dbraw/zinc/13/34/30/712133430.db2.gz YUJJFEBDMQVUFF-TXEJJXNPSA-N 1 3 233.315 0.572 20 0 BCADHO C[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1CN ZINC000708120397 712182353 /nfs/dbraw/zinc/18/23/53/712182353.db2.gz LUCCYQFTMYCSNU-IJLUTSLNSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@H]1CN ZINC000708120397 712182354 /nfs/dbraw/zinc/18/23/54/712182354.db2.gz LUCCYQFTMYCSNU-IJLUTSLNSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1CN ZINC000708120396 712182361 /nfs/dbraw/zinc/18/23/61/712182361.db2.gz LUCCYQFTMYCSNU-GRYCIOLGSA-N 1 3 212.337 0.940 20 0 BCADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@H]1CN ZINC000708120396 712182362 /nfs/dbraw/zinc/18/23/62/712182362.db2.gz LUCCYQFTMYCSNU-GRYCIOLGSA-N 1 3 212.337 0.940 20 0 BCADHO CO[C@H]1C[C@@H](CN[C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000708695441 712196859 /nfs/dbraw/zinc/19/68/59/712196859.db2.gz GJXSTCCYDKYBBZ-XVZUFCMUSA-N 1 3 236.359 0.997 20 0 BCADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1N[C@@H]1CCN(C)C1)[NH2+]2 ZINC000709430418 712221656 /nfs/dbraw/zinc/22/16/56/712221656.db2.gz AJSODDFUPLXUCR-MLGHIDQZSA-N 1 3 223.364 0.809 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCN1CCOCC1)C2 ZINC000709845527 712229414 /nfs/dbraw/zinc/22/94/14/712229414.db2.gz UHPFFSAIDYNDBH-XQQFMLRXSA-N 1 3 239.363 0.130 20 0 BCADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(CCN1CCOCC1)C2 ZINC000709845525 712229429 /nfs/dbraw/zinc/22/94/29/712229429.db2.gz UHPFFSAIDYNDBH-AVGNSLFASA-N 1 3 239.363 0.130 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(CCN1CCCC1=O)C2 ZINC000709886922 712231257 /nfs/dbraw/zinc/23/12/57/712231257.db2.gz GNXUSHNRCLQEIO-TUAOUCFPSA-N 1 3 237.347 0.420 20 0 BCADHO NCC(C[NH3+])NCc1cccc2cccnc21 ZINC000710054787 712243773 /nfs/dbraw/zinc/24/37/73/712243773.db2.gz CVHMHIRFLYFGJZ-UHFFFAOYSA-N 1 3 230.315 0.610 20 0 BCADHO CC(C)Oc1cccc(CNC(CN)C[NH3+])c1 ZINC000710062032 712244035 /nfs/dbraw/zinc/24/40/35/712244035.db2.gz ONGCDHVIQQFXJD-UHFFFAOYSA-N 1 3 237.347 0.849 20 0 BCADHO C[C@@H](N(C)C[C@H](O)C[NH+]1CCCC1)C(C)(C)O ZINC000382874984 712282399 /nfs/dbraw/zinc/28/23/99/712282399.db2.gz QFVUUGYHWIZUQM-NEPJUHHUSA-N 1 3 244.379 0.534 20 0 BCADHO CN(C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000379712538 712392668 /nfs/dbraw/zinc/39/26/68/712392668.db2.gz SKSVYVNTSUJTGU-LBPRGKRZSA-N 1 3 212.337 0.785 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCN2CCCC2)C1 ZINC000713034828 712451534 /nfs/dbraw/zinc/45/15/34/712451534.db2.gz LPGPZOPGWCSOFV-DMDPSCGWSA-N 1 3 237.347 0.326 20 0 BCADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000713183926 712453915 /nfs/dbraw/zinc/45/39/15/712453915.db2.gz AVSHTCXFNBAIKX-ICUOPCATSA-N 1 3 249.358 0.467 20 0 BCADHO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)CN ZINC000714848084 712501778 /nfs/dbraw/zinc/50/17/78/712501778.db2.gz OSQDRJORONGQFM-UTUOFQBUSA-N 1 3 212.337 0.674 20 0 BCADHO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)CN ZINC000714848084 712501780 /nfs/dbraw/zinc/50/17/80/712501780.db2.gz OSQDRJORONGQFM-UTUOFQBUSA-N 1 3 212.337 0.674 20 0 BCADHO CN(CC[C@@H]1C[C@H]1C1CC1)C[C@H](O)C[NH3+] ZINC000714848084 712501781 /nfs/dbraw/zinc/50/17/81/712501781.db2.gz OSQDRJORONGQFM-UTUOFQBUSA-N 1 3 212.337 0.674 20 0 BCADHO CC[C@H](N)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000036999119 712528755 /nfs/dbraw/zinc/52/87/55/712528755.db2.gz YTODLUAVJVWCBK-QWRGUYRKSA-N 1 3 227.352 0.714 20 0 BCADHO CC1(CN[C@H]2CCCC[C@@H]2C[NH3+])OCCO1 ZINC000716792782 712573851 /nfs/dbraw/zinc/57/38/51/712573851.db2.gz JDUUUIUCQIFQCX-MNOVXSKESA-N 1 3 228.336 0.857 20 0 BCADHO C[C@@H](NC[C@H]1CC(C)(C)CO1)C1C[NH2+]C1 ZINC000717605474 712662532 /nfs/dbraw/zinc/66/25/32/712662532.db2.gz AQCPGPSKSIOGEK-MWLCHTKSSA-N 1 3 212.337 0.999 20 0 BCADHO OC[C@H](NC[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000717644507 712662804 /nfs/dbraw/zinc/66/28/04/712662804.db2.gz HBFKJCFEGIYPJV-STQMWFEESA-N 1 3 242.363 0.194 20 0 BCADHO C[C@]1(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCCNC1 ZINC000718159289 712749741 /nfs/dbraw/zinc/74/97/41/712749741.db2.gz IOYYOKLJHAJOGY-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO C[C@]1(C[N@H+]2C[C@@H]3COC[C@@H]3C2)CCCNC1 ZINC000718159289 712749743 /nfs/dbraw/zinc/74/97/43/712749743.db2.gz IOYYOKLJHAJOGY-XQQFMLRXSA-N 1 3 224.348 0.954 20 0 BCADHO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc(N)n1 ZINC000719364739 712806273 /nfs/dbraw/zinc/80/62/73/712806273.db2.gz GSOXXUXUIXEJAH-DTWKUNHWSA-N 1 3 221.308 0.872 20 0 BCADHO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc(N)n1 ZINC000719364739 712806275 /nfs/dbraw/zinc/80/62/75/712806275.db2.gz GSOXXUXUIXEJAH-DTWKUNHWSA-N 1 3 221.308 0.872 20 0 BCADHO C[C@@H]1[C@H](NC[C@H](O)C[NH+]2CCCC2)CCN1C ZINC000719640690 712818964 /nfs/dbraw/zinc/81/89/64/712818964.db2.gz KYFVFYGXQDJKKD-FRRDWIJNSA-N 1 3 241.379 0.125 20 0 BCADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000720901577 712876106 /nfs/dbraw/zinc/87/61/06/712876106.db2.gz SKBYMJGOXKRRLJ-JHJVBQTASA-N 1 3 249.358 0.729 20 0 BCADHO CC(C)[NH2+]CC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000720897467 712876519 /nfs/dbraw/zinc/87/65/19/712876519.db2.gz HSURDQRJWJVYGB-RYUDHWBXSA-N 1 3 239.363 0.680 20 0 BCADHO CNC(=O)[C@@H](C)CN(C)C[C@@H]1C[NH2+]C[C@H]1C ZINC000721063960 712889508 /nfs/dbraw/zinc/88/95/08/712889508.db2.gz QPKXUGUJSUGLLP-VWYCJHECSA-N 1 3 227.352 0.156 20 0 BCADHO